#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxr n PRO 2 N 0.00 3.51 -1.74 0.03 -0.04 -1.26 -4.78 135.00 130.72 1bxr n PRO 2 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1bxr n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bxr n PRO 2 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1bxr n LYS 3 N 0.00 2.34 -2.22 0.54 2.85 -1.26 -4.38 118.16 116.02 1bxr n LYS 3 Ca 0.00 0.82 -0.38 0.00 -1.05 0.00 0.00 58.31 57.70 1bxr n LYS 3 Cb 0.00 -2.53 -0.01 0.00 -0.65 0.00 0.00 35.03 31.84 1bxr n LYS 3 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1bxr s ARG 4 N -2.13 3.95 -0.14 -1.58 0.52 -0.19 -5.00 118.95 114.37 1bxr s ARG 4 Ca 0.56 1.90 -0.07 0.00 -0.52 0.00 0.00 55.73 57.60 1bxr s ARG 4 Cb -0.50 -2.63 -0.24 0.00 0.52 0.00 0.00 34.95 32.10 1bxr s ARG 4 CO 0.61 -0.43 0.28 -2.37 0.02 0.00 0.00 175.30 173.41 1bxr n THR 5 N -0.06 1.73 0.88 0.02 5.66 -1.26 -4.14 114.28 117.10 1bxr n THR 5 Ca 0.05 -0.59 0.06 0.00 -3.05 0.00 0.00 64.05 60.52 1bxr n THR 5 Cb 0.46 -1.73 0.38 0.00 -1.55 0.00 0.00 70.33 67.89 1bxr n THR 5 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1bxr n ASP 6 N -3.55 0.00 -4.00 1.09 5.75 -1.26 -4.50 116.55 110.08 1bxr n ASP 6 Ca -0.34 -0.48 -0.28 0.00 -0.01 0.00 0.00 54.79 53.68 1bxr n ASP 6 Cb 1.01 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.93 1bxr n ASP 6 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1bxr s ILE 7 N -2.00 1.33 -0.02 2.12 1.01 -1.26 -4.96 121.20 117.43 1bxr s ILE 7 Ca 0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 1bxr s ILE 7 Cb 0.09 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1bxr s ILE 7 CO 0.15 0.41 -0.02 0.29 0.00 0.00 0.00 174.94 175.77 1bxr n LYS 8 N 4.55 0.05 -4.48 2.79 5.02 -1.26 -4.89 118.16 119.93 1bxr n LYS 8 Ca -0.17 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 1bxr n LYS 8 Cb 0.51 -0.90 -0.12 0.00 -0.02 0.00 0.00 35.03 34.49 1bxr n LYS 8 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bxr s SER 9 N -4.48 4.65 -0.05 4.39 1.04 -1.26 0.86 113.70 118.86 1bxr s SER 9 Ca -0.03 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.28 1bxr s SER 9 Cb 0.01 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1bxr s SER 9 CO 0.04 0.18 -0.16 -0.63 0.98 0.00 0.00 173.24 173.65 1bxr s ILE 10 N 0.29 1.37 -0.33 -1.02 1.01 0.25 -1.85 121.20 120.92 1bxr s ILE 10 Ca -0.05 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 1bxr s ILE 10 Cb -0.14 -1.20 -0.00 0.00 0.01 0.00 0.00 42.46 41.13 1bxr s ILE 10 CO 0.03 0.40 0.19 -0.22 0.00 0.00 0.00 174.94 175.34 1bxr s LEU 11 N 0.20 4.34 -0.25 2.97 2.96 -0.74 0.52 118.68 128.67 1bxr s LEU 11 Ca -0.07 -0.58 -0.11 0.00 -0.22 0.00 0.00 54.13 53.15 1bxr s LEU 11 Cb -0.13 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1bxr s LEU 11 CO 0.03 -0.24 0.18 -0.63 -1.32 0.00 0.00 176.35 174.37 1bxr s ILE 12 N 1.64 5.34 -0.41 6.68 1.01 0.68 -0.03 121.20 136.11 1bxr s ILE 12 Ca 0.05 0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 1bxr s ILE 12 Cb -0.17 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1bxr s ILE 12 CO 0.08 0.32 0.96 -0.76 0.00 0.00 0.00 174.94 175.53 1bxr s LEU 13 N 1.24 3.95 1.01 2.97 1.43 -0.90 -1.97 118.68 126.41 1bxr s LEU 13 Ca 0.08 0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 53.45 1bxr s LEU 13 Cb -0.14 -3.29 0.21 0.00 0.03 0.00 0.00 46.19 43.01 1bxr s LEU 13 CO 0.06 -0.96 1.27 -0.83 0.23 0.00 0.00 176.35 176.12 1bxr s GLY 14 N 2.06 1.73 0.00 -3.19 0.00 -0.63 -3.66 107.32 103.62 1bxr s GLY 14 Ca 0.39 -1.12 0.19 0.00 0.00 0.00 0.00 44.72 44.19 1bxr s GLY 14 CO 0.22 -0.33 1.13 0.00 0.00 0.00 0.00 173.10 174.12 1bxr n ALA 15 N -3.97 2.46 0.00 3.20 0.00 -1.26 -4.25 120.51 116.68 1bxr n ALA 15 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1bxr n ALA 15 Cb 0.59 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1bxr n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 16 N 1.10 -1.92 3.76 0.00 0.00 -1.26 -4.79 105.19 102.08 1bxr n GLY 16 Ca 0.12 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1bxr n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bxr n PRO 17 N 0.00 2.16 -2.12 1.61 -0.04 -1.26 -4.58 135.00 130.77 1bxr n PRO 17 Ca 0.00 0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 63.81 1bxr n PRO 17 Cb 0.00 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 30.81 1bxr n PRO 17 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1bxr s ILE 18 N -1.21 3.23 0.22 0.52 -1.09 -1.26 -4.93 121.20 116.69 1bxr s ILE 18 Ca 0.63 0.84 0.03 0.00 -2.23 0.00 0.00 60.65 59.92 1bxr s ILE 18 Cb -0.45 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1bxr s ILE 18 CO 0.56 0.05 0.02 0.68 -1.23 0.00 0.00 174.94 175.02 1bxr s VAL 19 N 1.40 0.88 0.21 2.92 -7.23 -0.65 -2.99 120.40 114.94 1bxr s VAL 19 Ca 0.66 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.50 1bxr s VAL 19 Cb -0.37 -2.35 -0.11 0.00 0.56 0.00 0.00 36.38 34.11 1bxr s VAL 19 CO 0.30 -0.30 1.62 -0.63 -0.31 0.00 0.00 175.10 175.78 1bxr s ILE 20 N -3.53 2.30 0.00 -0.62 1.01 -1.26 -1.25 121.20 117.85 1bxr s ILE 20 Ca 0.29 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1bxr s ILE 20 Cb 0.06 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1bxr s ILE 20 CO 0.09 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1bxr n GLY 21 N 3.38 2.18 2.47 6.18 0.00 -1.26 -4.91 105.19 113.23 1bxr n GLY 21 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1bxr n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bxr s GLN 22 N -0.51 0.94 0.00 1.61 0.74 -0.38 -4.51 119.66 117.55 1bxr s GLN 22 Ca 0.00 -1.88 0.00 0.00 0.05 0.00 0.00 55.36 53.53 1bxr s GLN 22 Cb 0.00 -1.12 0.00 0.00 1.10 0.00 0.00 33.01 32.99 1bxr s GLN 22 CO 0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 175.29 173.36 1bxr n ALA 23 N 2.87 0.00 0.15 1.58 0.00 -1.24 -1.64 120.51 122.23 1bxr n ALA 23 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1bxr n ALA 23 Cb 0.50 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.27 1bxr n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr h GLU 25 N 0.00 0.40 -0.01 0.00 9.09 -1.95 -1.26 114.58 120.86 1bxr h GLU 25 Ca 0.16 -0.02 -0.22 0.00 0.05 0.00 0.00 59.36 59.33 1bxr h GLU 25 Cb 1.99 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 29.00 1bxr h GLU 25 CO -0.00 0.27 -0.92 0.74 0.05 0.00 0.00 179.01 179.15 1bxr h PHE 26 N 0.41 0.56 -0.73 2.06 0.04 -1.79 0.77 116.94 118.26 1bxr h PHE 26 Ca 0.58 -0.30 0.02 0.00 2.80 0.00 0.00 57.97 61.07 1bxr h PHE 26 Cb 1.12 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.16 1bxr h PHE 26 CO -0.12 1.11 0.47 0.22 -0.60 0.00 0.00 178.31 179.40 1bxr h ASP 27 N 0.22 0.80 -0.56 2.17 3.58 -1.54 4.07 116.42 125.15 1bxr h ASP 27 Ca -0.07 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1bxr h ASP 27 Cb 1.55 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.38 1bxr h ASP 27 CO 0.16 0.57 0.34 0.22 -2.88 0.00 0.00 179.24 177.64 1bxr h TYR 28 N 0.95 0.74 0.61 0.28 5.03 -1.02 0.87 116.97 124.43 1bxr h TYR 28 Ca 0.28 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.56 1bxr h TYR 28 Cb -0.05 -0.24 0.01 0.00 1.55 0.00 0.00 36.73 37.99 1bxr h TYR 28 CO -0.03 0.51 -0.29 0.77 -1.32 0.00 0.00 178.16 177.80 1bxr h SER 29 N 0.75 -0.69 -0.75 -2.11 0.02 0.75 -2.45 113.55 109.09 1bxr h SER 29 Ca 0.20 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 1bxr h SER 29 Cb -0.01 0.18 -0.10 0.00 0.14 0.00 0.00 62.40 62.60 1bxr h SER 29 CO -0.04 -0.40 -0.57 1.23 -1.14 0.00 0.00 176.83 175.91 1bxr h GLY 30 N -1.00 -0.94 1.34 -3.77 0.00 0.78 0.70 103.07 100.19 1bxr h GLY 30 Ca -0.08 0.77 0.08 0.00 0.00 0.00 0.00 47.33 48.10 1bxr h GLY 30 CO 0.14 -0.03 0.25 0.00 0.00 0.00 0.00 176.54 176.90 1bxr h ALA 31 N 0.25 1.99 -0.07 3.60 0.00 -0.88 -1.16 119.26 122.99 1bxr h ALA 31 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1bxr h ALA 31 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1bxr h ALA 31 CO -0.79 -0.39 -0.25 1.96 0.00 0.00 0.00 179.25 179.78 1bxr h GLN 32 N 0.00 0.30 0.15 0.00 4.20 -0.38 -2.80 115.11 116.58 1bxr h GLN 32 Ca 0.13 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1bxr h GLN 32 Cb 0.63 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1bxr h GLN 32 CO -0.00 0.86 -0.21 0.00 -0.67 0.00 0.00 178.83 178.81 1bxr h ALA 33 N 0.45 -0.37 -0.79 3.87 0.00 -0.50 0.07 119.26 121.99 1bxr h ALA 33 Ca -0.01 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1bxr h ALA 33 Cb 0.89 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 1bxr h ALA 33 CO 0.05 -0.75 0.29 0.00 0.00 0.00 0.00 179.25 178.85 1bxr h LYS 35 N 0.39 0.21 -0.11 0.00 3.64 -1.21 -2.71 116.57 116.78 1bxr h LYS 35 Ca 0.45 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1bxr h LYS 35 Cb 0.75 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1bxr h LYS 35 CO -0.46 0.91 0.03 0.00 -2.27 0.00 0.00 179.45 177.65 1bxr h ALA 36 N 1.03 0.15 0.25 5.00 0.00 0.62 -1.86 119.26 124.45 1bxr h ALA 36 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1bxr h ALA 36 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1bxr h ALA 36 CO 0.12 -0.23 -0.12 -0.07 0.00 0.00 0.00 179.25 178.96 1bxr h LEU 37 N -0.02 -0.28 -1.03 0.00 3.38 -1.16 -2.96 115.31 113.24 1bxr h LEU 37 Ca 0.04 -0.24 0.18 0.00 0.09 0.00 0.00 57.88 57.95 1bxr h LEU 37 Cb 0.25 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.97 1bxr h LEU 37 CO 0.00 0.14 0.62 -0.09 0.09 0.00 0.00 178.44 179.20 1bxr h ARG 38 N -0.78 0.77 0.00 1.13 2.43 -1.57 1.52 114.38 117.88 1bxr h ARG 38 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1bxr h ARG 38 Cb 0.51 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1bxr h ARG 38 CO 0.06 0.51 0.00 0.93 -1.51 0.00 0.00 179.97 179.95 1bxr h GLU 39 N 0.79 0.00 -0.60 0.20 5.08 -1.31 -2.21 114.58 116.54 1bxr h GLU 39 Ca 0.56 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.71 1bxr h GLU 39 Cb 0.84 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.97 1bxr h GLU 39 CO -0.36 0.00 0.20 0.39 -1.00 0.00 0.00 179.01 178.24 1bxr n GLU 40 N -2.58 2.88 -3.45 2.33 -0.58 0.52 -4.98 120.64 114.77 1bxr n GLU 40 Ca 0.00 -3.06 -0.22 0.00 -0.42 0.00 0.00 57.16 53.46 1bxr n GLU 40 Cb 0.18 -2.04 0.06 0.00 -0.57 0.00 0.00 31.44 29.06 1bxr n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bxr n GLY 41 N -0.62 -1.00 3.00 0.62 0.00 -0.83 -4.99 105.19 101.37 1bxr n GLY 41 Ca 0.38 0.48 -0.17 0.00 0.00 0.00 0.00 46.02 46.72 1bxr n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 42 N -3.44 0.65 -0.14 1.61 2.02 -1.17 -4.99 117.35 111.90 1bxr s TYR 42 Ca 0.41 -0.16 -0.29 0.00 -0.37 0.00 0.00 57.07 56.65 1bxr s TYR 42 Cb -0.09 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1bxr s TYR 42 CO 0.79 -0.02 1.27 0.50 -1.57 0.00 0.00 175.55 176.52 1bxr s ARG 43 N -0.34 4.25 -0.21 -0.62 3.52 0.25 -4.33 118.95 121.47 1bxr s ARG 43 Ca 0.01 1.69 -0.06 0.00 -0.13 0.00 0.00 55.73 57.24 1bxr s ARG 43 Cb -0.04 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 1bxr s ARG 43 CO -0.00 -0.66 0.02 0.08 -0.81 0.00 0.00 175.30 173.93 1bxr s VAL 44 N 3.26 4.11 -0.09 7.11 1.01 -1.26 0.87 120.40 135.40 1bxr s VAL 44 Ca 0.56 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1bxr s VAL 44 Cb -0.23 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1bxr s VAL 44 CO 0.17 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.83 1bxr s ILE 45 N 1.07 2.31 0.02 2.22 1.01 0.18 -1.67 121.20 126.35 1bxr s ILE 45 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1bxr s ILE 45 Cb -0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1bxr s ILE 45 CO 0.02 0.56 -0.03 -1.48 0.00 0.00 0.00 174.94 174.01 1bxr s LEU 46 N 0.19 2.17 -0.10 2.97 2.34 0.17 -0.23 118.68 126.18 1bxr s LEU 46 Ca -0.13 -0.35 0.01 0.00 0.06 0.00 0.00 54.13 53.73 1bxr s LEU 46 Cb -0.16 0.03 -0.02 0.00 -0.56 0.00 0.00 46.19 45.48 1bxr s LEU 46 CO 0.07 -0.20 -0.15 0.54 -1.06 0.00 0.00 176.35 175.56 1bxr s VAL 47 N -1.00 2.96 -0.27 1.48 0.11 -0.83 -1.58 120.40 121.26 1bxr s VAL 47 Ca -0.10 -0.72 -0.11 0.00 -2.93 0.00 0.00 61.98 58.12 1bxr s VAL 47 Cb -0.07 -2.21 0.11 0.00 -1.53 0.00 0.00 36.38 32.68 1bxr s VAL 47 CO -0.01 0.55 0.61 0.21 -3.33 0.00 0.00 175.10 173.14 1bxr s ASN 48 N 0.01 -0.93 0.51 3.54 2.47 0.06 -1.61 114.94 118.99 1bxr s ASN 48 Ca -0.05 1.44 0.30 0.00 0.42 0.00 0.00 52.86 54.97 1bxr s ASN 48 Cb -0.14 1.84 1.13 0.00 -1.45 0.00 0.00 41.25 42.62 1bxr s ASN 48 CO 0.04 -0.23 1.90 0.77 -3.72 0.00 0.00 177.10 175.87 1bxr h SER 49 N 7.71 0.00 -3.02 -4.21 4.64 -1.79 -3.30 113.55 113.57 1bxr h SER 49 Ca -0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.53 1bxr h SER 49 Cb 1.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1bxr h SER 49 CO 0.13 0.06 1.01 0.21 -0.87 0.00 0.00 176.83 177.38 1bxr s ASN 50 N -5.88 6.60 0.31 4.97 2.47 -1.26 -1.16 114.94 120.98 1bxr s ASN 50 Ca 0.02 1.35 0.16 0.00 0.42 0.00 0.00 52.86 54.81 1bxr s ASN 50 Cb 0.09 -2.54 0.29 0.00 -1.45 0.00 0.00 41.25 37.64 1bxr s ASN 50 CO 0.58 -1.12 1.55 1.55 -3.72 0.00 0.00 177.10 175.94 1bxr h PRO 51 N 9.68 0.00 0.00 0.43 0.13 -1.86 -3.25 132.00 137.13 1bxr h PRO 51 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1bxr h PRO 51 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1bxr h PRO 51 CO 1.02 0.47 0.00 0.00 -0.23 0.00 0.00 178.00 179.26 1bxr n ALA 52 N -2.25 2.30 -2.15 -0.56 0.00 -1.26 -4.52 120.51 112.07 1bxr n ALA 52 Ca 0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 1bxr n ALA 52 Cb 0.66 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1bxr n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bxr s THR 53 N -2.27 4.81 0.02 0.00 -4.23 -1.23 -4.40 115.64 108.34 1bxr s THR 53 Ca 0.30 0.53 -0.19 0.00 -1.18 0.00 0.00 61.69 61.14 1bxr s THR 53 Cb 0.16 -3.81 -0.23 0.00 1.34 0.00 0.00 72.50 69.96 1bxr s THR 53 CO 0.31 -0.76 1.11 0.40 -0.54 0.00 0.00 174.62 175.15 1bxr h ILE 54 N 0.53 1.40 -1.10 2.99 1.08 -1.92 -3.23 117.51 117.26 1bxr h ILE 54 Ca -0.47 -2.11 0.31 0.00 -0.39 0.00 0.00 64.86 62.20 1bxr h ILE 54 Cb 1.19 2.57 -0.06 0.00 -3.07 0.00 0.00 36.82 37.45 1bxr h ILE 54 CO 0.63 0.62 0.77 0.00 -0.69 0.00 0.00 178.15 179.47 1bxr h MET 55 N -0.03 0.12 -0.88 2.37 -0.00 -1.93 2.32 114.93 116.90 1bxr h MET 55 Ca -0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1bxr h MET 55 Cb 1.38 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.95 1bxr h MET 55 CO 0.13 0.08 0.00 0.25 -0.00 0.00 0.00 176.91 177.37 1bxr n THR 56 N -4.34 0.46 -2.56 -0.10 -2.24 -1.22 -4.72 114.28 99.56 1bxr n THR 56 Ca 0.25 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1bxr n THR 56 Cb 1.09 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1bxr n THR 56 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bxr s ASP 57 N -0.19 7.17 0.52 3.42 1.11 0.78 -4.87 116.67 124.61 1bxr s ASP 57 Ca 0.09 1.75 0.28 0.00 0.18 0.00 0.00 52.55 54.86 1bxr s ASP 57 Cb 0.07 -2.56 1.40 0.00 1.07 0.00 0.00 42.92 42.90 1bxr s ASP 57 CO 0.03 -0.46 1.90 1.55 1.18 0.00 0.00 175.17 179.37 1bxr h PRO 58 N 7.09 0.07 -0.26 8.23 0.13 -1.86 0.23 132.00 145.62 1bxr h PRO 58 Ca -0.36 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1bxr h PRO 58 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bxr h PRO 58 CO 0.83 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.80 1bxr n GLU 59 N -4.33 1.57 -0.08 0.86 0.00 -1.26 -3.86 120.64 113.54 1bxr n GLU 59 Ca 0.18 -0.85 -0.14 0.00 0.00 0.00 0.00 57.16 56.35 1bxr n GLU 59 Cb 0.87 -1.21 -0.14 0.00 0.00 0.00 0.00 31.44 30.96 1bxr n GLU 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1bxr n MET 60 N 0.18 0.68 -4.10 3.44 2.81 0.80 -4.99 117.12 115.94 1bxr n MET 60 Ca 0.08 0.13 -0.08 0.00 -1.81 0.00 0.00 57.70 56.02 1bxr n MET 60 Cb 0.21 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 31.03 1bxr n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1bxr s ALA 61 N -2.53 0.59 0.23 3.04 0.00 -1.25 -4.73 121.76 117.11 1bxr s ALA 61 Ca -0.18 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 1bxr s ALA 61 Cb 0.07 0.24 0.22 0.00 0.00 0.00 0.00 23.12 23.65 1bxr s ALA 61 CO 0.75 -0.33 1.74 -0.44 0.00 0.00 0.00 175.76 177.48 1bxr h ASP 62 N 3.17 0.95 -3.30 0.00 5.19 -1.68 -3.42 116.42 117.34 1bxr h ASP 62 Ca -0.34 -0.21 -0.38 0.00 -0.62 0.00 0.00 57.03 55.48 1bxr h ASP 62 Cb 1.15 -0.25 -0.39 0.00 0.18 0.00 0.00 39.33 40.02 1bxr h ASP 62 CO 0.65 0.94 -0.75 0.00 -3.12 0.00 0.00 179.24 176.96 1bxr s ALA 63 N -5.21 0.33 -0.15 3.45 0.00 -0.67 -4.98 121.76 114.54 1bxr s ALA 63 Ca -0.11 0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1bxr s ALA 63 Cb 0.15 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 1bxr s ALA 63 CO 0.83 -0.48 -0.16 0.99 0.00 0.00 0.00 175.76 176.94 1bxr s THR 64 N 2.12 2.62 -0.25 0.00 2.01 -1.26 -0.66 115.64 120.23 1bxr s THR 64 Ca 0.05 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1bxr s THR 64 Cb -0.12 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.35 1bxr s THR 64 CO -0.03 0.52 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.99 1bxr s TYR 65 N 0.75 3.13 -1.08 4.92 1.51 -0.61 -0.67 117.35 125.29 1bxr s TYR 65 Ca -0.07 -2.19 -0.12 0.00 -1.01 0.00 0.00 57.07 53.68 1bxr s TYR 65 Cb -0.16 -1.90 0.22 0.00 -0.11 0.00 0.00 41.96 40.02 1bxr s TYR 65 CO 0.01 -0.86 1.17 0.42 -1.11 0.00 0.00 175.55 175.18 1bxr s ILE 66 N 1.15 5.50 0.05 2.71 1.01 -1.26 -0.76 121.20 129.60 1bxr s ILE 66 Ca -0.07 -2.83 0.03 0.00 0.00 0.00 0.00 60.65 57.78 1bxr s ILE 66 Cb -0.19 -4.70 -0.03 0.00 0.01 0.00 0.00 42.46 37.55 1bxr s ILE 66 CO -0.06 -1.34 -0.10 -1.61 0.00 0.00 0.00 174.94 171.83 1bxr s GLU 67 N 0.29 0.63 0.14 2.79 0.41 -1.24 -4.74 118.70 116.98 1bxr s GLU 67 Ca 0.33 -0.82 -0.33 0.00 -0.41 0.00 0.00 54.97 53.73 1bxr s GLU 67 Cb -0.07 -0.49 -0.17 0.00 -1.78 0.00 0.00 34.13 31.62 1bxr s GLU 67 CO -0.06 0.10 0.98 -2.30 -0.49 0.00 0.00 175.26 173.49 1bxr n PRO 68 N 1.41 0.60 -2.72 0.39 -0.02 -1.26 -3.27 135.00 130.12 1bxr n PRO 68 Ca -0.22 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.04 1bxr n PRO 68 Cb 0.54 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1bxr n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1bxr n ILE 69 N 1.10 4.43 -4.95 4.25 5.41 -1.26 -4.67 119.36 123.68 1bxr n ILE 69 Ca 0.17 -4.77 -0.32 0.00 1.00 0.00 0.00 62.75 58.83 1bxr n ILE 69 Cb 0.21 -2.39 -0.14 0.00 -0.71 0.00 0.00 39.64 36.60 1bxr n ILE 69 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1bxr s HIS 70 N 0.37 2.67 0.42 1.39 2.46 -1.26 -5.01 115.29 116.33 1bxr s HIS 70 Ca 0.39 -0.48 0.16 0.00 0.47 0.00 0.00 55.06 55.60 1bxr s HIS 70 Cb 0.03 -1.70 1.04 0.00 -0.13 0.00 0.00 32.58 31.82 1bxr s HIS 70 CO 0.01 -0.06 1.90 0.11 -2.47 0.00 0.00 174.74 174.23 1bxr h TRP 71 N 6.01 0.52 -0.28 3.88 5.08 -1.92 1.26 115.95 130.52 1bxr h TRP 71 Ca -0.35 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.61 1bxr h TRP 71 Cb 1.18 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 27.16 1bxr h TRP 71 CO 0.48 0.19 0.09 0.93 -1.28 0.00 0.00 178.44 178.85 1bxr h GLU 72 N 0.44 0.43 -0.34 0.12 5.08 -1.97 0.61 114.58 118.94 1bxr h GLU 72 Ca 0.40 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1bxr h GLU 72 Cb 0.91 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1bxr h GLU 72 CO -0.14 0.48 -0.06 0.28 -1.00 0.00 0.00 179.01 178.57 1bxr h VAL 73 N 0.29 1.27 0.00 3.13 2.07 -1.19 -2.10 116.25 119.72 1bxr h VAL 73 Ca 0.09 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1bxr h VAL 73 Cb 0.22 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1bxr h VAL 73 CO -0.00 0.36 -0.16 0.58 0.02 0.00 0.00 177.57 178.37 1bxr h VAL 74 N 0.43 0.83 0.74 2.57 2.07 0.17 -2.27 116.25 120.80 1bxr h VAL 74 Ca 0.09 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1bxr h VAL 74 Cb 0.54 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1bxr h VAL 74 CO 0.03 0.15 -0.41 -0.09 0.02 0.00 0.00 177.57 177.27 1bxr h ARG 75 N 0.00 -1.03 -0.36 1.57 2.43 0.88 -1.75 114.38 116.12 1bxr h ARG 75 Ca -0.00 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.34 1bxr h ARG 75 Cb 0.34 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1bxr h ARG 75 CO 0.02 -0.69 0.46 0.87 -1.51 0.00 0.00 179.97 179.12 1bxr h LYS 76 N -1.07 0.00 0.03 0.20 1.57 -0.89 0.16 116.57 116.58 1bxr h LYS 76 Ca -0.10 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 1bxr h LYS 76 Cb 0.85 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.17 1bxr h LYS 76 CO 0.12 0.00 -0.71 0.82 -0.57 0.00 0.00 179.45 179.11 1bxr h ILE 77 N 0.00 1.42 0.33 1.86 2.04 -0.88 -2.22 117.51 120.07 1bxr h ILE 77 Ca 0.17 -2.19 -0.01 0.00 1.00 0.00 0.00 64.86 63.82 1bxr h ILE 77 Cb 1.09 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 1bxr h ILE 77 CO -0.00 0.64 -0.18 0.40 0.00 0.00 0.00 178.15 179.01 1bxr h ILE 78 N -0.09 0.64 -1.07 -0.67 2.04 -0.11 0.38 117.51 118.63 1bxr h ILE 78 Ca -0.10 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.05 1bxr h ILE 78 Cb 1.44 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 38.05 1bxr h ILE 78 CO 0.14 0.00 0.68 -0.08 0.00 0.00 0.00 178.15 178.88 1bxr h GLU 79 N -0.47 0.37 0.00 2.37 4.81 -0.86 0.34 114.58 121.13 1bxr h GLU 79 Ca -0.04 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1bxr h GLU 79 Cb 0.37 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1bxr h GLU 79 CO 0.06 0.24 -1.40 1.17 -0.73 0.00 0.00 179.01 178.36 1bxr n LYS 80 N -4.69 0.63 -0.00 1.92 4.81 -0.73 -4.42 118.16 115.67 1bxr n LYS 80 Ca 0.27 0.05 0.06 0.00 -0.87 0.00 0.00 58.31 57.82 1bxr n LYS 80 Cb 0.93 -1.73 -0.07 0.00 0.02 0.00 0.00 35.03 34.18 1bxr n LYS 80 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1bxr n GLU 81 N -2.61 2.62 -3.84 1.64 -0.58 0.13 -5.01 120.64 112.98 1bxr n GLU 81 Ca -0.04 -0.02 -0.32 0.00 -0.42 0.00 0.00 57.16 56.36 1bxr n GLU 81 Cb 0.64 -1.10 0.01 0.00 -0.57 0.00 0.00 31.44 30.42 1bxr n GLU 81 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bxr n ARG 82 N -1.40 -1.04 -2.56 3.49 5.12 0.11 -4.91 116.66 115.47 1bxr n ARG 82 Ca 0.01 0.53 -0.34 0.00 -1.93 0.00 0.00 57.85 56.13 1bxr n ARG 82 Cb 0.21 -2.75 -0.04 0.00 -1.16 0.00 0.00 32.46 28.72 1bxr n ARG 82 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1bxr s PRO 83 N -5.81 3.85 -0.10 5.56 0.01 -1.26 -4.95 135.00 132.31 1bxr s PRO 83 Ca 0.22 1.30 -0.03 0.00 0.01 0.00 0.00 61.00 62.50 1bxr s PRO 83 Cb -0.11 -2.11 -0.01 0.00 0.01 0.00 0.00 34.50 32.28 1bxr s PRO 83 CO 0.91 -0.38 -0.05 -0.44 0.01 0.00 0.00 177.00 177.05 1bxr h ASP 84 N 1.54 0.00 -1.76 2.53 3.32 -1.72 -3.39 116.42 116.94 1bxr h ASP 84 Ca -0.49 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 55.98 1bxr h ASP 84 Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 1bxr h ASP 84 CO 0.59 0.51 -0.55 0.00 -1.72 0.00 0.00 179.24 178.07 1bxr s ALA 85 N -2.66 3.40 -0.04 3.45 0.00 -0.77 0.16 121.76 125.29 1bxr s ALA 85 Ca -0.04 -2.03 0.01 0.00 0.00 0.00 0.00 51.96 49.90 1bxr s ALA 85 Cb 0.01 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1bxr s ALA 85 CO 0.06 -0.05 -0.03 0.54 0.00 0.00 0.00 175.76 176.28 1bxr s VAL 86 N -2.55 0.46 -0.41 0.00 0.11 0.87 -1.80 120.40 117.09 1bxr s VAL 86 Ca 0.38 -0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.27 1bxr s VAL 86 Cb 0.02 -0.50 0.08 0.00 -1.53 0.00 0.00 36.38 34.44 1bxr s VAL 86 CO 0.21 0.21 0.23 -0.22 -3.33 0.00 0.00 175.10 172.20 1bxr s LEU 87 N 0.97 5.03 0.00 2.54 2.96 0.96 -1.67 118.68 129.46 1bxr s LEU 87 Ca -0.10 -1.52 0.18 0.00 -0.22 0.00 0.00 54.13 52.47 1bxr s LEU 87 Cb -0.14 -1.95 0.42 0.00 0.50 0.00 0.00 46.19 45.02 1bxr s LEU 87 CO -0.00 -0.51 1.34 -0.81 -1.32 0.00 0.00 176.35 175.05 1bxr n PRO 88 N 4.86 2.48 -0.17 0.98 -0.04 -1.26 -2.11 135.00 139.74 1bxr n PRO 88 Ca -0.10 -2.22 0.11 0.00 -0.04 0.00 0.00 63.50 61.25 1bxr n PRO 88 Cb 0.43 -1.43 0.28 0.00 -0.04 0.00 0.00 33.50 32.74 1bxr n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1bxr n THR 89 N 1.17 0.44 -1.30 0.52 -2.24 -1.26 -3.36 114.28 108.25 1bxr n THR 89 Ca 0.17 -0.59 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1bxr n THR 89 Cb 0.53 0.61 0.20 0.00 -2.10 0.00 0.00 70.33 69.57 1bxr n THR 89 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1bxr n MET 90 N 0.95 1.91 -1.16 -0.78 2.81 -1.26 -2.26 117.12 117.34 1bxr n MET 90 Ca 0.18 -3.00 0.03 0.00 -1.81 0.00 0.00 57.70 53.10 1bxr n MET 90 Cb 0.47 -1.72 0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1bxr n MET 90 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bxr n GLY 91 N -1.05 1.20 7.00 3.03 0.00 -1.24 -3.70 105.19 110.43 1bxr n GLY 91 Ca 0.24 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1bxr n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 92 N 0.23 0.94 0.27 -0.02 0.00 -1.26 -2.36 105.19 102.99 1bxr n GLY 92 Ca 0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 1bxr n GLY 92 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1bxr h GLN 93 N 0.00 0.67 -0.65 1.61 5.75 -1.95 -2.49 115.11 118.06 1bxr h GLN 93 Ca 0.00 -0.20 0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1bxr h GLN 93 Cb 0.00 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 1bxr h GLN 93 CO 0.00 0.75 0.35 1.15 -2.65 0.00 0.00 178.83 178.44 1bxr h THR 94 N 0.61 0.96 -0.10 2.39 2.02 -1.86 0.22 112.91 117.15 1bxr h THR 94 Ca 0.11 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1bxr h THR 94 Cb 0.52 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1bxr h THR 94 CO 0.03 0.12 -0.15 0.00 0.37 0.00 0.00 175.52 175.89 1bxr h ALA 95 N 1.34 0.16 -0.44 6.16 0.00 -1.29 -0.36 119.26 124.83 1bxr h ALA 95 Ca 0.29 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bxr h ALA 95 Cb 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1bxr h ALA 95 CO -0.18 0.05 0.26 -0.07 0.00 0.00 0.00 179.25 179.31 1bxr h LEU 96 N -0.14 0.43 -1.08 0.00 3.38 -1.21 0.13 115.31 116.82 1bxr h LEU 96 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1bxr h LEU 96 Cb 0.71 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1bxr h LEU 96 CO 0.04 0.31 0.18 0.78 0.09 0.00 0.00 178.44 179.83 1bxr h ASN 97 N 0.53 0.77 -0.05 -0.43 4.21 -0.55 -0.94 115.58 119.12 1bxr h ASN 97 Ca 0.17 -0.12 -0.19 0.00 1.21 0.00 0.00 56.30 57.38 1bxr h ASN 97 Cb 0.00 -0.20 0.01 0.00 -1.12 0.00 0.00 38.32 37.02 1bxr h ASN 97 CO -0.08 0.72 -0.72 0.00 -1.29 0.00 0.00 177.43 176.07 1bxr h ALA 99 N 0.41 1.58 -0.03 0.00 0.00 -0.54 0.11 119.26 120.79 1bxr h ALA 99 Ca -0.08 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1bxr h ALA 99 Cb 1.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1bxr h ALA 99 CO 0.14 0.20 -0.67 -0.07 0.00 0.00 0.00 179.25 178.85 1bxr h LEU 100 N 0.94 0.15 0.00 0.00 4.07 -1.13 -2.23 115.31 117.12 1bxr h LEU 100 Ca 0.46 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.30 1bxr h LEU 100 Cb 0.47 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 1bxr h LEU 100 CO -0.22 0.77 -0.27 -0.08 -1.08 0.00 0.00 178.44 177.56 1bxr h GLU 101 N 0.09 0.00 -0.19 1.13 4.57 -0.59 0.15 114.58 119.74 1bxr h GLU 101 Ca -0.01 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.99 1bxr h GLU 101 Cb 1.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1bxr h GLU 101 CO 0.10 0.11 -0.57 -0.07 -1.18 0.00 0.00 179.01 177.39 1bxr h LEU 102 N 0.00 0.83 0.27 1.64 3.38 -0.73 -1.20 115.31 119.51 1bxr h LEU 102 Ca -0.01 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1bxr h LEU 102 Cb 1.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1bxr h LEU 102 CO 0.01 1.28 -0.13 -0.08 0.09 0.00 0.00 178.44 179.61 1bxr h GLU 103 N 0.43 -0.35 -0.36 1.13 4.57 -1.31 0.40 114.58 119.10 1bxr h GLU 103 Ca -0.02 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1bxr h GLU 103 Cb 1.20 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.78 1bxr h GLU 103 CO 0.12 -0.15 -0.27 -0.09 -1.18 0.00 0.00 179.01 177.45 1bxr h ARG 104 N -0.49 -0.21 0.00 1.92 2.43 -0.68 -0.17 114.38 117.19 1bxr h ARG 104 Ca -0.04 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1bxr h ARG 104 Cb 0.36 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1bxr h ARG 104 CO 0.06 -0.14 0.00 0.94 -1.51 0.00 0.00 179.97 179.32 1bxr n GLN 105 N -5.40 0.69 -1.61 0.20 -0.06 -0.46 -4.84 117.38 105.89 1bxr n GLN 105 Ca 0.01 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.81 1bxr n GLN 105 Cb 0.31 -1.05 -0.08 0.00 -4.06 0.00 0.00 30.24 25.36 1bxr n GLN 105 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bxr n GLY 106 N 0.21 1.83 0.15 1.69 0.00 -0.08 -4.84 105.19 104.15 1bxr n GLY 106 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1bxr n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bxr h VAL 107 N 0.00 1.42 0.00 1.61 2.07 -1.14 0.80 116.25 121.01 1bxr h VAL 107 Ca -0.41 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.04 1bxr h VAL 107 Cb 1.31 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1bxr h VAL 107 CO 0.60 0.60 -0.00 -0.07 0.02 0.00 0.00 177.57 178.72 1bxr h LEU 108 N 0.07 -0.00 -0.01 2.57 3.38 -1.84 -2.99 115.31 116.49 1bxr h LEU 108 Ca -0.01 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.46 1bxr h LEU 108 Cb 1.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 1bxr h LEU 108 CO 0.09 0.53 -0.44 -0.08 0.09 0.00 0.00 178.44 178.63 1bxr h GLU 109 N -0.54 -0.57 -1.09 1.13 4.57 -1.84 -0.65 114.58 115.60 1bxr h GLU 109 Ca -0.00 0.04 0.42 0.00 -1.18 0.00 0.00 59.36 58.64 1bxr h GLU 109 Cb 0.53 0.13 -0.17 0.00 -0.16 0.00 0.00 28.75 29.09 1bxr h GLU 109 CO 0.00 -0.38 0.63 1.49 -1.18 0.00 0.00 179.01 179.57 1bxr h GLU 110 N -0.59 0.03 -0.06 1.92 4.81 -0.82 -1.91 114.58 117.97 1bxr h GLU 110 Ca 0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1bxr h GLU 110 Cb 0.66 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1bxr h GLU 110 CO -0.33 0.02 0.00 1.19 -0.73 0.00 0.00 179.01 179.17 1bxr n PHE 111 N -5.11 0.07 -1.61 0.92 3.01 -0.83 -5.01 117.46 108.91 1bxr n PHE 111 Ca 0.38 -0.09 -0.03 0.00 1.01 0.00 0.00 57.45 58.72 1bxr n PHE 111 Cb 1.33 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 40.78 1bxr n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bxr n GLY 112 N 0.51 0.42 3.64 1.37 0.00 -0.31 -4.93 105.19 105.89 1bxr n GLY 112 Ca 0.06 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1bxr n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 113 N -2.14 4.30 0.07 1.61 1.01 -0.97 -4.83 120.40 119.45 1bxr s VAL 113 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1bxr s VAL 113 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1bxr s VAL 113 CO 0.00 -0.42 1.02 -0.89 0.00 0.00 0.00 175.10 174.81 1bxr s THR 114 N 3.97 4.51 -0.33 3.92 2.01 0.41 -4.73 115.64 125.41 1bxr s THR 114 Ca 0.52 1.93 -0.22 0.00 0.31 0.00 0.00 61.69 64.24 1bxr s THR 114 Cb -0.16 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.11 1bxr s THR 114 CO 0.19 0.22 0.70 -0.32 -0.69 0.00 0.00 174.62 174.72 1bxr s MET 115 N 0.51 3.84 0.48 4.92 1.75 -1.26 -0.09 119.30 129.45 1bxr s MET 115 Ca 0.51 0.32 0.05 0.00 -1.25 0.00 0.00 55.69 55.32 1bxr s MET 115 Cb -0.24 -3.76 -0.02 0.00 2.84 0.00 0.00 34.83 33.65 1bxr s MET 115 CO 0.30 -0.69 0.17 0.96 -0.65 0.00 0.00 175.02 175.10 1bxr s ILE 116 N 2.82 1.71 0.00 10.11 -4.36 -0.67 -4.66 121.20 126.15 1bxr s ILE 116 Ca 0.28 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1bxr s ILE 116 Cb -0.14 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1bxr s ILE 116 CO 0.14 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.93 1bxr n GLY 117 N -1.38 1.86 3.29 6.27 0.00 -1.26 -4.33 105.19 109.64 1bxr n GLY 117 Ca -0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1bxr n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 118 N 0.00 -0.99 0.70 4.61 0.00 -1.26 -3.74 121.76 121.08 1bxr s ALA 118 Ca 0.00 1.14 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 1bxr s ALA 118 Cb 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.50 1bxr s ALA 118 CO 0.00 -0.19 1.05 0.95 0.00 0.00 0.00 175.76 177.57 1bxr s THR 119 N 0.24 2.89 -0.14 0.00 -4.23 -1.26 -4.91 115.64 108.23 1bxr s THR 119 Ca -0.00 0.08 0.29 0.00 -1.18 0.00 0.00 61.69 60.88 1bxr s THR 119 Cb -0.03 -3.25 0.37 0.00 1.34 0.00 0.00 72.50 70.93 1bxr s THR 119 CO 0.00 -0.30 1.82 0.00 -0.54 0.00 0.00 174.62 175.61 1bxr h ALA 120 N -0.63 1.00 0.15 3.99 0.00 -1.98 -2.16 119.26 119.64 1bxr h ALA 120 Ca -0.45 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 1bxr h ALA 120 Cb 1.29 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.09 1bxr h ALA 120 CO 0.63 0.00 -1.16 0.22 0.00 0.00 0.00 179.25 178.94 1bxr h ASP 121 N 0.00 0.50 -0.06 0.00 3.58 -1.95 -2.79 116.42 115.70 1bxr h ASP 121 Ca 0.00 -0.91 0.04 0.00 0.42 0.00 0.00 57.03 56.58 1bxr h ASP 121 Cb 0.72 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 1bxr h ASP 121 CO 0.00 1.54 -0.32 0.00 -2.88 0.00 0.00 179.24 177.57 1bxr h ALA 122 N 0.05 -0.43 -0.40 -0.78 0.00 -1.70 0.70 119.26 116.70 1bxr h ALA 122 Ca -0.22 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1bxr h ALA 122 Cb 1.78 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 20.07 1bxr h ALA 122 CO 0.14 -0.82 -0.38 0.82 0.00 0.00 0.00 179.25 179.01 1bxr h ILE 123 N -0.44 0.17 -0.35 0.00 2.04 -1.50 0.33 117.51 117.76 1bxr h ILE 123 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1bxr h ILE 123 Cb 0.56 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1bxr h ILE 123 CO -0.31 0.00 0.15 -0.78 0.00 0.00 0.00 178.15 177.21 1bxr h ASP 124 N -0.29 0.43 -0.35 1.72 3.58 -1.10 0.86 116.42 121.27 1bxr h ASP 124 Ca 0.16 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1bxr h ASP 124 Cb 0.56 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1bxr h ASP 124 CO -0.56 0.39 0.20 0.50 -2.88 0.00 0.00 179.24 176.89 1bxr h LYS 125 N 0.49 0.53 0.03 0.28 3.64 0.43 0.52 116.57 122.49 1bxr h LYS 125 Ca 0.12 -0.05 -0.36 0.00 -1.27 0.00 0.00 60.65 59.09 1bxr h LYS 125 Cb 0.09 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1bxr h LYS 125 CO -0.01 0.40 -2.03 0.00 -2.27 0.00 0.00 179.45 175.54 1bxr n ALA 126 N -2.48 1.05 0.23 5.00 0.00 -0.38 -2.73 120.51 121.19 1bxr n ALA 126 Ca 0.03 -0.80 0.06 0.00 0.00 0.00 0.00 53.44 52.72 1bxr n ALA 126 Cb 0.11 -0.33 0.51 0.00 0.00 0.00 0.00 19.45 19.74 1bxr n ALA 126 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bxr h GLU 127 N -0.50 0.00 -6.04 0.00 4.39 0.76 -3.40 114.58 109.80 1bxr h GLU 127 Ca -0.51 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.61 1bxr h GLU 127 Cb 1.71 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.29 1bxr h GLU 127 CO -0.16 0.18 0.71 0.34 -1.16 0.00 0.00 179.01 178.92 1bxr s ASP 128 N -6.99 7.06 0.08 1.42 -1.08 0.18 -2.70 116.67 114.65 1bxr s ASP 128 Ca -0.04 1.33 -0.25 0.00 -0.52 0.00 0.00 52.55 53.07 1bxr s ASP 128 Cb 0.16 -2.52 -0.16 0.00 -1.46 0.00 0.00 42.92 38.94 1bxr s ASP 128 CO 0.69 -0.62 1.70 0.03 0.52 0.00 0.00 175.17 177.49 1bxr h ARG 129 N 7.46 -0.14 0.27 4.34 2.47 -1.86 -1.09 114.38 125.82 1bxr h ARG 129 Ca -0.21 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1bxr h ARG 129 Cb 1.07 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 1bxr h ARG 129 CO 0.95 -0.07 -0.28 -0.09 0.56 0.00 0.00 179.97 181.04 1bxr h ARG 130 N -0.17 -0.56 -0.11 0.04 2.43 -1.93 -0.19 114.38 113.88 1bxr h ARG 130 Ca -0.01 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1bxr h ARG 130 Cb 0.13 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 1bxr h ARG 130 CO 0.02 -0.37 -0.40 0.00 -1.51 0.00 0.00 179.97 177.71 1bxr h ARG 131 N -0.58 -0.46 -0.49 0.20 3.08 -1.85 0.67 114.38 114.94 1bxr h ARG 131 Ca -0.01 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.17 1bxr h ARG 131 Cb 0.54 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.60 1bxr h ARG 131 CO -0.06 -0.31 -0.18 0.35 -1.07 0.00 0.00 179.97 178.70 1bxr h PHE 132 N -0.48 -0.44 -0.94 3.04 3.57 -0.90 0.29 116.94 121.09 1bxr h PHE 132 Ca 0.08 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1bxr h PHE 132 Cb 0.61 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1bxr h PHE 132 CO -0.46 -0.27 0.61 0.22 -2.23 0.00 0.00 178.31 176.18 1bxr h ASP 133 N -0.07 0.99 -0.43 0.41 1.82 -0.45 -1.04 116.42 117.65 1bxr h ASP 133 Ca 0.23 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.83 1bxr h ASP 133 Cb 0.43 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 1bxr h ASP 133 CO -0.54 0.66 0.09 0.58 -1.61 0.00 0.00 179.24 178.41 1bxr h VAL 134 N 1.14 1.24 -0.76 2.25 2.07 0.98 -2.48 116.25 120.68 1bxr h VAL 134 Ca 0.39 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1bxr h VAL 134 Cb 0.09 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1bxr h VAL 134 CO -0.13 0.29 0.49 0.00 0.02 0.00 0.00 177.57 178.25 1bxr h ALA 135 N 0.95 0.99 0.16 1.67 0.00 0.16 -1.80 119.26 121.38 1bxr h ALA 135 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1bxr h ALA 135 Cb 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1bxr h ALA 135 CO 0.00 0.33 -0.34 0.52 0.00 0.00 0.00 179.25 179.76 1bxr h MET 136 N 0.99 -0.57 -0.88 0.00 2.07 -1.03 -0.54 114.93 114.96 1bxr h MET 136 Ca 0.30 0.04 0.08 0.00 -2.07 0.00 0.00 59.70 58.04 1bxr h MET 136 Cb -0.04 0.13 -0.07 0.00 -1.87 0.00 0.00 31.60 29.75 1bxr h MET 136 CO -0.09 -0.38 0.54 -0.22 1.07 0.00 0.00 176.91 177.83 1bxr h LYS 137 N -0.59 0.92 -0.46 1.72 1.63 -1.28 0.29 116.57 118.80 1bxr h LYS 137 Ca 0.02 -0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1bxr h LYS 137 Cb 0.61 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 1bxr h LYS 137 CO -0.18 0.61 0.30 -0.22 -3.45 0.00 0.00 179.45 176.51 1bxr h LYS 138 N 0.95 0.59 -0.65 1.90 3.64 -0.32 -0.91 116.57 121.76 1bxr h LYS 138 Ca 0.40 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1bxr h LYS 138 Cb 0.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1bxr h LYS 138 CO -0.20 0.39 0.00 0.44 -2.27 0.00 0.00 179.45 177.81 1bxr n ILE 139 N -4.47 1.21 -1.63 2.00 -5.35 -0.34 -4.95 119.36 105.83 1bxr n ILE 139 Ca 0.04 -0.96 -0.13 0.00 -0.27 0.00 0.00 62.75 61.44 1bxr n ILE 139 Cb 0.06 0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 38.21 1bxr n ILE 139 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bxr n GLY 140 N 1.34 0.89 3.91 3.28 0.00 -0.35 -5.02 105.19 109.25 1bxr n GLY 140 Ca 0.23 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1bxr n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 141 N -3.07 4.04 -0.05 0.99 1.43 -0.02 -4.97 118.68 117.03 1bxr s LEU 141 Ca 0.00 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1bxr s LEU 141 Cb 0.00 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1bxr s LEU 141 CO 0.00 -0.22 0.15 -0.70 0.23 0.00 0.00 176.35 175.81 1bxr s GLU 142 N -3.72 3.37 0.26 1.70 2.12 -1.26 -3.97 118.70 117.20 1bxr s GLU 142 Ca 0.43 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.51 1bxr s GLU 142 Cb -0.10 -3.08 -0.06 0.00 0.26 0.00 0.00 34.13 31.15 1bxr s GLU 142 CO 0.32 0.71 0.03 0.95 -0.54 0.00 0.00 175.26 176.72 1bxr s THR 143 N -1.18 1.03 0.09 -1.70 -4.23 -1.26 0.14 115.64 108.53 1bxr s THR 143 Ca 0.22 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.40 1bxr s THR 143 Cb -0.12 -2.52 -0.06 0.00 1.34 0.00 0.00 72.50 71.14 1bxr s THR 143 CO 0.12 -0.18 1.08 0.00 -0.54 0.00 0.00 174.62 175.09 1bxr s ALA 144 N -3.42 3.31 -0.67 3.99 0.00 -1.26 -4.89 121.76 118.81 1bxr s ALA 144 Ca 0.32 0.72 -0.39 0.00 0.00 0.00 0.00 51.96 52.61 1bxr s ALA 144 Cb 0.07 -3.36 -0.20 0.00 0.00 0.00 0.00 23.12 19.63 1bxr s ALA 144 CO 0.12 -0.24 2.31 -2.13 0.00 0.00 0.00 175.76 175.82 1bxr n ARG 145 N 3.21 0.00 0.00 0.00 0.63 -1.26 -4.66 116.66 114.58 1bxr n ARG 145 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1bxr n ARG 145 Cb 0.48 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.91 1bxr n ARG 145 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1bxr n SER 146 N 8.48 0.76 0.00 6.15 3.41 -1.26 -0.84 113.62 130.33 1bxr n SER 146 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1bxr n SER 146 Cb -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1bxr n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bxr n GLY 147 N 2.77 1.43 3.66 5.00 0.00 -1.00 -4.96 105.19 112.10 1bxr n GLY 147 Ca 0.00 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1bxr n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 148 N -2.00 4.03 -0.04 -0.61 -1.09 -1.26 -1.23 121.20 119.00 1bxr s ILE 148 Ca 0.00 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 1bxr s ILE 148 Cb 0.00 -2.80 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1bxr s ILE 148 CO 0.00 0.35 -0.09 0.00 -1.23 0.00 0.00 174.94 173.97 1bxr s ALA 149 N -1.09 0.94 -0.23 9.38 0.00 -0.78 -4.85 121.76 125.12 1bxr s ALA 149 Ca 0.20 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.91 1bxr s ALA 149 Cb -0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 1bxr s ALA 149 CO 0.11 0.11 0.22 0.72 0.00 0.00 0.00 175.76 176.92 1bxr n HIS 150 N 3.55 0.00 -4.36 0.00 8.25 -1.26 -1.73 115.22 119.67 1bxr n HIS 150 Ca -0.21 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.04 1bxr n HIS 150 Cb 0.53 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.54 1bxr n HIS 150 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1bxr s THR 151 N -1.65 0.21 0.02 1.59 -4.23 -1.26 -4.89 115.64 105.43 1bxr s THR 151 Ca 0.02 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.36 1bxr s THR 151 Cb 0.04 -2.44 -0.33 0.00 1.34 0.00 0.00 72.50 71.11 1bxr s THR 151 CO 0.23 0.00 1.02 -0.03 -0.54 0.00 0.00 174.62 175.30 1bxr h MET 152 N 2.05 0.53 -0.48 3.99 4.05 -1.96 -1.20 114.93 121.91 1bxr h MET 152 Ca -0.29 -0.84 0.00 0.00 -0.28 0.00 0.00 59.70 58.29 1bxr h MET 152 Cb 1.25 0.30 -0.02 0.00 -0.80 0.00 0.00 31.60 32.33 1bxr h MET 152 CO 0.45 1.39 0.30 1.49 0.23 0.00 0.00 176.91 180.78 1bxr h GLU 153 N 0.11 0.64 0.12 0.39 4.81 -1.99 0.10 114.58 118.76 1bxr h GLU 153 Ca -0.22 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 58.70 1bxr h GLU 153 Cb 2.01 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.25 1bxr h GLU 153 CO 0.25 0.44 -1.22 0.93 -0.73 0.00 0.00 179.01 178.68 1bxr h GLU 154 N 0.66 0.25 -0.10 1.92 5.08 -1.96 -2.81 114.58 117.62 1bxr h GLU 154 Ca 0.18 -0.43 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 1bxr h GLU 154 Cb -0.05 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1bxr h GLU 154 CO -0.04 1.20 -0.59 0.00 -1.00 0.00 0.00 179.01 178.59 1bxr h ALA 155 N 0.62 0.81 -0.49 3.43 0.00 -0.55 -2.80 119.26 120.28 1bxr h ALA 155 Ca -0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1bxr h ALA 155 Cb 1.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1bxr h ALA 155 CO 0.20 0.71 0.22 -0.07 0.00 0.00 0.00 179.25 180.31 1bxr h LEU 156 N 0.25 0.65 -1.12 0.00 3.38 -0.80 -1.75 115.31 115.91 1bxr h LEU 156 Ca -0.00 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1bxr h LEU 156 Cb 1.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1bxr h LEU 156 CO 0.10 0.61 -0.42 0.00 0.09 0.00 0.00 178.44 178.82 1bxr h ALA 157 N 1.07 1.27 0.00 1.53 0.00 -1.45 -0.52 119.26 121.15 1bxr h ALA 157 Ca 0.17 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1bxr h ALA 157 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bxr h ALA 157 CO -0.02 0.54 -0.78 0.28 0.00 0.00 0.00 179.25 179.26 1bxr h VAL 158 N 0.04 1.46 -0.17 0.00 2.07 -1.21 -2.97 116.25 115.48 1bxr h VAL 158 Ca 0.00 -2.78 -0.14 0.00 0.82 0.00 0.00 66.70 64.60 1bxr h VAL 158 Cb 0.75 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1bxr h VAL 158 CO 0.06 0.77 -0.46 0.00 0.02 0.00 0.00 177.57 177.96 1bxr h ALA 159 N 1.22 0.28 0.00 1.67 0.00 -1.14 -1.19 119.26 120.09 1bxr h ALA 159 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bxr h ALA 159 Cb 1.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1bxr h ALA 159 CO 0.10 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1bxr n ALA 160 N -2.53 1.54 -0.46 0.00 0.00 -0.22 -1.75 120.51 117.09 1bxr n ALA 160 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1bxr n ALA 160 Cb 0.57 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1bxr n ALA 160 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bxr n ASP 161 N -1.33 0.00 -0.32 0.00 2.03 -0.84 -4.70 116.55 111.39 1bxr n ASP 161 Ca 0.04 0.06 0.08 0.00 0.52 0.00 0.00 54.79 55.48 1bxr n ASP 161 Cb 0.08 -0.27 0.28 0.00 -0.72 0.00 0.00 41.12 40.49 1bxr n ASP 161 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1bxr h VAL 162 N 0.00 0.93 0.00 5.18 -1.51 -1.28 -3.49 116.25 116.08 1bxr h VAL 162 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1bxr h VAL 162 Cb 0.00 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.10 1bxr h VAL 162 CO 0.00 0.17 0.00 0.61 -1.23 0.00 0.00 177.57 177.12 1bxr n GLY 163 N -1.39 -0.61 3.89 5.19 0.00 -0.72 -4.81 105.19 106.75 1bxr n GLY 163 Ca 0.17 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1bxr n GLY 163 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bxr s PHE 164 N -1.85 3.58 0.54 1.61 0.08 -1.26 -3.34 117.98 117.34 1bxr s PHE 164 Ca 0.00 0.50 -0.14 0.00 0.12 0.00 0.00 56.93 57.41 1bxr s PHE 164 Cb 0.00 -1.93 -0.06 0.00 -0.57 0.00 0.00 43.02 40.46 1bxr s PHE 164 CO 0.00 0.65 0.98 -1.25 -0.10 0.00 0.00 175.22 175.50 1bxr s PRO 165 N -1.68 3.79 0.07 0.24 0.04 -1.26 -5.01 135.00 131.20 1bxr s PRO 165 Ca 0.25 0.81 0.03 0.00 0.04 0.00 0.00 61.00 62.13 1bxr s PRO 165 Cb -0.13 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1bxr s PRO 165 CO 0.15 -0.36 -0.09 0.00 0.04 0.00 0.00 177.00 176.74 1bxr s ILE 167 N -2.01 3.82 -0.10 0.00 1.09 -0.24 -1.02 121.20 122.73 1bxr s ILE 167 Ca -0.01 -0.61 -0.22 0.00 -1.10 0.00 0.00 60.65 58.71 1bxr s ILE 167 Cb -0.06 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 1bxr s ILE 167 CO -0.00 0.19 0.63 -0.63 -0.10 0.00 0.00 174.94 175.03 1bxr s ILE 168 N 1.50 5.08 -0.25 2.92 1.01 -0.72 0.32 121.20 131.06 1bxr s ILE 168 Ca 0.03 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.94 1bxr s ILE 168 Cb -0.16 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.45 1bxr s ILE 168 CO 0.01 0.25 0.26 -0.13 0.00 0.00 0.00 174.94 175.33 1bxr s ARG 169 N 0.93 0.26 0.70 2.79 0.52 -0.79 -2.94 118.95 120.41 1bxr s ARG 169 Ca 0.33 0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.48 1bxr s ARG 169 Cb -0.17 -0.93 0.01 0.00 0.52 0.00 0.00 34.95 34.38 1bxr s ARG 169 CO 0.15 -0.82 1.06 -1.25 0.02 0.00 0.00 175.30 174.46 1bxr s PRO 170 N 2.34 2.92 0.29 3.54 0.05 -1.26 0.12 135.00 143.00 1bxr s PRO 170 Ca 0.08 0.85 -0.17 0.00 0.05 0.00 0.00 61.00 61.81 1bxr s PRO 170 Cb -0.15 -2.00 -0.09 0.00 0.05 0.00 0.00 34.50 32.32 1bxr s PRO 170 CO -0.22 -1.08 0.74 -1.12 0.05 0.00 0.00 177.00 175.36 1bxr s SER 171 N -3.91 6.88 -1.28 6.66 0.01 0.13 -4.14 113.70 118.05 1bxr s SER 171 Ca 0.58 1.34 0.00 0.00 1.31 0.00 0.00 55.95 59.18 1bxr s SER 171 Cb -0.13 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1bxr s SER 171 CO 0.55 -0.13 0.00 0.49 0.41 0.00 0.00 173.24 174.56 1bxr n PHE 172 N -0.00 -0.62 -4.15 2.43 3.72 -1.10 -4.05 117.46 113.69 1bxr n PHE 172 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 1bxr n PHE 172 Cb 0.52 -3.03 -0.10 0.00 -0.94 0.00 0.00 39.48 35.94 1bxr n PHE 172 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1bxr s THR 173 N -2.71 0.53 0.28 4.37 -4.23 -1.26 -4.53 115.64 108.09 1bxr s THR 173 Ca 0.00 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 58.54 1bxr s THR 173 Cb 0.00 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 1bxr s THR 173 CO 0.00 -0.88 0.44 0.00 -0.54 0.00 0.00 174.62 173.63 1bxr s MET 174 N -3.87 1.65 -0.42 3.99 0.23 -1.26 -4.85 119.30 114.77 1bxr s MET 174 Ca 0.11 -1.49 0.00 0.00 -1.03 0.00 0.00 55.69 53.28 1bxr s MET 174 Cb 0.06 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.80 1bxr s MET 174 CO -0.06 -0.67 0.00 0.41 -2.03 0.00 0.00 175.02 172.67 1bxr n GLY 175 N -0.44 0.67 2.51 3.16 0.00 -1.26 -1.73 105.19 108.11 1bxr n GLY 175 Ca -0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 1bxr n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 176 N -2.03 1.70 3.67 -0.02 0.00 -1.26 -1.31 105.19 105.93 1bxr n GLY 176 Ca -0.04 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 1bxr n GLY 176 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bxr n SER 177 N -0.88 3.70 -0.03 1.61 7.64 -0.70 -1.05 113.62 123.90 1bxr n SER 177 Ca -0.18 0.92 -0.00 0.00 1.01 0.00 0.00 58.87 60.61 1bxr n SER 177 Cb 0.58 -1.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1bxr n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxr n GLY 178 N 4.54 0.47 1.35 0.23 0.00 -1.26 -4.69 105.19 105.82 1bxr n GLY 178 Ca 0.22 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1bxr n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 179 N -2.81 3.55 0.00 -0.02 0.00 -0.22 -3.07 105.19 102.61 1bxr n GLY 179 Ca -0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1bxr n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 180 N 2.71 -1.85 3.34 -0.02 0.00 -1.15 -4.62 105.19 103.60 1bxr n GLY 180 Ca -0.05 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 1bxr n GLY 180 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 181 N -2.15 4.15 -0.47 -0.61 1.01 -1.26 -1.76 121.20 120.10 1bxr s ILE 181 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 1bxr s ILE 181 Cb 0.00 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.23 1bxr s ILE 181 CO 0.00 -0.12 0.79 0.00 0.00 0.00 0.00 174.94 175.62 1bxr s ALA 182 N 1.49 3.28 -0.60 9.38 0.00 -0.19 -4.87 121.76 130.25 1bxr s ALA 182 Ca 0.01 -1.13 0.22 0.00 0.00 0.00 0.00 51.96 51.07 1bxr s ALA 182 Cb -0.19 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1bxr s ALA 182 CO 0.04 -2.02 0.94 0.66 0.00 0.00 0.00 175.76 175.39 1bxr n TYR 183 N 6.79 0.19 -4.00 0.00 4.01 -1.26 -0.64 117.16 122.26 1bxr n TYR 183 Ca 0.01 0.06 -0.13 0.00 -0.16 0.00 0.00 57.90 57.68 1bxr n TYR 183 Cb 0.48 -0.38 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 1bxr n TYR 183 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1bxr n ASN 184 N -1.93 -1.38 -0.02 7.72 0.23 -1.26 -4.70 115.26 113.92 1bxr n ASN 184 Ca 0.01 -2.75 -0.17 0.00 -0.53 0.00 0.00 54.58 51.15 1bxr n ASN 184 Cb 0.44 2.53 -0.08 0.00 -2.08 0.00 0.00 39.78 40.59 1bxr n ASN 184 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1bxr h ARG 185 N 0.00 0.71 -0.22 -3.83 2.43 -1.99 -2.32 114.38 109.15 1bxr h ARG 185 Ca -0.26 -0.58 0.03 0.00 -0.81 0.00 0.00 59.98 58.35 1bxr h ARG 185 Cb 1.12 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1bxr h ARG 185 CO 0.35 1.19 0.05 1.49 -1.51 0.00 0.00 179.97 181.55 1bxr h GLU 186 N 0.40 0.14 -0.81 0.20 4.81 -2.02 -2.48 114.58 114.83 1bxr h GLU 186 Ca -0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1bxr h GLU 186 Cb 1.33 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 1bxr h GLU 186 CO 0.14 0.09 0.46 0.93 -0.73 0.00 0.00 179.01 179.91 1bxr h GLU 187 N 0.14 1.11 -0.43 1.92 5.08 -1.97 -3.11 114.58 117.31 1bxr h GLU 187 Ca 0.10 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1bxr h GLU 187 Cb 0.09 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 1bxr h GLU 187 CO -0.13 0.80 0.03 0.35 -1.00 0.00 0.00 179.01 179.06 1bxr h PHE 188 N 1.11 0.02 -0.41 4.33 3.57 -0.96 -1.83 116.94 122.77 1bxr h PHE 188 Ca 0.29 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.71 1bxr h PHE 188 Cb -0.01 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1bxr h PHE 188 CO -0.00 -0.06 -0.16 0.93 -2.23 0.00 0.00 178.31 176.78 1bxr h GLU 189 N 0.14 0.84 -0.05 1.11 5.08 -1.42 -1.87 114.58 118.40 1bxr h GLU 189 Ca 0.21 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1bxr h GLU 189 Cb 0.30 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1bxr h GLU 189 CO -0.33 0.98 0.03 1.49 -1.00 0.00 0.00 179.01 180.18 1bxr h GLU 190 N 0.65 0.07 0.21 2.33 4.81 -1.53 0.29 114.58 121.40 1bxr h GLU 190 Ca 0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1bxr h GLU 190 Cb 0.71 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1bxr h GLU 190 CO 0.05 0.07 -0.10 0.82 -0.73 0.00 0.00 179.01 179.12 1bxr h ILE 191 N 0.05 0.85 -0.75 2.32 2.04 -1.33 -2.50 117.51 118.18 1bxr h ILE 191 Ca 0.02 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1bxr h ILE 191 Cb 0.01 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1bxr h ILE 191 CO -0.00 0.06 0.48 0.00 0.00 0.00 0.00 178.15 178.70 1bxr h ALA 193 N 1.30 0.02 -0.09 0.00 0.00 -0.34 -0.21 119.26 119.94 1bxr h ALA 193 Ca 0.29 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1bxr h ALA 193 Cb -0.04 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1bxr h ALA 193 CO -0.09 -0.58 0.04 -0.09 0.00 0.00 0.00 179.25 178.53 1bxr h ARG 194 N -0.15 0.09 -0.22 0.00 2.43 -1.07 -2.42 114.38 113.03 1bxr h ARG 194 Ca 0.15 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1bxr h ARG 194 Cb 0.37 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1bxr h ARG 194 CO -0.36 0.06 0.13 0.78 -1.51 0.00 0.00 179.97 179.06 1bxr h GLY 195 N 0.09 0.32 0.74 2.80 0.00 -0.84 0.47 103.07 106.65 1bxr h GLY 195 Ca 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.26 1bxr h GLY 195 CO -0.03 0.13 0.14 1.41 0.00 0.00 0.00 176.54 178.20 1bxr h LEU 196 N 0.26 0.17 -0.03 3.11 3.38 -1.04 1.32 115.31 122.48 1bxr h LEU 196 Ca 0.08 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bxr h LEU 196 Cb 0.04 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bxr h LEU 196 CO -0.01 0.14 0.01 -0.78 0.09 0.00 0.00 178.44 177.89 1bxr h ASP 197 N 0.30 0.04 -0.82 -0.43 3.58 -1.27 -3.11 116.42 114.72 1bxr h ASP 197 Ca 0.16 -0.18 0.03 0.00 0.42 0.00 0.00 57.03 57.46 1bxr h ASP 197 Cb 0.11 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 1bxr h ASP 197 CO -0.14 0.21 0.54 0.25 -2.88 0.00 0.00 179.24 177.21 1bxr h LEU 198 N -0.12 0.87 -9.60 2.28 5.85 0.52 -3.44 115.31 111.67 1bxr h LEU 198 Ca 0.01 -0.01 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 1bxr h LEU 198 Cb 0.18 -0.20 0.05 0.00 0.37 0.00 0.00 40.66 41.06 1bxr h LEU 198 CO -0.00 0.60 1.06 -0.24 -0.34 0.00 0.00 178.44 179.52 1bxr n SER 199 N -4.45 4.05 0.08 1.25 2.88 0.45 -4.86 113.62 113.02 1bxr n SER 199 Ca 0.11 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.65 1bxr n SER 199 Cb 0.11 -1.57 0.23 0.00 -0.75 0.00 0.00 64.21 62.24 1bxr n SER 199 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1bxr h PRO 200 N 7.56 0.30 -0.28 -1.46 0.11 -1.80 -2.27 132.00 134.16 1bxr h PRO 200 Ca -0.44 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1bxr h PRO 200 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bxr h PRO 200 CO 0.96 0.62 0.00 0.25 -0.21 0.00 0.00 178.00 179.61 1bxr n THR 201 N -4.07 0.35 -3.88 -1.15 -2.24 -1.26 -4.95 114.28 97.08 1bxr n THR 201 Ca -0.01 -0.59 -0.28 0.00 -2.27 0.00 0.00 64.05 60.90 1bxr n THR 201 Cb 0.44 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 69.54 1bxr n THR 201 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1bxr n LYS 202 N 1.10 -5.20 -3.86 -0.78 4.81 -0.86 -4.96 118.16 108.41 1bxr n LYS 202 Ca 0.18 0.58 -0.15 0.00 -0.87 0.00 0.00 58.31 58.05 1bxr n LYS 202 Cb 0.52 -5.36 -0.16 0.00 0.02 0.00 0.00 35.03 30.05 1bxr n LYS 202 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1bxr s GLU 203 N -6.48 0.10 0.09 1.64 2.12 -1.26 -4.47 118.70 110.44 1bxr s GLU 203 Ca 0.48 0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.97 1bxr s GLU 203 Cb -0.24 -0.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 1bxr s GLU 203 CO 0.83 -0.11 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.86 1bxr s LEU 204 N 0.81 3.16 -0.33 2.70 1.43 -0.70 0.21 118.68 125.96 1bxr s LEU 204 Ca -0.07 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1bxr s LEU 204 Cb -0.10 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.26 1bxr s LEU 204 CO -0.02 0.19 0.05 -0.22 0.23 0.00 0.00 176.35 176.58 1bxr s LEU 205 N -2.15 4.26 -0.16 1.79 2.96 0.33 -1.86 118.68 123.84 1bxr s LEU 205 Ca 0.22 -1.52 -0.18 0.00 -0.22 0.00 0.00 54.13 52.43 1bxr s LEU 205 Cb -0.11 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1bxr s LEU 205 CO 0.14 -0.33 0.49 -0.63 -1.32 0.00 0.00 176.35 174.70 1bxr s ILE 206 N 1.20 5.15 0.30 6.68 1.09 -0.37 -1.89 121.20 133.36 1bxr s ILE 206 Ca -0.01 0.93 0.10 0.00 -1.10 0.00 0.00 60.65 60.57 1bxr s ILE 206 Cb -0.20 -3.82 -0.05 0.00 -1.06 0.00 0.00 42.46 37.33 1bxr s ILE 206 CO -0.02 0.25 -0.02 -1.81 -0.10 0.00 0.00 174.94 173.24 1bxr s ASP 207 N 0.91 4.27 0.97 3.58 1.01 0.15 -2.38 116.67 125.19 1bxr s ASP 207 Ca 0.24 -0.83 -0.13 0.00 0.71 0.00 0.00 52.55 52.54 1bxr s ASP 207 Cb -0.15 -0.64 0.18 0.00 1.01 0.00 0.00 42.92 43.32 1bxr s ASP 207 CO 0.10 -0.10 1.07 -1.84 0.21 0.00 0.00 175.17 174.61 1bxr n GLU 208 N -0.89 -0.98 -3.61 8.23 0.28 -0.02 -1.08 120.64 122.58 1bxr n GLU 208 Ca -0.05 -1.72 -0.36 0.00 -0.16 0.00 0.00 57.16 54.87 1bxr n GLU 208 Cb 0.60 -1.07 -0.08 0.00 1.43 0.00 0.00 31.44 32.32 1bxr n GLU 208 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1bxr s SER 209 N -4.92 6.28 -0.12 -1.84 0.15 -1.20 -4.34 113.70 107.70 1bxr s SER 209 Ca 0.61 0.32 0.15 0.00 0.70 0.00 0.00 55.95 57.72 1bxr s SER 209 Cb -0.02 -2.14 0.41 0.00 -1.71 0.00 0.00 66.02 62.56 1bxr s SER 209 CO 0.43 0.09 1.31 0.18 1.20 0.00 0.00 173.24 176.44 1bxr n LEU 210 N 3.89 3.29 -4.66 3.45 4.77 -1.26 -5.04 117.00 121.43 1bxr n LEU 210 Ca -0.13 -2.76 -0.47 0.00 -0.03 0.00 0.00 56.01 52.61 1bxr n LEU 210 Cb 0.52 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1bxr n LEU 210 CO 0.38 0.68 1.23 -0.38 -1.33 0.00 0.00 177.39 177.97 1bxr n ILE 211 N -0.48 0.13 -0.02 -0.08 5.41 -1.26 -1.51 119.36 121.55 1bxr n ILE 211 Ca 0.17 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1bxr n ILE 211 Cb 0.71 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 1bxr n ILE 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bxr n GLY 212 N 3.55 0.49 3.75 7.39 0.00 -0.95 -4.98 105.19 114.45 1bxr n GLY 212 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1bxr n GLY 212 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bxr s TRP 213 N -2.18 2.40 0.53 1.61 0.52 -0.57 -4.69 118.94 116.56 1bxr s TRP 213 Ca 0.00 0.98 -0.17 0.00 0.02 0.00 0.00 56.10 56.93 1bxr s TRP 213 Cb 0.00 -3.28 -0.07 0.00 -1.15 0.00 0.00 33.47 28.97 1bxr s TRP 213 CO 0.00 -2.46 1.01 0.15 0.02 0.00 0.00 176.95 175.67 1bxr s LYS 214 N -5.12 3.78 -0.09 4.98 1.02 0.17 -1.73 119.74 122.75 1bxr s LYS 214 Ca 0.64 1.06 0.04 0.00 0.02 0.00 0.00 55.97 57.73 1bxr s LYS 214 Cb -0.16 -2.11 -0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1bxr s LYS 214 CO 0.55 -0.41 -0.23 -2.00 -0.92 0.00 0.00 175.35 172.34 1bxr s GLU 215 N -3.97 2.86 0.06 1.68 2.12 -1.26 -0.16 118.70 120.03 1bxr s GLU 215 Ca 0.61 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 55.12 1bxr s GLU 215 Cb -0.12 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 1bxr s GLU 215 CO 0.31 0.19 -0.07 0.71 -0.54 0.00 0.00 175.26 175.86 1bxr s TYR 216 N 0.31 0.68 0.04 5.30 1.51 0.25 -1.45 117.35 123.99 1bxr s TYR 216 Ca -0.17 -0.67 0.02 0.00 -1.01 0.00 0.00 57.07 55.24 1bxr s TYR 216 Cb -0.17 -0.41 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1bxr s TYR 216 CO 0.08 -0.14 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.09 1bxr s GLU 217 N -2.43 0.55 -0.01 -0.62 2.02 -0.64 0.99 118.70 118.56 1bxr s GLU 217 Ca -0.03 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.22 1bxr s GLU 217 Cb -0.04 -0.31 -0.00 0.00 0.10 0.00 0.00 34.13 33.87 1bxr s GLU 217 CO -0.02 0.05 -0.10 -1.64 0.02 0.00 0.00 175.26 173.58 1bxr s MET 218 N -1.62 0.85 -0.25 1.61 -1.94 -0.73 0.16 119.30 117.39 1bxr s MET 218 Ca -0.09 -0.34 -0.06 0.00 -1.71 0.00 0.00 55.69 53.49 1bxr s MET 218 Cb -0.10 -0.81 -0.02 0.00 2.01 0.00 0.00 34.83 35.91 1bxr s MET 218 CO 0.00 0.18 0.03 -1.21 -0.01 0.00 0.00 175.02 174.01 1bxr s GLU 219 N -0.09 3.48 0.13 2.03 0.41 -0.29 -1.37 118.70 122.99 1bxr s GLU 219 Ca 0.02 -0.58 0.10 0.00 -0.41 0.00 0.00 54.97 54.10 1bxr s GLU 219 Cb -0.05 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 1bxr s GLU 219 CO -0.00 -0.23 -0.22 0.08 -0.49 0.00 0.00 175.26 174.40 1bxr s VAL 220 N 1.55 2.58 -0.03 2.63 1.01 0.37 0.25 120.40 128.76 1bxr s VAL 220 Ca 0.06 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.41 1bxr s VAL 220 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1bxr s VAL 220 CO 0.01 0.07 -0.09 -0.69 0.00 0.00 0.00 175.10 174.40 1bxr s VAL 221 N -1.17 0.80 -0.01 2.92 1.01 -0.14 0.55 120.40 124.37 1bxr s VAL 221 Ca 0.17 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1bxr s VAL 221 Cb -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1bxr s VAL 221 CO 0.09 0.26 -0.17 -0.60 0.00 0.00 0.00 175.10 174.68 1bxr s ARG 222 N 0.36 1.33 0.51 2.72 3.52 0.66 -1.89 118.95 126.16 1bxr s ARG 222 Ca -0.06 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 54.98 1bxr s ARG 222 Cb -0.11 -1.30 0.03 0.00 -1.56 0.00 0.00 34.95 32.02 1bxr s ARG 222 CO 0.01 0.35 0.49 0.16 -0.81 0.00 0.00 175.30 175.50 1bxr s ASP 223 N -0.48 4.88 0.46 -2.12 1.47 -0.44 -1.54 116.67 118.91 1bxr s ASP 223 Ca 0.06 -1.00 0.21 0.00 1.18 0.00 0.00 52.55 53.01 1bxr s ASP 223 Cb -0.07 0.09 1.15 0.00 -0.34 0.00 0.00 42.92 43.75 1bxr s ASP 223 CO -0.00 -1.03 1.97 0.07 0.68 0.00 0.00 175.17 176.86 1bxr h LYS 224 N 0.69 0.00 0.00 2.11 2.10 -1.75 -1.93 116.57 117.79 1bxr h LYS 224 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1bxr h LYS 224 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1bxr h LYS 224 CO 0.53 0.20 0.00 0.09 -2.00 0.00 0.00 179.45 178.27 1bxr n ASN 225 N -3.84 0.00 0.00 7.07 4.13 -1.26 -4.88 115.26 116.48 1bxr n ASN 225 Ca -0.02 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.58 1bxr n ASN 225 Cb 0.30 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 1bxr n ASN 225 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1bxr n ASP 226 N -1.10 -0.44 -4.76 6.41 2.03 -0.72 -5.03 116.55 112.93 1bxr n ASP 226 Ca 0.20 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.09 1bxr n ASP 226 Cb 0.15 -0.07 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1bxr n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1bxr n ASN 227 N 0.00 3.64 -3.91 1.67 3.02 -1.26 -4.72 115.26 113.70 1bxr n ASN 227 Ca 0.00 1.21 -0.17 0.00 -0.03 0.00 0.00 54.58 55.59 1bxr n ASN 227 Cb 0.00 -1.59 -0.15 0.00 -0.61 0.00 0.00 39.78 37.43 1bxr n ASN 227 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bxr s ILE 229 N 0.33 0.27 -0.30 0.00 -4.36 -0.79 -5.01 121.20 111.33 1bxr s ILE 229 Ca -0.03 -1.08 -0.16 0.00 -0.26 0.00 0.00 60.65 59.12 1bxr s ILE 229 Cb -0.07 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 43.09 1bxr s ILE 229 CO -0.00 -0.52 0.41 -0.63 0.24 0.00 0.00 174.94 174.43 1bxr s ILE 230 N -1.74 5.14 -0.02 8.37 -1.09 -1.26 -0.97 121.20 129.64 1bxr s ILE 230 Ca -0.11 0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 58.60 1bxr s ILE 230 Cb -0.08 -3.79 -0.32 0.00 -1.58 0.00 0.00 42.46 36.69 1bxr s ILE 230 CO -0.02 0.02 0.80 0.58 -1.23 0.00 0.00 174.94 175.10 1bxr h VAL 231 N 5.47 1.07 -2.48 2.92 2.07 0.30 -3.39 116.25 122.22 1bxr h VAL 231 Ca -0.30 -2.60 -0.08 0.00 0.82 0.00 0.00 66.70 64.54 1bxr h VAL 231 Cb 1.15 2.87 -0.19 0.00 -1.52 0.00 0.00 31.29 33.60 1bxr h VAL 231 CO 0.68 0.84 0.03 0.00 0.02 0.00 0.00 177.57 179.14 1bxr s SER 233 N -1.44 3.50 -0.03 0.00 1.04 -1.26 -1.14 113.70 114.37 1bxr s SER 233 Ca -0.10 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.71 1bxr s SER 233 Cb -0.02 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.75 1bxr s SER 233 CO 0.05 0.20 -0.08 -0.63 0.98 0.00 0.00 173.24 173.77 1bxr s ILE 234 N -1.02 0.69 -0.20 -1.02 1.01 0.12 -3.36 121.20 117.42 1bxr s ILE 234 Ca 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 1bxr s ILE 234 Cb -0.10 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 1bxr s ILE 234 CO 0.06 0.22 -0.00 -0.70 0.00 0.00 0.00 174.94 174.52 1bxr s GLU 235 N 0.30 3.61 0.36 2.79 2.12 -0.27 -1.62 118.70 125.99 1bxr s GLU 235 Ca -0.04 -0.52 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 1bxr s GLU 235 Cb -0.09 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 1bxr s GLU 235 CO 0.00 0.02 1.01 -0.80 -0.54 0.00 0.00 175.26 174.95 1bxr s ASN 236 N 0.96 7.04 -0.16 -1.70 0.02 -0.53 -0.64 114.94 119.93 1bxr s ASN 236 Ca 0.01 1.96 -0.26 0.00 -1.02 0.00 0.00 52.86 53.55 1bxr s ASN 236 Cb -0.14 -2.58 -0.23 0.00 0.02 0.00 0.00 41.25 38.31 1bxr s ASN 236 CO 0.02 -0.29 0.57 0.15 0.02 0.00 0.00 177.10 177.57 1bxr h PHE 237 N 2.84 0.00 -3.40 2.20 3.57 -0.83 -3.44 116.94 117.88 1bxr h PHE 237 Ca -0.48 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.50 1bxr h PHE 237 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1bxr h PHE 237 CO 0.60 1.13 0.47 -0.51 -2.23 0.00 0.00 178.31 177.77 1bxr s ASP 238 N -6.41 7.25 1.07 0.41 1.01 -1.23 -4.49 116.67 114.28 1bxr s ASP 238 Ca -0.22 1.95 -0.17 0.00 0.71 0.00 0.00 52.55 54.82 1bxr s ASP 238 Cb -0.00 -2.59 0.24 0.00 1.01 0.00 0.00 42.92 41.58 1bxr s ASP 238 CO 0.64 -0.30 1.20 0.00 0.21 0.00 0.00 175.17 176.93 1bxr s ALA 239 N 0.48 1.42 0.26 5.23 0.00 -1.26 -4.76 121.76 123.12 1bxr s ALA 239 Ca 0.53 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1bxr s ALA 239 Cb -0.27 -2.85 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 1bxr s ALA 239 CO 0.31 -2.97 1.15 -1.33 0.00 0.00 0.00 175.76 172.92 1bxr n MET 240 N -4.24 1.52 0.00 0.00 2.81 -0.71 -2.87 117.12 113.63 1bxr n MET 240 Ca 0.13 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 1bxr n MET 240 Cb 0.59 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1bxr n MET 240 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bxr n GLY 241 N 1.54 2.16 3.06 3.03 0.00 -1.26 -2.23 105.19 111.50 1bxr n GLY 241 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1bxr n GLY 241 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 242 N -2.07 2.06 0.19 -0.61 1.01 -1.14 -3.53 121.20 117.11 1bxr s ILE 242 Ca 0.00 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 58.91 1bxr s ILE 242 Cb 0.00 -2.13 -0.17 0.00 0.01 0.00 0.00 42.46 40.17 1bxr s ILE 242 CO 0.00 0.07 0.63 1.57 0.00 0.00 0.00 174.94 177.21 1bxr n HIS 243 N 4.50 -0.19 -0.04 3.97 -0.00 0.15 -4.66 115.22 118.94 1bxr n HIS 243 Ca -0.15 0.95 0.23 0.00 -0.00 0.00 0.00 57.72 58.74 1bxr n HIS 243 Cb 0.44 -2.01 0.71 0.00 -0.00 0.00 0.00 29.99 29.13 1bxr n HIS 243 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1bxr h THR 244 N 1.30 0.62 0.00 3.57 1.35 -1.93 -0.54 112.91 117.28 1bxr h THR 244 Ca -0.31 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.51 1bxr h THR 244 Cb 1.43 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1bxr h THR 244 CO 0.58 0.00 -0.19 1.23 -0.25 0.00 0.00 175.52 176.90 1bxr h GLY 245 N 0.00 0.00 -1.84 5.82 0.00 -1.97 -2.75 103.07 102.32 1bxr h GLY 245 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1bxr h GLY 245 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1bxr n ASP 246 N -3.27 3.02 -4.85 0.19 9.92 -0.28 -4.72 116.55 116.56 1bxr n ASP 246 Ca 0.01 -1.89 -0.26 0.00 -0.53 0.00 0.00 54.79 52.12 1bxr n ASP 246 Cb 0.46 -0.15 -0.05 0.00 -0.64 0.00 0.00 41.12 40.74 1bxr n ASP 246 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1bxr s SER 247 N -1.40 5.80 0.06 -2.24 0.01 -0.81 -4.81 113.70 110.31 1bxr s SER 247 Ca 0.30 -0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.25 1bxr s SER 247 Cb 0.18 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 1bxr s SER 247 CO 0.26 0.06 0.90 -0.63 0.41 0.00 0.00 173.24 174.24 1bxr s ILE 248 N -1.75 4.69 0.08 1.44 1.01 -1.26 -4.34 121.20 121.06 1bxr s ILE 248 Ca 0.32 1.92 0.02 0.00 0.00 0.00 0.00 60.65 62.90 1bxr s ILE 248 Cb -0.10 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1bxr s ILE 248 CO 0.25 0.29 -0.06 0.42 0.00 0.00 0.00 174.94 175.83 1bxr s THR 249 N 0.29 0.62 0.11 2.92 -4.23 -0.39 -0.08 115.64 114.87 1bxr s THR 249 Ca 0.45 -1.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1bxr s THR 249 Cb -0.22 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 1bxr s THR 249 CO 0.27 -0.80 -0.08 0.68 -0.54 0.00 0.00 174.62 174.15 1bxr s VAL 250 N -3.26 0.82 -0.02 2.29 -7.23 0.19 -1.12 120.40 112.07 1bxr s VAL 250 Ca 0.07 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1bxr s VAL 250 Cb 0.03 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 1bxr s VAL 250 CO -0.04 -0.79 -0.12 0.00 -0.31 0.00 0.00 175.10 173.83 1bxr s ALA 251 N -3.34 1.08 0.75 1.32 0.00 0.12 -1.11 121.76 120.58 1bxr s ALA 251 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1bxr s ALA 251 Cb 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.88 1bxr s ALA 251 CO -0.03 0.23 0.35 -0.35 0.00 0.00 0.00 175.76 175.96 1bxr n PRO 252 N 2.99 -0.01 -1.83 0.00 -0.04 -1.26 -0.98 135.00 133.86 1bxr n PRO 252 Ca -0.16 -0.70 -0.37 0.00 -0.04 0.00 0.00 63.50 62.22 1bxr n PRO 252 Cb 0.55 -0.31 0.05 0.00 -0.04 0.00 0.00 33.50 33.75 1bxr n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bxr s ALA 253 N -3.46 2.60 -0.07 0.55 0.00 -1.21 -4.43 121.76 115.74 1bxr s ALA 253 Ca 0.21 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1bxr s ALA 253 Cb -0.01 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1bxr s ALA 253 CO 0.14 -1.39 -0.04 1.04 0.00 0.00 0.00 175.76 175.51 1bxr n GLN 254 N -1.45 1.06 -0.89 0.00 1.13 -1.26 -4.85 117.38 111.11 1bxr n GLN 254 Ca 0.13 0.03 -0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1bxr n GLN 254 Cb 0.47 -1.15 0.20 0.00 0.11 0.00 0.00 30.24 29.87 1bxr n GLN 254 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1bxr n THR 255 N -2.57 2.68 -4.30 5.09 -2.24 -1.26 -4.97 114.28 106.71 1bxr n THR 255 Ca -0.12 -2.59 -0.33 0.00 -2.27 0.00 0.00 64.05 58.74 1bxr n THR 255 Cb 0.66 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 1bxr n THR 255 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxr s LEU 256 N -3.26 3.51 0.68 3.22 1.43 -1.26 -5.12 118.68 117.88 1bxr s LEU 256 Ca 0.47 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.49 1bxr s LEU 256 Cb 0.42 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.68 1bxr s LEU 256 CO 0.02 0.29 1.03 0.42 0.23 0.00 0.00 176.35 178.34 1bxr s THR 257 N -1.06 3.13 0.32 5.49 -4.23 -1.26 -4.82 115.64 113.21 1bxr s THR 257 Ca 0.19 0.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1bxr s THR 257 Cb -0.11 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.69 1bxr s THR 257 CO 0.09 -0.38 1.90 -0.78 -0.54 0.00 0.00 174.62 174.92 1bxr h ASP 258 N -0.54 0.82 -0.64 3.99 3.58 -2.00 -0.47 116.42 121.15 1bxr h ASP 258 Ca -0.45 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.04 1bxr h ASP 258 Cb 1.28 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 1bxr h ASP 258 CO 0.62 0.50 0.40 0.11 -2.88 0.00 0.00 179.24 177.99 1bxr h LYS 259 N 0.91 0.77 -0.08 0.28 1.57 -2.00 -1.47 116.57 116.55 1bxr h LYS 259 Ca 0.40 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.97 1bxr h LYS 259 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1bxr h LYS 259 CO -0.16 0.51 -0.63 0.93 -0.57 0.00 0.00 179.45 179.52 1bxr h GLU 260 N 0.79 0.31 0.14 3.15 5.08 -1.50 -2.79 114.58 119.76 1bxr h GLU 260 Ca 0.26 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1bxr h GLU 260 Cb 0.01 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1bxr h GLU 260 CO -0.10 0.84 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.66 1bxr h TYR 261 N 0.23 -0.46 -0.77 4.33 3.20 -0.82 -1.49 116.97 121.20 1bxr h TYR 261 Ca -0.01 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1bxr h TYR 261 Cb 1.16 0.18 -0.09 0.00 1.54 0.00 0.00 36.73 39.53 1bxr h TYR 261 CO 0.03 -0.26 0.36 1.96 -1.64 0.00 0.00 178.16 178.61 1bxr h GLN 262 N -0.36 0.54 -0.55 1.82 1.08 -1.24 0.46 115.11 116.87 1bxr h GLN 262 Ca 0.01 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1bxr h GLN 262 Cb 0.36 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1bxr h GLN 262 CO -0.07 0.36 0.32 0.82 -0.95 0.00 0.00 178.83 179.31 1bxr h ILE 263 N 0.56 1.17 -0.62 2.54 2.04 -1.31 0.20 117.51 122.10 1bxr h ILE 263 Ca 0.41 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 1bxr h ILE 263 Cb 0.54 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1bxr h ILE 263 CO -0.34 0.18 0.05 -0.03 0.00 0.00 0.00 178.15 178.00 1bxr h MET 264 N 0.74 1.05 -0.12 2.37 4.05 0.22 -1.49 114.93 121.74 1bxr h MET 264 Ca 0.20 -0.30 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1bxr h MET 264 Cb -0.00 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1bxr h MET 264 CO -0.04 0.99 -0.01 -0.09 0.23 0.00 0.00 176.91 178.00 1bxr h ARG 265 N 0.97 0.22 -0.63 0.39 2.43 0.26 -1.15 114.38 116.87 1bxr h ARG 265 Ca 0.18 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1bxr h ARG 265 Cb 0.49 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1bxr h ARG 265 CO 0.02 0.48 0.40 -0.91 -1.51 0.00 0.00 179.97 178.46 1bxr h ASN 266 N -0.06 0.67 -0.81 -3.80 -0.26 -0.51 -1.74 115.58 109.07 1bxr h ASN 266 Ca 0.03 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.81 1bxr h ASN 266 Cb 0.39 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.44 1bxr h ASN 266 CO 0.01 0.48 0.51 0.00 -1.06 0.00 0.00 177.43 177.36 1bxr h ALA 267 N 1.26 1.08 -0.36 -0.83 0.00 -1.15 0.28 119.26 119.55 1bxr h ALA 267 Ca 0.24 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1bxr h ALA 267 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1bxr h ALA 267 CO -0.08 0.29 0.17 0.77 0.00 0.00 0.00 179.25 180.40 1bxr h SER 268 N 0.96 0.24 -0.27 0.00 0.02 -0.38 0.19 113.55 114.31 1bxr h SER 268 Ca 0.33 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1bxr h SER 268 Cb 0.07 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1bxr h SER 268 CO -0.14 0.18 -0.12 0.24 -1.14 0.00 0.00 176.83 175.85 1bxr h MET 269 N 0.35 0.56 -0.78 3.45 2.86 -0.71 -2.64 114.93 118.01 1bxr h MET 269 Ca 0.15 -0.24 0.15 0.00 -2.06 0.00 0.00 59.70 57.70 1bxr h MET 269 Cb 0.07 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.61 1bxr h MET 269 CO -0.11 0.80 0.32 0.00 1.06 0.00 0.00 176.91 178.98 1bxr h ALA 270 N 0.74 1.13 -0.79 6.32 0.00 0.04 -1.33 119.26 125.37 1bxr h ALA 270 Ca 0.06 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1bxr h ALA 270 Cb 0.63 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1bxr h ALA 270 CO 0.04 -0.22 0.35 0.28 0.00 0.00 0.00 179.25 179.70 1bxr h VAL 271 N 0.45 1.25 -0.23 0.00 2.07 -0.46 -1.02 116.25 118.31 1bxr h VAL 271 Ca 0.44 -0.74 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 1bxr h VAL 271 Cb 0.69 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1bxr h VAL 271 CO -0.42 0.31 -0.50 -0.07 0.02 0.00 0.00 177.57 176.91 1bxr h LEU 272 N 1.13 0.70 -0.32 2.57 4.07 -0.91 -2.38 115.31 120.18 1bxr h LEU 272 Ca 0.27 -0.35 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 1bxr h LEU 272 Cb 0.15 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1bxr h LEU 272 CO -0.03 1.08 -0.03 0.03 -1.08 0.00 0.00 178.44 178.41 1bxr h ARG 273 N 0.50 0.58 -0.56 1.13 3.08 -1.26 -2.04 114.38 115.80 1bxr h ARG 273 Ca 0.02 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1bxr h ARG 273 Cb 1.05 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1bxr h ARG 273 CO 0.10 0.73 0.21 1.49 -1.07 0.00 0.00 179.97 181.43 1bxr h GLU 274 N 0.37 0.84 0.00 0.04 4.57 -1.13 -3.15 114.58 116.11 1bxr h GLU 274 Ca 0.09 -0.16 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 1bxr h GLU 274 Cb 0.49 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1bxr h GLU 274 CO 0.02 0.73 -0.51 0.82 -1.18 0.00 0.00 179.01 178.90 1bxr h ILE 275 N 0.76 1.12 0.00 2.32 5.03 -1.39 -3.48 117.51 121.87 1bxr h ILE 275 Ca 0.18 -1.91 0.00 0.00 -0.12 0.00 0.00 64.86 63.02 1bxr h ILE 275 Cb 0.22 2.10 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 1bxr h ILE 275 CO -0.01 0.50 0.00 0.61 -0.68 0.00 0.00 178.15 178.56 1bxr n GLY 276 N 0.40 0.83 3.64 5.37 0.00 -0.81 -4.19 105.19 110.42 1bxr n GLY 276 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1bxr n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 277 N -2.00 4.00 0.00 1.61 1.01 -0.94 -4.77 120.40 119.31 1bxr s VAL 277 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1bxr s VAL 277 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1bxr s VAL 277 CO 0.00 -0.29 0.00 -0.62 0.00 0.00 0.00 175.10 174.19 1bxr n GLU 278 N 7.19 0.81 -2.65 2.72 1.02 -1.26 -4.60 120.64 123.87 1bxr n GLU 278 Ca 0.16 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.12 1bxr n GLU 278 Cb 0.45 -0.97 0.01 0.00 -0.02 0.00 0.00 31.44 30.91 1bxr n GLU 278 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bxr n THR 279 N -1.50 1.53 -1.98 2.62 -2.24 -1.24 -2.60 114.28 108.88 1bxr n THR 279 Ca 0.00 -4.02 0.00 0.00 -2.27 0.00 0.00 64.05 57.76 1bxr n THR 279 Cb 0.07 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1bxr n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 280 N -0.20 2.02 3.11 3.38 0.00 -0.59 -3.91 105.19 109.00 1bxr n GLY 280 Ca 0.23 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1bxr n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bxr s GLY 281 N -0.24 0.70 0.15 -0.02 0.00 -1.26 0.24 107.32 106.90 1bxr s GLY 281 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.97 1bxr s GLY 281 CO 0.00 -0.70 0.11 -0.56 0.00 0.00 0.00 173.10 171.95 1bxr s SER 282 N -0.96 0.23 -0.15 1.64 0.01 0.19 -4.12 113.70 110.54 1bxr s SER 282 Ca 0.01 -1.20 -0.02 0.00 1.31 0.00 0.00 55.95 56.05 1bxr s SER 282 Cb -0.07 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 1bxr s SER 282 CO 0.01 -0.78 -0.07 0.21 0.41 0.00 0.00 173.24 173.01 1bxr s ASN 283 N -3.06 4.51 -0.17 2.44 3.84 -1.20 -0.48 114.94 120.81 1bxr s ASN 283 Ca 0.27 -0.21 0.00 0.00 0.21 0.00 0.00 52.86 53.13 1bxr s ASN 283 Cb 0.07 -1.72 0.01 0.00 -0.55 0.00 0.00 41.25 39.05 1bxr s ASN 283 CO 0.04 0.16 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.65 1bxr s VAL 284 N 0.40 2.40 0.06 -5.21 1.01 -0.47 -1.58 120.40 117.01 1bxr s VAL 284 Ca -0.06 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1bxr s VAL 284 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1bxr s VAL 284 CO 0.04 0.52 0.15 -1.10 0.00 0.00 0.00 175.10 174.70 1bxr s GLN 285 N 1.15 3.20 0.11 2.72 -0.21 -0.56 -1.77 119.66 124.29 1bxr s GLN 285 Ca 0.01 -0.54 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1bxr s GLN 285 Cb -0.14 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 1bxr s GLN 285 CO -0.07 0.60 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.60 1bxr s PHE 286 N -1.44 0.90 -0.04 0.91 0.40 0.28 -0.35 117.98 118.64 1bxr s PHE 286 Ca 0.32 -0.99 0.06 0.00 -0.60 0.00 0.00 56.93 55.72 1bxr s PHE 286 Cb -0.13 -0.53 -0.02 0.00 0.51 0.00 0.00 43.02 42.85 1bxr s PHE 286 CO 0.25 -0.23 -0.19 0.00 0.70 0.00 0.00 175.22 175.74 1bxr s ALA 287 N -3.71 2.44 -0.05 5.36 0.00 -0.10 -0.59 121.76 125.12 1bxr s ALA 287 Ca 0.15 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1bxr s ALA 287 Cb 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1bxr s ALA 287 CO -0.03 0.54 -0.12 0.08 0.00 0.00 0.00 175.76 176.23 1bxr s VAL 288 N -0.68 1.07 -0.57 0.00 1.01 0.78 -1.57 120.40 120.44 1bxr s VAL 288 Ca 0.11 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 1bxr s VAL 288 Cb -0.10 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.36 1bxr s VAL 288 CO -0.00 0.33 0.98 0.21 0.00 0.00 0.00 175.10 176.62 1bxr s ASN 289 N 0.35 6.33 0.54 3.32 3.84 -0.32 0.45 114.94 129.45 1bxr s ASN 289 Ca -0.08 -0.37 0.32 0.00 0.21 0.00 0.00 52.86 52.94 1bxr s ASN 289 Cb -0.12 -2.45 1.49 0.00 -0.55 0.00 0.00 41.25 39.61 1bxr s ASN 289 CO 0.02 -1.30 1.88 1.55 -2.79 0.00 0.00 177.10 176.46 1bxr h PRO 290 N 9.39 0.00 0.00 0.43 0.13 -1.93 1.45 132.00 141.47 1bxr h PRO 290 Ca -0.26 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.76 1bxr h PRO 290 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1bxr h PRO 290 CO 1.12 0.00 -0.53 0.87 -0.23 0.00 0.00 178.00 179.23 1bxr h LYS 291 N 0.00 0.00 0.00 0.86 1.57 -1.98 -3.39 116.57 113.62 1bxr h LYS 291 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1bxr h LYS 291 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.05 1bxr h LYS 291 CO -0.00 0.53 0.00 0.27 -0.57 0.00 0.00 179.45 179.68 1bxr n ASN 292 N -3.32 0.00 0.00 0.86 0.23 0.43 -5.01 115.26 108.45 1bxr n ASN 292 Ca 0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 1bxr n ASN 292 Cb 0.70 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 1bxr n ASN 292 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bxr n GLY 293 N 0.00 0.73 3.68 4.83 0.00 0.47 -4.94 105.19 109.96 1bxr n GLY 293 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1bxr n GLY 293 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bxr n ARG 294 N -2.01 2.65 -3.81 1.61 0.63 -1.23 -4.65 116.66 109.86 1bxr n ARG 294 Ca 0.00 0.97 -0.37 0.00 -0.92 0.00 0.00 57.85 57.53 1bxr n ARG 294 Cb 0.01 -2.86 -0.06 0.00 0.45 0.00 0.00 32.46 29.99 1bxr n ARG 294 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1bxr s LEU 295 N 3.39 4.35 -0.02 6.15 2.96 -1.26 -1.17 118.68 133.08 1bxr s LEU 295 Ca 0.86 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1bxr s LEU 295 Cb -0.52 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.06 1bxr s LEU 295 CO 0.42 0.34 -0.02 -0.63 -1.32 0.00 0.00 176.35 175.14 1bxr s ILE 296 N -0.67 0.26 -0.09 6.68 1.01 -0.61 -4.43 121.20 123.34 1bxr s ILE 296 Ca 0.14 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.50 1bxr s ILE 296 Cb -0.12 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 1bxr s ILE 296 CO 0.03 0.13 0.80 -0.69 0.00 0.00 0.00 174.94 175.21 1bxr s VAL 297 N 0.55 4.96 -0.17 2.92 1.01 0.37 -0.93 120.40 129.11 1bxr s VAL 297 Ca -0.06 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.47 1bxr s VAL 297 Cb -0.09 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 1bxr s VAL 297 CO -0.01 0.15 0.19 -0.38 0.00 0.00 0.00 175.10 175.06 1bxr n ILE 298 N 4.16 1.68 -0.47 2.22 2.08 0.52 -4.56 119.36 124.99 1bxr n ILE 298 Ca 0.02 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.79 1bxr n ILE 298 Cb 0.50 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 1bxr n ILE 298 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1bxr n GLU 299 N -3.61 -2.77 -3.83 0.38 0.28 -1.21 -4.99 120.64 104.88 1bxr n GLU 299 Ca -0.36 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.52 1bxr n GLU 299 Cb 0.98 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.74 1bxr n GLU 299 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bxr s MET 300 N -1.72 0.37 -0.25 3.44 0.23 -1.26 -1.50 119.30 118.61 1bxr s MET 300 Ca 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 55.69 54.61 1bxr s MET 300 Cb 0.00 0.16 0.04 0.00 -1.53 0.00 0.00 34.83 33.50 1bxr s MET 300 CO 0.00 -0.08 -0.09 -0.80 -2.03 0.00 0.00 175.02 172.02 1bxr s ASN 301 N -0.64 4.25 -1.03 -1.18 0.01 -0.62 -4.74 114.94 110.99 1bxr s ASN 301 Ca -0.07 -1.06 -0.07 0.00 -0.71 0.00 0.00 52.86 50.95 1bxr s ASN 301 Cb -0.04 -1.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.96 1bxr s ASN 301 CO 0.01 -0.15 2.92 -0.81 -1.51 0.00 0.00 177.10 177.57 1bxr n PRO 302 N 4.58 3.40 -1.18 -0.60 -0.04 -1.26 -3.27 135.00 136.64 1bxr n PRO 302 Ca -0.16 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1bxr n PRO 302 Cb 0.45 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1bxr n PRO 302 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1bxr n ARG 303 N 2.44 0.00 -2.49 0.54 1.85 -1.26 -4.91 116.66 112.84 1bxr n ARG 303 Ca 0.62 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 57.17 1bxr n ARG 303 Cb 0.43 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.82 1bxr n ARG 303 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1bxr s VAL 304 N -2.32 4.73 0.12 8.89 -7.23 -0.96 -4.40 120.40 119.23 1bxr s VAL 304 Ca 0.00 0.75 0.02 0.00 -1.81 0.00 0.00 61.98 60.94 1bxr s VAL 304 Cb 0.00 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 1bxr s VAL 304 CO 0.00 -0.76 0.06 -1.54 -0.31 0.00 0.00 175.10 172.55 1bxr n SER 305 N -1.85 0.70 0.24 4.85 3.41 -1.26 -4.68 113.62 115.04 1bxr n SER 305 Ca 0.04 -1.69 0.14 0.00 -0.26 0.00 0.00 58.87 57.10 1bxr n SER 305 Cb 0.54 0.38 0.38 0.00 -0.26 0.00 0.00 64.21 65.25 1bxr n SER 305 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1bxr h ARG 306 N 0.00 0.00 0.00 4.33 0.11 -1.96 -2.98 114.38 113.87 1bxr h ARG 306 Ca -0.09 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.92 1bxr h ARG 306 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 1bxr h ARG 306 CO 0.15 0.00 -0.31 0.77 0.10 0.00 0.00 179.97 180.68 1bxr h SER 307 N 0.00 0.00 -0.48 0.08 0.02 -1.98 -2.72 113.55 108.47 1bxr h SER 307 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1bxr h SER 307 Cb 0.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1bxr h SER 307 CO 0.00 0.31 -0.07 0.77 -1.14 0.00 0.00 176.83 176.70 1bxr h SER 308 N 0.00 0.93 -0.31 3.07 4.64 -1.92 2.14 113.55 122.10 1bxr h SER 308 Ca -0.00 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1bxr h SER 308 Cb 1.03 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1bxr h SER 308 CO 0.04 1.02 -0.13 0.00 -0.87 0.00 0.00 176.83 176.89 1bxr h ALA 309 N 1.06 0.43 0.12 5.18 0.00 -1.60 0.93 119.26 125.37 1bxr h ALA 309 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1bxr h ALA 309 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bxr h ALA 309 CO 0.04 0.31 -0.06 1.25 0.00 0.00 0.00 179.25 180.79 1bxr h LEU 310 N 0.39 -0.13 -1.50 0.00 5.85 -1.27 0.35 115.31 119.00 1bxr h LEU 310 Ca 0.07 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.62 1bxr h LEU 310 Cb 0.65 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1bxr h LEU 310 CO 0.04 0.23 0.49 0.00 -0.34 0.00 0.00 178.44 178.86 1bxr h ALA 311 N 0.30 1.96 -0.16 1.25 0.00 0.36 0.48 119.26 123.45 1bxr h ALA 311 Ca -0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1bxr h ALA 311 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bxr h ALA 311 CO 0.03 -0.13 -0.24 0.77 0.00 0.00 0.00 179.25 179.67 1bxr h SER 312 N 0.53 0.50 0.21 0.00 0.02 0.12 -2.25 113.55 112.69 1bxr h SER 312 Ca 0.35 -0.52 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 1bxr h SER 312 Cb 0.64 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1bxr h SER 312 CO -0.12 0.92 -0.34 0.11 -1.14 0.00 0.00 176.83 176.26 1bxr h LYS 313 N 0.09 0.19 -0.17 3.45 1.79 0.33 0.28 116.57 122.53 1bxr h LYS 313 Ca 0.02 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 1bxr h LYS 313 Cb 0.81 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1bxr h LYS 313 CO 0.06 0.51 -0.38 0.00 -1.08 0.00 0.00 179.45 178.55 1bxr h ALA 314 N 1.49 1.03 0.00 3.86 0.00 0.06 -3.34 119.26 122.36 1bxr h ALA 314 Ca 0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1bxr h ALA 314 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1bxr h ALA 314 CO 0.05 0.60 -1.78 0.25 0.00 0.00 0.00 179.25 178.37 1bxr n THR 315 N -4.04 0.31 -0.51 0.00 -2.24 -0.86 -4.97 114.28 101.96 1bxr n THR 315 Ca -0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1bxr n THR 315 Cb 0.48 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1bxr n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 316 N 1.80 0.74 3.50 3.38 0.00 0.08 -2.13 105.19 112.56 1bxr n GLY 316 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1bxr n GLY 316 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bxr s PHE 317 N -2.01 3.18 -1.01 1.61 2.19 -1.16 -4.71 117.98 116.08 1bxr s PHE 317 Ca 0.00 -0.29 -0.23 0.00 0.33 0.00 0.00 56.93 56.74 1bxr s PHE 317 Cb 0.00 -2.84 -0.12 0.00 -1.31 0.00 0.00 43.02 38.75 1bxr s PHE 317 CO 0.00 -0.64 1.92 -0.35 1.83 0.00 0.00 175.22 177.98 1bxr n PRO 318 N 5.55 1.53 0.02 10.12 -0.04 -1.26 -4.27 135.00 146.64 1bxr n PRO 318 Ca -0.08 -2.21 -0.03 0.00 -0.04 0.00 0.00 63.50 61.14 1bxr n PRO 318 Cb 0.48 -3.41 -0.02 0.00 -0.04 0.00 0.00 33.50 30.51 1bxr n PRO 318 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1bxr h ILE 319 N 5.51 0.00 -0.98 0.52 2.04 -1.92 -1.50 117.51 121.19 1bxr h ILE 319 Ca 0.29 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.29 1bxr h ILE 319 Cb 0.83 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1bxr h ILE 319 CO 1.51 0.00 0.62 0.00 0.00 0.00 0.00 178.15 180.28 1bxr h ALA 320 N -1.34 1.61 -0.01 1.87 0.00 -1.91 -0.15 119.26 119.33 1bxr h ALA 320 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1bxr h ALA 320 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1bxr h ALA 320 CO -0.06 0.13 -0.04 -0.22 0.00 0.00 0.00 179.25 179.06 1bxr h LYS 321 N 0.90 -0.07 0.19 0.00 3.64 -1.76 -1.50 116.57 117.98 1bxr h LYS 321 Ca 0.49 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1bxr h LYS 321 Cb 0.58 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1bxr h LYS 321 CO -0.26 -0.04 -0.09 0.28 -2.27 0.00 0.00 179.45 177.06 1bxr h VAL 322 N -0.07 0.88 -0.88 2.00 2.07 -0.46 -2.85 116.25 116.94 1bxr h VAL 322 Ca 0.02 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 67.28 1bxr h VAL 322 Cb 0.10 1.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1bxr h VAL 322 CO -0.06 0.09 0.51 0.00 0.02 0.00 0.00 177.57 178.13 1bxr h ALA 323 N 0.32 1.31 0.51 1.67 0.00 -1.04 0.15 119.26 122.18 1bxr h ALA 323 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 323 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1bxr h ALA 323 CO 0.04 0.08 -0.36 0.00 0.00 0.00 0.00 179.25 179.02 1bxr h ALA 324 N 1.51 -0.87 -0.77 0.00 0.00 -1.19 -1.22 119.26 116.72 1bxr h ALA 324 Ca 0.45 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.36 1bxr h ALA 324 Cb 0.48 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1bxr h ALA 324 CO -0.28 -1.01 0.52 0.87 0.00 0.00 0.00 179.25 179.35 1bxr h LYS 325 N -0.85 0.34 0.00 0.00 1.57 -1.16 0.16 116.57 116.63 1bxr h LYS 325 Ca -0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1bxr h LYS 325 Cb 0.71 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1bxr h LYS 325 CO 0.03 0.22 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.96 1bxr h LEU 326 N 0.35 0.00 -0.01 2.94 4.07 0.24 -1.49 115.31 121.41 1bxr h LEU 326 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1bxr h LEU 326 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1bxr h LEU 326 CO -0.11 0.10 0.00 0.00 -1.08 0.00 0.00 178.44 177.35 1bxr n ALA 327 N -2.14 2.28 -1.24 1.53 0.00 0.54 -2.79 120.51 118.68 1bxr n ALA 327 Ca 0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 1bxr n ALA 327 Cb 0.41 -1.47 0.23 0.00 0.00 0.00 0.00 19.45 18.62 1bxr n ALA 327 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1bxr n VAL 328 N -2.04 2.75 -1.00 0.00 0.24 -1.03 -4.44 118.33 112.81 1bxr n VAL 328 Ca 0.06 -2.18 -0.00 0.00 -2.04 0.00 0.00 64.34 60.18 1bxr n VAL 328 Cb 0.40 -0.35 -0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1bxr n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 329 N -0.83 0.49 3.77 7.63 0.00 -1.12 -1.03 105.19 114.11 1bxr n GLY 329 Ca 0.39 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 1bxr n GLY 329 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 330 N -1.98 2.67 0.18 1.61 2.02 -0.59 -4.55 117.35 116.70 1bxr s TYR 330 Ca 0.00 1.54 0.09 0.00 -0.37 0.00 0.00 57.07 58.34 1bxr s TYR 330 Cb 0.00 -3.14 -0.04 0.00 -0.40 0.00 0.00 41.96 38.38 1bxr s TYR 330 CO 0.00 -1.63 -0.13 0.95 -1.57 0.00 0.00 175.55 173.18 1bxr s THR 331 N -2.41 3.02 0.21 -0.71 -4.23 -1.26 -4.44 115.64 105.82 1bxr s THR 331 Ca 0.66 -1.73 -0.09 0.00 -1.18 0.00 0.00 61.69 59.35 1bxr s THR 331 Cb -0.20 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.32 1bxr s THR 331 CO 0.42 -0.11 1.74 -0.07 -0.54 0.00 0.00 174.62 176.06 1bxr h LEU 332 N 2.99 0.20 -1.81 4.79 3.38 -1.94 -0.34 115.31 122.57 1bxr h LEU 332 Ca -0.47 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1bxr h LEU 332 Cb 1.20 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1bxr h LEU 332 CO 0.53 0.11 0.06 -2.24 0.09 0.00 0.00 178.44 176.98 1bxr h ASP 333 N 0.39 0.15 -0.24 -0.43 2.03 -1.92 -2.50 116.42 113.90 1bxr h ASP 333 Ca 0.33 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.58 1bxr h ASP 333 Cb 0.43 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 1bxr h ASP 333 CO -0.34 0.14 -0.02 -0.33 -1.03 0.00 0.00 179.24 177.67 1bxr h GLU 334 N 0.18 0.44 -6.79 4.15 5.08 -1.48 -3.43 114.58 112.72 1bxr h GLU 334 Ca 0.05 -0.15 -0.51 0.00 -1.00 0.00 0.00 59.36 57.75 1bxr h GLU 334 Cb 0.03 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.28 1bxr h GLU 334 CO -0.01 0.63 0.56 -0.51 -1.00 0.00 0.00 179.01 178.68 1bxr s LEU 335 N -9.44 4.48 0.21 1.33 1.43 -0.96 -4.94 118.68 110.79 1bxr s LEU 335 Ca -0.14 2.41 -0.05 0.00 -1.03 0.00 0.00 54.13 55.33 1bxr s LEU 335 Cb 0.07 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 1bxr s LEU 335 CO 0.75 -0.34 0.46 -0.04 0.23 0.00 0.00 176.35 177.41 1bxr s MET 336 N -1.23 3.64 -0.39 1.70 -1.94 -1.26 0.12 119.30 119.94 1bxr s MET 336 Ca 0.48 -0.04 -0.29 0.00 -1.71 0.00 0.00 55.69 54.14 1bxr s MET 336 Cb -0.35 -2.75 0.02 0.00 2.01 0.00 0.00 34.83 33.76 1bxr s MET 336 CO 0.44 0.36 1.08 1.21 -0.01 0.00 0.00 175.02 178.10 1bxr s ASN 337 N -2.74 6.78 0.01 3.03 2.47 0.48 -4.43 114.94 120.54 1bxr s ASN 337 Ca 0.43 0.75 -0.01 0.00 0.42 0.00 0.00 52.86 54.44 1bxr s ASN 337 Cb -0.11 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1bxr s ASN 337 CO 0.26 -1.02 1.02 0.44 -3.72 0.00 0.00 177.10 174.08 1bxr h ASP 338 N 8.59 -0.08 -0.02 -4.21 3.32 -1.91 -0.94 116.42 121.18 1bxr h ASP 338 Ca -0.22 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1bxr h ASP 338 Cb 1.06 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1bxr h ASP 338 CO 1.06 -0.01 0.05 0.16 -1.72 0.00 0.00 179.24 178.78 1bxr h ILE 339 N -0.01 0.21 -0.65 0.35 3.07 -1.92 -2.24 117.51 116.32 1bxr h ILE 339 Ca 0.00 0.00 -0.30 0.00 1.55 0.00 0.00 64.86 66.12 1bxr h ILE 339 Cb 0.02 0.96 -0.18 0.00 -0.27 0.00 0.00 36.82 37.35 1bxr h ILE 339 CO -0.03 0.00 0.38 0.35 -1.05 0.00 0.00 178.15 177.80 1bxr n THR 340 N -3.38 2.45 -3.66 0.16 -2.24 -1.13 -3.51 114.28 102.96 1bxr n THR 340 Ca -0.02 -1.29 -0.24 0.00 -2.27 0.00 0.00 64.05 60.23 1bxr n THR 340 Cb 0.12 -0.57 0.06 0.00 -2.10 0.00 0.00 70.33 67.84 1bxr n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 341 N -0.45 -0.44 2.39 3.38 0.00 -0.84 -1.85 105.19 107.37 1bxr n GLY 341 Ca 0.38 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 1bxr n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 342 N -1.66 -0.37 0.11 -0.02 0.00 -0.37 -4.81 105.19 98.06 1bxr n GLY 342 Ca -0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1bxr n GLY 342 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bxr h ARG 343 N 0.00 0.13 -5.89 1.61 3.08 -1.55 -3.44 114.38 108.32 1bxr h ARG 343 Ca -0.24 -0.16 -0.53 0.00 0.07 0.00 0.00 59.98 59.12 1bxr h ARG 343 Cb 1.13 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 31.09 1bxr h ARG 343 CO 0.29 0.96 -0.75 0.95 -1.07 0.00 0.00 179.97 180.35 1bxr s THR 344 N -3.06 2.07 0.68 2.04 -4.23 -1.26 -5.01 115.64 106.86 1bxr s THR 344 Ca -0.02 -2.26 -0.12 0.00 -1.18 0.00 0.00 61.69 58.11 1bxr s THR 344 Cb 0.10 -2.13 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 1bxr s THR 344 CO 0.82 -0.48 1.06 -2.16 -0.54 0.00 0.00 174.62 173.32 1bxr s PRO 345 N -3.49 3.02 0.00 3.99 0.04 -1.26 0.18 135.00 137.48 1bxr s PRO 345 Ca 0.25 0.99 0.23 0.00 0.04 0.00 0.00 61.00 62.51 1bxr s PRO 345 Cb -0.03 -2.00 1.06 0.00 0.04 0.00 0.00 34.50 33.56 1bxr s PRO 345 CO 0.10 -1.03 1.73 0.00 0.04 0.00 0.00 177.00 177.84 1bxr n ALA 346 N -2.92 2.10 -2.84 8.56 0.00 0.33 -4.25 120.51 121.48 1bxr n ALA 346 Ca 0.08 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1bxr n ALA 346 Cb 0.53 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 1bxr n ALA 346 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bxr s SER 347 N -2.77 6.82 0.18 0.00 1.04 -1.14 -4.88 113.70 112.94 1bxr s SER 347 Ca 0.16 -2.40 -0.24 0.00 0.48 0.00 0.00 55.95 53.95 1bxr s SER 347 Cb 0.15 -2.45 0.06 0.00 0.10 0.00 0.00 66.02 63.88 1bxr s SER 347 CO 0.37 -1.01 0.93 0.72 0.98 0.00 0.00 173.24 175.23 1bxr s PHE 348 N 2.76 -0.13 -0.18 5.02 -0.71 -1.26 -4.95 117.98 118.53 1bxr s PHE 348 Ca 0.41 -0.21 -0.04 0.00 -1.04 0.00 0.00 56.93 56.06 1bxr s PHE 348 Cb -0.02 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 1bxr s PHE 348 CO -0.03 -0.90 -0.03 -1.21 -1.34 0.00 0.00 175.22 171.70 1bxr s GLU 349 N -3.33 3.57 0.53 1.99 2.02 -1.26 -4.85 118.70 117.36 1bxr s GLU 349 Ca 0.12 -0.56 -0.21 0.00 0.02 0.00 0.00 54.97 54.35 1bxr s GLU 349 Cb -0.02 -2.96 -0.06 0.00 0.10 0.00 0.00 34.13 31.19 1bxr s GLU 349 CO 0.03 0.07 1.20 -2.14 0.02 0.00 0.00 175.26 174.44 1bxr s PRO 350 N 0.80 3.36 -0.07 0.39 0.02 -1.26 -4.97 135.00 133.27 1bxr s PRO 350 Ca -0.01 1.82 0.01 0.00 0.02 0.00 0.00 61.00 62.84 1bxr s PRO 350 Cb -0.14 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.24 1bxr s PRO 350 CO 0.02 -0.89 -0.09 0.45 -0.33 0.00 0.00 177.00 176.15 1bxr s SER 351 N -1.47 1.63 0.01 2.53 0.15 0.63 -4.97 113.70 112.22 1bxr s SER 351 Ca 0.71 -0.25 0.09 0.00 0.70 0.00 0.00 55.95 57.19 1bxr s SER 351 Cb -0.30 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.26 1bxr s SER 351 CO 0.34 -0.02 -0.26 0.27 1.20 0.00 0.00 173.24 174.78 1bxr s ILE 352 N 0.91 2.10 -0.59 6.45 -4.36 -1.26 0.06 121.20 124.50 1bxr s ILE 352 Ca -0.10 -1.24 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 1bxr s ILE 352 Cb -0.15 -1.77 0.43 0.00 1.25 0.00 0.00 42.46 42.22 1bxr s ILE 352 CO 0.01 0.48 1.74 -0.90 0.24 0.00 0.00 174.94 176.51 1bxr n ASP 353 N 2.12 6.71 -2.72 4.36 5.68 -1.26 -4.88 116.55 126.56 1bxr n ASP 353 Ca -0.16 -3.78 -0.06 0.00 -0.50 0.00 0.00 54.79 50.28 1bxr n ASP 353 Cb 0.51 -0.79 0.02 0.00 -1.14 0.00 0.00 41.12 39.72 1bxr n ASP 353 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bxr n TYR 354 N -0.75 -1.89 -4.79 2.11 0.18 -1.26 -4.86 117.16 105.90 1bxr n TYR 354 Ca 0.54 -1.46 -0.30 0.00 1.88 0.00 0.00 57.90 58.56 1bxr n TYR 354 Cb 0.65 0.72 -0.17 0.00 -0.38 0.00 0.00 39.34 40.16 1bxr n TYR 354 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1bxr s VAL 355 N -2.18 1.81 -0.16 -3.48 1.01 0.80 -4.70 120.40 113.49 1bxr s VAL 355 Ca 0.16 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1bxr s VAL 355 Cb -0.04 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1bxr s VAL 355 CO 0.09 0.50 0.10 -0.69 0.00 0.00 0.00 175.10 175.10 1bxr s VAL 356 N 0.68 5.17 -0.06 2.92 1.01 -0.15 -2.23 120.40 127.75 1bxr s VAL 356 Ca -0.12 0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1bxr s VAL 356 Cb -0.16 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1bxr s VAL 356 CO 0.03 0.51 -0.15 -0.89 0.00 0.00 0.00 175.10 174.60 1bxr s THR 357 N -0.14 1.31 -0.05 3.92 2.01 -0.74 -0.70 115.64 121.25 1bxr s THR 357 Ca 0.09 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1bxr s THR 357 Cb -0.12 -1.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 1bxr s THR 357 CO 0.01 0.39 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.38 1bxr s LYS 358 N 0.37 2.06 -0.05 4.92 2.36 -0.27 -0.85 119.74 128.28 1bxr s LYS 358 Ca -0.10 -0.70 0.05 0.00 -2.55 0.00 0.00 55.97 52.67 1bxr s LYS 358 Cb -0.14 -1.76 -0.01 0.00 -1.05 0.00 0.00 37.83 34.88 1bxr s LYS 358 CO 0.03 0.28 -0.20 0.42 1.55 0.00 0.00 175.35 177.43 1bxr s ILE 359 N 0.01 1.67 0.68 5.43 1.01 -0.72 -1.26 121.20 128.01 1bxr s ILE 359 Ca -0.05 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 1bxr s ILE 359 Cb -0.13 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 1bxr s ILE 359 CO 0.03 0.47 1.06 -2.16 0.00 0.00 0.00 174.94 174.34 1bxr s PRO 360 N -0.09 3.02 -0.16 2.79 0.05 -1.26 -1.07 135.00 138.28 1bxr s PRO 360 Ca -0.02 0.98 -0.01 0.00 0.05 0.00 0.00 61.00 62.00 1bxr s PRO 360 Cb -0.12 -2.00 -0.01 0.00 0.05 0.00 0.00 34.50 32.43 1bxr s PRO 360 CO 0.02 -1.03 -0.13 0.50 0.05 0.00 0.00 177.00 176.41 1bxr s ARG 361 N -4.91 3.29 0.41 4.56 6.06 0.48 -4.82 118.95 124.01 1bxr s ARG 361 Ca 0.59 -0.71 0.07 0.00 -2.50 0.00 0.00 55.73 53.18 1bxr s ARG 361 Cb -0.14 -2.70 -0.05 0.00 0.06 0.00 0.00 34.95 32.12 1bxr s ARG 361 CO 0.52 0.03 0.19 -0.06 -2.50 0.00 0.00 175.30 173.48 1bxr s PHE 362 N 0.81 2.62 -0.25 5.12 0.40 -1.26 -0.50 117.98 124.92 1bxr s PHE 362 Ca -0.04 -0.56 0.22 0.00 -0.60 0.00 0.00 56.93 55.94 1bxr s PHE 362 Cb -0.15 -1.95 0.49 0.00 0.51 0.00 0.00 43.02 41.92 1bxr s PHE 362 CO 0.00 0.18 1.15 0.09 0.70 0.00 0.00 175.22 177.35 1bxr n ASN 363 N -1.25 1.25 -0.01 1.36 5.03 -1.26 -4.91 115.26 115.47 1bxr n ASN 363 Ca -0.01 -2.04 0.18 0.00 0.87 0.00 0.00 54.58 53.59 1bxr n ASN 363 Cb 0.64 -0.36 0.65 0.00 -1.02 0.00 0.00 39.78 39.69 1bxr n ASN 363 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1bxr h PHE 364 N 2.33 0.09 0.00 3.10 0.04 -1.92 -2.11 116.94 118.47 1bxr h PHE 364 Ca -0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1bxr h PHE 364 Cb 1.32 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1bxr h PHE 364 CO 0.42 0.04 0.00 1.05 -0.60 0.00 0.00 178.31 179.22 1bxr h GLU 365 N 0.08 0.00 0.00 1.51 9.09 -1.96 -0.99 114.58 122.30 1bxr h GLU 365 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 1bxr h GLU 365 Cb 0.89 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.99 1bxr h GLU 365 CO -0.02 0.00 -0.59 1.63 0.05 0.00 0.00 179.01 180.08 1bxr n LYS 366 N -2.86 0.10 -3.32 1.06 5.02 -0.79 -4.44 118.16 112.93 1bxr n LYS 366 Ca -0.02 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1bxr n LYS 366 Cb 0.10 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1bxr n LYS 366 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1bxr n PHE 367 N -1.70 2.01 0.00 2.13 3.72 -0.38 -5.01 117.46 118.24 1bxr n PHE 367 Ca 0.05 -3.91 0.00 0.00 -0.05 0.00 0.00 57.45 53.53 1bxr n PHE 367 Cb 0.37 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 1bxr n PHE 367 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bxr n ALA 368 N 1.06 0.00 0.28 4.37 0.00 -1.25 -1.71 120.51 123.25 1bxr n ALA 368 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1bxr n ALA 368 Cb 0.46 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1bxr n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 369 N -0.97 0.16 3.90 0.00 0.00 -1.26 -4.80 105.19 102.23 1bxr n GLY 369 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1bxr n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 370 N -1.30 3.39 -0.29 4.61 0.00 -0.70 -4.23 121.76 123.25 1bxr s ALA 370 Ca 0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.23 1bxr s ALA 370 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1bxr s ALA 370 CO 0.00 -0.30 0.97 1.21 0.00 0.00 0.00 175.76 177.65 1bxr s ASN 371 N -3.96 6.89 -0.22 0.00 3.84 -1.26 -4.90 114.94 115.33 1bxr s ASN 371 Ca 0.48 1.02 0.15 0.00 0.21 0.00 0.00 52.86 54.72 1bxr s ASN 371 Cb -0.10 -2.50 0.78 0.00 -0.55 0.00 0.00 41.25 38.88 1bxr s ASN 371 CO 0.43 -0.73 1.70 -0.90 -2.79 0.00 0.00 177.10 174.81 1bxr n ASP 372 N 6.50 5.43 -4.84 -4.21 5.68 -1.26 -4.91 116.55 118.95 1bxr n ASP 372 Ca 0.09 -2.92 -0.38 0.00 -0.50 0.00 0.00 54.79 51.08 1bxr n ASP 372 Cb 0.47 -0.66 -0.06 0.00 -1.14 0.00 0.00 41.12 39.73 1bxr n ASP 372 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1bxr s ARG 373 N -2.73 3.93 0.25 0.11 1.81 -1.26 -4.10 118.95 116.96 1bxr s ARG 373 Ca 0.53 0.42 -0.30 0.00 -1.72 0.00 0.00 55.73 54.67 1bxr s ARG 373 Cb 0.40 -3.21 -0.09 0.00 -0.45 0.00 0.00 34.95 31.60 1bxr s ARG 373 CO 0.15 0.68 1.05 -0.51 -0.68 0.00 0.00 175.30 175.99 1bxr s LEU 374 N -1.12 4.58 0.00 2.53 1.43 -0.43 -4.99 118.68 120.67 1bxr s LEU 374 Ca 0.25 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1bxr s LEU 374 Cb -0.17 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1bxr s LEU 374 CO 0.14 -0.05 0.00 1.07 0.23 0.00 0.00 176.35 177.74 1bxr n THR 375 N 1.45 0.00 1.29 5.49 5.66 -1.26 -4.83 114.28 122.08 1bxr n THR 375 Ca -0.01 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.13 1bxr n THR 375 Cb 0.46 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.74 1bxr n THR 375 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1bxr n THR 376 N 0.00 0.00 -4.29 1.09 -2.24 -1.23 0.29 114.28 107.90 1bxr n THR 376 Ca 0.00 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.36 1bxr n THR 376 Cb 0.00 0.08 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 1bxr n THR 376 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bxr s GLN 377 N -2.56 3.56 0.45 -0.78 0.74 -1.26 -4.26 119.66 115.56 1bxr s GLN 377 Ca 0.25 -0.44 -0.25 0.00 0.05 0.00 0.00 55.36 54.97 1bxr s GLN 377 Cb 0.19 -2.96 -0.08 0.00 1.10 0.00 0.00 33.01 31.26 1bxr s GLN 377 CO 0.51 0.38 1.43 -1.64 -0.55 0.00 0.00 175.29 175.43 1bxr s MET 378 N 0.01 3.67 0.00 1.67 -1.94 -0.42 -4.87 119.30 117.42 1bxr s MET 378 Ca 0.03 2.43 0.00 0.00 -1.71 0.00 0.00 55.69 56.44 1bxr s MET 378 Cb -0.13 -2.65 0.00 0.00 2.01 0.00 0.00 34.83 34.06 1bxr s MET 378 CO 0.02 -0.83 0.03 1.63 -0.01 0.00 0.00 175.02 175.86 1bxr n LYS 379 N -0.21 2.15 -1.88 2.03 5.02 -1.26 -4.85 118.16 119.15 1bxr n LYS 379 Ca 0.05 -0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 1bxr n LYS 379 Cb 0.42 -0.25 0.01 0.00 -0.02 0.00 0.00 35.03 35.19 1bxr n LYS 379 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bxr s SER 380 N -0.31 6.13 -0.01 4.39 1.04 -1.26 -4.69 113.70 118.99 1bxr s SER 380 Ca 0.00 1.38 0.08 0.00 0.48 0.00 0.00 55.95 57.88 1bxr s SER 380 Cb 0.00 -2.40 -0.11 0.00 0.10 0.00 0.00 66.02 63.62 1bxr s SER 380 CO 0.00 -0.93 0.23 1.33 0.98 0.00 0.00 173.24 174.86 1bxr n VAL 381 N -2.78 0.00 -2.71 5.02 0.24 0.35 -4.30 118.33 114.14 1bxr n VAL 381 Ca 0.06 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1bxr n VAL 381 Cb 0.54 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1bxr n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 382 N 1.70 2.42 3.55 7.63 0.00 -0.84 -4.42 105.19 115.23 1bxr n GLY 382 Ca -0.00 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1bxr n GLY 382 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bxr s GLU 383 N -1.01 0.79 0.23 1.61 -1.05 -1.26 -0.39 118.70 117.62 1bxr s GLU 383 Ca 0.00 0.19 0.11 0.00 -0.15 0.00 0.00 54.97 55.12 1bxr s GLU 383 Cb 0.00 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1bxr s GLU 383 CO 0.00 -0.25 -0.18 0.54 0.95 0.00 0.00 175.26 176.33 1bxr s VAL 384 N -1.14 2.64 0.03 1.83 0.11 -0.23 -4.25 120.40 119.40 1bxr s VAL 384 Ca -0.06 -2.09 0.03 0.00 -2.93 0.00 0.00 61.98 56.93 1bxr s VAL 384 Cb -0.00 -2.33 -0.02 0.00 -1.53 0.00 0.00 36.38 32.49 1bxr s VAL 384 CO 0.05 -0.24 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.18 1bxr s MET 385 N -3.09 0.57 0.03 1.54 0.00 -0.73 -1.76 119.30 115.86 1bxr s MET 385 Ca 0.26 -0.65 -0.01 0.00 0.00 0.00 0.00 55.69 55.28 1bxr s MET 385 Cb -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 34.83 34.32 1bxr s MET 385 CO 0.13 0.09 -0.00 0.00 0.00 0.00 0.00 175.02 175.24 1bxr s ALA 386 N -1.06 0.19 -0.06 4.11 0.00 -0.03 -4.81 121.76 120.11 1bxr s ALA 386 Ca -0.06 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.20 1bxr s ALA 386 Cb -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 1bxr s ALA 386 CO 0.00 -0.25 -0.22 0.42 0.00 0.00 0.00 175.76 175.72 1bxr s ILE 387 N -2.38 1.81 0.07 0.00 1.01 -1.26 -1.79 121.20 118.66 1bxr s ILE 387 Ca -0.07 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 1bxr s ILE 387 Cb -0.03 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1bxr s ILE 387 CO -0.04 0.51 0.31 -0.83 0.00 0.00 0.00 174.94 174.89 1bxr s GLY 388 N -0.02 -0.12 0.50 6.18 0.00 -0.94 -4.69 107.32 108.24 1bxr s GLY 388 Ca -0.06 -0.11 0.29 0.00 0.00 0.00 0.00 44.72 44.85 1bxr s GLY 388 CO 0.04 -0.33 1.96 3.21 0.00 0.00 0.00 173.10 177.98 1bxr h ARG 389 N 2.94 0.00 -5.44 2.90 2.47 -1.88 0.23 114.38 115.60 1bxr h ARG 389 Ca -0.33 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 57.96 1bxr h ARG 389 Cb 1.21 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.39 1bxr h ARG 389 CO 0.48 0.12 -0.71 0.95 0.56 0.00 0.00 179.97 181.37 1bxr s THR 390 N -3.81 1.57 0.21 2.04 -4.23 -1.26 -4.41 115.64 105.75 1bxr s THR 390 Ca -0.00 -2.16 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 1bxr s THR 390 Cb 0.11 -2.12 0.14 0.00 1.34 0.00 0.00 72.50 71.97 1bxr s THR 390 CO 0.58 -0.54 1.78 -0.61 -0.54 0.00 0.00 174.62 175.30 1bxr h GLN 391 N 2.53 1.13 -0.39 3.99 5.75 -1.90 0.36 115.11 126.58 1bxr h GLN 391 Ca -0.38 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 57.90 1bxr h GLN 391 Cb 1.22 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 1bxr h GLN 391 CO 0.63 0.91 0.15 1.96 -2.65 0.00 0.00 178.83 179.84 1bxr h GLN 392 N 1.09 0.59 -0.14 1.69 4.20 -1.94 0.19 115.11 120.79 1bxr h GLN 392 Ca 0.26 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1bxr h GLN 392 Cb 0.18 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1bxr h GLN 392 CO -0.02 0.56 0.07 1.49 -0.67 0.00 0.00 178.83 180.26 1bxr h GLU 393 N 0.49 0.19 -0.02 1.46 4.81 -1.55 -1.90 114.58 118.05 1bxr h GLU 393 Ca 0.13 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1bxr h GLU 393 Cb 0.19 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1bxr h GLU 393 CO -0.01 0.22 -0.13 1.03 -0.73 0.00 0.00 179.01 179.39 1bxr h SER 394 N 0.12 -0.39 -0.13 1.04 0.87 0.29 -2.58 113.55 112.76 1bxr h SER 394 Ca 0.05 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1bxr h SER 394 Cb 0.08 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1bxr h SER 394 CO -0.01 -0.19 0.08 0.25 -0.53 0.00 0.00 176.83 176.43 1bxr h LEU 395 N -0.21 0.15 -0.82 2.23 5.85 -0.61 -2.19 115.31 119.70 1bxr h LEU 395 Ca 0.05 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1bxr h LEU 395 Cb 0.29 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1bxr h LEU 395 CO -0.15 0.15 0.48 1.56 -0.34 0.00 0.00 178.44 180.14 1bxr h GLN 396 N 0.14 1.13 -0.58 1.25 4.20 -1.31 -0.50 115.11 119.43 1bxr h GLN 396 Ca 0.05 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1bxr h GLN 396 Cb 0.03 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1bxr h GLN 396 CO -0.01 0.81 0.32 0.87 -0.67 0.00 0.00 178.83 180.15 1bxr h LYS 397 N 1.13 0.81 -0.65 1.46 1.57 -1.31 -1.10 116.57 118.47 1bxr h LYS 397 Ca 0.29 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1bxr h LYS 397 Cb -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1bxr h LYS 397 CO -0.05 0.62 0.39 0.00 -0.57 0.00 0.00 179.45 179.84 1bxr h ALA 398 N 1.15 0.83 -0.44 3.86 0.00 -1.01 0.49 119.26 124.15 1bxr h ALA 398 Ca 0.20 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1bxr h ALA 398 Cb 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1bxr h ALA 398 CO -0.03 0.31 0.18 -0.07 0.00 0.00 0.00 179.25 179.64 1bxr h LEU 399 N 0.89 0.23 -0.08 0.00 3.38 -0.53 -0.81 115.31 118.38 1bxr h LEU 399 Ca 0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1bxr h LEU 399 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1bxr h LEU 399 CO -0.04 0.17 0.00 0.08 0.09 0.00 0.00 178.44 178.74 1bxr h ARG 400 N 0.37 0.00 -0.00 1.13 0.11 -0.67 -3.10 114.38 112.22 1bxr h ARG 400 Ca 0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 1bxr h ARG 400 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1bxr h ARG 400 CO -0.18 0.00 -0.25 0.41 0.10 0.00 0.00 179.97 180.05 1bxr n GLY 401 N 1.15 -1.33 0.21 0.08 0.00 0.17 -4.03 105.19 101.43 1bxr n GLY 401 Ca 0.05 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1bxr n GLY 401 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bxr h LEU 402 N 0.05 0.00 -1.61 0.99 5.85 -1.21 -3.41 115.31 115.98 1bxr h LEU 402 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1bxr h LEU 402 Cb 0.49 0.00 0.11 0.00 0.37 0.00 0.00 40.66 41.63 1bxr h LEU 402 CO 0.00 0.31 -0.51 -0.62 -0.34 0.00 0.00 178.44 177.27 1bxr n GLU 403 N -3.73 -4.69 -0.05 1.25 -0.58 -1.26 -4.70 120.64 106.89 1bxr n GLU 403 Ca -0.01 0.58 0.06 0.00 -0.42 0.00 0.00 57.16 57.36 1bxr n GLU 403 Cb 0.41 -4.80 0.09 0.00 -0.57 0.00 0.00 31.44 26.57 1bxr n GLU 403 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1bxr n VAL 404 N -3.33 1.53 -0.39 2.62 0.24 -1.26 -4.95 118.33 112.80 1bxr n VAL 404 Ca -0.16 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.40 1bxr n VAL 404 Cb 0.60 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1bxr n VAL 404 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxr n GLY 405 N -1.02 0.76 3.82 7.63 0.00 -1.26 -5.07 105.19 110.05 1bxr n GLY 405 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1bxr n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr s ALA 406 N -2.81 3.17 -0.60 4.61 0.00 -1.26 -4.92 121.76 119.94 1bxr s ALA 406 Ca 0.00 0.32 0.16 0.00 0.00 0.00 0.00 51.96 52.43 1bxr s ALA 406 Cb 0.00 -3.04 -0.18 0.00 0.00 0.00 0.00 23.12 19.90 1bxr s ALA 406 CO 0.00 0.20 0.60 0.25 0.00 0.00 0.00 175.76 176.82 1bxr n THR 407 N -0.26 0.00 0.00 0.00 -2.24 -1.26 -4.50 114.28 106.02 1bxr n THR 407 Ca 0.05 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1bxr n THR 407 Cb 0.53 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1bxr n THR 407 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 408 N 1.41 -0.27 2.10 3.38 0.00 -1.26 -4.39 105.19 106.15 1bxr n GLY 408 Ca 0.02 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1bxr n GLY 408 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bxr n PHE 409 N 0.00 0.69 -1.77 1.61 3.72 -1.26 -4.88 117.46 115.57 1bxr n PHE 409 Ca 0.00 -1.92 -0.41 0.00 -0.05 0.00 0.00 57.45 55.07 1bxr n PHE 409 Cb 0.00 -1.81 0.00 0.00 -0.94 0.00 0.00 39.48 36.74 1bxr n PHE 409 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1bxr n ASP 410 N 2.68 3.70 -4.77 4.37 9.92 -1.26 -4.92 116.55 126.27 1bxr n ASP 410 Ca 0.52 1.20 -0.38 0.00 -0.53 0.00 0.00 54.79 55.61 1bxr n ASP 410 Cb 0.73 -1.62 -0.01 0.00 -0.64 0.00 0.00 41.12 39.58 1bxr n ASP 410 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1bxr s PRO 411 N -2.20 3.81 -0.24 -0.24 0.04 -1.26 -4.90 135.00 130.01 1bxr s PRO 411 Ca 0.55 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.45 1bxr s PRO 411 Cb -0.47 -2.49 -0.15 0.00 0.04 0.00 0.00 34.50 31.43 1bxr s PRO 411 CO 0.62 -0.53 -0.21 1.17 0.04 0.00 0.00 177.00 178.09 1bxr n LYS 412 N -0.33 0.59 -4.20 4.56 3.00 -1.26 -5.01 118.16 115.51 1bxr n LYS 412 Ca 0.06 0.14 -0.24 0.00 -0.00 0.00 0.00 58.31 58.28 1bxr n LYS 412 Cb 0.47 -1.47 -0.07 0.00 0.00 0.00 0.00 35.03 33.95 1bxr n LYS 412 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1bxr s VAL 413 N -2.48 2.87 0.28 3.15 -7.23 -1.26 -5.12 120.40 110.61 1bxr s VAL 413 Ca -0.32 -1.81 -0.14 0.00 -1.81 0.00 0.00 61.98 57.90 1bxr s VAL 413 Cb 0.08 -2.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 1bxr s VAL 413 CO 0.55 -0.19 0.68 -0.55 -0.31 0.00 0.00 175.10 175.27 1bxr s SER 414 N -3.79 6.77 0.39 4.85 0.15 -1.26 -4.97 113.70 115.84 1bxr s SER 414 Ca 0.36 1.19 0.18 0.00 0.70 0.00 0.00 55.95 58.38 1bxr s SER 414 Cb -0.02 -2.34 0.77 0.00 -1.71 0.00 0.00 66.02 62.73 1bxr s SER 414 CO 0.21 -0.13 1.80 -0.07 1.20 0.00 0.00 173.24 176.25 1bxr h LEU 415 N 2.54 0.00 -4.10 3.45 3.38 -1.99 -3.13 115.31 115.45 1bxr h LEU 415 Ca -0.48 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.84 1bxr h LEU 415 Cb 1.18 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.60 1bxr h LEU 415 CO 0.66 0.36 0.39 -0.90 0.09 0.00 0.00 178.44 179.05 1bxr n ASP 416 N -3.72 6.83 -4.04 -0.43 5.68 -1.26 -4.88 116.55 114.74 1bxr n ASP 416 Ca -0.01 -3.78 -0.32 0.00 -0.50 0.00 0.00 54.79 50.18 1bxr n ASP 416 Cb 0.45 -0.80 -0.15 0.00 -1.14 0.00 0.00 41.12 39.48 1bxr n ASP 416 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1bxr s ASP 417 N -2.26 4.21 0.39 -1.12 2.15 -1.18 -4.99 116.67 113.86 1bxr s ASP 417 Ca 0.59 -1.30 0.16 0.00 0.43 0.00 0.00 52.55 52.44 1bxr s ASP 417 Cb 0.47 -1.44 1.04 0.00 -0.30 0.00 0.00 42.92 42.69 1bxr s ASP 417 CO -0.06 -0.19 1.79 1.55 -0.17 0.00 0.00 175.17 178.08 1bxr h PRO 418 N 7.83 0.44 -0.01 4.34 0.14 -1.90 0.57 132.00 143.41 1bxr h PRO 418 Ca -0.20 -0.03 0.00 0.00 0.14 0.00 0.00 66.00 65.91 1bxr h PRO 418 Cb 1.05 -0.10 0.00 0.00 0.14 0.00 0.00 31.00 32.09 1bxr h PRO 418 CO 0.46 0.29 -0.09 0.39 0.14 0.00 0.00 178.00 179.18 1bxr n GLU 419 N -4.62 1.13 -0.30 0.86 1.02 -1.26 -4.33 120.64 113.14 1bxr n GLU 419 Ca 0.24 -0.54 0.06 0.00 -0.02 0.00 0.00 57.16 56.90 1bxr n GLU 419 Cb 0.79 -1.49 0.21 0.00 -0.02 0.00 0.00 31.44 30.94 1bxr n GLU 419 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bxr h ALA 420 N 3.95 1.26 0.00 0.62 0.00 -0.17 -1.31 119.26 123.62 1bxr h ALA 420 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 420 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1bxr h ALA 420 CO 0.00 -0.04 -0.36 -0.07 0.00 0.00 0.00 179.25 178.79 1bxr h LEU 421 N 0.67 0.00 -0.17 0.00 3.38 -1.76 -2.16 115.31 115.27 1bxr h LEU 421 Ca 0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.31 1bxr h LEU 421 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1bxr h LEU 421 CO -0.33 0.36 -0.33 0.74 0.09 0.00 0.00 178.44 178.97 1bxr h THR 422 N 0.00 1.34 -0.67 0.22 2.02 -1.55 -0.30 112.91 113.96 1bxr h THR 422 Ca -0.00 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.58 1bxr h THR 422 Cb 0.73 1.92 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 1bxr h THR 422 CO 0.05 0.48 0.29 0.11 0.37 0.00 0.00 175.52 176.81 1bxr h LYS 423 N 0.18 0.99 -0.21 6.66 1.57 -1.26 -1.79 116.57 122.71 1bxr h LYS 423 Ca 0.01 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1bxr h LYS 423 Cb 0.92 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1bxr h LYS 423 CO 0.07 0.81 0.09 0.82 -0.57 0.00 0.00 179.45 180.68 1bxr h ILE 424 N 0.95 0.97 -0.36 1.86 2.04 -1.36 -1.25 117.51 120.36 1bxr h ILE 424 Ca 0.23 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.10 1bxr h ILE 424 Cb 0.18 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1bxr h ILE 424 CO -0.02 0.04 -0.19 -0.09 0.00 0.00 0.00 178.15 177.89 1bxr h ARG 425 N 0.20 -0.13 -0.03 2.37 2.43 -0.45 0.03 114.38 118.81 1bxr h ARG 425 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1bxr h ARG 425 Cb 0.04 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1bxr h ARG 425 CO -0.08 -0.08 0.00 -0.09 -1.51 0.00 0.00 179.97 178.21 1bxr h ARG 426 N -0.13 0.01 0.00 0.20 1.12 -1.04 0.14 114.38 114.69 1bxr h ARG 426 Ca 0.18 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 1bxr h ARG 426 Cb 0.41 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1bxr h ARG 426 CO -0.44 0.01 -0.03 0.93 -3.11 0.00 0.00 179.97 177.33 1bxr h GLU 427 N 0.01 0.00 0.16 0.20 4.39 -0.39 0.11 114.58 119.07 1bxr h GLU 427 Ca 0.01 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.41 1bxr h GLU 427 Cb 0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1bxr h GLU 427 CO -0.02 0.03 -1.51 -0.07 -1.16 0.00 0.00 179.01 176.28 1bxr h LEU 428 N 0.00 0.54 -0.40 1.33 4.07 -0.37 -3.31 115.31 117.18 1bxr h LEU 428 Ca -0.00 -0.91 -0.03 0.00 0.08 0.00 0.00 57.88 57.03 1bxr h LEU 428 Cb 0.08 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 1bxr h LEU 428 CO 0.00 1.68 0.15 0.50 -1.08 0.00 0.00 178.44 179.69 1bxr h LYS 429 N -0.09 0.60 -3.73 1.13 3.64 -0.25 -3.38 116.57 114.49 1bxr h LYS 429 Ca -0.30 -0.11 -0.64 0.00 -1.27 0.00 0.00 60.65 58.33 1bxr h LYS 429 Cb 1.94 -0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 33.26 1bxr h LYS 429 CO 0.14 0.58 -0.68 -0.51 -2.27 0.00 0.00 179.45 176.70 1bxr s ASP 430 N -5.87 4.32 0.19 4.20 1.01 0.35 -4.90 116.67 115.97 1bxr s ASP 430 Ca -0.13 -2.59 -0.33 0.00 0.71 0.00 0.00 52.55 50.22 1bxr s ASP 430 Cb 0.10 -1.48 -0.15 0.00 1.01 0.00 0.00 42.92 42.40 1bxr s ASP 430 CO 0.75 -0.30 1.32 0.00 0.21 0.00 0.00 175.17 177.16 1bxr n ALA 431 N 3.66 0.19 -4.66 5.23 0.00 -1.24 -4.53 120.51 119.15 1bxr n ALA 431 Ca 0.05 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.65 1bxr n ALA 431 Cb 0.36 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 1bxr n ALA 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 432 N 2.25 3.63 0.24 0.00 0.00 -1.26 -1.32 105.19 108.74 1bxr n GLY 432 Ca 0.14 -2.35 0.16 0.00 0.00 0.00 0.00 46.02 43.97 1bxr n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxr h ALA 433 N 1.24 1.00 -0.01 4.61 0.00 -1.96 -2.91 119.26 121.24 1bxr h ALA 433 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bxr h ALA 433 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bxr h ALA 433 CO 0.61 0.00 -0.08 -0.25 0.00 0.00 0.00 179.25 179.53 1bxr n ASP 434 N -2.87 0.75 -0.33 0.00 8.00 -1.26 -4.62 116.55 116.21 1bxr n ASP 434 Ca 0.01 -0.95 0.03 0.00 0.71 0.00 0.00 54.79 54.59 1bxr n ASP 434 Cb 0.28 -0.01 0.10 0.00 -0.02 0.00 0.00 41.12 41.47 1bxr n ASP 434 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1bxr h ARG 435 N 1.05 -0.01 -0.98 -1.24 2.43 -1.79 -2.31 114.38 111.52 1bxr h ARG 435 Ca 0.00 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 1bxr h ARG 435 Cb 0.36 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.82 1bxr h ARG 435 CO 0.00 -0.01 0.61 0.97 -1.51 0.00 0.00 179.97 180.04 1bxr h ILE 436 N -0.01 0.76 -0.02 1.20 6.09 -1.88 0.80 117.51 124.44 1bxr h ILE 436 Ca 0.41 -0.26 -0.18 0.00 -1.37 0.00 0.00 64.86 63.46 1bxr h ILE 436 Cb 0.65 -0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.86 1bxr h ILE 436 CO -0.94 0.14 -0.80 -0.50 -3.07 0.00 0.00 178.15 172.98 1bxr h TRP 437 N 0.76 0.28 -0.01 2.19 6.55 -1.76 -3.05 115.95 120.92 1bxr h TRP 437 Ca 0.54 -0.14 -0.12 0.00 0.95 0.00 0.00 58.89 60.12 1bxr h TRP 437 Cb 0.83 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 29.08 1bxr h TRP 437 CO -0.00 0.91 -0.55 1.88 -1.05 0.00 0.00 178.44 179.63 1bxr h TYR 438 N 0.12 0.02 -0.29 0.49 0.05 -1.00 -2.28 116.97 114.08 1bxr h TYR 438 Ca -0.03 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 1bxr h TYR 438 Cb 1.39 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.11 1bxr h TYR 438 CO 0.03 0.56 -0.16 0.82 -1.05 0.00 0.00 178.16 178.36 1bxr h ILE 439 N 0.01 1.24 -0.28 -2.88 2.04 -0.81 0.91 117.51 117.74 1bxr h ILE 439 Ca -0.00 -1.10 -0.18 0.00 1.00 0.00 0.00 64.86 64.58 1bxr h ILE 439 Cb 0.97 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1bxr h ILE 439 CO 0.07 0.36 -0.53 0.00 0.00 0.00 0.00 178.15 178.05 1bxr h ALA 440 N 1.37 0.52 -0.02 1.87 0.00 -1.42 -2.80 119.26 118.78 1bxr h ALA 440 Ca 0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1bxr h ALA 440 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bxr h ALA 440 CO 0.04 0.68 -0.09 -0.44 0.00 0.00 0.00 179.25 179.44 1bxr h ASP 441 N 0.64 0.03 -0.42 0.00 3.32 -0.82 -1.03 116.42 118.14 1bxr h ASP 441 Ca 0.02 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1bxr h ASP 441 Cb 1.13 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1bxr h ASP 441 CO 0.12 0.13 -0.24 0.00 -1.72 0.00 0.00 179.24 177.53 1bxr h ALA 442 N 1.88 0.73 -0.51 3.45 0.00 -0.61 -0.52 119.26 123.67 1bxr h ALA 442 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1bxr h ALA 442 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1bxr h ALA 442 CO 0.01 0.67 -0.17 0.74 0.00 0.00 0.00 179.25 180.50 1bxr h PHE 443 N 0.80 1.15 -0.07 0.00 0.04 -0.98 -1.53 116.94 116.35 1bxr h PHE 443 Ca 0.10 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 1bxr h PHE 443 Cb 0.80 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1bxr h PHE 443 CO 0.05 1.09 -0.12 0.00 -0.60 0.00 0.00 178.31 178.72 1bxr h ARG 444 N 0.88 0.11 -0.00 1.51 3.08 -1.08 -2.73 114.38 116.15 1bxr h ARG 444 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1bxr h ARG 444 Cb 0.75 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1bxr h ARG 444 CO 0.06 0.24 -0.14 0.00 -1.07 0.00 0.00 179.97 179.05 1bxr n ALA 445 N -2.50 2.73 0.00 0.04 0.00 -0.22 -4.94 120.51 115.62 1bxr n ALA 445 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1bxr n ALA 445 Cb 0.23 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1bxr n ALA 445 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 446 N 1.43 1.02 3.80 0.00 0.00 -0.98 -5.04 105.19 105.41 1bxr n GLY 446 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1bxr n GLY 446 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 447 N 0.00 4.44 0.77 0.99 1.43 -0.61 -5.04 118.68 120.65 1bxr s LEU 447 Ca 0.00 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1bxr s LEU 447 Cb 0.00 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.84 1bxr s LEU 447 CO 0.00 0.11 1.13 -0.94 0.23 0.00 0.00 176.35 176.88 1bxr s SER 448 N -1.44 4.82 0.16 2.29 1.04 -1.26 -4.42 113.70 114.88 1bxr s SER 448 Ca 0.40 0.84 -0.14 0.00 0.48 0.00 0.00 55.95 57.53 1bxr s SER 448 Cb -0.19 -1.45 0.04 0.00 0.10 0.00 0.00 66.02 64.52 1bxr s SER 448 CO 0.22 -1.70 1.74 0.58 0.98 0.00 0.00 173.24 175.06 1bxr h VAL 449 N -0.88 1.19 -0.55 5.02 2.07 -1.97 -0.86 116.25 120.26 1bxr h VAL 449 Ca -0.46 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 66.57 1bxr h VAL 449 Cb 1.31 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1bxr h VAL 449 CO 0.65 0.21 0.33 0.44 0.02 0.00 0.00 177.57 179.21 1bxr h ASP 450 N 0.65 0.52 -0.60 0.57 3.32 -1.98 0.56 116.42 119.46 1bxr h ASP 450 Ca 0.17 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.27 1bxr h ASP 450 Cb 0.10 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1bxr h ASP 450 CO -0.02 0.36 0.35 1.23 -1.72 0.00 0.00 179.24 179.44 1bxr h GLY 451 N 0.64 0.86 0.98 2.75 0.00 -1.82 0.10 103.07 106.58 1bxr h GLY 451 Ca 0.23 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1bxr h GLY 451 CO -0.11 0.19 -0.09 -2.08 0.00 0.00 0.00 176.54 174.45 1bxr h VAL 452 N 0.67 1.27 -0.66 4.60 2.07 -0.06 -3.03 116.25 121.12 1bxr h VAL 452 Ca 0.25 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1bxr h VAL 452 Cb 0.08 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1bxr h VAL 452 CO -0.13 0.39 0.37 0.15 0.02 0.00 0.00 177.57 178.38 1bxr h PHE 453 N 0.58 0.69 -0.98 1.57 3.04 0.51 0.64 116.94 122.99 1bxr h PHE 453 Ca 0.10 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.14 1bxr h PHE 453 Cb 0.61 -0.21 -0.07 0.00 2.56 0.00 0.00 35.95 38.84 1bxr h PHE 453 CO 0.05 0.35 0.64 -0.91 -2.02 0.00 0.00 178.31 176.41 1bxr h ASN 454 N 0.70 1.01 0.28 0.41 2.35 -0.87 0.88 115.58 120.35 1bxr h ASN 454 Ca 0.29 0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 55.76 1bxr h ASN 454 Cb 0.14 -0.21 0.02 0.00 0.05 0.00 0.00 38.32 38.32 1bxr h ASN 454 CO -0.16 0.65 -1.21 -0.07 -1.65 0.00 0.00 177.43 174.98 1bxr h LEU 455 N 1.15 0.73 0.00 1.61 3.38 -1.33 -3.39 115.31 117.45 1bxr h LEU 455 Ca 0.42 -0.68 -0.35 0.00 0.09 0.00 0.00 57.88 57.36 1bxr h LEU 455 Cb 0.17 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1bxr h LEU 455 CO -0.17 1.50 -2.26 0.35 0.09 0.00 0.00 178.44 177.95 1bxr n THR 456 N -3.73 1.42 -0.96 0.22 -2.24 0.16 -4.21 114.28 104.95 1bxr n THR 456 Ca -0.12 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 1bxr n THR 456 Cb 0.98 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1bxr n THR 456 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bxr n ASN 457 N -2.80 -3.20 -4.71 3.42 4.13 0.30 -4.68 115.26 107.72 1bxr n ASN 457 Ca -0.30 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.54 1bxr n ASN 457 Cb 1.14 -1.46 -0.03 0.00 -1.54 0.00 0.00 39.78 37.88 1bxr n ASN 457 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1bxr s ILE 458 N -1.91 4.85 0.21 2.41 1.01 -1.26 -4.66 121.20 121.84 1bxr s ILE 458 Ca 0.00 2.03 -0.32 0.00 0.00 0.00 0.00 60.65 62.36 1bxr s ILE 458 Cb 0.00 -4.31 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 1bxr s ILE 458 CO 0.00 0.18 1.31 -0.67 0.00 0.00 0.00 174.94 175.75 1bxr n ASP 459 N 3.79 2.13 0.28 3.58 -0.08 -1.26 -4.70 116.55 120.29 1bxr n ASP 459 Ca 0.05 1.14 0.17 0.00 -1.51 0.00 0.00 54.79 54.64 1bxr n ASP 459 Cb 0.51 -1.33 0.93 0.00 2.34 0.00 0.00 41.12 43.56 1bxr n ASP 459 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1bxr h ARG 460 N 3.90 0.00 -0.93 -0.67 3.08 -1.95 -0.13 114.38 117.68 1bxr h ARG 460 Ca -0.44 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.75 1bxr h ARG 460 Cb 1.31 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.28 1bxr h ARG 460 CO 0.74 0.00 0.59 2.35 -1.07 0.00 0.00 179.97 182.58 1bxr h TRP 461 N 0.00 0.91 0.13 3.04 7.01 -2.01 -1.67 115.95 123.35 1bxr h TRP 461 Ca 0.03 0.03 -0.18 0.00 2.11 0.00 0.00 58.89 60.88 1bxr h TRP 461 Cb 0.17 -0.28 0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1bxr h TRP 461 CO 0.00 0.32 -0.79 0.74 -2.79 0.00 0.00 178.44 175.92 1bxr h PHE 462 N 0.75 0.50 -0.35 2.65 0.04 -1.37 -3.37 116.94 115.78 1bxr h PHE 462 Ca 0.48 -0.36 0.07 0.00 2.80 0.00 0.00 57.97 60.95 1bxr h PHE 462 Cb 0.72 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.79 1bxr h PHE 462 CO -0.00 1.30 -0.03 -0.07 -0.60 0.00 0.00 178.31 178.91 1bxr h LEU 463 N -0.42 -0.20 -2.09 1.54 3.38 -1.19 -1.18 115.31 115.15 1bxr h LEU 463 Ca -0.14 0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1bxr h LEU 463 Cb 1.60 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 1bxr h LEU 463 CO 0.13 -0.06 0.10 -0.37 0.09 0.00 0.00 178.44 178.33 1bxr h VAL 464 N 0.07 0.83 -0.38 1.22 -1.51 -1.50 -0.69 116.25 114.29 1bxr h VAL 464 Ca 0.17 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.53 1bxr h VAL 464 Cb 0.25 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1bxr h VAL 464 CO -0.31 0.00 -0.21 1.56 -1.23 0.00 0.00 177.57 177.37 1bxr h GLN 465 N 0.00 0.81 -0.21 5.19 4.20 -1.38 -1.08 115.11 122.64 1bxr h GLN 465 Ca 0.06 -0.37 -0.13 0.00 0.06 0.00 0.00 58.65 58.27 1bxr h GLN 465 Cb 0.25 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1bxr h GLN 465 CO -0.00 1.00 -0.43 0.82 -0.67 0.00 0.00 178.83 179.55 1bxr h ILE 466 N 0.61 1.31 -0.39 2.54 2.04 -0.88 -2.82 117.51 119.93 1bxr h ILE 466 Ca 0.08 -1.61 -0.08 0.00 1.00 0.00 0.00 64.86 64.25 1bxr h ILE 466 Cb 0.77 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1bxr h ILE 466 CO 0.06 0.50 -0.07 -0.08 0.00 0.00 0.00 178.15 178.56 1bxr h GLU 467 N 0.42 0.66 -0.37 2.37 4.81 -0.92 -2.42 114.58 119.13 1bxr h GLU 467 Ca 0.03 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 1bxr h GLU 467 Cb 0.93 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1bxr h GLU 467 CO 0.08 0.73 -0.12 1.49 -0.73 0.00 0.00 179.01 180.47 1bxr h GLU 468 N 0.61 0.64 -0.07 1.92 4.81 -1.07 -1.54 114.58 119.89 1bxr h GLU 468 Ca 0.11 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1bxr h GLU 468 Cb 0.50 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1bxr h GLU 468 CO 0.03 0.74 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.58 1bxr h LEU 469 N 0.59 0.16 -0.15 1.64 3.38 -1.21 -1.57 115.31 118.14 1bxr h LEU 469 Ca 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1bxr h LEU 469 Cb 0.54 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1bxr h LEU 469 CO 0.03 0.55 -0.01 0.58 0.09 0.00 0.00 178.44 179.68 1bxr h VAL 470 N 0.13 1.26 -0.91 1.22 2.07 -1.02 -0.20 116.25 118.80 1bxr h VAL 470 Ca 0.01 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1bxr h VAL 470 Cb 0.77 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1bxr h VAL 470 CO 0.06 0.26 0.60 0.03 0.02 0.00 0.00 177.57 178.54 1bxr h ARG 471 N 0.01 1.16 -0.52 1.57 2.47 -1.09 0.13 114.38 118.10 1bxr h ARG 471 Ca 0.04 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 1bxr h ARG 471 Cb 0.40 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1bxr h ARG 471 CO 0.01 0.77 0.07 -0.07 0.56 0.00 0.00 179.97 181.30 1bxr h LEU 472 N 1.20 0.80 -0.54 3.04 3.38 -1.15 -2.06 115.31 119.97 1bxr h LEU 472 Ca 0.35 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1bxr h LEU 472 Cb -0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1bxr h LEU 472 CO -0.09 0.82 0.18 -0.33 0.09 0.00 0.00 178.44 179.10 1bxr h GLU 473 N 0.80 0.84 -0.42 1.13 5.08 0.17 -1.97 114.58 120.20 1bxr h GLU 473 Ca 0.16 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1bxr h GLU 473 Cb 0.38 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1bxr h GLU 473 CO 0.01 0.76 0.07 0.93 -1.00 0.00 0.00 179.01 179.78 1bxr h GLU 474 N 0.75 0.64 0.05 2.33 5.08 -0.47 -1.70 114.58 121.27 1bxr h GLU 474 Ca 0.18 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1bxr h GLU 474 Cb 0.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1bxr h GLU 474 CO -0.01 0.61 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.37 1bxr h LYS 475 N 0.62 -0.07 -0.89 2.33 3.64 -1.08 -0.01 116.57 121.11 1bxr h LYS 475 Ca 0.14 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.68 1bxr h LYS 475 Cb 0.28 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.02 1bxr h LYS 475 CO 0.00 0.07 0.48 0.28 -2.27 0.00 0.00 179.45 178.02 1bxr h VAL 476 N -0.20 0.74 -0.60 2.00 2.07 -1.00 0.69 116.25 119.95 1bxr h VAL 476 Ca -0.01 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1bxr h VAL 476 Cb 0.17 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1bxr h VAL 476 CO 0.01 0.12 0.18 0.00 0.02 0.00 0.00 177.57 177.90 1bxr h ALA 477 N 1.57 0.79 0.53 1.67 0.00 -0.94 0.27 119.26 123.15 1bxr h ALA 477 Ca 0.49 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1bxr h ALA 477 Cb 0.68 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1bxr h ALA 477 CO -0.36 0.47 -0.26 1.49 0.00 0.00 0.00 179.25 180.60 1bxr h GLU 478 N 0.86 -0.69 0.00 0.00 4.81 0.78 -3.31 114.58 117.03 1bxr h GLU 478 Ca 0.19 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1bxr h GLU 478 Cb 0.31 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1bxr h GLU 478 CO -0.00 -0.46 -0.18 -0.39 -0.73 0.00 0.00 179.01 177.24 1bxr h VAL 479 N -1.01 0.64 -2.64 0.32 -1.51 -1.00 -3.49 116.25 107.57 1bxr h VAL 479 Ca -0.07 -0.79 0.21 0.00 -1.23 0.00 0.00 66.70 64.81 1bxr h VAL 479 Cb 0.55 1.51 -0.05 0.00 -2.13 0.00 0.00 31.29 31.16 1bxr h VAL 479 CO 0.12 0.18 -0.28 0.61 -1.23 0.00 0.00 177.57 176.97 1bxr n GLY 480 N -0.41 -1.42 0.38 5.19 0.00 0.94 -2.50 105.19 107.36 1bxr n GLY 480 Ca -0.01 -1.06 0.18 0.00 0.00 0.00 0.00 46.02 45.14 1bxr n GLY 480 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bxr h ILE 481 N -0.72 0.21 -0.07 -0.61 2.10 -1.83 0.23 117.51 116.82 1bxr h ILE 481 Ca 0.02 0.00 -0.22 0.00 1.08 0.00 0.00 64.86 65.74 1bxr h ILE 481 Cb 0.71 0.58 0.01 0.00 -1.09 0.00 0.00 36.82 37.02 1bxr h ILE 481 CO 0.01 0.00 -0.85 0.74 -1.08 0.00 0.00 178.15 176.97 1bxr h THR 482 N 0.00 1.34 0.00 2.19 2.02 -1.96 -3.10 112.91 113.39 1bxr h THR 482 Ca 0.15 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.13 1bxr h THR 482 Cb 1.12 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1bxr h THR 482 CO -0.00 0.67 0.00 0.61 0.37 0.00 0.00 175.52 177.17 1bxr n GLY 483 N 0.78 -1.09 2.45 2.16 0.00 0.06 -4.43 105.19 105.12 1bxr n GLY 483 Ca -0.07 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1bxr n GLY 483 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bxr n LEU 484 N -1.37 7.84 -4.75 0.99 4.77 -1.17 -4.85 117.00 118.46 1bxr n LEU 484 Ca 0.08 -4.12 -0.30 0.00 -0.03 0.00 0.00 56.01 51.65 1bxr n LEU 484 Cb 0.20 -1.51 0.12 0.00 -2.33 0.00 0.00 43.42 39.89 1bxr n LEU 484 CO 0.18 1.65 0.68 0.54 -1.33 0.00 0.00 177.39 179.12 1bxr s ASN 485 N 2.60 3.94 0.35 -1.43 2.20 -1.26 -4.68 114.94 116.65 1bxr s ASN 485 Ca 0.62 1.50 0.03 0.00 -0.94 0.00 0.00 52.86 54.06 1bxr s ASN 485 Cb 0.16 -2.20 0.65 0.00 -2.00 0.00 0.00 41.25 37.86 1bxr s ASN 485 CO -0.06 -2.35 2.01 0.00 -2.94 0.00 0.00 177.10 173.76 1bxr h ALA 486 N -1.35 1.57 -0.34 3.54 0.00 -1.98 0.16 119.26 120.86 1bxr h ALA 486 Ca -0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1bxr h ALA 486 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1bxr h ALA 486 CO 0.55 0.39 0.12 -0.44 0.00 0.00 0.00 179.25 179.88 1bxr h ASP 487 N 0.84 0.48 -0.07 0.00 5.19 -1.96 0.21 116.42 121.11 1bxr h ASP 487 Ca 0.24 -0.19 -0.06 0.00 -0.62 0.00 0.00 57.03 56.41 1bxr h ASP 487 Cb -0.06 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1bxr h ASP 487 CO -0.06 0.54 -0.17 0.15 -3.12 0.00 0.00 179.24 176.58 1bxr h PHE 488 N 0.40 0.30 -0.69 4.55 3.57 -1.81 -1.26 116.94 122.00 1bxr h PHE 488 Ca 0.11 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1bxr h PHE 488 Cb 0.22 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1bxr h PHE 488 CO 0.00 0.79 0.40 1.25 -2.23 0.00 0.00 178.31 178.52 1bxr h LEU 489 N -0.27 0.61 -0.88 0.59 5.85 -0.66 0.20 115.31 120.75 1bxr h LEU 489 Ca -0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1bxr h LEU 489 Cb 0.78 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1bxr h LEU 489 CO 0.04 0.40 0.52 -0.09 -0.34 0.00 0.00 178.44 178.97 1bxr h ARG 490 N 0.75 1.19 -0.42 1.25 2.43 -0.48 -0.34 114.38 118.76 1bxr h ARG 490 Ca 0.30 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1bxr h ARG 490 Cb 0.14 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1bxr h ARG 490 CO -0.16 0.84 0.05 0.37 -1.51 0.00 0.00 179.97 179.56 1bxr h GLN 491 N 1.21 0.65 -0.43 0.20 4.15 0.09 -2.27 115.11 118.70 1bxr h GLN 491 Ca 0.31 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 1bxr h GLN 491 Cb -0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1bxr h GLN 491 CO -0.06 0.64 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.29 1bxr h LEU 492 N 0.62 0.85 -1.41 -2.39 3.38 0.46 -2.80 115.31 114.01 1bxr h LEU 492 Ca 0.13 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1bxr h LEU 492 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1bxr h LEU 492 CO 0.01 1.02 -0.02 0.11 0.09 0.00 0.00 178.44 179.64 1bxr h LYS 493 N 0.66 0.36 0.00 1.13 1.79 -0.82 -2.33 116.57 117.36 1bxr h LYS 493 Ca 0.11 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1bxr h LYS 493 Cb 0.65 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1bxr h LYS 493 CO 0.04 0.40 -0.25 0.00 -1.08 0.00 0.00 179.45 178.56 1bxr h ARG 494 N 0.35 0.00 -0.54 3.15 3.08 -1.22 -2.58 114.38 116.62 1bxr h ARG 494 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1bxr h ARG 494 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1bxr h ARG 494 CO 0.01 0.25 0.00 1.63 -1.07 0.00 0.00 179.97 180.79 1bxr n LYS 495 N -3.44 2.36 -0.59 0.04 5.02 -0.94 -4.55 118.16 116.05 1bxr n LYS 495 Ca -0.00 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 1bxr n LYS 495 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1bxr n LYS 495 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bxr n GLY 496 N 1.23 0.76 3.74 0.72 0.00 -0.97 -3.69 105.19 106.98 1bxr n GLY 496 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1bxr n GLY 496 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bxr n PHE 497 N -2.23 2.87 -3.21 1.61 3.72 -0.92 -4.59 117.46 114.71 1bxr n PHE 497 Ca 0.00 0.20 -0.35 0.00 -0.05 0.00 0.00 57.45 57.25 1bxr n PHE 497 Cb 0.00 -2.62 -0.06 0.00 -0.94 0.00 0.00 39.48 35.86 1bxr n PHE 497 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bxr s ALA 498 N 0.22 3.47 0.36 4.37 0.00 -1.26 -4.59 121.76 124.32 1bxr s ALA 498 Ca 0.66 0.03 0.12 0.00 0.00 0.00 0.00 51.96 52.76 1bxr s ALA 498 Cb -0.49 -2.69 0.91 0.00 0.00 0.00 0.00 23.12 20.85 1bxr s ALA 498 CO 0.45 0.38 1.81 -0.44 0.00 0.00 0.00 175.76 177.96 1bxr h ASP 499 N 3.30 0.61 -0.15 0.00 3.32 -1.93 -1.87 116.42 119.70 1bxr h ASP 499 Ca -0.48 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 1bxr h ASP 499 Cb 1.19 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1bxr h ASP 499 CO 0.66 0.22 -0.12 0.00 -1.72 0.00 0.00 179.24 178.28 1bxr h ALA 500 N 1.62 1.23 0.05 3.45 0.00 -1.91 0.58 119.26 124.28 1bxr h ALA 500 Ca 0.54 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 1bxr h ALA 500 Cb 1.06 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1bxr h ALA 500 CO -0.29 0.50 -0.93 -0.09 0.00 0.00 0.00 179.25 178.44 1bxr h ARG 501 N 0.47 0.55 -0.83 0.00 9.65 -1.61 -2.93 114.38 119.69 1bxr h ARG 501 Ca 0.09 -0.65 -0.02 0.00 -1.10 0.00 0.00 59.98 58.29 1bxr h ARG 501 Cb 0.50 0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.24 1bxr h ARG 501 CO 0.03 1.26 0.44 -0.07 2.80 0.00 0.00 179.97 184.43 1bxr h LEU 502 N 0.12 1.04 -0.52 3.80 3.38 -1.29 -1.55 115.31 120.30 1bxr h LEU 502 Ca -0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1bxr h LEU 502 Cb 1.63 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1bxr h LEU 502 CO 0.18 0.85 0.25 0.00 0.09 0.00 0.00 178.44 179.81 1bxr h ALA 503 N 1.32 0.67 -0.34 1.53 0.00 -0.86 0.20 119.26 121.76 1bxr h ALA 503 Ca 0.29 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1bxr h ALA 503 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1bxr h ALA 503 CO -0.04 0.23 -0.41 0.87 0.00 0.00 0.00 179.25 179.90 1bxr h LYS 504 N 0.69 0.85 -0.25 0.00 1.57 -1.29 0.12 116.57 118.26 1bxr h LYS 504 Ca 0.18 -0.46 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1bxr h LYS 504 Cb 0.12 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1bxr h LYS 504 CO -0.02 1.10 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.86 1bxr h LEU 505 N 0.69 0.46 -0.07 2.94 3.38 -1.11 -2.52 115.31 119.08 1bxr h LEU 505 Ca 0.05 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1bxr h LEU 505 Cb 0.99 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1bxr h LEU 505 CO 0.09 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.31 1bxr n ALA 506 N -2.37 2.57 -3.06 1.53 0.00 0.67 -4.44 120.51 115.42 1bxr n ALA 506 Ca -0.04 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1bxr n ALA 506 Cb 0.27 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1bxr n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 507 N 0.73 -0.50 1.68 0.00 0.00 -0.14 -4.31 105.19 102.65 1bxr n GLY 507 Ca 0.10 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1bxr n GLY 507 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1bxr n VAL 508 N -3.93 0.00 -3.47 1.61 0.24 0.25 -5.01 118.33 108.01 1bxr n VAL 508 Ca -0.07 -1.12 -0.36 0.00 -2.04 0.00 0.00 64.34 60.74 1bxr n VAL 508 Cb 0.58 0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.14 1bxr n VAL 508 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bxr s ARG 509 N -2.84 3.91 0.30 7.34 0.52 -1.26 -4.24 118.95 122.68 1bxr s ARG 509 Ca 0.01 0.39 0.02 0.00 -0.52 0.00 0.00 55.73 55.64 1bxr s ARG 509 Cb 0.00 -3.09 0.59 0.00 0.52 0.00 0.00 34.95 32.98 1bxr s ARG 509 CO 0.01 0.60 1.85 1.49 0.02 0.00 0.00 175.30 179.27 1bxr h GLU 510 N 4.13 0.93 -0.02 3.54 4.81 -1.89 0.54 114.58 126.60 1bxr h GLU 510 Ca -0.50 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1bxr h GLU 510 Cb 1.21 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 1bxr h GLU 510 CO 0.64 0.61 0.04 0.00 -0.73 0.00 0.00 179.01 179.57 1bxr h ALA 511 N 1.54 1.39 -0.12 2.92 0.00 -1.93 -2.07 119.26 120.99 1bxr h ALA 511 Ca 0.47 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.18 1bxr h ALA 511 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bxr h ALA 511 CO -0.24 -0.05 -0.74 0.93 0.00 0.00 0.00 179.25 179.15 1bxr h GLU 512 N 0.00 0.61 -0.22 0.00 5.08 -0.30 -2.29 114.58 117.46 1bxr h GLU 512 Ca 0.01 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 1bxr h GLU 512 Cb 0.09 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1bxr h GLU 512 CO -0.00 1.11 -0.17 0.82 -1.00 0.00 0.00 179.01 179.77 1bxr h ILE 513 N 0.42 1.32 -0.83 3.13 1.08 -1.30 -0.66 117.51 120.67 1bxr h ILE 513 Ca -0.04 -1.30 0.06 0.00 -0.39 0.00 0.00 64.86 63.19 1bxr h ILE 513 Cb 1.34 1.68 -0.05 0.00 -3.07 0.00 0.00 36.82 36.72 1bxr h ILE 513 CO 0.14 0.40 0.54 -0.09 -0.69 0.00 0.00 178.15 178.45 1bxr h ARG 514 N 0.20 0.89 -0.16 2.37 2.43 -1.43 0.28 114.38 118.97 1bxr h ARG 514 Ca 0.04 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1bxr h ARG 514 Cb 0.70 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1bxr h ARG 514 CO 0.04 0.59 0.02 -0.22 -1.51 0.00 0.00 179.97 178.89 1bxr h LYS 515 N 0.92 0.27 -0.76 0.20 3.11 -1.27 -1.22 116.57 117.82 1bxr h LYS 515 Ca 0.36 -0.08 0.07 0.00 -2.81 0.00 0.00 60.65 58.19 1bxr h LYS 515 Cb 0.21 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.35 1bxr h LYS 515 CO -0.13 0.46 0.44 1.25 -2.81 0.00 0.00 179.45 178.66 1bxr h LEU 516 N 0.04 0.67 -1.06 5.20 5.85 0.37 -0.10 115.31 126.27 1bxr h LEU 516 Ca 0.05 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1bxr h LEU 516 Cb 0.33 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1bxr h LEU 516 CO 0.00 0.42 0.63 0.03 -0.34 0.00 0.00 178.44 179.19 1bxr h ARG 517 N 0.80 1.26 -0.05 1.25 3.08 -0.19 -2.10 114.38 118.43 1bxr h ARG 517 Ca 0.34 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1bxr h ARG 517 Cb 0.21 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1bxr h ARG 517 CO -0.19 0.83 0.02 0.22 -1.07 0.00 0.00 179.97 179.78 1bxr h ASP 518 N 1.29 0.03 -0.23 7.04 3.58 0.15 0.39 116.42 128.66 1bxr h ASP 518 Ca 0.35 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.86 1bxr h ASP 518 Cb -0.15 -0.00 -0.07 0.00 1.72 0.00 0.00 39.33 40.83 1bxr h ASP 518 CO -0.08 0.02 -0.34 -0.61 -2.88 0.00 0.00 179.24 175.36 1bxr h GLN 519 N 0.05 -0.35 0.00 0.28 4.15 -0.51 -2.76 115.11 115.96 1bxr h GLN 519 Ca 0.02 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1bxr h GLN 519 Cb 0.01 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1bxr h GLN 519 CO -0.02 -0.23 -0.03 1.88 -1.93 0.00 0.00 178.83 178.50 1bxr h TYR 520 N -0.36 0.00 -1.12 3.99 0.05 -1.27 -3.46 116.97 114.80 1bxr h TYR 520 Ca 0.12 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 1bxr h TYR 520 Cb 0.56 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.31 1bxr h TYR 520 CO -0.47 0.03 -0.10 -3.47 -1.05 0.00 0.00 178.16 173.10 1bxr n ASP 521 N -3.21 -2.26 -4.35 3.88 2.03 -0.57 -5.00 116.55 107.06 1bxr n ASP 521 Ca -0.01 -0.04 -0.46 0.00 0.52 0.00 0.00 54.79 54.79 1bxr n ASP 521 Cb 0.22 -1.26 -0.03 0.00 -0.72 0.00 0.00 41.12 39.33 1bxr n ASP 521 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1bxr s LEU 522 N -1.51 6.25 0.06 -2.67 2.96 0.02 -4.98 118.68 118.83 1bxr s LEU 522 Ca 0.05 -2.34 0.04 0.00 -0.22 0.00 0.00 54.13 51.66 1bxr s LEU 522 Cb -0.02 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1bxr s LEU 522 CO 0.06 -0.75 -0.12 -1.00 -1.32 0.00 0.00 176.35 173.21 1bxr s HIS 523 N 1.04 1.06 0.78 5.38 3.76 -1.26 -4.59 115.29 121.46 1bxr s HIS 523 Ca 0.18 -0.47 -0.12 0.00 -0.15 0.00 0.00 55.06 54.51 1bxr s HIS 523 Cb -0.13 -0.60 0.06 0.00 1.11 0.00 0.00 32.58 33.02 1bxr s HIS 523 CO -0.06 0.02 1.10 -1.25 -0.85 0.00 0.00 174.74 173.70 1bxr s PRO 524 N -1.68 2.21 0.36 8.40 0.04 -1.26 -4.80 135.00 138.26 1bxr s PRO 524 Ca -0.04 0.56 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1bxr s PRO 524 Cb -0.10 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1bxr s PRO 524 CO 0.02 -1.51 0.23 0.14 0.04 0.00 0.00 177.00 175.91 1bxr s VAL 525 N -3.23 3.08 -0.12 -0.36 -7.23 0.37 -4.90 120.40 108.01 1bxr s VAL 525 Ca 0.60 -1.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1bxr s VAL 525 Cb -0.13 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 1bxr s VAL 525 CO 0.53 -0.14 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.70 1bxr s TYR 526 N -2.41 2.72 0.37 2.82 1.51 -1.26 -1.18 117.35 119.92 1bxr s TYR 526 Ca 0.40 -0.79 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 1bxr s TYR 526 Cb -0.03 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1bxr s TYR 526 CO 0.25 -0.29 0.40 0.15 -1.11 0.00 0.00 175.55 174.95 1bxr s LYS 527 N 0.35 2.79 0.12 -0.62 -0.14 -0.34 -0.20 119.74 121.71 1bxr s LYS 527 Ca -0.14 -1.27 0.10 0.00 -1.36 0.00 0.00 55.97 53.29 1bxr s LYS 527 Cb -0.17 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 1bxr s LYS 527 CO 0.07 -0.04 -0.21 1.03 -0.76 0.00 0.00 175.35 175.44 1bxr s ARG 528 N -4.13 1.67 0.09 1.68 0.52 -1.26 -1.95 118.95 115.57 1bxr s ARG 528 Ca 0.46 -1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 54.18 1bxr s ARG 528 Cb -0.07 -2.05 -0.06 0.00 0.52 0.00 0.00 34.95 33.29 1bxr s ARG 528 CO 0.29 0.47 0.81 0.08 0.02 0.00 0.00 175.30 176.97 1bxr s VAL 529 N -1.11 4.59 0.00 3.52 1.01 0.54 -4.95 120.40 124.00 1bxr s VAL 529 Ca 0.17 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1bxr s VAL 529 Cb -0.10 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1bxr s VAL 529 CO 0.09 0.39 0.17 -0.90 0.00 0.00 0.00 175.10 174.85 1bxr n ASP 530 N 2.50 0.00 0.00 3.32 5.68 -1.26 -4.74 116.55 122.05 1bxr n ASP 530 Ca -0.02 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 1bxr n ASP 530 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1bxr n ASP 530 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bxr n THR 531 N 0.00 0.00 -0.27 2.12 -2.24 -0.91 -4.71 114.28 108.28 1bxr n THR 531 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bxr n THR 531 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1bxr n THR 531 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bxr n ALA 533 N -0.37 -0.84 -0.95 0.00 0.00 0.11 -2.79 120.51 115.67 1bxr n ALA 533 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1bxr n ALA 533 Cb 0.32 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1bxr n ALA 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr n ALA 534 N -3.60 0.00 0.26 0.00 0.00 -1.26 -4.88 120.51 111.03 1bxr n ALA 534 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 1bxr n ALA 534 Cb 0.58 -0.51 0.68 0.00 0.00 0.00 0.00 19.45 20.20 1bxr n ALA 534 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bxr h GLU 535 N 0.97 0.00 -4.52 0.00 4.81 -1.92 -3.42 114.58 110.50 1bxr h GLU 535 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1bxr h GLU 535 Cb 0.27 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.44 1bxr h GLU 535 CO 0.00 0.07 -0.73 -0.06 -0.73 0.00 0.00 179.01 177.56 1bxr s PHE 536 N -4.73 0.65 0.56 0.92 0.08 -1.26 -5.15 117.98 109.06 1bxr s PHE 536 Ca -0.04 -0.54 -0.17 0.00 0.12 0.00 0.00 56.93 56.30 1bxr s PHE 536 Cb 0.16 -0.39 -0.05 0.00 -0.57 0.00 0.00 43.02 42.16 1bxr s PHE 536 CO 0.64 -0.10 1.05 0.00 -0.10 0.00 0.00 175.22 176.71 1bxr s ALA 537 N -1.56 2.78 -0.02 5.36 0.00 -1.26 -4.96 121.76 122.10 1bxr s ALA 537 Ca -0.09 0.46 0.05 0.00 0.00 0.00 0.00 51.96 52.38 1bxr s ALA 537 Cb -0.09 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1bxr s ALA 537 CO -0.00 -0.66 -0.15 -0.08 0.00 0.00 0.00 175.76 174.86 1bxr s THR 538 N -2.31 1.23 -1.74 0.00 -1.32 -1.26 -4.59 115.64 105.65 1bxr s THR 538 Ca 0.65 -0.66 0.18 0.00 -1.21 0.00 0.00 61.69 60.66 1bxr s THR 538 Cb -0.16 -1.03 0.46 0.00 -1.51 0.00 0.00 72.50 70.26 1bxr s THR 538 CO 0.32 0.35 1.38 0.47 -2.21 0.00 0.00 174.62 174.93 1bxr n ASP 539 N 2.78 3.41 -4.83 8.08 9.92 -1.23 -4.95 116.55 129.72 1bxr n ASP 539 Ca -0.15 -1.96 -0.35 0.00 -0.53 0.00 0.00 54.79 51.80 1bxr n ASP 539 Cb 0.54 -0.33 -0.06 0.00 -0.64 0.00 0.00 41.12 40.64 1bxr n ASP 539 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bxr s THR 540 N -1.11 4.69 -0.86 -3.53 2.01 -1.26 -5.03 115.64 110.56 1bxr s THR 540 Ca 0.37 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.40 1bxr s THR 540 Cb 0.20 -3.75 0.23 0.00 0.01 0.00 0.00 72.50 69.18 1bxr s THR 540 CO 0.26 0.11 0.82 0.00 -0.69 0.00 0.00 174.62 175.12 1bxr n ALA 541 N 0.43 3.94 -3.79 7.40 0.00 -1.26 -4.92 120.51 122.30 1bxr n ALA 541 Ca -0.02 -4.64 -0.35 0.00 0.00 0.00 0.00 53.44 48.44 1bxr n ALA 541 Cb 0.52 -1.56 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 1bxr n ALA 541 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1bxr s TYR 542 N -1.71 3.52 0.23 0.00 5.04 -1.26 -1.57 117.35 121.60 1bxr s TYR 542 Ca 0.30 -2.37 0.08 0.00 -2.44 0.00 0.00 57.07 52.63 1bxr s TYR 542 Cb -0.02 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.45 1bxr s TYR 542 CO -0.09 -0.91 -0.12 -1.64 -1.34 0.00 0.00 175.55 171.44 1bxr s MET 543 N 1.12 1.42 0.05 4.97 -1.94 0.06 -0.34 119.30 124.64 1bxr s MET 543 Ca 0.04 -1.66 0.02 0.00 -1.71 0.00 0.00 55.69 52.38 1bxr s MET 543 Cb -0.21 -1.16 -0.03 0.00 2.01 0.00 0.00 34.83 35.44 1bxr s MET 543 CO -0.04 0.15 -0.07 1.52 -0.01 0.00 0.00 175.02 176.56 1bxr s TYR 544 N -2.96 0.65 0.20 -0.03 1.13 -0.82 -0.70 117.35 114.82 1bxr s TYR 544 Ca 0.25 -0.57 -0.19 0.00 -1.41 0.00 0.00 57.07 55.15 1bxr s TYR 544 Cb 0.00 -0.39 -0.08 0.00 -1.10 0.00 0.00 41.96 40.39 1bxr s TYR 544 CO 0.09 -0.11 0.69 -1.54 -2.51 0.00 0.00 175.55 172.17 1bxr s SER 545 N -1.78 7.02 0.13 -0.18 1.04 -1.26 -1.19 113.70 117.48 1bxr s SER 545 Ca -0.07 1.36 -0.20 0.00 0.48 0.00 0.00 55.95 57.51 1bxr s SER 545 Cb -0.08 -2.40 0.05 0.00 0.10 0.00 0.00 66.02 63.70 1bxr s SER 545 CO -0.01 0.05 0.50 0.28 0.98 0.00 0.00 173.24 175.05 1bxr s THR 546 N -1.50 0.03 -0.87 2.02 -1.32 -0.32 -4.80 115.64 108.88 1bxr s THR 546 Ca 0.42 -0.28 -0.15 0.00 -1.21 0.00 0.00 61.69 60.47 1bxr s THR 546 Cb -0.16 -1.07 0.20 0.00 -1.51 0.00 0.00 72.50 69.95 1bxr s THR 546 CO 0.21 -0.15 0.88 -0.31 -2.21 0.00 0.00 174.62 173.03 1bxr s TYR 547 N -3.66 3.64 0.00 9.09 1.51 -1.26 0.14 117.35 126.81 1bxr s TYR 547 Ca 0.01 -1.89 0.00 0.00 -1.01 0.00 0.00 57.07 54.18 1bxr s TYR 547 Cb 0.00 -3.93 0.00 0.00 -0.11 0.00 0.00 41.96 37.92 1bxr s TYR 547 CO -0.12 -1.11 0.00 -1.91 -1.11 0.00 0.00 175.55 171.31 1bxr n GLU 548 N 4.52 0.34 0.00 -0.62 2.13 -1.26 -4.86 120.64 120.88 1bxr n GLU 548 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1bxr n GLU 548 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1bxr n GLU 548 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bxr n GLU 549 N 0.00 0.00 -2.63 5.31 -0.58 -1.26 -4.66 120.64 116.81 1bxr n GLU 549 Ca 0.00 0.21 -0.41 0.00 -0.42 0.00 0.00 57.16 56.55 1bxr n GLU 549 Cb 0.00 -0.66 -0.04 0.00 -0.57 0.00 0.00 31.44 30.17 1bxr n GLU 549 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1bxr s GLU 550 N -0.68 4.68 -0.12 3.49 2.12 -1.26 -4.94 118.70 121.99 1bxr s GLU 550 Ca 0.00 1.58 -0.03 0.00 0.36 0.00 0.00 54.97 56.88 1bxr s GLU 550 Cb 0.00 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1bxr s GLU 550 CO 0.00 0.20 -0.02 0.00 -0.54 0.00 0.00 175.26 174.90 1bxr n GLU 552 N 2.83 2.69 -0.21 0.00 1.02 0.72 -4.73 120.64 122.96 1bxr n GLU 552 Ca -0.18 -2.59 -0.07 0.00 -0.02 0.00 0.00 57.16 54.31 1bxr n GLU 552 Cb 0.53 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1bxr n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bxr h ALA 553 N 1.50 0.77 -6.91 0.62 0.00 -1.95 -3.47 119.26 109.82 1bxr h ALA 553 Ca 0.00 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.27 1bxr h ALA 553 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1bxr h ALA 553 CO 0.14 0.35 -0.89 0.09 0.00 0.00 0.00 179.25 178.94 1bxr n ASN 554 N -4.50 -3.64 -4.77 0.00 3.02 -1.26 -4.89 115.26 99.22 1bxr n ASN 554 Ca 0.04 -1.05 -0.36 0.00 -0.03 0.00 0.00 54.58 53.17 1bxr n ASN 554 Cb 0.14 -1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 37.95 1bxr n ASN 554 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bxr s PRO 555 N -6.48 3.66 0.61 3.52 0.04 -1.26 -5.02 135.00 130.07 1bxr s PRO 555 Ca 0.32 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 1bxr s PRO 555 Cb -0.18 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1bxr s PRO 555 CO 0.82 -0.62 1.11 -1.12 0.04 0.00 0.00 177.00 177.23 1bxr s SER 556 N -1.50 5.42 0.00 6.66 0.01 -1.26 -4.91 113.70 118.12 1bxr s SER 556 Ca 0.66 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.97 1bxr s SER 556 Cb -0.27 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1bxr s SER 556 CO 0.32 -1.42 0.00 0.35 0.41 0.00 0.00 173.24 172.90 1bxr n THR 557 N -1.95 0.00 0.27 1.44 -2.24 -1.26 -4.76 114.28 105.78 1bxr n THR 557 Ca 0.11 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1bxr n THR 557 Cb 0.52 0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 1bxr n THR 557 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1bxr h ASP 558 N 0.00 -0.87 -5.07 3.42 3.58 -2.02 -3.47 116.42 111.99 1bxr h ASP 558 Ca 0.00 0.06 -0.66 0.00 0.42 0.00 0.00 57.03 56.85 1bxr h ASP 558 Cb 0.00 0.27 -0.13 0.00 1.72 0.00 0.00 39.33 41.19 1bxr h ASP 558 CO 0.00 -0.51 -0.49 0.54 -2.88 0.00 0.00 179.24 175.90 1bxr n ARG 559 N -5.46 0.68 -2.93 0.28 1.74 -1.26 -5.11 116.66 104.60 1bxr n ARG 559 Ca -0.11 -3.77 -0.41 0.00 -0.77 0.00 0.00 57.85 52.79 1bxr n ARG 559 Cb 0.36 1.28 -0.04 0.00 -1.02 0.00 0.00 32.46 33.04 1bxr n ARG 559 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bxr s GLU 560 N -3.82 4.22 0.04 5.56 2.02 -1.26 -4.93 118.70 120.52 1bxr s GLU 560 Ca 0.06 0.91 0.01 0.00 0.02 0.00 0.00 54.97 55.97 1bxr s GLU 560 Cb 0.00 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 1bxr s GLU 560 CO 0.04 -0.41 0.07 0.15 0.02 0.00 0.00 175.26 175.13 1bxr s LYS 561 N 2.47 2.96 -0.12 1.61 1.02 -1.26 -0.96 119.74 125.46 1bxr s LYS 561 Ca 0.35 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1bxr s LYS 561 Cb -0.16 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1bxr s LYS 561 CO 0.09 0.61 -0.11 0.42 -0.92 0.00 0.00 175.35 175.44 1bxr s ILE 562 N -1.28 1.24 -0.20 2.17 -1.09 0.65 0.21 121.20 122.90 1bxr s ILE 562 Ca 0.26 -0.45 -0.09 0.00 -2.23 0.00 0.00 60.65 58.14 1bxr s ILE 562 Cb -0.12 -1.20 -0.04 0.00 -1.58 0.00 0.00 42.46 39.52 1bxr s ILE 562 CO 0.18 0.40 0.10 -0.32 -1.23 0.00 0.00 174.94 174.07 1bxr s MET 563 N 1.42 4.05 -0.18 2.79 1.75 0.83 -0.88 119.30 129.08 1bxr s MET 563 Ca 0.01 -0.30 -0.03 0.00 -1.25 0.00 0.00 55.69 54.13 1bxr s MET 563 Cb -0.13 -3.34 -0.01 0.00 2.84 0.00 0.00 34.83 34.19 1bxr s MET 563 CO -0.06 0.23 -0.07 0.08 -0.65 0.00 0.00 175.02 174.55 1bxr s VAL 564 N 0.52 3.37 -0.23 10.11 1.01 -0.29 0.11 120.40 135.00 1bxr s VAL 564 Ca 0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1bxr s VAL 564 Cb -0.12 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1bxr s VAL 564 CO 0.00 0.47 0.11 -0.76 0.00 0.00 0.00 175.10 174.92 1bxr s LEU 565 N 0.92 3.87 1.13 3.92 1.43 -1.02 -1.58 118.68 127.34 1bxr s LEU 565 Ca -0.01 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 1bxr s LEU 565 Cb -0.15 -2.03 0.25 0.00 0.03 0.00 0.00 46.19 44.30 1bxr s LEU 565 CO 0.01 0.06 1.11 -0.83 0.23 0.00 0.00 176.35 176.92 1bxr s GLY 566 N 1.06 1.58 0.00 -3.19 0.00 0.25 -3.73 107.32 103.28 1bxr s GLY 566 Ca 0.06 -0.76 0.25 0.00 0.00 0.00 0.00 44.72 44.27 1bxr s GLY 566 CO 0.04 0.03 1.40 0.61 0.00 0.00 0.00 173.10 175.19 1bxr n GLY 567 N -1.04 0.84 7.00 0.20 0.00 -1.25 -4.67 105.19 106.27 1bxr n GLY 567 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1bxr n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 568 N 1.32 -0.44 3.68 -0.02 0.00 -1.26 -4.85 105.19 103.63 1bxr n GLY 568 Ca 0.16 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1bxr n GLY 568 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bxr n PRO 569 N 0.00 0.91 -2.27 1.61 -0.04 -1.26 -4.50 135.00 129.44 1bxr n PRO 569 Ca 0.00 0.37 -0.33 0.00 -0.04 0.00 0.00 63.50 63.49 1bxr n PRO 569 Cb 0.00 -2.39 -0.01 0.00 -0.04 0.00 0.00 33.50 31.06 1bxr n PRO 569 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1bxr s ASN 570 N -1.43 6.01 0.18 3.54 0.02 -1.26 -4.88 114.94 117.12 1bxr s ASN 570 Ca 0.79 1.89 -0.23 0.00 -1.02 0.00 0.00 52.86 54.30 1bxr s ASN 570 Cb -0.38 -2.55 0.06 0.00 0.02 0.00 0.00 41.25 38.40 1bxr s ASN 570 CO 0.44 -1.01 0.69 -0.13 0.02 0.00 0.00 177.10 177.11 1bxr s ARG 571 N -3.66 1.39 0.05 -0.60 3.00 -0.82 -3.40 118.95 114.92 1bxr s ARG 571 Ca 0.66 -0.63 -0.31 0.00 0.00 0.00 0.00 55.73 55.45 1bxr s ARG 571 Cb -0.17 0.56 -0.10 0.00 0.00 0.00 0.00 34.95 35.25 1bxr s ARG 571 CO 0.29 -0.62 1.93 -0.89 0.00 0.00 0.00 175.30 176.01 1bxr n ILE 572 N -0.40 0.65 0.00 1.52 5.41 -1.26 -1.33 119.36 123.95 1bxr n ILE 572 Ca -0.11 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.52 1bxr n ILE 572 Cb 0.62 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 1bxr n ILE 572 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bxr n GLY 573 N 4.45 2.49 2.51 7.39 0.00 -1.26 -4.93 105.19 115.84 1bxr n GLY 573 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1bxr n GLY 573 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bxr s GLN 574 N -0.30 0.47 0.00 1.61 -0.21 -0.44 -4.64 119.66 116.16 1bxr s GLN 574 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.30 1bxr s GLN 574 Cb 0.00 -1.19 0.00 0.00 1.00 0.00 0.00 33.01 32.82 1bxr s GLN 574 CO 0.00 -1.17 0.00 0.41 -2.12 0.00 0.00 175.29 172.41 1bxr n GLY 575 N 4.35 5.19 0.37 3.09 0.00 -1.24 -1.94 105.19 115.00 1bxr n GLY 575 Ca 0.08 -1.62 0.19 0.00 0.00 0.00 0.00 46.02 44.67 1bxr n GLY 575 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bxr h ILE 576 N 0.00 0.37 -0.86 -0.61 2.10 -1.93 -1.92 117.51 114.66 1bxr h ILE 576 Ca 0.00 0.00 0.08 0.00 1.08 0.00 0.00 64.86 66.02 1bxr h ILE 576 Cb 0.00 0.69 -0.07 0.00 -1.09 0.00 0.00 36.82 36.35 1bxr h ILE 576 CO 0.00 0.00 0.52 -0.33 -1.08 0.00 0.00 178.15 177.26 1bxr h GLU 577 N 0.00 0.87 0.00 2.19 3.07 -1.92 0.89 114.58 119.68 1bxr h GLU 577 Ca 0.16 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 1bxr h GLU 577 Cb 0.92 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1bxr h GLU 577 CO -0.00 0.58 -0.21 0.74 -1.40 0.00 0.00 179.01 178.72 1bxr h PHE 578 N 0.90 0.00 0.07 4.33 0.04 -1.65 -2.14 116.94 118.49 1bxr h PHE 578 Ca 0.40 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.90 1bxr h PHE 578 Cb 0.28 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.45 1bxr h PHE 578 CO -0.04 0.21 -1.12 0.22 -0.60 0.00 0.00 178.31 176.98 1bxr h ASP 579 N 0.00 0.70 -0.63 2.17 3.58 -1.00 -1.89 116.42 119.34 1bxr h ASP 579 Ca -0.00 -0.62 -0.02 0.00 0.42 0.00 0.00 57.03 56.81 1bxr h ASP 579 Cb 0.66 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 1bxr h ASP 579 CO 0.03 1.43 0.32 0.22 -2.88 0.00 0.00 179.24 178.37 1bxr h TYR 580 N 0.25 0.89 -0.57 0.28 5.03 -1.10 0.87 116.97 122.62 1bxr h TYR 580 Ca -0.14 -0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.04 1bxr h TYR 580 Cb 1.78 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.76 1bxr h TYR 580 CO 0.09 0.66 -0.03 0.00 -1.32 0.00 0.00 178.16 177.56 1bxr h VAL 583 N 0.64 1.04 -0.47 0.00 2.07 -0.68 -2.43 116.25 116.42 1bxr h VAL 583 Ca 0.13 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1bxr h VAL 583 Cb 0.51 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1bxr h VAL 583 CO 0.02 0.12 0.03 0.45 0.02 0.00 0.00 177.57 178.22 1bxr h HIS 584 N 0.64 0.78 -0.71 1.57 -0.00 -1.12 0.03 115.15 116.34 1bxr h HIS 584 Ca 0.23 -0.09 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1bxr h HIS 584 Cb 0.05 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 1bxr h HIS 584 CO -0.07 0.71 0.16 0.00 -0.00 0.00 0.00 177.93 178.74 1bxr h ALA 585 N 1.33 0.94 -0.08 2.45 0.00 -1.01 0.18 119.26 123.08 1bxr h ALA 585 Ca 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1bxr h ALA 585 Cb 0.38 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bxr h ALA 585 CO 0.01 0.67 -0.02 1.03 0.00 0.00 0.00 179.25 180.95 1bxr h SER 586 N 1.08 0.15 -0.35 0.00 0.87 -1.03 -1.82 113.55 112.45 1bxr h SER 586 Ca 0.22 -0.37 0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1bxr h SER 586 Cb 0.39 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 1bxr h SER 586 CO 0.00 0.49 -0.00 -0.07 -0.53 0.00 0.00 176.83 176.72 1bxr h LEU 587 N -0.18 -0.15 0.00 2.23 4.07 -0.80 -0.26 115.31 120.22 1bxr h LEU 587 Ca 0.02 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1bxr h LEU 587 Cb 0.42 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1bxr h LEU 587 CO 0.01 -0.04 0.00 0.00 -1.08 0.00 0.00 178.44 177.33 1bxr n ALA 588 N -2.51 -0.31 -0.34 1.53 0.00 0.63 -2.04 120.51 117.47 1bxr n ALA 588 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.65 1bxr n ALA 588 Cb 0.18 0.07 0.42 0.00 0.00 0.00 0.00 19.45 20.13 1bxr n ALA 588 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bxr h LEU 589 N 0.00 0.61 -0.12 0.00 3.38 -1.31 0.42 115.31 118.29 1bxr h LEU 589 Ca 0.00 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1bxr h LEU 589 Cb 0.00 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1bxr h LEU 589 CO 0.00 0.06 0.07 -0.09 0.09 0.00 0.00 178.44 178.57 1bxr h ARG 590 N 0.50 0.17 -0.71 1.13 2.43 -1.05 -0.94 114.38 115.92 1bxr h ARG 590 Ca 0.66 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.92 1bxr h ARG 590 Cb 1.37 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.84 1bxr h ARG 590 CO -0.47 0.18 0.47 0.93 -1.51 0.00 0.00 179.97 179.57 1bxr h GLU 591 N 0.11 0.52 0.00 0.20 4.39 -0.34 -0.79 114.58 118.67 1bxr h GLU 591 Ca 0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1bxr h GLU 591 Cb 0.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1bxr h GLU 591 CO -0.01 0.35 0.00 -0.25 -1.16 0.00 0.00 179.01 177.94 1bxr n ASP 592 N -4.49 0.00 0.00 1.42 9.92 -0.63 -4.90 116.55 117.87 1bxr n ASP 592 Ca 0.12 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 1bxr n ASP 592 Cb 0.39 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 1bxr n ASP 592 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bxr n GLY 593 N 0.76 0.58 3.85 0.44 0.00 -0.30 -5.05 105.19 105.47 1bxr n GLY 593 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1bxr n GLY 593 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 594 N -2.00 3.38 -0.24 1.61 2.02 -0.44 -4.84 117.35 116.84 1bxr s TYR 594 Ca 0.00 1.25 -0.25 0.00 -0.37 0.00 0.00 57.07 57.70 1bxr s TYR 594 Cb 0.00 -2.57 -0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1bxr s TYR 594 CO 0.00 0.03 0.87 -2.00 -1.57 0.00 0.00 175.55 172.87 1bxr s GLU 595 N -3.16 4.20 -0.19 -0.62 2.12 -0.13 -4.19 118.70 116.73 1bxr s GLU 595 Ca 0.55 1.02 -0.09 0.00 0.36 0.00 0.00 54.97 56.81 1bxr s GLU 595 Cb -0.10 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 1bxr s GLU 595 CO 0.19 -0.53 0.10 0.95 -0.54 0.00 0.00 175.26 175.43 1bxr s THR 596 N 2.88 5.12 -0.14 -1.70 -4.23 -1.26 -0.25 115.64 116.05 1bxr s THR 596 Ca 0.37 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1bxr s THR 596 Cb -0.15 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.37 1bxr s THR 596 CO 0.07 0.45 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.79 1bxr s ILE 597 N 0.33 2.35 -0.12 2.99 1.01 -0.06 0.08 121.20 127.78 1bxr s ILE 597 Ca 0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1bxr s ILE 597 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1bxr s ILE 597 CO -0.01 0.54 -0.00 -0.32 0.00 0.00 0.00 174.94 175.14 1bxr s MET 598 N 0.73 3.32 -0.25 2.79 1.75 0.58 -1.14 119.30 127.08 1bxr s MET 598 Ca -0.08 -0.44 0.03 0.00 -1.25 0.00 0.00 55.69 53.95 1bxr s MET 598 Cb -0.16 -2.88 0.06 0.00 2.84 0.00 0.00 34.83 34.69 1bxr s MET 598 CO 0.01 0.50 -0.11 0.08 -0.65 0.00 0.00 175.02 174.85 1bxr s VAL 599 N -0.33 2.07 0.08 10.11 1.01 -0.62 -1.57 120.40 131.15 1bxr s VAL 599 Ca 0.07 -1.53 -0.26 0.00 0.00 0.00 0.00 61.98 60.25 1bxr s VAL 599 Cb -0.12 -2.18 0.08 0.00 0.00 0.00 0.00 36.38 34.16 1bxr s VAL 599 CO 0.02 -0.00 0.89 0.21 0.00 0.00 0.00 175.10 176.22 1bxr s ASN 600 N 1.16 -0.30 0.00 3.32 2.47 -1.14 0.88 114.94 121.33 1bxr s ASN 600 Ca -0.08 -0.19 0.12 0.00 0.42 0.00 0.00 52.86 53.13 1bxr s ASN 600 Cb -0.19 0.46 0.20 0.00 -1.45 0.00 0.00 41.25 40.26 1bxr s ASN 600 CO -0.06 -0.79 1.03 0.00 -3.72 0.00 0.00 177.10 173.56 1bxr s ASN 602 N -1.37 6.30 0.25 0.00 3.84 -1.26 -1.77 114.94 120.94 1bxr s ASN 602 Ca 0.16 -0.00 0.05 0.00 0.21 0.00 0.00 52.86 53.28 1bxr s ASN 602 Cb 0.18 -2.25 0.31 0.00 -0.55 0.00 0.00 41.25 38.94 1bxr s ASN 602 CO -0.08 -0.43 1.61 1.55 -2.79 0.00 0.00 177.10 176.96 1bxr h PRO 603 N 8.41 0.24 0.00 0.43 0.13 -1.92 -3.27 132.00 136.02 1bxr h PRO 603 Ca -0.28 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1bxr h PRO 603 Cb 1.13 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1bxr h PRO 603 CO 0.75 0.72 0.00 0.39 -0.23 0.00 0.00 178.00 179.63 1bxr n GLU 604 N -3.92 0.71 -4.03 0.86 1.02 -1.26 -4.73 120.64 109.28 1bxr n GLU 604 Ca -0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.84 1bxr n GLU 604 Cb 0.57 -1.01 -0.05 0.00 -0.02 0.00 0.00 31.44 30.93 1bxr n GLU 604 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1bxr s THR 605 N -2.00 4.74 0.15 2.62 -4.23 -1.23 -4.13 115.64 111.55 1bxr s THR 605 Ca 0.00 -0.86 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1bxr s THR 605 Cb 0.00 -3.38 -0.18 0.00 1.34 0.00 0.00 72.50 70.29 1bxr s THR 605 CO 0.00 -0.02 1.34 0.58 -0.54 0.00 0.00 174.62 175.98 1bxr h VAL 606 N 2.10 1.66 0.00 2.29 2.07 -1.91 -3.13 116.25 119.34 1bxr h VAL 606 Ca -0.47 -3.19 -0.01 0.00 0.82 0.00 0.00 66.70 63.86 1bxr h VAL 606 Cb 1.19 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1bxr h VAL 606 CO 0.66 0.91 -0.03 0.77 0.02 0.00 0.00 177.57 179.90 1bxr h SER 607 N 0.00 0.00 -0.41 0.57 4.64 -1.93 -0.72 113.55 115.70 1bxr h SER 607 Ca -0.01 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1bxr h SER 607 Cb 1.65 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.70 1bxr h SER 607 CO 0.12 0.03 0.08 0.35 -0.87 0.00 0.00 176.83 176.54 1bxr n THR 608 N -4.04 1.87 -3.42 2.95 -2.24 -1.18 -4.85 114.28 103.37 1bxr n THR 608 Ca -0.03 -0.94 -0.38 0.00 -2.27 0.00 0.00 64.05 60.43 1bxr n THR 608 Cb 0.11 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 1bxr n THR 608 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bxr s ASP 609 N -0.48 6.70 0.27 3.42 -1.08 -0.28 -4.97 116.67 120.26 1bxr s ASP 609 Ca 0.35 0.83 0.23 0.00 -0.52 0.00 0.00 52.55 53.44 1bxr s ASP 609 Cb 0.27 -2.26 1.03 0.00 -1.46 0.00 0.00 42.92 40.50 1bxr s ASP 609 CO 0.09 0.15 1.69 0.00 0.52 0.00 0.00 175.17 177.62 1bxr n TYR 610 N 2.90 0.78 0.09 -5.34 0.18 -1.26 -1.88 117.16 112.63 1bxr n TYR 610 Ca -0.11 0.33 -0.04 0.00 1.88 0.00 0.00 57.90 59.97 1bxr n TYR 610 Cb 0.52 -1.04 -0.02 0.00 -0.38 0.00 0.00 39.34 38.42 1bxr n TYR 610 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 1bxr h ASP 611 N 0.00 0.00 -0.31 9.48 3.32 -1.93 -3.38 116.42 123.60 1bxr h ASP 611 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bxr h ASP 611 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1bxr h ASP 611 CO 0.00 0.84 0.18 0.74 -1.72 0.00 0.00 179.24 179.28 1bxr h THR 612 N 0.00 1.04 -4.92 0.35 2.02 -1.67 -3.46 112.91 106.26 1bxr h THR 612 Ca -0.01 -0.13 -0.57 0.00 0.77 0.00 0.00 66.41 66.47 1bxr h THR 612 Cb 1.54 0.62 -0.12 0.00 -1.74 0.00 0.00 68.15 68.45 1bxr h THR 612 CO 0.11 0.07 -0.46 -1.54 0.37 0.00 0.00 175.52 174.07 1bxr n SER 613 N -4.91 1.76 -0.03 4.18 3.41 -1.26 -4.61 113.62 112.16 1bxr n SER 613 Ca -0.01 -3.15 -0.14 0.00 -0.26 0.00 0.00 58.87 55.31 1bxr n SER 613 Cb 0.05 0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 1bxr n SER 613 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bxr h ASP 614 N 1.50 0.16 -4.41 4.04 3.32 -0.70 -3.45 116.42 116.88 1bxr h ASP 614 Ca -0.34 -0.66 -0.62 0.00 0.02 0.00 0.00 57.03 55.44 1bxr h ASP 614 Cb 1.21 -0.05 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 1bxr h ASP 614 CO 0.54 0.79 -0.86 -0.13 -1.72 0.00 0.00 179.24 177.87 1bxr s ARG 615 N -3.58 1.68 -0.14 3.56 0.52 -0.07 -4.55 118.95 116.37 1bxr s ARG 615 Ca -0.16 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1bxr s ARG 615 Cb 0.01 -1.68 0.04 0.00 0.52 0.00 0.00 34.95 33.85 1bxr s ARG 615 CO 0.72 0.45 -0.03 -1.17 0.02 0.00 0.00 175.30 175.29 1bxr s LEU 616 N -0.69 1.24 -0.41 2.53 2.96 -0.61 -0.31 118.68 123.39 1bxr s LEU 616 Ca 0.08 -0.51 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 1bxr s LEU 616 Cb -0.09 -0.73 0.05 0.00 0.50 0.00 0.00 46.19 45.92 1bxr s LEU 616 CO -0.00 -0.20 0.27 -0.31 -1.32 0.00 0.00 176.35 174.79 1bxr s TYR 617 N 1.76 3.28 -1.17 5.38 2.02 -0.61 -0.76 117.35 127.25 1bxr s TYR 617 Ca 0.02 -1.13 -0.15 0.00 -0.37 0.00 0.00 57.07 55.43 1bxr s TYR 617 Cb -0.15 -2.79 0.15 0.00 -0.40 0.00 0.00 41.96 38.78 1bxr s TYR 617 CO -0.07 -0.75 1.43 0.12 -1.57 0.00 0.00 175.55 174.71 1bxr s PHE 618 N 1.53 3.31 0.08 2.71 2.19 0.12 -2.90 117.98 125.03 1bxr s PHE 618 Ca 0.03 -1.91 0.01 0.00 0.33 0.00 0.00 56.93 55.38 1bxr s PHE 618 Cb -0.22 -4.39 -0.04 0.00 -1.31 0.00 0.00 43.02 37.07 1bxr s PHE 618 CO 0.05 -1.49 -0.05 -1.21 1.83 0.00 0.00 175.22 174.35 1bxr s GLU 619 N 2.23 0.74 0.37 10.12 0.41 -1.07 -4.61 118.70 126.90 1bxr s GLU 619 Ca 0.43 -1.28 -0.27 0.00 -0.41 0.00 0.00 54.97 53.44 1bxr s GLU 619 Cb -0.02 -0.06 -0.09 0.00 -1.78 0.00 0.00 34.13 32.18 1bxr s GLU 619 CO -0.01 -0.05 1.25 -2.14 -0.49 0.00 0.00 175.26 173.83 1bxr s PRO 620 N -3.79 4.17 -1.19 0.39 0.02 -1.26 -3.75 135.00 129.59 1bxr s PRO 620 Ca 0.09 2.06 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 1bxr s PRO 620 Cb 0.06 -2.87 0.15 0.00 0.02 0.00 0.00 34.50 31.85 1bxr s PRO 620 CO -0.06 -0.29 1.45 0.08 -0.33 0.00 0.00 177.00 177.84 1bxr s VAL 621 N -1.25 4.85 0.31 3.83 1.01 -1.26 -4.62 120.40 123.27 1bxr s VAL 621 Ca 0.53 -2.39 0.04 0.00 0.00 0.00 0.00 61.98 60.17 1bxr s VAL 621 Cb -0.36 -4.94 -0.06 0.00 0.00 0.00 0.00 36.38 31.01 1bxr s VAL 621 CO 0.47 -1.67 0.03 0.42 0.00 0.00 0.00 175.10 174.34 1bxr s THR 622 N 2.14 1.32 0.07 3.92 -4.23 -1.26 -4.92 115.64 112.67 1bxr s THR 622 Ca 0.43 -2.03 -0.22 0.00 -1.18 0.00 0.00 61.69 58.70 1bxr s THR 622 Cb -0.02 -2.70 -0.13 0.00 1.34 0.00 0.00 72.50 70.99 1bxr s THR 622 CO -0.00 -0.09 1.59 0.25 -0.54 0.00 0.00 174.62 175.83 1bxr h LEU 623 N 2.15 0.14 -0.06 4.79 5.85 -1.97 -1.38 115.31 124.84 1bxr h LEU 623 Ca -0.41 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.16 1bxr h LEU 623 Cb 1.24 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1bxr h LEU 623 CO 0.70 0.29 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.82 1bxr h GLU 624 N -0.01 -0.26 -0.35 1.25 4.81 -1.97 0.12 114.58 118.18 1bxr h GLU 624 Ca 0.03 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1bxr h GLU 624 Cb 0.19 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1bxr h GLU 624 CO -0.00 -0.17 0.04 -0.44 -0.73 0.00 0.00 179.01 177.70 1bxr h ASP 625 N -0.27 0.49 0.42 1.04 3.32 -1.81 -2.27 116.42 117.35 1bxr h ASP 625 Ca 0.07 -0.08 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1bxr h ASP 625 Cb 0.37 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.80 1bxr h ASP 625 CO -0.21 0.53 -1.11 0.58 -1.72 0.00 0.00 179.24 177.31 1bxr h VAL 626 N 0.51 1.42 -0.52 -1.35 2.07 -0.94 -3.19 116.25 114.25 1bxr h VAL 626 Ca 0.11 -2.69 -0.04 0.00 0.82 0.00 0.00 66.70 64.91 1bxr h VAL 626 Cb 0.27 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1bxr h VAL 626 CO 0.00 0.80 0.18 -0.07 0.02 0.00 0.00 177.57 178.50 1bxr h LEU 627 N 0.17 0.70 -0.87 2.57 3.38 -0.62 -1.30 115.31 119.35 1bxr h LEU 627 Ca -0.12 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1bxr h LEU 627 Cb 1.78 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 1bxr h LEU 627 CO 0.19 0.66 0.19 -0.33 0.09 0.00 0.00 178.44 179.24 1bxr h GLU 628 N 0.76 1.02 -0.14 1.13 4.39 -1.41 0.97 114.58 121.29 1bxr h GLU 628 Ca 0.18 -0.21 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1bxr h GLU 628 Cb 0.20 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1bxr h GLU 628 CO -0.01 0.89 -0.78 0.82 -1.16 0.00 0.00 179.01 178.76 1bxr h ILE 629 N 0.98 1.28 -0.72 3.13 2.04 -1.49 -2.92 117.51 119.82 1bxr h ILE 629 Ca 0.21 -1.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.05 1bxr h ILE 629 Cb 0.30 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1bxr h ILE 629 CO -0.01 0.63 0.32 0.58 0.00 0.00 0.00 178.15 179.67 1bxr h VAL 630 N 0.52 1.24 -0.82 1.67 2.07 -1.00 1.40 116.25 121.32 1bxr h VAL 630 Ca -0.05 -0.72 0.15 0.00 0.82 0.00 0.00 66.70 66.90 1bxr h VAL 630 Cb 1.41 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1bxr h VAL 630 CO 0.16 0.29 0.54 -0.09 0.02 0.00 0.00 177.57 178.49 1bxr h ARG 631 N 1.01 0.50 0.02 1.57 2.43 -0.69 0.13 114.38 119.35 1bxr h ARG 631 Ca 0.24 -0.03 -0.36 0.00 -0.81 0.00 0.00 59.98 59.02 1bxr h ARG 631 Cb 0.16 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1bxr h ARG 631 CO -0.03 0.33 -2.27 0.44 -1.51 0.00 0.00 179.97 176.93 1bxr n ILE 632 N -4.51 1.50 0.01 1.20 -5.35 -0.61 -4.48 119.36 107.12 1bxr n ILE 632 Ca 0.16 -0.73 -0.15 0.00 -0.27 0.00 0.00 62.75 61.76 1bxr n ILE 632 Cb 0.53 -1.02 -0.04 0.00 -1.74 0.00 0.00 39.64 37.37 1bxr n ILE 632 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1bxr h GLU 633 N 0.01 0.65 -5.79 6.28 4.39 0.22 -3.47 114.58 116.86 1bxr h GLU 633 Ca -0.51 -0.54 -0.36 0.00 0.34 0.00 0.00 59.36 58.30 1bxr h GLU 633 Cb 2.07 0.12 0.13 0.00 -0.10 0.00 0.00 28.75 30.97 1bxr h GLU 633 CO 0.00 1.16 -0.79 1.63 -1.16 0.00 0.00 179.01 179.85 1bxr n LYS 634 N -3.89 -5.94 -1.14 2.33 5.02 0.42 -4.92 118.16 110.04 1bxr n LYS 634 Ca -0.06 0.77 -0.31 0.00 -2.02 0.00 0.00 58.31 56.69 1bxr n LYS 634 Cb 0.74 -5.63 0.12 0.00 -0.02 0.00 0.00 35.03 30.24 1bxr n LYS 634 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1bxr s PRO 635 N -5.55 1.76 0.01 1.97 0.04 -1.26 -4.84 135.00 127.13 1bxr s PRO 635 Ca 0.01 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 1bxr s PRO 635 Cb -0.00 -1.84 -0.18 0.00 0.04 0.00 0.00 34.50 32.52 1bxr s PRO 635 CO 0.76 -1.98 1.32 -0.22 0.04 0.00 0.00 177.00 176.91 1bxr h LYS 636 N -1.38 0.14 -3.18 4.56 3.64 -0.59 -3.47 116.57 116.31 1bxr h LYS 636 Ca -0.45 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1bxr h LYS 636 Cb 1.25 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.98 1bxr h LYS 636 CO 0.50 0.57 0.11 0.20 -2.27 0.00 0.00 179.45 178.56 1bxr s GLY 637 N -3.24 -0.21 -0.04 5.01 0.00 -0.89 -4.82 107.32 103.12 1bxr s GLY 637 Ca -0.15 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.53 1bxr s GLY 637 CO 0.71 -0.13 -0.17 0.14 0.00 0.00 0.00 173.10 173.64 1bxr s VAL 638 N -3.85 1.40 -0.24 1.40 1.01 0.20 -0.12 120.40 120.20 1bxr s VAL 638 Ca 0.08 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 1bxr s VAL 638 Cb -0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1bxr s VAL 638 CO -0.03 0.40 0.13 -0.63 0.00 0.00 0.00 175.10 174.97 1bxr s ILE 639 N 0.02 5.01 -0.39 2.22 1.01 0.31 0.31 121.20 129.69 1bxr s ILE 639 Ca -0.03 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1bxr s ILE 639 Cb -0.11 -3.33 0.07 0.00 0.01 0.00 0.00 42.46 39.09 1bxr s ILE 639 CO 0.02 0.34 0.85 1.33 0.00 0.00 0.00 174.94 177.49 1bxr n VAL 640 N 4.47 0.50 1.09 2.92 0.24 -1.26 -2.44 118.33 123.85 1bxr n VAL 640 Ca -0.15 -0.75 0.12 0.00 -2.04 0.00 0.00 64.34 61.51 1bxr n VAL 640 Cb 0.52 0.79 0.13 0.00 -1.47 0.00 0.00 33.84 33.81 1bxr n VAL 640 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bxr n GLN 641 N 0.03 1.03 -0.23 7.34 3.00 -1.26 -3.50 117.38 123.79 1bxr n GLN 641 Ca 0.03 -0.78 0.06 0.00 -0.01 0.00 0.00 57.00 56.30 1bxr n GLN 641 Cb 0.20 -1.48 0.16 0.00 0.00 0.00 0.00 30.24 29.12 1bxr n GLN 641 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1bxr n TYR 642 N -0.30 0.50 -1.97 1.08 4.02 -1.26 -2.44 117.16 116.78 1bxr n TYR 642 Ca 0.10 -0.69 -0.01 0.00 -0.01 0.00 0.00 57.90 57.30 1bxr n TYR 642 Cb 0.42 -0.14 0.12 0.00 -0.02 0.00 0.00 39.34 39.72 1bxr n TYR 642 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bxr n GLY 643 N -0.23 4.24 6.09 2.72 0.00 -1.24 -4.47 105.19 112.30 1bxr n GLY 643 Ca 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1bxr n GLY 643 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 644 N -0.65 -1.58 0.19 -0.02 0.00 -1.26 -3.89 105.19 97.98 1bxr n GLY 644 Ca 0.20 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.86 1bxr n GLY 644 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1bxr h GLN 645 N 0.00 0.00 0.00 1.61 5.75 -1.94 -3.29 115.11 117.23 1bxr h GLN 645 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1bxr h GLN 645 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1bxr h GLN 645 CO 0.00 0.35 0.00 0.25 -2.65 0.00 0.00 178.83 176.78 1bxr n THR 646 N -3.84 0.00 0.32 2.39 -2.24 -1.26 -0.63 114.28 109.02 1bxr n THR 646 Ca -0.01 1.33 0.19 0.00 -2.27 0.00 0.00 64.05 63.29 1bxr n THR 646 Cb 0.43 -2.18 1.06 0.00 -2.10 0.00 0.00 70.33 67.54 1bxr n THR 646 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1bxr h PRO 647 N 0.00 0.00 -0.32 -0.78 0.13 -1.78 0.14 132.00 129.39 1bxr h PRO 647 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1bxr h PRO 647 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1bxr h PRO 647 CO 0.00 0.01 0.00 1.25 -0.23 0.00 0.00 178.00 179.03 1bxr h LEU 648 N 0.00 0.55 -1.01 1.56 5.85 -1.54 -1.69 115.31 119.04 1bxr h LEU 648 Ca -0.00 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 1bxr h LEU 648 Cb 0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1bxr h LEU 648 CO 0.00 0.72 -0.45 0.11 -0.34 0.00 0.00 178.44 178.48 1bxr h LYS 649 N 0.37 0.00 0.00 1.25 1.57 0.16 -3.06 116.57 116.86 1bxr h LYS 649 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1bxr h LYS 649 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1bxr h LYS 649 CO 0.02 0.45 -0.29 -0.07 -0.57 0.00 0.00 179.45 178.98 1bxr h LEU 650 N 0.00 0.00 -0.90 2.94 3.38 -1.07 -3.40 115.31 116.27 1bxr h LEU 650 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1bxr h LEU 650 Cb 0.88 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.52 1bxr h LEU 650 CO 0.06 0.29 -0.53 0.00 0.09 0.00 0.00 178.44 178.35 1bxr n ALA 651 N -2.21 -0.58 0.09 1.53 0.00 -0.66 -0.92 120.51 117.78 1bxr n ALA 651 Ca 0.01 0.76 -0.12 0.00 0.00 0.00 0.00 53.44 54.09 1bxr n ALA 651 Cb 0.56 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 1bxr n ALA 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bxr h ARG 652 N 0.00 -0.47 -0.95 0.00 3.08 -1.82 -0.15 114.38 114.08 1bxr h ARG 652 Ca 0.14 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.30 1bxr h ARG 652 Cb 0.37 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.46 1bxr h ARG 652 CO -0.85 -0.31 0.61 0.00 -1.07 0.00 0.00 179.97 178.35 1bxr h ALA 653 N 0.23 1.50 -0.20 0.04 0.00 -1.63 0.33 119.26 119.51 1bxr h ALA 653 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1bxr h ALA 653 Cb 0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1bxr h ALA 653 CO -0.21 0.34 0.06 -0.07 0.00 0.00 0.00 179.25 179.37 1bxr h LEU 654 N 1.05 0.30 -0.51 0.00 3.38 -0.33 -1.45 115.31 117.75 1bxr h LEU 654 Ca 0.42 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1bxr h LEU 654 Cb 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1bxr h LEU 654 CO -0.17 0.44 0.05 -0.08 0.09 0.00 0.00 178.44 178.76 1bxr h GLU 655 N 0.15 0.88 0.00 1.13 4.81 -0.60 0.29 114.58 121.24 1bxr h GLU 655 Ca 0.07 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1bxr h GLU 655 Cb 0.25 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1bxr h GLU 655 CO -0.00 0.88 -0.01 0.00 -0.73 0.00 0.00 179.01 179.15 1bxr h ALA 656 N 0.96 1.80 -0.41 2.92 0.00 -0.83 -1.41 119.26 122.29 1bxr h ALA 656 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bxr h ALA 656 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bxr h ALA 656 CO 0.02 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1bxr n ALA 657 N -2.46 3.20 -0.60 0.00 0.00 -0.54 -4.88 120.51 115.24 1bxr n ALA 657 Ca -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1bxr n ALA 657 Cb 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1bxr n ALA 657 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 658 N 0.62 0.77 3.75 0.00 0.00 -0.53 -5.03 105.19 104.78 1bxr n GLY 658 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1bxr n GLY 658 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 659 N -2.84 3.35 -1.26 1.61 1.01 0.92 -4.92 120.40 118.27 1bxr s VAL 659 Ca 0.00 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.09 1bxr s VAL 659 Cb 0.00 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.70 1bxr s VAL 659 CO 0.00 0.26 1.59 -0.81 0.00 0.00 0.00 175.10 176.14 1bxr n PRO 660 N 1.64 3.30 -2.35 2.72 -0.04 -1.26 -4.18 135.00 134.82 1bxr n PRO 660 Ca 0.01 -3.58 -0.43 0.00 -0.04 0.00 0.00 63.50 59.47 1bxr n PRO 660 Cb 0.44 -3.23 -0.02 0.00 -0.04 0.00 0.00 33.50 30.64 1bxr n PRO 660 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bxr s VAL 661 N 2.67 4.16 0.43 0.52 1.01 -1.26 -0.63 120.40 127.29 1bxr s VAL 661 Ca 0.47 1.40 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 1bxr s VAL 661 Cb 0.01 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1bxr s VAL 661 CO 0.03 -0.12 0.66 0.27 0.00 0.00 0.00 175.10 175.94 1bxr s ILE 662 N 3.53 4.46 0.00 2.22 -4.36 0.15 -4.84 121.20 122.36 1bxr s ILE 662 Ca 0.58 -0.37 0.00 0.00 -0.26 0.00 0.00 60.65 60.60 1bxr s ILE 662 Cb -0.24 -3.65 0.00 0.00 1.25 0.00 0.00 42.46 39.82 1bxr s ILE 662 CO 0.17 -0.48 0.00 0.61 0.24 0.00 0.00 174.94 175.48 1bxr n GLY 663 N -2.03 -1.17 3.61 6.27 0.00 -1.25 -4.59 105.19 106.03 1bxr n GLY 663 Ca -0.01 -1.24 -0.55 0.00 0.00 0.00 0.00 46.02 44.23 1bxr n GLY 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bxr n THR 664 N -0.10 0.07 -1.08 2.61 -1.04 -0.03 -4.75 114.28 109.95 1bxr n THR 664 Ca 0.00 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.70 1bxr n THR 664 Cb 0.00 -0.78 0.14 0.00 -1.82 0.00 0.00 70.33 67.87 1bxr n THR 664 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1bxr s SER 665 N 1.22 3.51 0.30 8.00 1.04 -1.26 -4.76 113.70 121.75 1bxr s SER 665 Ca 0.90 1.72 0.04 0.00 0.48 0.00 0.00 55.95 59.08 1bxr s SER 665 Cb -1.05 -2.36 0.46 0.00 0.10 0.00 0.00 66.02 63.17 1bxr s SER 665 CO 0.54 -2.65 1.74 -0.65 0.98 0.00 0.00 173.24 173.20 1bxr h PRO 666 N -1.56 0.39 -0.22 4.02 0.11 -1.91 1.04 132.00 133.87 1bxr h PRO 666 Ca -0.47 -0.15 -0.11 0.00 0.11 0.00 0.00 66.00 65.37 1bxr h PRO 666 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1bxr h PRO 666 CO 0.51 0.64 -0.31 0.22 -0.21 0.00 0.00 178.00 178.85 1bxr h ASP 667 N 0.34 0.66 -0.73 -2.05 3.58 -1.97 -1.69 116.42 114.55 1bxr h ASP 667 Ca 0.05 -0.51 0.01 0.00 0.42 0.00 0.00 57.03 56.99 1bxr h ASP 667 Cb 0.67 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.50 1bxr h ASP 667 CO 0.05 1.04 0.48 0.00 -2.88 0.00 0.00 179.24 177.93 1bxr h ALA 668 N 0.64 0.93 -0.77 -0.78 0.00 -1.64 -0.10 119.26 117.54 1bxr h ALA 668 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1bxr h ALA 668 Cb 0.89 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1bxr h ALA 668 CO 0.07 0.36 0.38 0.82 0.00 0.00 0.00 179.25 180.88 1bxr h ILE 669 N 0.99 1.24 -0.37 0.00 2.04 0.12 -2.47 117.51 119.07 1bxr h ILE 669 Ca 0.27 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1bxr h ILE 669 Cb -0.10 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1bxr h ILE 669 CO -0.06 0.29 -0.00 -0.78 0.00 0.00 0.00 178.15 177.60 1bxr h ASP 670 N 1.09 0.55 -0.75 1.72 3.58 -0.49 0.55 116.42 122.66 1bxr h ASP 670 Ca 0.27 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1bxr h ASP 670 Cb 0.11 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1bxr h ASP 670 CO -0.03 0.62 0.49 0.03 -2.88 0.00 0.00 179.24 177.47 1bxr h ARG 671 N 0.55 0.94 0.16 0.28 3.08 -0.57 0.13 114.38 118.95 1bxr h ARG 671 Ca 0.12 -0.06 -0.33 0.00 0.07 0.00 0.00 59.98 59.78 1bxr h ARG 671 Cb 0.36 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1bxr h ARG 671 CO 0.01 0.62 -1.67 0.00 -1.07 0.00 0.00 179.97 177.86 1bxr h ALA 672 N 1.55 0.19 -0.06 0.04 0.00 -1.29 -1.82 119.26 117.87 1bxr h ALA 672 Ca 0.28 -1.15 -0.15 0.00 0.00 0.00 0.00 54.91 53.89 1bxr h ALA 672 Cb -0.04 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bxr h ALA 672 CO -0.07 0.99 -0.63 0.93 0.00 0.00 0.00 179.25 180.47 1bxr h GLU 673 N -0.02 0.23 -5.86 0.00 4.39 0.21 -3.43 114.58 110.10 1bxr h GLU 673 Ca -0.34 -0.17 -0.59 0.00 0.34 0.00 0.00 59.36 58.60 1bxr h GLU 673 Cb 1.99 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 30.58 1bxr h GLU 673 CO 0.13 0.79 0.53 0.34 -1.16 0.00 0.00 179.01 179.64 1bxr s ASP 674 N -6.90 6.84 0.46 1.42 -1.08 0.45 -2.47 116.67 115.41 1bxr s ASP 674 Ca -0.04 1.02 0.12 0.00 -0.52 0.00 0.00 52.55 53.13 1bxr s ASP 674 Cb 0.12 -2.45 1.06 0.00 -1.46 0.00 0.00 42.92 40.19 1bxr s ASP 674 CO 0.80 -0.58 2.09 0.03 0.52 0.00 0.00 175.17 178.04 1bxr h ARG 675 N 7.76 0.24 -0.04 4.34 3.08 -1.82 0.62 114.38 128.56 1bxr h ARG 675 Ca -0.23 -0.02 -0.25 0.00 0.07 0.00 0.00 59.98 59.55 1bxr h ARG 675 Cb 1.09 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 31.10 1bxr h ARG 675 CO 0.90 0.18 -0.97 1.49 -1.07 0.00 0.00 179.97 180.49 1bxr h GLU 676 N 0.24 0.72 -0.52 0.04 4.81 -1.92 -1.42 114.58 116.53 1bxr h GLU 676 Ca 0.06 -0.72 -0.11 0.00 -0.13 0.00 0.00 59.36 58.47 1bxr h GLU 676 Cb 0.01 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1bxr h GLU 676 CO -0.01 1.30 -0.11 0.00 -0.73 0.00 0.00 179.01 179.46 1bxr h ARG 677 N 0.43 0.97 -0.32 1.92 2.47 -1.67 -2.00 114.38 116.17 1bxr h ARG 677 Ca -0.11 -0.35 -0.06 0.00 -1.26 0.00 0.00 59.98 58.20 1bxr h ARG 677 Cb 1.62 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.86 1bxr h ARG 677 CO 0.19 1.02 -0.03 0.35 0.56 0.00 0.00 179.97 182.06 1bxr h PHE 678 N 0.87 0.64 -0.90 3.04 3.57 0.02 -2.33 116.94 121.85 1bxr h PHE 678 Ca 0.14 -0.12 0.16 0.00 3.53 0.00 0.00 57.97 61.67 1bxr h PHE 678 Cb 0.65 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 1bxr h PHE 678 CO 0.04 0.73 0.49 0.37 -2.23 0.00 0.00 178.31 177.71 1bxr h GLN 679 N 0.37 0.66 -0.15 1.11 4.15 -1.01 -2.02 115.11 118.22 1bxr h GLN 679 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1bxr h GLN 679 Cb 0.49 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1bxr h GLN 679 CO 0.02 0.44 0.05 1.25 -1.93 0.00 0.00 178.83 178.66 1bxr h HIS 680 N 0.68 0.24 -0.62 3.99 2.76 -1.07 -2.28 115.15 118.84 1bxr h HIS 680 Ca 0.50 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.76 1bxr h HIS 680 Cb 0.71 -0.07 -0.09 0.00 1.55 0.00 0.00 27.41 29.51 1bxr h HIS 680 CO -0.06 0.34 0.13 0.00 -1.30 0.00 0.00 177.93 177.03 1bxr h ALA 681 N 0.87 0.73 -0.53 5.26 0.00 -0.88 1.39 119.26 126.10 1bxr h ALA 681 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bxr h ALA 681 Cb 0.21 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1bxr h ALA 681 CO -0.00 -0.31 0.31 0.28 0.00 0.00 0.00 179.25 179.53 1bxr h VAL 682 N 0.25 1.17 0.09 0.00 2.07 -1.20 -1.16 116.25 117.47 1bxr h VAL 682 Ca 0.33 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1bxr h VAL 682 Cb 0.50 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1bxr h VAL 682 CO -0.42 0.17 -0.04 -0.08 0.02 0.00 0.00 177.57 177.22 1bxr h GLU 683 N 0.72 -0.11 -0.19 1.57 4.57 -0.26 -0.29 114.58 120.59 1bxr h GLU 683 Ca 0.19 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1bxr h GLU 683 Cb 0.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1bxr h GLU 683 CO -0.03 0.12 0.21 -0.09 -1.18 0.00 0.00 179.01 178.04 1bxr h ARG 684 N -0.34 0.00 -0.01 1.92 2.43 0.20 0.40 114.38 118.99 1bxr h ARG 684 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1bxr h ARG 684 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1bxr h ARG 684 CO 0.02 0.00 -0.33 1.28 -1.51 0.00 0.00 179.97 179.43 1bxr n LEU 685 N -3.76 0.88 -2.12 3.80 4.77 -0.46 -4.92 117.00 115.18 1bxr n LEU 685 Ca 0.02 -0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 55.66 1bxr n LEU 685 Cb 0.34 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1bxr n LEU 685 CO 0.27 0.17 0.01 0.29 -1.33 0.00 0.00 177.39 176.80 1bxr n LYS 686 N -0.89 -3.38 -3.11 3.23 4.01 0.14 -5.01 118.16 113.16 1bxr n LYS 686 Ca 0.10 0.61 -0.18 0.00 -0.51 0.00 0.00 58.31 58.33 1bxr n LYS 686 Cb 0.34 -4.85 0.01 0.00 -0.51 0.00 0.00 35.03 30.02 1bxr n LYS 686 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bxr s LEU 687 N -4.67 3.71 -0.18 -0.35 1.43 -0.19 -5.04 118.68 113.39 1bxr s LEU 687 Ca 0.21 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 1bxr s LEU 687 Cb -0.09 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1bxr s LEU 687 CO 0.26 -0.70 0.08 -0.75 0.23 0.00 0.00 176.35 175.47 1bxr s LYS 688 N -4.36 4.02 0.07 1.70 2.20 -1.26 -4.60 119.74 117.51 1bxr s LYS 688 Ca 0.52 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.80 1bxr s LYS 688 Cb -0.10 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1bxr s LYS 688 CO 0.33 0.29 0.02 -1.14 -0.36 0.00 0.00 175.35 174.50 1bxr s GLN 689 N 0.33 0.70 0.94 4.03 0.74 -1.26 -1.12 119.66 124.01 1bxr s GLN 689 Ca 0.05 -1.22 -0.16 0.00 0.05 0.00 0.00 55.36 54.08 1bxr s GLN 689 Cb -0.12 0.24 0.23 0.00 1.10 0.00 0.00 33.01 34.46 1bxr s GLN 689 CO -0.00 -0.16 0.82 -2.30 -0.55 0.00 0.00 175.29 173.10 1bxr n PRO 690 N 0.05 -2.67 -2.56 1.67 -0.02 -1.26 -4.91 135.00 125.29 1bxr n PRO 690 Ca -0.13 -1.32 -0.43 0.00 -2.02 0.00 0.00 63.50 59.61 1bxr n PRO 690 Cb 0.62 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.83 1bxr n PRO 690 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bxr s ALA 691 N -2.99 3.68 0.32 3.55 0.00 -1.26 -4.89 121.76 120.16 1bxr s ALA 691 Ca 0.54 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1bxr s ALA 691 Cb -0.05 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1bxr s ALA 691 CO 0.41 -1.10 0.66 0.54 0.00 0.00 0.00 175.76 176.27 1bxr s ASN 692 N 1.52 0.02 -0.10 0.00 2.20 -1.26 -0.57 114.94 116.75 1bxr s ASN 692 Ca 0.48 -0.98 -0.21 0.00 -0.94 0.00 0.00 52.86 51.22 1bxr s ASN 692 Cb -0.18 0.73 0.05 0.00 -2.00 0.00 0.00 41.25 39.85 1bxr s ASN 692 CO 0.10 -1.41 0.50 0.00 -2.94 0.00 0.00 177.10 173.35 1bxr s ALA 693 N -3.29 -1.28 -0.18 3.54 0.00 -1.07 -5.01 121.76 114.47 1bxr s ALA 693 Ca 0.18 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 53.13 1bxr s ALA 693 Cb -0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 1bxr s ALA 693 CO 0.11 -0.29 0.15 0.99 0.00 0.00 0.00 175.76 176.72 1bxr s THR 694 N -0.60 5.41 0.08 0.00 2.01 -1.26 -0.67 115.64 120.61 1bxr s THR 694 Ca -0.07 0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1bxr s THR 694 Cb -0.03 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1bxr s THR 694 CO 0.04 0.46 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 1bxr s VAL 695 N 0.16 0.59 0.00 3.82 1.01 0.19 -4.94 120.40 121.23 1bxr s VAL 695 Ca 0.10 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1bxr s VAL 695 Cb -0.11 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1bxr s VAL 695 CO -0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.10 174.77 1bxr n THR 696 N 0.43 0.00 -4.11 3.92 -1.04 -1.26 -1.59 114.28 110.63 1bxr n THR 696 Ca -0.16 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1bxr n THR 696 Cb 0.59 0.52 -0.12 0.00 -1.82 0.00 0.00 70.33 69.49 1bxr n THR 696 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bxr s ALA 697 N -1.78 0.63 0.14 2.41 0.00 -1.26 -5.03 121.76 116.86 1bxr s ALA 697 Ca 0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.02 1bxr s ALA 697 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1bxr s ALA 697 CO 0.00 0.03 1.61 0.82 0.00 0.00 0.00 175.76 178.22 1bxr h ILE 698 N 4.58 0.30 -0.50 0.00 2.04 -1.97 0.19 117.51 122.15 1bxr h ILE 698 Ca -0.35 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.59 1bxr h ILE 698 Cb 1.20 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 1bxr h ILE 698 CO 0.43 0.00 0.15 -0.33 0.00 0.00 0.00 178.15 178.39 1bxr h GLU 699 N -0.39 0.30 -0.38 2.37 3.07 -1.98 0.94 114.58 118.51 1bxr h GLU 699 Ca 0.09 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1bxr h GLU 699 Cb 0.54 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1bxr h GLU 699 CO -0.35 0.20 0.06 1.98 -1.40 0.00 0.00 179.01 179.50 1bxr h MET 700 N 0.31 0.63 -0.36 2.33 4.05 -1.93 -0.93 114.93 119.02 1bxr h MET 700 Ca 0.24 -0.17 0.06 0.00 -0.28 0.00 0.00 59.70 59.55 1bxr h MET 700 Cb 0.29 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.96 1bxr h MET 700 CO -0.27 0.69 0.02 0.00 0.23 0.00 0.00 176.91 177.58 1bxr h ALA 701 N 0.91 0.35 -0.54 0.39 0.00 0.79 0.26 119.26 121.42 1bxr h ALA 701 Ca 0.11 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1bxr h ALA 701 Cb 0.37 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1bxr h ALA 701 CO 0.01 -0.38 0.21 0.28 0.00 0.00 0.00 179.25 179.37 1bxr h VAL 702 N 0.13 0.83 -0.28 0.00 2.07 0.10 0.47 116.25 119.58 1bxr h VAL 702 Ca 0.18 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1bxr h VAL 702 Cb 0.24 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1bxr h VAL 702 CO -0.28 0.07 0.12 -0.08 0.02 0.00 0.00 177.57 177.43 1bxr h GLU 703 N 0.40 0.41 -0.44 1.57 4.57 0.15 -2.87 114.58 118.37 1bxr h GLU 703 Ca 0.26 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.29 1bxr h GLU 703 Cb 0.28 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1bxr h GLU 703 CO -0.25 0.42 -0.08 -0.22 -1.18 0.00 0.00 179.01 177.71 1bxr h LYS 704 N 0.31 0.77 -0.78 1.92 1.63 0.14 -2.78 116.57 117.79 1bxr h LYS 704 Ca 0.09 -0.24 0.10 0.00 -0.85 0.00 0.00 60.65 59.76 1bxr h LYS 704 Cb 0.16 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.64 1bxr h LYS 704 CO -0.01 0.83 0.42 0.00 -3.45 0.00 0.00 179.45 177.24 1bxr h ALA 705 N 1.21 1.11 -1.01 5.00 0.00 0.13 0.61 119.26 126.31 1bxr h ALA 705 Ca 0.13 0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.31 1bxr h ALA 705 Cb 0.54 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 1bxr h ALA 705 CO 0.03 0.01 0.61 0.87 0.00 0.00 0.00 179.25 180.77 1bxr h LYS 706 N 0.69 0.63 0.45 0.00 1.57 -1.29 0.21 116.57 118.83 1bxr h LYS 706 Ca 0.39 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1bxr h LYS 706 Cb 0.40 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1bxr h LYS 706 CO -0.27 0.42 -0.21 0.93 -0.57 0.00 0.00 179.45 179.74 1bxr h GLU 707 N 0.65 -0.58 -0.41 3.15 5.08 -0.98 -3.31 114.58 118.19 1bxr h GLU 707 Ca 0.61 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 59.08 1bxr h GLU 707 Cb 1.10 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1bxr h GLU 707 CO -0.42 -0.39 0.06 0.82 -1.00 0.00 0.00 179.01 178.09 1bxr h ILE 708 N -0.96 0.77 0.00 3.13 2.04 -0.89 -3.49 117.51 118.11 1bxr h ILE 708 Ca -0.06 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1bxr h ILE 708 Cb 0.46 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1bxr h ILE 708 CO 0.10 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.89 1bxr n GLY 709 N -1.26 0.10 3.91 5.37 0.00 0.70 -4.90 105.19 109.11 1bxr n GLY 709 Ca 0.03 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 1bxr n GLY 709 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxr s TYR 710 N -2.14 3.38 0.77 1.61 1.51 -1.26 -4.42 117.35 116.81 1bxr s TYR 710 Ca 0.00 0.80 -0.12 0.00 -1.01 0.00 0.00 57.07 56.74 1bxr s TYR 710 Cb 0.00 -2.66 0.06 0.00 -0.11 0.00 0.00 41.96 39.25 1bxr s TYR 710 CO 0.00 -0.70 1.14 -1.25 -1.11 0.00 0.00 175.55 173.63 1bxr s PRO 711 N -4.98 2.28 0.00 -1.71 0.04 -1.26 -4.95 135.00 124.42 1bxr s PRO 711 Ca 0.53 0.28 -0.09 0.00 0.04 0.00 0.00 61.00 61.75 1bxr s PRO 711 Cb -0.11 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1bxr s PRO 711 CO 0.47 -1.41 0.18 -1.17 0.04 0.00 0.00 177.00 175.11 1bxr s LEU 712 N -5.52 1.37 -0.21 -3.56 0.20 0.36 -0.26 118.68 111.06 1bxr s LEU 712 Ca 0.61 -0.16 -0.11 0.00 0.69 0.00 0.00 54.13 55.16 1bxr s LEU 712 Cb -0.11 0.84 -0.05 0.00 -0.43 0.00 0.00 46.19 46.44 1bxr s LEU 712 CO 0.50 -0.41 0.17 -0.69 -0.29 0.00 0.00 176.35 175.64 1bxr s VAL 713 N -1.49 5.37 -0.52 1.68 1.01 0.32 0.68 120.40 127.46 1bxr s VAL 713 Ca -0.14 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 1bxr s VAL 713 Cb -0.06 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1bxr s VAL 713 CO 0.02 0.39 0.78 -0.69 0.00 0.00 0.00 175.10 175.60 1bxr s VAL 714 N 0.67 4.64 -0.31 2.92 1.01 -0.33 -0.28 120.40 128.72 1bxr s VAL 714 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1bxr s VAL 714 Cb -0.12 -4.40 0.09 0.00 0.00 0.00 0.00 36.38 31.94 1bxr s VAL 714 CO 0.01 -0.92 -0.01 -0.13 0.00 0.00 0.00 175.10 174.06 1bxr s ARG 715 N 3.27 1.72 0.86 2.72 0.52 0.21 -3.33 118.95 124.92 1bxr s ARG 715 Ca 0.23 -1.65 -0.10 0.00 -0.52 0.00 0.00 55.73 53.69 1bxr s ARG 715 Cb -0.15 -3.04 0.11 0.00 0.52 0.00 0.00 34.95 32.38 1bxr s ARG 715 CO 0.16 -0.81 1.11 -2.14 0.02 0.00 0.00 175.30 173.65 1bxr s PRO 716 N 1.01 1.47 0.56 3.54 0.02 -1.26 -0.09 135.00 140.25 1bxr s PRO 716 Ca 0.04 1.30 -0.10 0.00 0.02 0.00 0.00 61.00 62.26 1bxr s PRO 716 Cb -0.19 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1bxr s PRO 716 CO -0.07 -2.23 0.95 -1.12 -0.33 0.00 0.00 177.00 174.19 1bxr s SER 717 N -3.03 6.29 -1.59 2.53 0.01 -1.12 -4.40 113.70 112.39 1bxr s SER 717 Ca 0.64 1.29 -0.15 0.00 1.31 0.00 0.00 55.95 59.04 1bxr s SER 717 Cb -0.20 -2.41 0.11 0.00 0.21 0.00 0.00 66.02 63.73 1bxr s SER 717 CO 0.57 -0.74 0.88 -1.22 0.41 0.00 0.00 173.24 173.13 1bxr n TYR 718 N -2.45 -2.05 -4.25 2.43 4.01 -1.03 -4.08 117.16 109.74 1bxr n TYR 718 Ca 0.04 0.86 -0.16 0.00 -0.16 0.00 0.00 57.90 58.48 1bxr n TYR 718 Cb 0.54 -3.59 -0.10 0.00 -0.31 0.00 0.00 39.34 35.88 1bxr n TYR 718 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1bxr s VAL 719 N -3.34 1.25 0.36 -0.72 -7.23 -1.26 -4.90 120.40 104.56 1bxr s VAL 719 Ca 0.64 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1bxr s VAL 719 Cb -0.33 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1bxr s VAL 719 CO 0.87 -0.62 0.06 0.00 -0.31 0.00 0.00 175.10 175.10 1bxr n LEU 720 N 0.06 0.00 -0.19 1.32 -0.00 -1.26 -4.80 117.00 112.13 1bxr n LEU 720 Ca -0.12 -2.51 -0.02 0.00 -0.00 0.00 0.00 56.01 53.35 1bxr n LEU 720 Cb 0.59 0.57 -0.01 0.00 -0.00 0.00 0.00 43.42 44.57 1bxr n LEU 720 CO 0.31 -0.37 -0.02 0.61 -0.00 0.00 0.00 177.39 177.91 1bxr n GLY 721 N -0.01 0.20 2.45 1.47 0.00 -1.26 -2.70 105.19 105.34 1bxr n GLY 721 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1bxr n GLY 721 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxr n GLY 722 N 0.66 -0.27 3.68 -0.02 0.00 -1.26 -0.72 105.19 107.26 1bxr n GLY 722 Ca -0.02 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 1bxr n GLY 722 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bxr n ARG 723 N -2.78 2.36 -1.12 1.61 3.00 -1.10 -1.05 116.66 117.59 1bxr n ARG 723 Ca -0.15 0.86 -0.04 0.00 -0.00 0.00 0.00 57.85 58.52 1bxr n ARG 723 Cb 0.63 -2.72 -0.02 0.00 0.00 0.00 0.00 32.46 30.35 1bxr n ARG 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bxr n ALA 724 N 6.13 -0.06 -1.91 5.13 0.00 -1.26 -4.73 120.51 123.81 1bxr n ALA 724 Ca 0.21 0.07 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 1bxr n ALA 724 Cb 0.32 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 1bxr n ALA 724 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1bxr s MET 725 N -1.87 4.53 -0.09 0.00 -1.94 -0.21 -4.50 119.30 115.21 1bxr s MET 725 Ca 0.00 1.19 -0.22 0.00 -1.71 0.00 0.00 55.69 54.95 1bxr s MET 725 Cb 0.00 -3.00 0.05 0.00 2.01 0.00 0.00 34.83 33.89 1bxr s MET 725 CO 0.00 0.41 0.51 -2.00 -0.01 0.00 0.00 175.02 173.94 1bxr s GLU 726 N -1.70 0.78 -0.28 2.03 2.56 -1.21 -4.42 118.70 116.47 1bxr s GLU 726 Ca 0.44 0.28 -0.20 0.00 0.00 0.00 0.00 54.97 55.49 1bxr s GLU 726 Cb -0.20 0.37 -0.02 0.00 2.00 0.00 0.00 34.13 36.28 1bxr s GLU 726 CO 0.25 -0.20 0.60 0.42 -0.56 0.00 0.00 175.26 175.77 1bxr s ILE 727 N -0.73 4.99 -0.12 -3.70 1.01 -1.26 -1.19 121.20 120.20 1bxr s ILE 727 Ca -0.08 0.96 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 1bxr s ILE 727 Cb -0.03 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1bxr s ILE 727 CO 0.05 -0.02 0.09 0.68 0.00 0.00 0.00 174.94 175.74 1bxr s VAL 728 N 2.49 5.07 -0.06 2.92 -7.23 0.22 -4.91 120.40 118.91 1bxr s VAL 728 Ca 0.24 0.05 0.13 0.00 -1.81 0.00 0.00 61.98 60.59 1bxr s VAL 728 Cb -0.15 -3.20 -0.20 0.00 0.56 0.00 0.00 36.38 33.39 1bxr s VAL 728 CO 0.10 0.60 0.30 -1.22 -0.31 0.00 0.00 175.10 174.57 1bxr n TYR 729 N 2.20 0.00 -3.83 2.82 4.01 -1.26 -0.49 117.16 120.62 1bxr n TYR 729 Ca -0.19 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.48 1bxr n TYR 729 Cb 0.54 -0.28 0.01 0.00 -0.31 0.00 0.00 39.34 39.30 1bxr n TYR 729 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1bxr s ASP 730 N -3.43 -0.09 0.18 7.72 1.47 -1.26 -4.80 116.67 116.47 1bxr s ASP 730 Ca -0.04 -0.81 -0.21 0.00 1.18 0.00 0.00 52.55 52.66 1bxr s ASP 730 Cb 0.08 0.70 0.11 0.00 -0.34 0.00 0.00 42.92 43.48 1bxr s ASP 730 CO 0.55 -1.36 1.58 -0.08 0.68 0.00 0.00 175.17 176.54 1bxr h GLU 731 N 2.00 -0.16 0.00 2.11 4.81 -1.98 0.16 114.58 121.51 1bxr h GLU 731 Ca -0.27 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1bxr h GLU 731 Cb 1.24 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1bxr h GLU 731 CO 0.33 -0.11 -0.12 0.00 -0.73 0.00 0.00 179.01 178.38 1bxr h ALA 732 N 0.94 1.04 -0.40 2.92 0.00 -1.99 -1.33 119.26 120.45 1bxr h ALA 732 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1bxr h ALA 732 Cb 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bxr h ALA 732 CO -0.69 0.15 0.04 -0.44 0.00 0.00 0.00 179.25 178.31 1bxr h ASP 733 N 0.00 0.66 0.15 0.00 5.19 -1.13 -3.14 116.42 118.15 1bxr h ASP 733 Ca -0.00 -0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.14 1bxr h ASP 733 Cb 0.59 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 1bxr h ASP 733 CO 0.02 0.78 -0.35 0.25 -3.12 0.00 0.00 179.24 176.81 1bxr h LEU 734 N 0.52 -1.02 -2.13 1.55 5.85 -0.39 -2.82 115.31 116.87 1bxr h LEU 734 Ca 0.12 0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1bxr h LEU 734 Cb 0.42 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1bxr h LEU 734 CO 0.01 -0.44 0.13 0.03 -0.34 0.00 0.00 178.44 177.83 1bxr h ARG 735 N -0.60 0.00 -0.01 1.25 3.08 -1.34 0.28 114.38 117.04 1bxr h ARG 735 Ca 0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 1bxr h ARG 735 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1bxr h ARG 735 CO -0.19 0.00 -0.79 -0.09 -1.07 0.00 0.00 179.97 177.84 1bxr h ARG 736 N 0.00 0.12 -0.00 0.04 2.43 -1.45 -3.36 114.38 112.16 1bxr h ARG 736 Ca 0.08 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1bxr h ARG 736 Cb 0.34 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1bxr h ARG 736 CO -0.00 0.84 -0.36 0.66 -1.51 0.00 0.00 179.97 179.60 1bxr n TYR 737 N -3.68 0.00 0.13 2.20 4.01 -0.89 -4.77 117.16 114.16 1bxr n TYR 737 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1bxr n TYR 737 Cb 0.75 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.72 1bxr n TYR 737 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 1bxr h PHE 738 N 0.30 -0.51 -0.80 -0.72 3.57 -1.10 -2.59 116.94 115.09 1bxr h PHE 738 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1bxr h PHE 738 Cb 0.24 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1bxr h PHE 738 CO 0.00 -0.29 0.52 0.37 -2.23 0.00 0.00 178.31 176.68 1bxr h GLN 739 N -0.41 0.99 -0.65 1.11 5.75 -1.86 -1.71 115.11 118.34 1bxr h GLN 739 Ca 0.01 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1bxr h GLN 739 Cb 0.39 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1bxr h GLN 739 CO -0.06 0.66 0.39 1.15 -2.65 0.00 0.00 178.83 178.32 1bxr h THR 740 N 1.02 1.06 -0.51 2.39 2.02 -1.86 0.30 112.91 117.33 1bxr h THR 740 Ca 0.31 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 67.27 1bxr h THR 740 Cb -0.04 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 1bxr h THR 740 CO -0.09 0.14 0.25 0.00 0.37 0.00 0.00 175.52 176.19 1bxr h ALA 741 N 1.29 0.65 0.01 6.16 0.00 -0.93 -2.79 119.26 123.65 1bxr h ALA 741 Ca 0.27 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1bxr h ALA 741 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bxr h ALA 741 CO -0.12 -0.10 -0.01 0.28 0.00 0.00 0.00 179.25 179.30 1bxr h VAL 742 N 0.49 1.14 -1.33 0.00 2.07 -0.69 -2.58 116.25 115.35 1bxr h VAL 742 Ca 0.23 -0.45 0.39 0.00 0.82 0.00 0.00 66.70 67.69 1bxr h VAL 742 Cb 0.15 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1bxr h VAL 742 CO -0.17 0.12 0.99 0.77 0.02 0.00 0.00 177.57 179.29 1bxr h SER 743 N -0.21 0.00 -0.01 0.57 4.64 -0.16 0.10 113.55 118.48 1bxr h SER 743 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bxr h SER 743 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1bxr h SER 743 CO 0.00 0.00 -0.28 1.33 -0.87 0.00 0.00 176.83 177.01 1bxr n VAL 744 N -4.06 0.00 0.52 0.95 0.24 -1.14 -4.66 118.33 110.18 1bxr n VAL 744 Ca 0.29 -0.36 0.06 0.00 -2.04 0.00 0.00 64.34 62.29 1bxr n VAL 744 Cb 1.41 1.24 0.30 0.00 -1.47 0.00 0.00 33.84 35.32 1bxr n VAL 744 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1bxr n SER 745 N 0.13 0.00 -3.59 -1.34 2.88 0.36 -4.70 113.62 107.36 1bxr n SER 745 Ca 0.08 0.37 -0.23 0.00 -1.33 0.00 0.00 58.87 57.76 1bxr n SER 745 Cb 0.38 -0.43 0.08 0.00 -0.75 0.00 0.00 64.21 63.48 1bxr n SER 745 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1bxr n ASN 746 N -1.43 -4.89 -1.20 -3.46 4.05 -1.26 -2.57 115.26 104.49 1bxr n ASN 746 Ca 0.04 -0.59 -0.16 0.00 0.45 0.00 0.00 54.58 54.32 1bxr n ASN 746 Cb 0.14 -4.92 -0.07 0.00 1.23 0.00 0.00 39.78 36.17 1bxr n ASN 746 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1bxr n ASP 747 N -3.03 -5.19 -4.56 1.20 8.00 -1.26 -4.97 116.55 106.74 1bxr n ASP 747 Ca -0.08 0.39 -0.25 0.00 0.71 0.00 0.00 54.79 55.56 1bxr n ASP 747 Cb 0.59 -4.08 -0.09 0.00 -0.02 0.00 0.00 41.12 37.52 1bxr n ASP 747 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bxr s ALA 748 N -2.48 2.94 0.65 2.24 0.00 -1.06 -5.13 121.76 118.90 1bxr s ALA 748 Ca 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 1bxr s ALA 748 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1bxr s ALA 748 CO 0.00 0.37 1.05 -2.14 0.00 0.00 0.00 175.76 175.04 1bxr s PRO 749 N -3.19 3.20 -0.23 0.00 0.02 -1.26 -4.63 135.00 128.90 1bxr s PRO 749 Ca 0.27 0.98 -0.11 0.00 0.02 0.00 0.00 61.00 62.17 1bxr s PRO 749 Cb -0.07 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 1bxr s PRO 749 CO 0.16 -0.89 0.18 0.08 -0.33 0.00 0.00 177.00 176.20 1bxr s VAL 750 N -2.89 5.35 0.21 3.83 1.01 -0.62 -2.79 120.40 124.49 1bxr s VAL 750 Ca 0.59 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.54 1bxr s VAL 750 Cb -0.14 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1bxr s VAL 750 CO 0.49 0.34 0.83 -0.22 0.00 0.00 0.00 175.10 176.54 1bxr s LEU 751 N 1.05 4.56 -0.38 3.92 2.96 0.87 -0.64 118.68 131.01 1bxr s LEU 751 Ca 0.09 1.73 -0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1bxr s LEU 751 Cb -0.13 -3.48 0.10 0.00 0.50 0.00 0.00 46.19 43.17 1bxr s LEU 751 CO 0.04 0.15 0.15 -0.76 -1.32 0.00 0.00 176.35 174.62 1bxr s LEU 752 N -1.33 4.96 -0.15 -0.68 1.02 0.16 0.67 118.68 123.32 1bxr s LEU 752 Ca 0.39 -1.88 -0.02 0.00 0.02 0.00 0.00 54.13 52.64 1bxr s LEU 752 Cb -0.23 -1.79 -0.02 0.00 0.02 0.00 0.00 46.19 44.17 1bxr s LEU 752 CO 0.27 -0.48 -0.08 -0.62 0.02 0.00 0.00 176.35 175.47 1bxr s ASP 753 N 1.64 4.43 0.17 2.29 2.15 0.61 -2.60 116.67 125.37 1bxr s ASP 753 Ca 0.06 -0.24 -0.32 0.00 0.43 0.00 0.00 52.55 52.49 1bxr s ASP 753 Cb -0.22 -1.71 -0.11 0.00 -0.30 0.00 0.00 42.92 40.58 1bxr s ASP 753 CO -0.04 0.15 1.69 -2.28 -0.17 0.00 0.00 175.17 174.52 1bxr s HIS 754 N 0.47 2.81 0.16 -5.34 5.65 0.27 0.12 115.29 119.43 1bxr s HIS 754 Ca -0.06 0.37 -0.31 0.00 0.25 0.00 0.00 55.06 55.31 1bxr s HIS 754 Cb -0.15 -4.07 -0.10 0.00 -1.18 0.00 0.00 32.58 27.08 1bxr s HIS 754 CO 0.04 -4.10 1.66 0.12 -0.65 0.00 0.00 174.74 171.81 1bxr s PHE 755 N 1.50 2.80 -0.80 3.88 5.36 0.64 -4.76 117.98 126.60 1bxr s PHE 755 Ca 0.74 0.41 -0.17 0.00 -0.96 0.00 0.00 56.93 56.96 1bxr s PHE 755 Cb -0.47 -4.03 0.16 0.00 -0.34 0.00 0.00 43.02 38.35 1bxr s PHE 755 CO 0.32 -3.94 0.86 -0.51 -1.46 0.00 0.00 175.22 170.49 1bxr s LEU 756 N 1.58 5.90 0.65 6.12 1.43 -1.26 -4.86 118.68 128.24 1bxr s LEU 756 Ca 0.73 -2.18 -0.18 0.00 -1.03 0.00 0.00 54.13 51.48 1bxr s LEU 756 Cb -0.45 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1bxr s LEU 756 CO 0.32 -0.86 1.25 1.51 0.23 0.00 0.00 176.35 178.80 1bxr s ASP 757 N 3.01 4.69 -1.42 2.29 -4.77 -1.26 -3.95 116.67 115.26 1bxr s ASP 757 Ca 0.21 2.48 -0.00 0.00 -3.30 0.00 0.00 52.55 51.94 1bxr s ASP 757 Cb -0.12 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 1bxr s ASP 757 CO -0.05 -1.94 0.01 0.47 0.70 0.00 0.00 175.17 174.36 1bxr n ASP 758 N -2.01 0.83 -4.40 2.11 8.00 -1.26 -4.94 116.55 114.88 1bxr n ASP 758 Ca 0.15 -1.17 -0.29 0.00 0.71 0.00 0.00 54.79 54.19 1bxr n ASP 758 Cb 0.49 -1.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.01 1bxr n ASP 758 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bxr s ALA 759 N -4.25 2.42 0.13 2.24 0.00 -1.25 -4.75 121.76 116.31 1bxr s ALA 759 Ca 0.01 -1.42 -0.18 0.00 0.00 0.00 0.00 51.96 50.37 1bxr s ALA 759 Cb -0.01 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 1bxr s ALA 759 CO 0.91 0.55 0.61 0.08 0.00 0.00 0.00 175.76 177.91 1bxr s VAL 760 N -1.04 4.72 -0.09 0.00 1.01 0.99 -2.40 120.40 123.59 1bxr s VAL 760 Ca 0.14 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 1bxr s VAL 760 Cb -0.10 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1bxr s VAL 760 CO 0.06 0.38 0.12 -0.70 0.00 0.00 0.00 175.10 174.95 1bxr s GLU 761 N -1.58 3.33 -0.01 2.72 2.12 -1.26 -0.65 118.70 123.37 1bxr s GLU 761 Ca 0.35 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.47 1bxr s GLU 761 Cb -0.18 -3.08 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 1bxr s GLU 761 CO 0.20 0.74 -0.07 0.08 -0.54 0.00 0.00 175.26 175.67 1bxr s VAL 762 N -1.06 0.59 -0.04 3.70 1.01 -0.28 -0.75 120.40 123.58 1bxr s VAL 762 Ca 0.17 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1bxr s VAL 762 Cb -0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1bxr s VAL 762 CO 0.06 0.17 -0.18 -1.81 0.00 0.00 0.00 175.10 173.34 1bxr s ASP 763 N -0.12 3.67 -0.08 3.32 1.01 -0.72 -1.71 116.67 122.04 1bxr s ASP 763 Ca 0.02 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 52.97 1bxr s ASP 763 Cb -0.04 -0.69 0.03 0.00 1.01 0.00 0.00 42.92 43.23 1bxr s ASP 763 CO -0.00 0.33 -0.02 -0.69 0.21 0.00 0.00 175.17 175.00 1bxr s VAL 764 N -0.65 0.57 -0.18 -1.27 1.01 0.34 -1.11 120.40 119.11 1bxr s VAL 764 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 1bxr s VAL 764 Cb -0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1bxr s VAL 764 CO 0.00 0.29 0.24 -1.81 0.00 0.00 0.00 175.10 173.82 1bxr s ASP 765 N 1.89 6.34 0.12 3.32 1.01 -0.91 0.19 116.67 128.63 1bxr s ASP 765 Ca 0.05 0.39 -0.06 0.00 0.71 0.00 0.00 52.55 53.63 1bxr s ASP 765 Cb -0.12 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1bxr s ASP 765 CO -0.06 0.11 0.17 0.00 0.21 0.00 0.00 175.17 175.60 1bxr s ALA 766 N 0.55 0.13 -0.03 5.23 0.00 -0.47 -0.47 121.76 126.71 1bxr s ALA 766 Ca 0.13 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1bxr s ALA 766 Cb -0.12 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1bxr s ALA 766 CO 0.02 -0.54 -0.25 0.42 0.00 0.00 0.00 175.76 175.42 1bxr s ILE 767 N -3.94 2.01 -0.08 0.00 1.01 0.16 -1.05 121.20 119.31 1bxr s ILE 767 Ca 0.13 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1bxr s ILE 767 Cb 0.05 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.85 1bxr s ILE 767 CO -0.05 0.56 -0.18 0.00 0.00 0.00 0.00 174.94 175.28 1bxr n ASP 769 N 3.59 3.00 0.00 0.00 5.68 0.23 -2.18 116.55 126.87 1bxr n ASP 769 Ca -0.21 -2.26 0.00 0.00 -0.50 0.00 0.00 54.79 51.83 1bxr n ASP 769 Cb 0.52 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1bxr n ASP 769 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bxr n GLY 770 N 0.10 2.91 0.33 6.12 0.00 -1.26 -4.67 105.19 108.72 1bxr n GLY 770 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1bxr n GLY 770 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bxr n GLU 771 N -2.00 0.46 -4.13 1.61 2.13 -1.26 -5.07 120.64 112.38 1bxr n GLU 771 Ca 0.00 0.20 -0.09 0.00 0.66 0.00 0.00 57.16 57.93 1bxr n GLU 771 Cb 0.00 -1.27 -0.10 0.00 0.27 0.00 0.00 31.44 30.34 1bxr n GLU 771 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bxr s MET 772 N -2.42 0.81 -0.18 5.31 0.23 -1.26 -5.15 119.30 116.63 1bxr s MET 772 Ca -0.30 -1.36 -0.00 0.00 -1.03 0.00 0.00 55.69 53.00 1bxr s MET 772 Cb 0.11 0.23 0.01 0.00 -1.53 0.00 0.00 34.83 33.64 1bxr s MET 772 CO 0.38 -0.20 -0.15 0.08 -2.03 0.00 0.00 175.02 173.09 1bxr s VAL 773 N -4.00 2.56 -0.28 5.16 1.01 -1.26 -0.60 120.40 122.98 1bxr s VAL 773 Ca 0.18 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1bxr s VAL 773 Cb 0.08 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1bxr s VAL 773 CO -0.03 0.51 0.11 -0.22 0.00 0.00 0.00 175.10 175.47 1bxr s LEU 774 N 1.11 3.81 -0.35 3.92 2.96 0.12 -4.95 118.68 125.30 1bxr s LEU 774 Ca 0.00 -0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 53.24 1bxr s LEU 774 Cb -0.14 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1bxr s LEU 774 CO -0.05 -0.13 0.93 -0.63 -1.32 0.00 0.00 176.35 175.16 1bxr s ILE 775 N 1.60 4.60 -0.05 6.68 -1.09 -1.26 0.39 121.20 132.06 1bxr s ILE 775 Ca 0.05 1.29 -0.25 0.00 -2.23 0.00 0.00 60.65 59.52 1bxr s ILE 775 Cb -0.16 -4.32 -0.24 0.00 -1.58 0.00 0.00 42.46 36.16 1bxr s ILE 775 CO 0.05 -0.49 1.02 1.23 -1.23 0.00 0.00 174.94 175.52 1bxr h GLY 776 N 10.00 0.18 -5.14 6.18 0.00 -1.13 -3.39 103.07 109.77 1bxr h GLY 776 Ca -0.23 -0.32 0.22 0.00 0.00 0.00 0.00 47.33 47.01 1bxr h GLY 776 CO 0.98 0.28 0.92 -0.32 0.00 0.00 0.00 176.54 178.40 1bxr s GLY 777 N -3.91 0.13 -0.25 4.60 0.00 -1.15 -4.59 107.32 102.17 1bxr s GLY 777 Ca -0.16 2.96 -0.06 0.00 0.00 0.00 0.00 44.72 47.46 1bxr s GLY 777 CO 0.74 1.29 0.03 -0.42 0.00 0.00 0.00 173.10 174.74 1bxr s ILE 778 N -0.78 3.85 -0.17 0.90 1.01 -1.26 -2.13 121.20 122.61 1bxr s ILE 778 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1bxr s ILE 778 Cb -0.02 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1bxr s ILE 778 CO -0.09 0.32 -0.11 -0.04 0.00 0.00 0.00 174.94 175.01 1bxr s MET 779 N 1.53 3.32 -0.11 2.79 -1.94 -0.26 -4.10 119.30 120.53 1bxr s MET 779 Ca 0.05 -0.69 -0.13 0.00 -1.71 0.00 0.00 55.69 53.21 1bxr s MET 779 Cb -0.15 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 33.89 1bxr s MET 779 CO 0.01 0.01 0.31 -2.00 -0.01 0.00 0.00 175.02 173.33 1bxr s GLU 780 N 0.88 4.02 0.42 2.03 2.12 -0.27 -1.76 118.70 126.14 1bxr s GLU 780 Ca -0.03 0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.33 1bxr s GLU 780 Cb -0.15 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 1bxr s GLU 780 CO -0.00 0.46 0.82 -1.01 -0.54 0.00 0.00 175.26 174.99 1bxr s HIS 781 N -0.22 3.45 -0.09 5.30 3.76 0.07 -0.76 115.29 126.80 1bxr s HIS 781 Ca 0.19 1.18 -0.00 0.00 -0.15 0.00 0.00 55.06 56.27 1bxr s HIS 781 Cb -0.14 -2.55 -0.00 0.00 1.11 0.00 0.00 32.58 31.00 1bxr s HIS 781 CO 0.07 -0.14 0.01 0.82 -0.85 0.00 0.00 174.74 174.65 1bxr h ILE 782 N 1.20 0.00 -3.97 0.60 5.03 -1.51 -3.42 117.51 115.44 1bxr h ILE 782 Ca -0.47 -0.85 -0.52 0.00 -0.12 0.00 0.00 64.86 62.90 1bxr h ILE 782 Cb 1.18 0.00 0.07 0.00 -3.03 0.00 0.00 36.82 35.05 1bxr h ILE 782 CO 0.63 0.00 0.54 -1.61 -0.68 0.00 0.00 178.15 177.03 1bxr s GLU 783 N -1.49 3.86 0.94 2.37 8.01 -1.26 -4.66 118.70 126.47 1bxr s GLU 783 Ca -0.00 1.95 -0.12 0.00 0.01 0.00 0.00 54.97 56.81 1bxr s GLU 783 Cb 0.00 -2.59 0.15 0.00 -4.31 0.00 0.00 34.13 27.39 1bxr s GLU 783 CO 0.00 -0.51 1.10 1.14 0.01 0.00 0.00 175.26 177.00 1bxr s GLN 784 N -2.45 0.93 0.30 1.61 0.00 -1.26 -4.42 119.66 114.38 1bxr s GLN 784 Ca 0.60 0.55 -0.30 0.00 -0.00 0.00 0.00 55.36 56.21 1bxr s GLN 784 Cb -0.33 -1.79 -0.12 0.00 0.00 0.00 0.00 33.01 30.77 1bxr s GLN 784 CO 0.41 -2.40 1.53 0.00 0.00 0.00 0.00 175.29 174.83 1bxr n ALA 785 N -3.95 2.23 0.00 2.60 0.00 -1.01 -1.61 120.51 118.77 1bxr n ALA 785 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1bxr n ALA 785 Cb 0.57 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1bxr n ALA 785 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 786 N 1.77 0.95 3.49 0.00 0.00 -1.26 -4.83 105.19 105.30 1bxr n GLY 786 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1bxr n GLY 786 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 787 N -1.29 4.61 0.12 1.61 1.01 -0.63 -2.03 120.40 123.80 1bxr s VAL 787 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 61.98 61.54 1bxr s VAL 787 Cb 0.00 -3.18 -0.17 0.00 0.00 0.00 0.00 36.38 33.03 1bxr s VAL 787 CO 0.00 0.30 1.14 1.57 0.00 0.00 0.00 175.10 178.11 1bxr n HIS 788 N 4.97 1.08 -0.32 5.22 -0.00 0.32 -4.68 115.22 121.80 1bxr n HIS 788 Ca -0.15 0.77 0.20 0.00 0.46 0.00 0.00 57.72 58.99 1bxr n HIS 788 Cb 0.51 -2.23 0.41 0.00 -0.12 0.00 0.00 29.99 28.57 1bxr n HIS 788 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1bxr h SER 789 N 3.40 0.27 0.72 0.26 4.64 -1.91 0.48 113.55 121.42 1bxr h SER 789 Ca -0.45 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1bxr h SER 789 Cb 1.37 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1bxr h SER 789 CO 0.70 -0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 1bxr n GLY 790 N -1.33 -1.25 0.34 -0.77 0.00 -1.26 -2.23 105.19 98.69 1bxr n GLY 790 Ca 0.28 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.41 1bxr n GLY 790 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bxr n ASP 791 N -2.10 1.59 -4.90 1.61 8.00 0.16 -4.72 116.55 116.18 1bxr n ASP 791 Ca 0.03 -1.29 -0.29 0.00 0.71 0.00 0.00 54.79 53.94 1bxr n ASP 791 Cb 0.23 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1bxr n ASP 791 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1bxr s SER 792 N -1.08 6.45 0.51 -2.24 0.01 -0.39 -4.82 113.70 112.14 1bxr s SER 792 Ca 0.11 0.77 -0.05 0.00 1.31 0.00 0.00 55.95 58.09 1bxr s SER 792 Cb 0.08 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 1bxr s SER 792 CO 0.18 -0.23 0.81 0.00 0.41 0.00 0.00 173.24 174.41 1bxr s ALA 793 N -2.14 3.41 0.13 1.44 0.00 -1.26 -4.65 121.76 118.69 1bxr s ALA 793 Ca 0.45 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.65 1bxr s ALA 793 Cb -0.11 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1bxr s ALA 793 CO 0.30 -0.48 0.37 0.00 0.00 0.00 0.00 175.76 175.95 1bxr s SER 795 N -2.85 2.83 -0.16 0.00 0.15 0.06 0.34 113.70 114.07 1bxr s SER 795 Ca 0.06 -0.48 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 1bxr s SER 795 Cb 0.02 -0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.10 1bxr s SER 795 CO -0.09 0.26 0.07 -0.22 1.20 0.00 0.00 173.24 174.47 1bxr s LEU 796 N -0.82 0.48 1.14 3.45 0.20 0.42 -1.11 118.68 122.45 1bxr s LEU 796 Ca 0.10 -0.55 -0.17 0.00 0.69 0.00 0.00 54.13 54.19 1bxr s LEU 796 Cb -0.09 -0.30 0.26 0.00 -0.43 0.00 0.00 46.19 45.63 1bxr s LEU 796 CO 0.00 -0.32 1.11 -2.84 -0.29 0.00 0.00 176.35 174.01 1bxr s PRO 797 N 2.09 -0.74 0.66 0.98 0.02 -1.26 -0.37 135.00 136.37 1bxr s PRO 797 Ca 0.02 0.08 -0.17 0.00 0.02 0.00 0.00 61.00 60.94 1bxr s PRO 797 Cb -0.16 -1.64 -0.00 0.00 0.02 0.00 0.00 34.50 32.72 1bxr s PRO 797 CO -0.08 -3.42 1.27 0.00 -0.33 0.00 0.00 177.00 174.43 1bxr s ALA 798 N -3.02 2.34 -0.73 -1.55 0.00 -1.25 -4.71 121.76 112.83 1bxr s ALA 798 Ca 0.69 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.85 1bxr s ALA 798 Cb -0.12 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1bxr s ALA 798 CO 0.56 -1.61 0.58 2.48 0.00 0.00 0.00 175.76 177.78 1bxr n TYR 799 N -2.04 0.00 -0.00 0.00 4.11 -1.26 -4.74 117.16 113.23 1bxr n TYR 799 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.05 1bxr n TYR 799 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.83 1bxr n TYR 799 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1bxr n THR 800 N -0.14 0.00 -2.50 -3.48 -2.24 -1.26 -5.10 114.28 99.56 1bxr n THR 800 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1bxr n THR 800 Cb 0.16 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1bxr n THR 800 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxr s LEU 801 N 0.00 4.44 0.67 3.22 1.43 -1.26 -5.01 118.68 122.18 1bxr s LEU 801 Ca 0.00 2.03 -0.17 0.00 -1.03 0.00 0.00 54.13 54.97 1bxr s LEU 801 Cb 0.00 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1bxr s LEU 801 CO 0.00 -0.30 1.22 -0.94 0.23 0.00 0.00 176.35 176.57 1bxr s SER 802 N 0.32 4.59 0.18 2.29 1.04 -1.26 -4.85 113.70 116.02 1bxr s SER 802 Ca 0.52 2.41 -0.10 0.00 0.48 0.00 0.00 55.95 59.26 1bxr s SER 802 Cb -0.29 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.32 1bxr s SER 802 CO 0.33 -2.00 1.67 -0.61 0.98 0.00 0.00 173.24 173.61 1bxr h GLN 803 N 0.22 1.06 -0.29 4.02 5.75 -1.98 -1.42 115.11 122.46 1bxr h GLN 803 Ca -0.49 -0.29 0.06 0.00 -0.15 0.00 0.00 58.65 57.77 1bxr h GLN 803 Cb 1.30 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.68 1bxr h GLN 803 CO 0.52 0.99 -0.03 1.49 -2.65 0.00 0.00 178.83 179.14 1bxr h GLU 804 N 0.97 0.04 -0.09 1.69 4.81 -1.98 0.29 114.58 120.30 1bxr h GLU 804 Ca 0.19 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.28 1bxr h GLU 804 Cb 0.45 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1bxr h GLU 804 CO 0.01 0.03 -0.54 0.82 -0.73 0.00 0.00 179.01 178.60 1bxr h ILE 805 N 0.04 1.36 -0.36 2.32 2.04 -1.86 -2.02 117.51 119.03 1bxr h ILE 805 Ca 0.14 -1.83 -0.12 0.00 1.00 0.00 0.00 64.86 64.05 1bxr h ILE 805 Cb 0.20 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1bxr h ILE 805 CO -0.27 0.54 -0.28 1.56 0.00 0.00 0.00 178.15 179.71 1bxr h GLN 806 N 0.21 0.76 0.00 2.37 4.20 -0.57 -1.91 115.11 120.18 1bxr h GLN 806 Ca 0.00 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 1bxr h GLN 806 Cb 1.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1bxr h GLN 806 CO 0.09 0.95 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.58 1bxr h ASP 807 N 0.65 0.00 -0.08 1.46 3.32 -0.19 0.84 116.42 122.42 1bxr h ASP 807 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1bxr h ASP 807 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1bxr h ASP 807 CO 0.07 0.18 -0.47 0.58 -1.72 0.00 0.00 179.24 177.87 1bxr h VAL 808 N 0.00 1.30 -0.23 -1.35 2.07 -0.62 -3.00 116.25 114.42 1bxr h VAL 808 Ca -0.00 -1.67 -0.20 0.00 0.82 0.00 0.00 66.70 65.65 1bxr h VAL 808 Cb 0.38 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1bxr h VAL 808 CO 0.02 0.53 -0.63 0.24 0.02 0.00 0.00 177.57 177.76 1bxr h MET 809 N 0.51 0.82 -0.79 1.57 2.86 -0.56 -2.65 114.93 116.69 1bxr h MET 809 Ca 0.03 -0.58 0.14 0.00 -2.06 0.00 0.00 59.70 57.22 1bxr h MET 809 Cb 1.01 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 1bxr h MET 809 CO 0.09 1.21 0.52 0.00 1.06 0.00 0.00 176.91 179.80 1bxr h ARG 810 N 0.58 0.51 -0.05 1.72 3.08 -0.84 -0.69 114.38 118.70 1bxr h ARG 810 Ca -0.01 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1bxr h ARG 810 Cb 1.25 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.19 1bxr h ARG 810 CO 0.14 0.34 -0.53 1.96 -1.07 0.00 0.00 179.97 180.81 1bxr h GLN 811 N 0.53 0.45 -0.54 0.04 7.50 -1.45 -2.14 115.11 119.51 1bxr h GLN 811 Ca 0.39 -0.42 0.05 0.00 0.50 0.00 0.00 58.65 59.18 1bxr h GLN 811 Cb 0.76 0.10 -0.05 0.00 0.05 0.00 0.00 27.48 28.34 1bxr h GLN 811 CO -0.15 1.06 0.26 1.96 -1.50 0.00 0.00 178.83 180.46 1bxr h GLN 812 N -0.01 0.48 -0.40 1.46 4.20 -1.04 0.87 115.11 120.67 1bxr h GLN 812 Ca -0.05 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.68 1bxr h GLN 812 Cb 1.20 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.83 1bxr h GLN 812 CO 0.11 0.32 0.13 0.28 -0.67 0.00 0.00 178.83 178.99 1bxr h VAL 813 N 0.50 0.86 -0.15 -0.54 2.07 -1.08 0.35 116.25 118.25 1bxr h VAL 813 Ca 0.24 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 1bxr h VAL 813 Cb 0.18 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1bxr h VAL 813 CO -0.18 0.05 0.08 -0.61 0.02 0.00 0.00 177.57 176.92 1bxr h GLN 814 N 0.28 0.21 -1.00 1.57 4.15 -0.69 0.47 115.11 120.12 1bxr h GLN 814 Ca 0.19 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.68 1bxr h GLN 814 Cb 0.19 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.76 1bxr h GLN 814 CO -0.21 0.24 0.63 0.87 -1.93 0.00 0.00 178.83 178.44 1bxr h LYS 815 N 0.13 1.01 -0.09 1.69 1.57 -0.02 -1.12 116.57 119.74 1bxr h LYS 815 Ca 0.05 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1bxr h LYS 815 Cb 0.09 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.18 1bxr h LYS 815 CO -0.01 0.67 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.88 1bxr h LEU 816 N 1.04 0.69 -0.50 2.94 3.38 0.24 -2.21 115.31 120.89 1bxr h LEU 816 Ca 0.47 -0.66 0.10 0.00 0.09 0.00 0.00 57.88 57.88 1bxr h LEU 816 Cb 0.38 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 1bxr h LEU 816 CO -0.23 1.24 -0.08 0.00 0.09 0.00 0.00 178.44 179.46 1bxr h ALA 817 N 0.46 0.38 -0.14 1.53 0.00 0.96 -0.66 119.26 121.79 1bxr h ALA 817 Ca -0.05 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1bxr h ALA 817 Cb 1.25 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1bxr h ALA 817 CO 0.12 -0.43 -0.19 0.74 0.00 0.00 0.00 179.25 179.49 1bxr h PHE 818 N 0.04 0.46 -0.63 0.00 0.04 -1.29 -2.39 116.94 113.17 1bxr h PHE 818 Ca 0.25 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1bxr h PHE 818 Cb 0.38 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1bxr h PHE 818 CO -0.39 0.81 0.40 1.49 -0.60 0.00 0.00 178.31 180.02 1bxr h GLU 819 N -0.01 0.83 0.00 1.51 4.57 -1.18 -2.69 114.58 117.61 1bxr h GLU 819 Ca 0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1bxr h GLU 819 Cb 0.75 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1bxr h GLU 819 CO 0.05 0.56 0.00 1.28 -1.18 0.00 0.00 179.01 179.72 1bxr n LEU 820 N -4.64 0.00 -1.17 1.64 4.77 -0.27 -4.90 117.00 112.43 1bxr n LEU 820 Ca 0.05 0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1bxr n LEU 820 Cb 0.03 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1bxr n LEU 820 CO 0.36 -0.06 -0.13 0.00 -1.33 0.00 0.00 177.39 176.23 1bxr n GLN 821 N -1.33 -0.85 -1.70 3.23 3.00 -0.97 -4.75 117.38 114.00 1bxr n GLN 821 Ca 0.11 0.60 -0.43 0.00 -0.01 0.00 0.00 57.00 57.27 1bxr n GLN 821 Cb 0.22 -4.68 -0.02 0.00 0.00 0.00 0.00 30.24 25.76 1bxr n GLN 821 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1bxr n VAL 822 N -3.75 1.38 -3.48 5.09 0.31 -0.94 -4.58 118.33 112.36 1bxr n VAL 822 Ca -0.13 -0.34 -0.29 0.00 -0.01 0.00 0.00 64.34 63.57 1bxr n VAL 822 Cb 0.55 -1.65 -0.13 0.00 -0.91 0.00 0.00 33.84 31.70 1bxr n VAL 822 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1bxr s ARG 823 N -1.02 0.44 0.00 5.55 1.81 -1.26 -4.32 118.95 120.14 1bxr s ARG 823 Ca 0.62 -1.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1bxr s ARG 823 Cb -0.58 -1.24 0.00 0.00 -0.45 0.00 0.00 34.95 32.69 1bxr s ARG 823 CO 0.54 -1.15 0.00 0.41 -0.68 0.00 0.00 175.30 174.42 1bxr n GLY 824 N 4.42 0.02 3.82 -3.53 0.00 -0.93 -0.85 105.19 108.14 1bxr n GLY 824 Ca 0.07 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 1bxr n GLY 824 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxr s LEU 825 N 0.00 3.91 0.06 0.99 1.43 -1.26 -1.23 118.68 122.57 1bxr s LEU 825 Ca 0.00 1.69 -0.16 0.00 -1.03 0.00 0.00 54.13 54.63 1bxr s LEU 825 Cb 0.00 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.71 1bxr s LEU 825 CO 0.00 -0.39 0.36 0.00 0.23 0.00 0.00 176.35 176.54 1bxr s MET 826 N -3.26 0.89 -0.08 1.70 0.23 -0.22 -3.38 119.30 115.19 1bxr s MET 826 Ca 0.62 -0.49 0.01 0.00 -1.03 0.00 0.00 55.69 54.80 1bxr s MET 826 Cb -0.09 0.39 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 1bxr s MET 826 CO 0.15 -0.30 -0.08 1.21 -2.03 0.00 0.00 175.02 173.96 1bxr s ASN 827 N -2.16 1.73 -0.08 -1.18 3.84 0.03 -1.36 114.94 115.76 1bxr s ASN 827 Ca -0.04 -0.25 0.01 0.00 0.21 0.00 0.00 52.86 52.80 1bxr s ASN 827 Cb -0.00 -0.72 -0.03 0.00 -0.55 0.00 0.00 41.25 39.95 1bxr s ASN 827 CO -0.04 -0.06 -0.10 -0.69 -2.79 0.00 0.00 177.10 173.42 1bxr s VAL 828 N 1.18 3.42 -0.11 -5.21 1.01 0.51 -0.38 120.40 120.82 1bxr s VAL 828 Ca -0.06 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1bxr s VAL 828 Cb -0.14 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1bxr s VAL 828 CO -0.02 0.57 -0.21 -1.10 0.00 0.00 0.00 175.10 174.35 1bxr s GLN 829 N -0.48 3.13 0.16 2.72 -0.21 0.33 0.13 119.66 125.45 1bxr s GLN 829 Ca 0.07 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.66 1bxr s GLN 829 Cb -0.12 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 1bxr s GLN 829 CO 0.02 0.16 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.21 1bxr s PHE 830 N 0.42 1.32 -0.05 0.91 0.40 -0.69 -0.52 117.98 119.77 1bxr s PHE 830 Ca -0.15 -0.80 0.02 0.00 -0.60 0.00 0.00 56.93 55.40 1bxr s PHE 830 Cb -0.17 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.68 1bxr s PHE 830 CO 0.07 0.05 -0.09 0.00 0.70 0.00 0.00 175.22 175.95 1bxr s ALA 831 N -3.35 0.98 -0.27 5.36 0.00 0.80 -1.12 121.76 124.15 1bxr s ALA 831 Ca 0.19 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 1bxr s ALA 831 Cb 0.03 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1bxr s ALA 831 CO 0.02 0.09 0.07 0.08 0.00 0.00 0.00 175.76 176.02 1bxr s VAL 832 N 0.61 4.04 -0.06 0.00 1.01 0.18 0.50 120.40 126.67 1bxr s VAL 832 Ca -0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1bxr s VAL 832 Cb -0.14 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1bxr s VAL 832 CO 0.02 0.20 0.00 -0.75 0.00 0.00 0.00 175.10 174.57 1bxr s LYS 833 N 1.54 0.53 -1.47 2.72 2.20 -0.49 -0.01 119.74 124.76 1bxr s LYS 833 Ca 0.04 0.10 -0.12 0.00 -0.36 0.00 0.00 55.97 55.64 1bxr s LYS 833 Cb -0.16 -0.84 0.06 0.00 -1.51 0.00 0.00 37.83 35.37 1bxr s LYS 833 CO 0.02 -0.25 1.05 0.09 -0.36 0.00 0.00 175.35 175.90 1bxr n ASN 834 N 4.88 -5.27 -1.43 1.43 5.03 -1.26 -0.97 115.26 117.67 1bxr n ASN 834 Ca -0.12 -0.70 -0.14 0.00 0.87 0.00 0.00 54.58 54.49 1bxr n ASN 834 Cb 0.50 -4.27 -0.02 0.00 -1.02 0.00 0.00 39.78 34.97 1bxr n ASN 834 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1bxr n ASN 835 N -2.90 -4.39 -4.02 6.41 2.85 -1.26 -4.99 115.26 106.97 1bxr n ASN 835 Ca 0.03 0.09 -0.27 0.00 -0.11 0.00 0.00 54.58 54.32 1bxr n ASN 835 Cb 0.54 -3.43 -0.17 0.00 1.24 0.00 0.00 39.78 37.97 1bxr n ASN 835 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1bxr s GLU 836 N -4.26 1.89 -0.04 1.20 2.02 -0.15 -5.09 118.70 114.28 1bxr s GLU 836 Ca 0.00 -0.45 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 1bxr s GLU 836 Cb 0.00 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.56 1bxr s GLU 836 CO 0.00 -0.06 0.96 0.08 0.02 0.00 0.00 175.26 176.26 1bxr s VAL 837 N 0.98 4.86 -0.01 2.63 1.01 -1.26 -1.39 120.40 127.22 1bxr s VAL 837 Ca -0.08 2.00 0.07 0.00 0.00 0.00 0.00 61.98 63.97 1bxr s VAL 837 Cb -0.15 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1bxr s VAL 837 CO -0.01 0.12 -0.21 -0.31 0.00 0.00 0.00 175.10 174.69 1bxr s TYR 838 N 1.33 1.85 -0.19 5.22 1.51 0.18 -4.65 117.35 122.59 1bxr s TYR 838 Ca 0.49 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 56.02 1bxr s TYR 838 Cb -0.20 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1bxr s TYR 838 CO 0.24 -0.01 0.51 -1.17 -1.11 0.00 0.00 175.55 174.00 1bxr s LEU 839 N -0.58 4.16 -0.22 -1.29 1.98 -0.27 -0.14 118.68 122.31 1bxr s LEU 839 Ca 0.08 0.68 -0.16 0.00 -2.89 0.00 0.00 54.13 51.84 1bxr s LEU 839 Cb -0.08 -2.70 -0.11 0.00 0.66 0.00 0.00 46.19 43.96 1bxr s LEU 839 CO -0.00 -0.15 -0.18 -0.38 -1.89 0.00 0.00 176.35 173.74 1bxr n ILE 840 N 4.44 1.51 -3.71 6.68 5.41 0.32 -4.53 119.36 129.48 1bxr n ILE 840 Ca -0.05 -0.09 -0.02 0.00 1.00 0.00 0.00 62.75 63.59 1bxr n ILE 840 Cb 0.51 -2.10 -0.01 0.00 -0.71 0.00 0.00 39.64 37.33 1bxr n ILE 840 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1bxr s GLU 841 N -2.52 0.90 -0.09 0.38 -1.05 -1.13 -5.02 118.70 110.19 1bxr s GLU 841 Ca -0.31 -0.50 0.03 0.00 -0.15 0.00 0.00 54.97 54.04 1bxr s GLU 841 Cb 0.08 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.09 1bxr s GLU 841 CO 0.46 -0.41 -0.17 0.08 0.95 0.00 0.00 175.26 176.16 1bxr s VAL 842 N -2.95 1.55 -0.40 1.83 1.01 -1.26 -0.51 120.40 119.67 1bxr s VAL 842 Ca 0.13 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1bxr s VAL 842 Cb 0.01 -1.38 0.09 0.00 0.00 0.00 0.00 36.38 35.10 1bxr s VAL 842 CO 0.00 0.45 0.22 0.20 0.00 0.00 0.00 175.10 175.96 1bxr s ASN 843 N 0.59 5.44 0.00 3.32 0.01 0.49 -4.65 114.94 120.13 1bxr s ASN 843 Ca -0.15 -1.65 0.00 0.00 -0.71 0.00 0.00 52.86 50.35 1bxr s ASN 843 Cb -0.17 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.59 1bxr s ASN 843 CO 0.05 -0.51 0.66 -0.81 -1.51 0.00 0.00 177.10 174.97 1bxr n PRO 844 N 4.79 0.38 -2.06 -0.60 -0.04 -1.26 -0.79 135.00 135.42 1bxr n PRO 844 Ca -0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1bxr n PRO 844 Cb 0.42 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1bxr n PRO 844 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1bxr n ARG 845 N 1.52 0.42 -2.08 0.54 1.85 -1.22 -4.86 116.66 112.82 1bxr n ARG 845 Ca 0.00 -0.85 -0.41 0.00 -1.00 0.00 0.00 57.85 55.59 1bxr n ARG 845 Cb 0.19 1.04 -0.02 0.00 -1.05 0.00 0.00 32.46 32.62 1bxr n ARG 845 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bxr s ALA 846 N -1.44 3.56 0.40 2.89 0.00 -1.02 -3.64 121.76 122.50 1bxr s ALA 846 Ca 0.06 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.37 1bxr s ALA 846 Cb -0.02 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1bxr s ALA 846 CO 0.05 -0.68 0.22 0.00 0.00 0.00 0.00 175.76 175.35 1bxr s ALA 847 N -0.45 3.68 0.23 0.00 0.00 -1.26 -4.89 121.76 119.07 1bxr s ALA 847 Ca 0.55 -2.00 0.34 0.00 0.00 0.00 0.00 51.96 50.84 1bxr s ALA 847 Cb -0.40 -0.60 1.81 0.00 0.00 0.00 0.00 23.12 23.92 1bxr s ALA 847 CO 0.47 -0.14 2.03 0.07 0.00 0.00 0.00 175.76 178.18 1bxr h ARG 848 N 1.35 0.00 0.00 0.00 0.11 -1.94 -1.04 114.38 112.87 1bxr h ARG 848 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1bxr h ARG 848 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1bxr h ARG 848 CO 0.66 0.00 -0.25 0.25 0.10 0.00 0.00 179.97 180.72 1bxr n THR 849 N -2.69 0.07 -0.10 0.08 -2.24 -1.26 -4.24 114.28 103.90 1bxr n THR 849 Ca -0.02 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.66 1bxr n THR 849 Cb 0.07 -0.17 0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1bxr n THR 849 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bxr h VAL 850 N 0.00 0.83 -0.72 2.28 2.07 -1.59 -1.56 116.25 117.56 1bxr h VAL 850 Ca 0.00 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1bxr h VAL 850 Cb 0.54 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1bxr h VAL 850 CO 0.00 0.03 0.23 -0.65 0.02 0.00 0.00 177.57 177.20 1bxr h PRO 851 N 0.19 1.12 -0.20 1.57 0.11 -1.79 -1.19 132.00 131.81 1bxr h PRO 851 Ca 0.16 -0.24 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1bxr h PRO 851 Cb 0.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1bxr h PRO 851 CO -0.21 0.95 0.07 0.35 -0.21 0.00 0.00 178.00 178.95 1bxr h PHE 852 N 1.07 0.31 -0.52 0.65 3.57 -1.76 -0.72 116.94 119.54 1bxr h PHE 852 Ca 0.23 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1bxr h PHE 852 Cb 0.30 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1bxr h PHE 852 CO 0.02 0.38 0.03 0.28 -2.23 0.00 0.00 178.31 176.79 1bxr h VAL 853 N 0.15 1.25 -0.30 1.41 2.07 -1.17 0.37 116.25 120.03 1bxr h VAL 853 Ca 0.06 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1bxr h VAL 853 Cb 0.21 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1bxr h VAL 853 CO -0.00 0.36 0.13 0.28 0.02 0.00 0.00 177.57 178.36 1bxr h SER 854 N 0.80 0.41 -0.52 0.57 0.02 -1.07 0.98 113.55 114.75 1bxr h SER 854 Ca 0.16 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1bxr h SER 854 Cb 0.44 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1bxr h SER 854 CO 0.02 0.45 0.07 0.11 -1.14 0.00 0.00 176.83 176.34 1bxr h LYS 855 N 0.35 0.92 -0.14 3.45 6.56 -0.72 0.47 116.57 127.46 1bxr h LYS 855 Ca 0.10 -0.23 -0.22 0.00 -1.06 0.00 0.00 60.65 59.23 1bxr h LYS 855 Cb 0.16 -0.11 0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1bxr h LYS 855 CO -0.01 0.87 -0.79 0.00 -2.06 0.00 0.00 179.45 177.46 1bxr h ALA 856 N 1.20 0.32 0.00 3.86 0.00 0.10 -3.33 119.26 121.42 1bxr h ALA 856 Ca 0.17 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1bxr h ALA 856 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1bxr h ALA 856 CO 0.01 0.69 -0.99 0.25 0.00 0.00 0.00 179.25 179.21 1bxr n THR 857 N -3.92 0.32 -0.80 0.00 -2.24 0.34 -4.80 114.28 103.18 1bxr n THR 857 Ca -0.07 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1bxr n THR 857 Cb 0.75 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1bxr n THR 857 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 858 N 1.30 0.71 3.44 3.38 0.00 0.16 -4.95 105.19 109.24 1bxr n GLY 858 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1bxr n GLY 858 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 859 N -2.59 4.14 -1.33 1.61 1.01 -1.16 -5.02 120.40 117.05 1bxr s VAL 859 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1bxr s VAL 859 Cb 0.00 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 33.53 1bxr s VAL 859 CO 0.00 0.37 1.85 -0.81 0.00 0.00 0.00 175.10 176.51 1bxr n PRO 860 N 4.72 3.13 -0.27 2.72 -0.04 -1.26 -4.20 135.00 139.79 1bxr n PRO 860 Ca -0.17 -3.14 0.06 0.00 -0.04 0.00 0.00 63.50 60.21 1bxr n PRO 860 Cb 0.51 -3.42 0.20 0.00 -0.04 0.00 0.00 33.50 30.76 1bxr n PRO 860 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bxr h LEU 861 N 11.76 0.33 -1.50 1.53 3.38 -1.93 -0.70 115.31 128.19 1bxr h LEU 861 Ca 0.47 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 1bxr h LEU 861 Cb 0.81 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1bxr h LEU 861 CO 1.56 0.12 0.22 0.00 0.09 0.00 0.00 178.44 180.42 1bxr h ALA 862 N 1.56 1.62 -0.05 1.53 0.00 -1.92 0.19 119.26 122.21 1bxr h ALA 862 Ca 0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1bxr h ALA 862 Cb 0.67 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1bxr h ALA 862 CO -0.41 0.32 -0.11 0.87 0.00 0.00 0.00 179.25 179.92 1bxr h LYS 863 N 0.56 0.15 -0.22 0.00 1.57 -1.50 -1.51 116.57 115.62 1bxr h LYS 863 Ca 0.15 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1bxr h LYS 863 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1bxr h LYS 863 CO -0.02 0.70 0.12 0.28 -0.57 0.00 0.00 179.45 179.95 1bxr h VAL 864 N -0.37 1.12 -0.04 0.50 2.07 -0.78 -2.00 116.25 116.75 1bxr h VAL 864 Ca -0.00 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1bxr h VAL 864 Cb 0.70 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1bxr h VAL 864 CO 0.02 0.12 -0.39 0.00 0.02 0.00 0.00 177.57 177.34 1bxr h ALA 865 N 0.99 1.27 -0.65 1.67 0.00 -0.71 -1.61 119.26 120.22 1bxr h ALA 865 Ca 0.08 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1bxr h ALA 865 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1bxr h ALA 865 CO -0.01 0.52 0.16 0.00 0.00 0.00 0.00 179.25 179.92 1bxr h ALA 866 N 1.53 0.86 -0.34 0.00 0.00 -1.03 -1.43 119.26 118.86 1bxr h ALA 866 Ca 0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1bxr h ALA 866 Cb 0.73 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bxr h ALA 866 CO 0.05 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 1bxr h ARG 867 N 0.97 0.70 -0.65 0.00 3.08 -0.74 -2.07 114.38 115.65 1bxr h ARG 867 Ca 0.20 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 1bxr h ARG 867 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1bxr h ARG 867 CO 0.00 0.90 0.12 0.28 -1.07 0.00 0.00 179.97 180.20 1bxr h VAL 868 N 0.60 1.26 -0.58 2.04 2.07 -1.03 0.13 116.25 120.73 1bxr h VAL 868 Ca 0.08 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1bxr h VAL 868 Cb 0.78 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1bxr h VAL 868 CO 0.06 0.37 0.18 0.24 0.02 0.00 0.00 177.57 178.45 1bxr h MET 869 N 1.00 0.87 -0.00 1.57 2.86 -0.83 -2.66 114.93 117.73 1bxr h MET 869 Ca 0.20 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1bxr h MET 869 Cb 0.40 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1bxr h MET 869 CO 0.01 0.75 -0.02 0.00 1.06 0.00 0.00 176.91 178.71 1bxr n ALA 870 N -2.46 2.66 0.00 6.32 0.00 -0.82 -3.96 120.51 122.26 1bxr n ALA 870 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1bxr n ALA 870 Cb 0.20 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1bxr n ALA 870 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxr n GLY 871 N 1.11 1.41 3.64 0.00 0.00 -0.72 -5.07 105.19 105.56 1bxr n GLY 871 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1bxr n GLY 871 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bxr s LYS 872 N 0.00 4.13 0.90 1.61 2.20 0.38 -4.94 119.74 124.02 1bxr s LYS 872 Ca 0.00 0.93 -0.12 0.00 -0.36 0.00 0.00 55.97 56.43 1bxr s LYS 872 Cb 0.00 -3.67 0.13 0.00 -1.51 0.00 0.00 37.83 32.77 1bxr s LYS 872 CO 0.00 -0.62 1.09 -1.54 -0.36 0.00 0.00 175.35 173.92 1bxr s SER 873 N 1.42 3.46 0.12 1.43 1.04 -1.26 -2.56 113.70 117.36 1bxr s SER 873 Ca 0.37 1.49 -0.16 0.00 0.48 0.00 0.00 55.95 58.13 1bxr s SER 873 Cb -0.15 -2.17 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 1bxr s SER 873 CO 0.09 -2.65 1.62 -0.07 0.98 0.00 0.00 173.24 173.21 1bxr h LEU 874 N -1.56 0.59 -0.05 2.42 3.38 -1.94 -1.31 115.31 116.85 1bxr h LEU 874 Ca -0.49 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.25 1bxr h LEU 874 Cb 1.28 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1bxr h LEU 874 CO 0.54 0.68 -0.41 0.00 0.09 0.00 0.00 178.44 179.35 1bxr h ALA 875 N 0.93 -0.82 -0.91 1.53 0.00 -1.93 0.83 119.26 118.89 1bxr h ALA 875 Ca 0.12 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.17 1bxr h ALA 875 Cb 0.33 0.88 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 1bxr h ALA 875 CO 0.00 -0.95 0.45 0.93 0.00 0.00 0.00 179.25 179.68 1bxr h GLU 876 N -0.48 0.50 0.00 0.00 5.08 -1.91 0.31 114.58 118.07 1bxr h GLU 876 Ca 0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1bxr h GLU 876 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1bxr h GLU 876 CO -0.30 0.33 -0.31 1.96 -1.00 0.00 0.00 179.01 179.69 1bxr h GLN 877 N 0.51 0.00 -0.97 2.33 4.20 -0.30 -3.47 115.11 117.41 1bxr h GLN 877 Ca 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.24 1bxr h GLN 877 Cb 0.97 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.75 1bxr h GLN 877 CO -0.47 0.31 -0.04 0.41 -0.67 0.00 0.00 178.83 178.38 1bxr n GLY 878 N 0.65 0.72 2.79 3.46 0.00 0.27 -5.00 105.19 108.09 1bxr n GLY 878 Ca 0.01 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1bxr n GLY 878 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 879 N -2.76 1.91 0.00 1.61 1.01 -0.39 -4.87 120.40 116.92 1bxr s VAL 879 Ca 0.02 -3.05 0.00 0.00 0.00 0.00 0.00 61.98 58.96 1bxr s VAL 879 Cb -0.01 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1bxr s VAL 879 CO 0.03 -0.91 0.00 0.35 0.00 0.00 0.00 175.10 174.57 1bxr n THR 880 N 3.14 0.00 -5.20 3.92 -2.24 -1.26 -4.56 114.28 108.08 1bxr n THR 880 Ca 0.11 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1bxr n THR 880 Cb 0.35 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.28 1bxr n THR 880 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1bxr s LYS 881 N -0.82 2.35 0.23 -0.78 -0.14 -1.26 -4.88 119.74 114.45 1bxr s LYS 881 Ca 0.00 -0.87 -0.31 0.00 -1.36 0.00 0.00 55.97 53.43 1bxr s LYS 881 Cb 0.00 -2.16 -0.11 0.00 -1.68 0.00 0.00 37.83 33.88 1bxr s LYS 881 CO 0.00 0.51 1.56 -2.00 -0.76 0.00 0.00 175.35 174.67 1bxr s GLU 882 N -0.48 4.19 -0.11 1.68 2.12 -1.26 -4.98 118.70 119.87 1bxr s GLU 882 Ca 0.06 2.45 -0.15 0.00 0.36 0.00 0.00 54.97 57.68 1bxr s GLU 882 Cb -0.11 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.14 1bxr s GLU 882 CO 0.01 -0.59 0.38 0.08 -0.54 0.00 0.00 175.26 174.60 1bxr s VAL 883 N 0.51 5.21 -0.35 3.70 1.01 -1.26 -5.04 120.40 124.18 1bxr s VAL 883 Ca 0.66 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.41 1bxr s VAL 883 Cb -0.45 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.32 1bxr s VAL 883 CO 0.39 0.42 0.09 -0.63 0.00 0.00 0.00 175.10 175.37 1bxr s ILE 884 N 0.10 1.79 0.79 2.22 -1.09 -1.26 -4.88 121.20 118.88 1bxr s ILE 884 Ca 0.21 -2.10 -0.13 0.00 -2.23 0.00 0.00 60.65 56.41 1bxr s ILE 884 Cb -0.15 -2.33 0.07 0.00 -1.58 0.00 0.00 42.46 38.48 1bxr s ILE 884 CO 0.08 -0.65 1.16 -2.16 -1.23 0.00 0.00 174.94 172.14 1bxr s PRO 885 N 1.04 1.83 0.32 2.79 0.05 -1.26 -4.94 135.00 134.83 1bxr s PRO 885 Ca 0.11 1.56 0.16 0.00 0.05 0.00 0.00 61.00 62.88 1bxr s PRO 885 Cb -0.19 -1.82 0.46 0.00 0.05 0.00 0.00 34.50 33.00 1bxr s PRO 885 CO -0.13 -2.03 1.63 -1.00 0.05 0.00 0.00 177.00 175.53 1bxr h PRO 886 N -0.94 0.00 -6.22 0.56 0.13 -1.95 -3.47 132.00 120.11 1bxr h PRO 886 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.18 1bxr h PRO 886 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1bxr h PRO 886 CO 0.48 0.48 -0.33 1.52 -0.23 0.00 0.00 178.00 179.92 1bxr s TYR 887 N -3.43 2.46 0.10 1.56 -0.85 -1.26 -5.02 117.35 110.91 1bxr s TYR 887 Ca 0.01 -0.55 -0.04 0.00 -0.52 0.00 0.00 57.07 55.96 1bxr s TYR 887 Cb 0.11 -2.17 -0.05 0.00 0.38 0.00 0.00 41.96 40.22 1bxr s TYR 887 CO 0.72 -0.30 0.33 0.71 -1.52 0.00 0.00 175.55 175.48 1bxr s TYR 888 N -2.51 3.51 -0.07 -3.49 2.02 0.15 -4.50 117.35 112.46 1bxr s TYR 888 Ca 0.49 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.72 1bxr s TYR 888 Cb -0.04 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1bxr s TYR 888 CO 0.29 0.50 -0.12 -1.12 -1.57 0.00 0.00 175.55 173.53 1bxr s SER 889 N -2.28 1.76 -0.05 2.29 0.01 0.51 -1.25 113.70 114.70 1bxr s SER 889 Ca 0.37 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.38 1bxr s SER 889 Cb -0.13 -0.82 -0.00 0.00 0.21 0.00 0.00 66.02 65.28 1bxr s SER 889 CO 0.23 0.03 -0.18 -0.69 0.41 0.00 0.00 173.24 173.04 1bxr s VAL 890 N 0.70 1.52 -0.10 3.43 1.01 0.23 -0.43 120.40 126.76 1bxr s VAL 890 Ca -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1bxr s VAL 890 Cb -0.16 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1bxr s VAL 890 CO 0.03 0.44 0.05 -0.75 0.00 0.00 0.00 175.10 174.87 1bxr s LYS 891 N 0.06 3.21 0.07 2.72 2.20 0.15 -0.02 119.74 128.14 1bxr s LYS 891 Ca -0.05 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1bxr s LYS 891 Cb -0.12 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1bxr s LYS 891 CO 0.03 0.69 -0.11 -2.00 -0.36 0.00 0.00 175.35 173.60 1bxr s GLU 892 N -0.82 0.76 0.31 4.03 2.56 -0.32 -1.04 118.70 124.16 1bxr s GLU 892 Ca 0.13 -0.98 0.07 0.00 0.00 0.00 0.00 54.97 54.19 1bxr s GLU 892 Cb -0.12 -0.59 -0.03 0.00 2.00 0.00 0.00 34.13 35.40 1bxr s GLU 892 CO 0.03 0.11 0.29 0.14 -0.56 0.00 0.00 175.26 175.27 1bxr s VAL 893 N -1.71 3.96 -0.13 3.70 -7.23 -1.26 0.20 120.40 117.94 1bxr s VAL 893 Ca -0.01 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.86 1bxr s VAL 893 Cb -0.07 -3.32 -0.01 0.00 0.56 0.00 0.00 36.38 33.54 1bxr s VAL 893 CO 0.01 -0.23 -0.17 0.68 -0.31 0.00 0.00 175.10 175.08 1bxr s VAL 894 N -2.22 2.67 0.07 1.32 -7.23 -0.59 -4.88 120.40 109.53 1bxr s VAL 894 Ca 0.39 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1bxr s VAL 894 Cb -0.07 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1bxr s VAL 894 CO 0.27 0.53 0.02 -0.76 -0.31 0.00 0.00 175.10 174.85 1bxr s LEU 895 N 0.44 3.56 0.00 1.32 1.43 -1.26 -1.77 118.68 122.40 1bxr s LEU 895 Ca -0.12 -0.10 0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1bxr s LEU 895 Cb -0.16 -2.22 0.54 0.00 0.03 0.00 0.00 46.19 44.37 1bxr s LEU 895 CO 0.06 0.20 1.40 -0.81 0.23 0.00 0.00 176.35 177.42 1bxr n PRO 896 N 0.73 1.68 -0.10 1.29 -0.04 -1.26 -4.44 135.00 132.87 1bxr n PRO 896 Ca -0.11 -1.05 0.26 0.00 -0.04 0.00 0.00 63.50 62.57 1bxr n PRO 896 Cb 0.52 -1.31 0.67 0.00 -0.04 0.00 0.00 33.50 33.33 1bxr n PRO 896 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1bxr h PHE 897 N 1.89 0.00 0.00 0.54 0.04 -1.92 0.25 116.94 117.74 1bxr h PHE 897 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bxr h PHE 897 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 1bxr h PHE 897 CO 0.15 0.00 0.00 0.27 -0.60 0.00 0.00 178.31 178.13 1bxr n ASN 898 N -3.69 0.00 0.08 2.17 6.94 -1.26 -2.61 115.26 116.88 1bxr n ASN 898 Ca 0.16 0.42 0.11 0.00 -0.02 0.00 0.00 54.58 55.25 1bxr n ASN 898 Cb 1.03 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.95 1bxr n ASN 898 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1bxr n LYS 899 N -1.47 0.60 -3.41 -3.83 4.76 0.87 -4.59 118.16 111.09 1bxr n LYS 899 Ca 0.06 0.05 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 1bxr n LYS 899 Cb 0.24 -1.75 -0.09 0.00 -1.84 0.00 0.00 35.03 31.59 1bxr n LYS 899 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1bxr n PHE 900 N -2.55 1.39 -0.23 2.13 3.72 -1.07 -4.99 117.46 115.85 1bxr n PHE 900 Ca -0.01 -3.83 0.14 0.00 -0.05 0.00 0.00 57.45 53.71 1bxr n PHE 900 Cb 0.55 -0.35 0.44 0.00 -0.94 0.00 0.00 39.48 39.18 1bxr n PHE 900 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1bxr h PRO 901 N 4.57 0.54 0.00 -1.08 0.11 -1.81 -1.51 132.00 132.82 1bxr h PRO 901 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1bxr h PRO 901 Cb 0.80 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1bxr h PRO 901 CO 0.61 0.35 0.00 0.41 -0.21 0.00 0.00 178.00 179.16 1bxr n GLY 902 N -1.47 -0.55 3.77 -0.55 0.00 -1.26 -4.72 105.19 100.40 1bxr n GLY 902 Ca 0.17 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1bxr n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxr s VAL 903 N -2.00 4.74 -0.24 1.61 1.01 -0.57 -4.47 120.40 120.48 1bxr s VAL 903 Ca 0.06 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.53 1bxr s VAL 903 Cb 0.03 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1bxr s VAL 903 CO 0.05 0.50 0.99 -0.62 0.00 0.00 0.00 175.10 176.01 1bxr s ASP 904 N -1.29 7.02 -0.01 3.32 -1.08 -1.26 -4.90 116.67 118.47 1bxr s ASP 904 Ca 0.18 1.27 -0.03 0.00 -0.52 0.00 0.00 52.55 53.45 1bxr s ASP 904 Cb -0.12 -2.51 -0.13 0.00 -1.46 0.00 0.00 42.92 38.70 1bxr s ASP 904 CO 0.08 -0.65 2.83 -0.81 0.52 0.00 0.00 175.17 177.14 1bxr n PRO 905 N 6.29 1.53 -3.24 4.34 -0.04 -1.26 -4.88 135.00 137.73 1bxr n PRO 905 Ca 0.10 -0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 62.68 1bxr n PRO 905 Cb 0.46 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1bxr n PRO 905 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1bxr s LEU 906 N -0.06 4.11 0.41 1.53 2.96 -1.26 -5.04 118.68 121.32 1bxr s LEU 906 Ca 0.35 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.41 1bxr s LEU 906 Cb 0.17 -3.92 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1bxr s LEU 906 CO -0.00 -0.15 0.62 -0.76 -1.32 0.00 0.00 176.35 174.74 1bxr s LEU 907 N -2.90 3.79 0.00 -0.68 1.43 -1.26 -5.10 118.68 113.96 1bxr s LEU 907 Ca 0.51 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1bxr s LEU 907 Cb -0.11 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1bxr s LEU 907 CO 0.19 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1bxr n GLY 908 N -1.96 1.06 0.26 -3.19 0.00 -1.26 -4.99 105.19 95.10 1bxr n GLY 908 Ca -0.01 -0.79 0.17 0.00 0.00 0.00 0.00 46.02 45.39 1bxr n GLY 908 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bxr h PRO 909 N 0.00 0.00 -5.19 1.61 0.13 -1.72 0.92 132.00 127.74 1bxr h PRO 909 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1bxr h PRO 909 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1bxr h PRO 909 CO 0.00 0.00 -0.54 -2.00 -0.23 0.00 0.00 178.00 175.23 1bxr s GLU 910 N -3.71 4.01 0.16 0.86 2.12 -1.26 -4.39 118.70 116.50 1bxr s GLU 910 Ca 0.00 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 1bxr s GLU 910 Cb 0.10 -3.35 -0.08 0.00 0.26 0.00 0.00 34.13 31.05 1bxr s GLU 910 CO 0.47 0.18 1.27 1.41 -0.54 0.00 0.00 175.26 178.05 1bxr s MET 911 N 0.67 4.42 0.00 4.30 -2.45 0.10 -4.83 119.30 121.51 1bxr s MET 911 Ca 0.05 1.96 0.00 0.00 -1.25 0.00 0.00 55.69 56.46 1bxr s MET 911 Cb -0.13 -3.24 0.00 0.00 1.25 0.00 0.00 34.83 32.72 1bxr s MET 911 CO 0.01 -0.23 0.06 0.54 1.05 0.00 0.00 175.02 176.46 1bxr n ARG 912 N 2.96 2.42 -2.14 4.11 3.00 -1.26 -4.87 116.66 120.88 1bxr n ARG 912 Ca 0.07 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.85 57.50 1bxr n ARG 912 Cb 0.44 -0.38 0.01 0.00 0.00 0.00 0.00 32.46 32.53 1bxr n ARG 912 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1bxr s SER 913 N -0.36 5.69 -0.04 0.55 1.04 -1.26 -4.37 113.70 114.94 1bxr s SER 913 Ca 0.00 2.01 0.15 0.00 0.48 0.00 0.00 55.95 58.59 1bxr s SER 913 Cb 0.00 -2.56 -0.23 0.00 0.10 0.00 0.00 66.02 63.33 1bxr s SER 913 CO 0.00 -1.23 0.28 0.35 0.98 0.00 0.00 173.24 173.62 1bxr n THR 914 N -1.67 0.19 -3.48 2.02 -2.24 -0.73 -4.38 114.28 103.99 1bxr n THR 914 Ca 0.10 -0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 1bxr n THR 914 Cb 0.52 -0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1bxr n THR 914 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxr n GLY 915 N 1.72 2.53 3.40 3.38 0.00 -1.16 -4.57 105.19 110.49 1bxr n GLY 915 Ca -0.07 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1bxr n GLY 915 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bxr s GLU 916 N -2.11 1.22 0.17 1.61 -1.05 -1.26 -1.55 118.70 115.73 1bxr s GLU 916 Ca 0.05 -0.65 0.06 0.00 -0.15 0.00 0.00 54.97 54.27 1bxr s GLU 916 Cb -0.00 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.17 1bxr s GLU 916 CO 0.03 -0.51 -0.12 0.14 0.95 0.00 0.00 175.26 175.76 1bxr s VAL 917 N -3.80 1.42 -0.09 1.83 -7.23 0.13 -4.37 120.40 108.28 1bxr s VAL 917 Ca 0.03 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1bxr s VAL 917 Cb 0.00 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1bxr s VAL 917 CO -0.10 -0.68 -0.19 -0.32 -0.31 0.00 0.00 175.10 173.50 1bxr s MET 918 N -3.69 2.95 -0.14 4.82 1.75 -0.30 -1.18 119.30 123.50 1bxr s MET 918 Ca 0.19 -0.79 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 1bxr s MET 918 Cb 0.01 -2.39 0.01 0.00 2.84 0.00 0.00 34.83 35.30 1bxr s MET 918 CO 0.03 0.32 -0.21 0.20 -0.65 0.00 0.00 175.02 174.71 1bxr s GLY 919 N 0.03 1.34 -0.17 2.11 0.00 0.97 -4.68 107.32 106.93 1bxr s GLY 919 Ca -0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1bxr s GLY 919 CO 0.05 0.04 -0.13 0.14 0.00 0.00 0.00 173.10 173.20 1bxr s VAL 920 N 0.90 2.84 0.17 1.40 1.01 -1.26 0.77 120.40 126.23 1bxr s VAL 920 Ca -0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1bxr s VAL 920 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1bxr s VAL 920 CO -0.04 0.50 0.15 -0.83 0.00 0.00 0.00 175.10 174.88 1bxr s GLY 921 N 0.91 1.06 0.44 4.51 0.00 -0.38 -4.57 107.32 109.28 1bxr s GLY 921 Ca -0.03 -1.43 0.24 0.00 0.00 0.00 0.00 44.72 43.49 1bxr s GLY 921 CO -0.01 -1.25 1.81 3.21 0.00 0.00 0.00 173.10 176.87 1bxr h ARG 922 N 2.68 0.00 -4.96 2.90 3.08 -1.91 0.45 114.38 116.62 1bxr h ARG 922 Ca -0.34 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.29 1bxr h ARG 922 Cb 1.23 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.14 1bxr h ARG 922 CO 0.53 0.23 -0.58 0.95 -1.07 0.00 0.00 179.97 180.03 1bxr s THR 923 N -3.63 0.59 0.12 2.04 -4.23 -1.26 -4.67 115.64 104.61 1bxr s THR 923 Ca 0.01 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 1bxr s THR 923 Cb 0.10 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1bxr s THR 923 CO 0.64 0.00 1.70 0.15 -0.54 0.00 0.00 174.62 176.57 1bxr h PHE 924 N 2.21 0.43 -0.40 3.99 3.57 -1.95 -0.14 116.94 124.66 1bxr h PHE 924 Ca -0.37 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.19 1bxr h PHE 924 Cb 1.25 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1bxr h PHE 924 CO 0.79 0.38 0.02 0.00 -2.23 0.00 0.00 178.31 177.26 1bxr h ALA 925 N 1.01 0.39 -0.58 2.41 0.00 -1.95 0.76 119.26 121.30 1bxr h ALA 925 Ca 0.11 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1bxr h ALA 925 Cb 0.10 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1bxr h ALA 925 CO -0.01 -0.38 0.28 1.49 0.00 0.00 0.00 179.25 180.63 1bxr h GLU 926 N 0.13 0.83 -0.01 0.00 4.81 -1.84 -1.54 114.58 116.97 1bxr h GLU 926 Ca 0.20 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1bxr h GLU 926 Cb 0.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1bxr h GLU 926 CO -0.31 0.67 -0.06 0.00 -0.73 0.00 0.00 179.01 178.58 1bxr h ALA 927 N 1.12 -0.05 -0.31 2.92 0.00 -0.20 -2.48 119.26 120.26 1bxr h ALA 927 Ca 0.20 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1bxr h ALA 927 Cb 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bxr h ALA 927 CO -0.03 -0.55 0.18 0.35 0.00 0.00 0.00 179.25 179.20 1bxr h PHE 928 N -0.10 0.33 -0.87 0.00 3.04 -0.80 0.11 116.94 118.65 1bxr h PHE 928 Ca 0.03 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.02 1bxr h PHE 928 Cb 0.13 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.49 1bxr h PHE 928 CO -0.13 0.19 0.57 0.00 -2.02 0.00 0.00 178.31 176.92 1bxr h ALA 929 N 1.14 1.45 -0.16 2.41 0.00 -1.23 0.59 119.26 123.46 1bxr h ALA 929 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1bxr h ALA 929 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1bxr h ALA 929 CO -0.06 0.47 -0.24 0.87 0.00 0.00 0.00 179.25 180.30 1bxr h LYS 930 N 1.10 0.44 -0.32 0.00 1.57 -1.10 -1.80 116.57 116.45 1bxr h LYS 930 Ca 0.34 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1bxr h LYS 930 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1bxr h LYS 930 CO -0.10 0.85 0.20 0.00 -0.57 0.00 0.00 179.45 179.83 1bxr h ALA 931 N 0.58 0.41 -0.81 3.86 0.00 0.07 -1.04 119.26 122.33 1bxr h ALA 931 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 931 Cb 0.81 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1bxr h ALA 931 CO 0.05 -0.15 0.51 0.37 0.00 0.00 0.00 179.25 180.04 1bxr h GLN 932 N 0.41 1.08 -0.05 0.00 4.15 0.18 -1.03 115.11 119.84 1bxr h GLN 932 Ca 0.12 -0.08 -0.17 0.00 0.77 0.00 0.00 58.65 59.29 1bxr h GLN 932 Cb -0.02 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 27.44 1bxr h GLN 932 CO -0.04 0.73 -0.64 1.25 -1.93 0.00 0.00 178.83 178.19 1bxr h LEU 933 N 1.10 0.66 -1.75 -2.39 5.85 -1.11 -2.69 115.31 114.98 1bxr h LEU 933 Ca 0.29 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1bxr h LEU 933 Cb -0.09 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 1bxr h LEU 933 CO -0.06 1.26 -0.15 1.23 -0.34 0.00 0.00 178.44 180.39 1bxr h GLY 934 N 0.11 0.00 0.32 3.75 0.00 -0.99 -0.50 103.07 105.76 1bxr h GLY 934 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1bxr h GLY 934 CO 0.13 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.53 1bxr n SER 935 N -3.61 0.00 -2.07 0.19 3.41 -0.41 -4.76 113.62 106.38 1bxr n SER 935 Ca -0.01 -1.58 -0.16 0.00 -0.26 0.00 0.00 58.87 56.85 1bxr n SER 935 Cb 0.28 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1bxr n SER 935 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bxr n ASN 936 N -0.66 -4.84 -4.76 4.04 4.05 -0.20 -4.89 115.26 108.00 1bxr n ASN 936 Ca 0.07 -0.13 -0.41 0.00 0.45 0.00 0.00 54.58 54.57 1bxr n ASN 936 Cb 0.03 -3.82 -0.03 0.00 1.23 0.00 0.00 39.78 37.20 1bxr n ASN 936 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1bxr s SER 937 N -2.57 6.90 0.00 1.20 0.15 -1.02 -4.95 113.70 113.42 1bxr s SER 937 Ca 0.13 2.56 0.15 0.00 0.70 0.00 0.00 55.95 59.49 1bxr s SER 937 Cb -0.06 -2.64 0.59 0.00 -1.71 0.00 0.00 66.02 62.21 1bxr s SER 937 CO 0.16 -0.44 1.43 0.35 1.20 0.00 0.00 173.24 175.93 1bxr n THR 938 N 1.10 0.23 -1.59 6.45 -2.24 -1.26 -4.83 114.28 112.13 1bxr n THR 938 Ca 0.00 -0.29 -0.47 0.00 -2.27 0.00 0.00 64.05 61.03 1bxr n THR 938 Cb 0.43 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 1bxr n THR 938 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1bxr n MET 939 N 0.11 1.31 -4.34 -0.78 0.00 -1.26 -4.59 117.12 107.57 1bxr n MET 939 Ca 0.13 0.47 -0.23 0.00 0.00 0.00 0.00 57.70 58.06 1bxr n MET 939 Cb 0.24 -1.95 -0.08 0.00 0.00 0.00 0.00 33.22 31.43 1bxr n MET 939 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1bxr s LYS 940 N -0.66 2.13 0.00 2.12 -0.14 -1.26 -5.03 119.74 116.90 1bxr s LYS 940 Ca 0.69 -1.52 0.18 0.00 -1.36 0.00 0.00 55.97 53.96 1bxr s LYS 940 Cb -0.79 -2.05 0.58 0.00 -1.68 0.00 0.00 37.83 33.89 1bxr s LYS 940 CO 0.54 0.34 1.45 1.63 -0.76 0.00 0.00 175.35 178.54 1bxr n LYS 941 N -0.83 1.86 -3.82 1.68 5.02 -1.26 -4.92 118.16 115.89 1bxr n LYS 941 Ca -0.06 -1.31 -0.09 0.00 -2.02 0.00 0.00 58.31 54.82 1bxr n LYS 941 Cb 0.59 -1.38 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 1bxr n LYS 941 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1bxr s HIS 942 N -1.65 0.22 0.00 2.13 -3.43 -1.26 -4.87 115.29 106.43 1bxr s HIS 942 Ca 0.31 -0.88 0.00 0.00 -0.80 0.00 0.00 55.06 53.69 1bxr s HIS 942 Cb 0.17 0.78 0.00 0.00 -1.43 0.00 0.00 32.58 32.10 1bxr s HIS 942 CO 0.24 -1.57 0.00 0.41 -2.00 0.00 0.00 174.74 171.82 1bxr n GLY 943 N -0.54 0.13 3.59 -1.38 0.00 -1.26 -4.78 105.19 100.94 1bxr n GLY 943 Ca -0.08 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 1bxr n GLY 943 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxr s ARG 944 N 0.00 3.11 0.00 1.61 3.52 -1.26 -1.02 118.95 124.91 1bxr s ARG 944 Ca 0.00 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 1bxr s ARG 944 Cb 0.00 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.61 1bxr s ARG 944 CO 0.00 0.55 -0.21 0.00 -0.81 0.00 0.00 175.30 174.83 1bxr s ALA 945 N -0.47 2.44 -0.18 6.12 0.00 0.11 -0.49 121.76 129.29 1bxr s ALA 945 Ca 0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 1bxr s ALA 945 Cb -0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1bxr s ALA 945 CO 0.02 0.55 0.02 -1.17 0.00 0.00 0.00 175.76 175.18 1bxr s LEU 946 N -1.02 3.52 -0.15 0.00 2.96 -0.33 -1.17 118.68 122.49 1bxr s LEU 946 Ca 0.12 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1bxr s LEU 946 Cb -0.10 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1bxr s LEU 946 CO 0.02 0.15 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.26 1bxr s LEU 947 N 0.52 2.39 -0.43 -0.68 1.02 -0.30 0.48 118.68 121.68 1bxr s LEU 947 Ca 0.00 -0.50 0.05 0.00 0.02 0.00 0.00 54.13 53.71 1bxr s LEU 947 Cb -0.13 -1.53 0.17 0.00 0.02 0.00 0.00 46.19 44.72 1bxr s LEU 947 CO 0.02 0.09 0.51 -0.55 0.02 0.00 0.00 176.35 176.43 1bxr s SER 948 N 0.78 0.07 0.22 2.29 0.15 -0.46 -2.85 113.70 113.90 1bxr s SER 948 Ca -0.06 -1.84 0.08 0.00 0.70 0.00 0.00 55.95 54.83 1bxr s SER 948 Cb -0.15 0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 65.05 1bxr s SER 948 CO 0.00 -0.17 0.06 0.68 1.20 0.00 0.00 173.24 175.01 1bxr s VAL 949 N 1.03 3.88 0.75 4.45 -7.23 -1.26 -2.09 120.40 119.93 1bxr s VAL 949 Ca 0.24 -1.54 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 1bxr s VAL 949 Cb -0.05 -3.03 0.04 0.00 0.56 0.00 0.00 36.38 33.90 1bxr s VAL 949 CO -0.07 -0.25 1.11 0.00 -0.31 0.00 0.00 175.10 175.57 1bxr s ARG 950 N -3.40 2.51 0.21 4.82 1.04 -1.01 -4.79 118.95 118.34 1bxr s ARG 950 Ca 0.30 0.46 -0.16 0.00 -1.04 0.00 0.00 55.73 55.30 1bxr s ARG 950 Cb -0.08 -1.98 0.23 0.00 -2.04 0.00 0.00 34.95 31.08 1bxr s ARG 950 CO 0.21 -1.28 1.59 0.93 -0.04 0.00 0.00 175.30 176.71 1bxr h GLU 951 N -0.83 -0.06 -0.57 3.89 4.39 -1.96 -2.39 114.58 117.05 1bxr h GLU 951 Ca -0.46 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 1bxr h GLU 951 Cb 1.27 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 1bxr h GLU 951 CO 0.63 -0.04 0.34 0.78 -1.16 0.00 0.00 179.01 179.56 1bxr h GLY 952 N -0.06 0.81 -0.34 -3.84 0.00 -1.99 -1.31 103.07 96.34 1bxr h GLY 952 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1bxr h GLY 952 CO -0.75 0.32 0.00 1.22 0.00 0.00 0.00 176.54 177.33 1bxr n ASP 953 N -4.42 0.41 0.06 0.19 8.00 -0.90 -3.99 116.55 115.90 1bxr n ASP 953 Ca 0.05 -2.01 0.11 0.00 0.71 0.00 0.00 54.79 53.66 1bxr n ASP 953 Cb 0.07 -0.13 0.46 0.00 -0.02 0.00 0.00 41.12 41.50 1bxr n ASP 953 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bxr n LYS 954 N -0.31 0.12 -0.04 -1.24 4.01 -0.49 -2.57 118.16 117.64 1bxr n LYS 954 Ca 0.01 0.23 -0.22 0.00 -0.51 0.00 0.00 58.31 57.82 1bxr n LYS 954 Cb 0.09 -1.67 -0.13 0.00 -0.51 0.00 0.00 35.03 32.80 1bxr n LYS 954 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1bxr h GLU 955 N 0.00 0.15 -0.00 1.97 4.81 -1.81 -3.38 114.58 116.32 1bxr h GLU 955 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1bxr h GLU 955 Cb 0.46 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1bxr h GLU 955 CO 0.00 1.13 -0.10 0.54 -0.73 0.00 0.00 179.01 179.84 1bxr n ARG 956 N -3.96 0.06 -0.14 1.92 1.74 -1.23 -3.69 116.66 111.36 1bxr n ARG 956 Ca -0.31 -0.01 -0.06 0.00 -0.77 0.00 0.00 57.85 56.70 1bxr n ARG 956 Cb 0.87 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.92 1bxr n ARG 956 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1bxr h VAL 957 N 0.03 1.25 0.26 1.55 3.04 -1.67 -1.89 116.25 118.81 1bxr h VAL 957 Ca 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1bxr h VAL 957 Cb 0.48 0.88 -0.02 0.00 -2.01 0.00 0.00 31.29 30.62 1bxr h VAL 957 CO 0.00 0.38 -0.28 0.58 -1.01 0.00 0.00 177.57 177.25 1bxr h VAL 958 N 0.81 0.41 -0.91 1.51 2.07 -1.79 1.05 116.25 119.40 1bxr h VAL 958 Ca 0.15 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.80 1bxr h VAL 958 Cb 0.51 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1bxr h VAL 958 CO 0.03 0.00 0.58 -0.78 0.02 0.00 0.00 177.57 177.42 1bxr h ASP 959 N -0.58 0.72 -0.10 0.57 3.58 -1.72 0.33 116.42 119.23 1bxr h ASP 959 Ca -0.01 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.44 1bxr h ASP 959 Cb 0.54 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 1bxr h ASP 959 CO -0.07 0.38 -0.11 0.25 -2.88 0.00 0.00 179.24 176.81 1bxr h LEU 960 N 0.77 0.26 -0.35 2.28 5.85 -0.37 -0.92 115.31 122.83 1bxr h LEU 960 Ca 0.45 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1bxr h LEU 960 Cb 0.63 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1bxr h LEU 960 CO -0.21 0.70 0.08 0.00 -0.34 0.00 0.00 178.44 178.67 1bxr h ALA 961 N 0.57 0.38 -0.11 1.25 0.00 0.23 -1.09 119.26 120.48 1bxr h ALA 961 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1bxr h ALA 961 Cb 0.63 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1bxr h ALA 961 CO 0.03 -0.33 -0.27 0.00 0.00 0.00 0.00 179.25 178.68 1bxr h ALA 962 N 1.26 -0.30 -0.96 0.00 0.00 -0.31 -0.34 119.26 118.61 1bxr h ALA 962 Ca 0.17 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.22 1bxr h ALA 962 Cb 0.18 0.52 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1bxr h ALA 962 CO -0.21 -0.75 0.61 0.87 0.00 0.00 0.00 179.25 179.78 1bxr h LYS 963 N -0.35 0.89 -0.29 0.00 1.57 -0.67 0.24 116.57 117.96 1bxr h LYS 963 Ca 0.09 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1bxr h LYS 963 Cb 0.50 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1bxr h LYS 963 CO -0.32 0.59 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.77 1bxr h LEU 964 N 0.92 0.64 -0.18 2.94 3.38 -0.22 -2.73 115.31 120.05 1bxr h LEU 964 Ca 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1bxr h LEU 964 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1bxr h LEU 964 CO -0.24 0.91 -0.01 -0.07 0.09 0.00 0.00 178.44 179.13 1bxr h LEU 965 N 0.52 0.32 -2.67 1.67 3.38 0.63 0.12 115.31 119.28 1bxr h LEU 965 Ca 0.06 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1bxr h LEU 965 Cb 0.81 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1bxr h LEU 965 CO 0.07 0.56 0.08 0.50 0.09 0.00 0.00 178.44 179.74 1bxr h LYS 966 N 0.08 0.00 0.00 1.13 3.64 -0.50 0.70 116.57 121.62 1bxr h LYS 966 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1bxr h LYS 966 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1bxr h LYS 966 CO 0.01 0.00 -0.50 0.94 -2.27 0.00 0.00 179.45 177.63 1bxr n GLN 967 N -3.24 0.11 0.00 1.90 -0.06 -0.87 -4.93 117.38 110.29 1bxr n GLN 967 Ca -0.02 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1bxr n GLN 967 Cb 0.15 -1.57 0.00 0.00 -4.06 0.00 0.00 30.24 24.77 1bxr n GLN 967 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1bxr n GLY 968 N 1.44 1.01 3.85 1.69 0.00 0.24 -4.86 105.19 108.56 1bxr n GLY 968 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1bxr n GLY 968 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bxr s PHE 969 N -2.00 3.11 -0.09 1.61 0.40 0.35 -4.51 117.98 116.86 1bxr s PHE 969 Ca 0.00 1.13 0.04 0.00 -0.60 0.00 0.00 56.93 57.49 1bxr s PHE 969 Cb 0.00 -3.07 -0.01 0.00 0.51 0.00 0.00 43.02 40.45 1bxr s PHE 969 CO 0.00 -1.41 -0.20 -1.21 0.70 0.00 0.00 175.22 173.10 1bxr s GLU 970 N -5.25 2.88 0.09 0.44 2.02 -0.19 -4.52 118.70 114.17 1bxr s GLU 970 Ca 0.59 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1bxr s GLU 970 Cb -0.13 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 1bxr s GLU 970 CO 0.53 0.33 0.22 -0.51 0.02 0.00 0.00 175.26 175.85 1bxr s LEU 971 N 0.00 4.31 0.04 1.80 1.43 -1.26 0.09 118.68 125.10 1bxr s LEU 971 Ca -0.07 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1bxr s LEU 971 Cb -0.15 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1bxr s LEU 971 CO 0.05 0.14 -0.08 -1.81 0.23 0.00 0.00 176.35 174.88 1bxr s ASP 972 N -2.71 0.85 0.19 2.29 1.11 -0.32 -1.99 116.67 116.10 1bxr s ASP 972 Ca 0.34 -0.50 -0.15 0.00 0.18 0.00 0.00 52.55 52.42 1bxr s ASP 972 Cb -0.12 0.02 0.01 0.00 1.07 0.00 0.00 42.92 43.90 1bxr s ASP 972 CO 0.28 -0.17 0.45 0.00 1.18 0.00 0.00 175.17 176.90 1bxr s ALA 973 N -1.25 -0.59 0.61 5.23 0.00 -0.77 -1.15 121.76 123.84 1bxr s ALA 973 Ca -0.09 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1bxr s ALA 973 Cb -0.09 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.98 1bxr s ALA 973 CO 0.00 -0.77 0.85 0.95 0.00 0.00 0.00 175.76 176.79 1bxr s THR 974 N -3.92 2.41 0.00 0.00 -4.23 -1.13 -1.56 115.64 107.22 1bxr s THR 974 Ca 0.13 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1bxr s THR 974 Cb 0.00 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1bxr s THR 974 CO -0.01 0.00 0.12 1.57 -0.54 0.00 0.00 174.62 175.77 1bxr n HIS 975 N -2.48 0.00 -0.34 3.99 -0.00 -1.26 -1.17 115.22 113.96 1bxr n HIS 975 Ca 0.12 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.47 1bxr n HIS 975 Cb 0.60 0.00 0.39 0.00 -0.12 0.00 0.00 29.99 30.86 1bxr n HIS 975 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1bxr h GLY 976 N 0.00 1.75 0.91 1.57 0.00 -1.96 -0.74 103.07 104.61 1bxr h GLY 976 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1bxr h GLY 976 CO 0.00 -0.17 0.00 -0.84 0.00 0.00 0.00 176.54 175.53 1bxr h THR 977 N 0.60 1.26 -0.75 4.70 2.02 -1.80 -2.78 112.91 116.16 1bxr h THR 977 Ca 0.62 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.89 1bxr h THR 977 Cb 1.17 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.75 1bxr h THR 977 CO -0.42 0.32 0.49 0.00 0.37 0.00 0.00 175.52 176.28 1bxr h ALA 978 N 0.86 1.67 -0.05 6.16 0.00 0.30 0.16 119.26 128.35 1bxr h ALA 978 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bxr h ALA 978 Cb 0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bxr h ALA 978 CO 0.02 0.22 0.03 0.82 0.00 0.00 0.00 179.25 180.33 1bxr h ILE 979 N 0.80 1.07 -0.34 0.00 1.08 -1.08 -0.36 117.51 118.69 1bxr h ILE 979 Ca 0.32 -0.21 -0.09 0.00 -0.39 0.00 0.00 64.86 64.49 1bxr h ILE 979 Cb 0.24 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 1bxr h ILE 979 CO -0.11 0.06 -0.15 0.58 -0.69 0.00 0.00 178.15 177.84 1bxr h VAL 980 N -0.01 1.29 -0.64 1.67 2.07 -1.17 -2.20 116.25 117.26 1bxr h VAL 980 Ca 0.02 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1bxr h VAL 980 Cb 0.07 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1bxr h VAL 980 CO -0.00 0.41 0.41 -0.07 0.02 0.00 0.00 177.57 178.33 1bxr h LEU 981 N 0.47 0.76 -0.60 2.57 3.38 -0.95 -2.15 115.31 118.79 1bxr h LEU 981 Ca 0.08 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1bxr h LEU 981 Cb 0.68 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 1bxr h LEU 981 CO 0.05 0.57 0.19 1.23 0.09 0.00 0.00 178.44 180.57 1bxr h GLY 982 N 0.87 0.81 2.00 0.83 0.00 0.80 0.34 103.07 108.72 1bxr h GLY 982 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1bxr h GLY 982 CO -0.05 -0.05 -0.07 0.83 0.00 0.00 0.00 176.54 177.20 1bxr h GLU 983 N 0.35 0.00 0.00 4.80 5.08 -1.09 -0.89 114.58 122.83 1bxr h GLU 983 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1bxr h GLU 983 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1bxr h GLU 983 CO -0.33 0.07 -0.29 0.00 -1.00 0.00 0.00 179.01 177.47 1bxr h ALA 984 N 1.93 0.85 0.00 3.43 0.00 -0.52 -3.47 119.26 121.49 1bxr h ALA 984 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bxr h ALA 984 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bxr h ALA 984 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1bxr n GLY 985 N 1.15 0.77 3.67 0.00 0.00 -0.34 -5.08 105.19 105.36 1bxr n GLY 985 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1bxr n GLY 985 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bxr s ILE 986 N -2.00 5.02 -0.60 -0.61 1.01 0.10 -4.91 121.20 119.21 1bxr s ILE 986 Ca 0.00 1.25 -0.02 0.00 0.00 0.00 0.00 60.65 61.88 1bxr s ILE 986 Cb 0.00 -3.97 0.15 0.00 0.01 0.00 0.00 42.46 38.66 1bxr s ILE 986 CO 0.00 0.13 0.40 0.20 0.00 0.00 0.00 174.94 175.67 1bxr s ASN 987 N 1.12 5.08 1.22 3.58 0.02 -1.26 -0.87 114.94 123.83 1bxr s ASN 987 Ca 0.30 -2.85 -0.19 0.00 -1.02 0.00 0.00 52.86 49.11 1bxr s ASN 987 Cb -0.16 -1.82 0.29 0.00 0.02 0.00 0.00 41.25 39.59 1bxr s ASN 987 CO 0.11 -0.35 1.07 -2.84 0.02 0.00 0.00 177.10 175.12 1bxr s PRO 988 N -0.05 -1.38 -0.19 -0.60 0.02 -1.26 -4.98 135.00 126.56 1bxr s PRO 988 Ca 0.17 0.06 -0.13 0.00 0.02 0.00 0.00 61.00 61.12 1bxr s PRO 988 Cb -0.21 -1.57 -0.05 0.00 0.02 0.00 0.00 34.50 32.69 1bxr s PRO 988 CO -0.03 -3.84 0.25 0.50 -0.33 0.00 0.00 177.00 173.55 1bxr s ARG 989 N -5.27 4.21 0.30 5.54 3.52 -0.84 -4.93 118.95 121.48 1bxr s ARG 989 Ca 0.70 -0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.98 1bxr s ARG 989 Cb -0.12 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.72 1bxr s ARG 989 CO 0.57 0.19 1.25 -1.17 -0.81 0.00 0.00 175.30 175.33 1bxr s LEU 990 N 0.64 4.46 -0.01 -0.88 2.96 -1.26 -1.85 118.68 122.74 1bxr s LEU 990 Ca 0.13 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.62 1bxr s LEU 990 Cb -0.13 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1bxr s LEU 990 CO 0.03 -0.43 -0.10 0.54 -1.32 0.00 0.00 176.35 175.07 1bxr s VAL 991 N -1.01 0.79 -0.04 1.68 0.11 -0.60 -4.88 120.40 116.44 1bxr s VAL 991 Ca 0.49 -0.42 -0.23 0.00 -2.93 0.00 0.00 61.98 58.89 1bxr s VAL 991 Cb -0.37 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1bxr s VAL 991 CO 0.48 0.23 0.67 0.20 -3.33 0.00 0.00 175.10 173.35 1bxr s ASN 992 N -0.17 7.00 1.15 3.54 0.02 -1.26 -4.18 114.94 121.05 1bxr s ASN 992 Ca 0.03 1.19 -0.09 0.00 -1.02 0.00 0.00 52.86 52.97 1bxr s ASN 992 Cb -0.05 -2.40 0.14 0.00 0.02 0.00 0.00 41.25 38.96 1bxr s ASN 992 CO -0.00 -0.03 0.36 0.29 0.02 0.00 0.00 177.10 177.73 1bxr n LYS 993 N 3.36 -2.65 0.09 -0.60 5.02 -1.26 -1.57 118.16 120.55 1bxr n LYS 993 Ca -0.03 -0.59 -0.03 0.00 -2.02 0.00 0.00 58.31 55.63 1bxr n LYS 993 Cb 0.51 -0.69 -0.06 0.00 -0.02 0.00 0.00 35.03 34.77 1bxr n LYS 993 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bxr h VAL 994 N -2.40 1.38 0.00 -0.18 2.07 -1.97 -3.02 116.25 112.13 1bxr h VAL 994 Ca -0.15 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.42 1bxr h VAL 994 Cb 0.49 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1bxr h VAL 994 CO 0.09 0.78 -0.46 0.00 0.02 0.00 0.00 177.57 178.01 1bxr n HIS 995 N -3.30 0.33 0.12 1.57 -0.00 -1.26 -4.25 115.22 108.42 1bxr n HIS 995 Ca 0.01 0.10 -0.22 0.00 -0.00 0.00 0.00 57.72 57.60 1bxr n HIS 995 Cb 0.86 -0.52 -0.14 0.00 -0.00 0.00 0.00 29.99 30.18 1bxr n HIS 995 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1bxr h GLU 996 N 0.00 0.54 0.00 -1.40 5.08 -1.85 -3.50 114.58 113.44 1bxr h GLU 996 Ca 0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 59.36 57.55 1bxr h GLU 996 Cb 0.63 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1bxr h GLU 996 CO 0.00 1.37 0.00 0.41 -1.00 0.00 0.00 179.01 179.79 1bxr n GLY 997 N 1.51 -0.74 3.64 -3.84 0.00 -1.24 -4.93 105.19 99.59 1bxr n GLY 997 Ca -0.14 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1bxr n GLY 997 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxr s ARG 998 N -0.41 0.27 0.60 1.61 3.52 -1.26 -4.34 118.95 118.93 1bxr s ARG 998 Ca 0.00 0.37 -0.17 0.00 -0.13 0.00 0.00 55.73 55.80 1bxr s ARG 998 Cb 0.00 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.46 1bxr s ARG 998 CO 0.00 -0.04 1.10 -1.25 -0.81 0.00 0.00 175.30 174.30 1bxr s PRO 999 N 0.57 3.14 0.50 5.12 0.04 -1.26 -5.12 135.00 138.00 1bxr s PRO 999 Ca -0.00 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.51 1bxr s PRO 999 Cb -0.04 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 1bxr s PRO 999 CO -0.12 -0.98 0.22 -3.38 0.04 0.00 0.00 177.00 172.78 1bxr s HIS 1000N -2.15 1.96 0.18 0.56 -3.43 -1.26 -4.18 115.29 106.97 1bxr s HIS 1000Ca 0.68 -0.81 -0.25 0.00 -0.80 0.00 0.00 55.06 53.89 1bxr s HIS 1000Cb -0.20 -1.83 0.06 0.00 -1.43 0.00 0.00 32.58 29.17 1bxr s HIS 1000CO 0.34 -0.08 1.57 -0.84 -2.00 0.00 0.00 174.74 173.73 1bxr h ILE 1001N 1.12 0.08 -0.71 -5.38 -0.00 -1.53 0.36 117.51 111.44 1bxr h ILE 1001Ca -0.41 0.00 0.15 0.00 -0.00 0.00 0.00 64.86 64.60 1bxr h ILE 1001Cb 1.29 0.08 -0.10 0.00 -0.00 0.00 0.00 36.82 38.09 1bxr h ILE 1001CO 0.66 0.00 0.19 -0.61 -0.00 0.00 0.00 178.15 178.39 1bxr h GLN 1002N -0.19 0.28 0.04 0.16 -0.00 -1.93 1.52 115.11 114.99 1bxr h GLN 1002Ca 0.20 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1bxr h GLN 1002Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.97 1bxr h GLN 1002CO -0.72 0.19 -0.02 -0.44 0.00 0.00 0.00 178.83 177.84 1bxr h ASP 1003N 0.29 -0.04 -0.49 -0.69 3.32 -1.28 0.11 116.42 117.65 1bxr h ASP 1003Ca 0.40 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 1bxr h ASP 1003Cb 0.65 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1bxr h ASP 1003CO -0.47 0.16 0.03 0.03 -1.72 0.00 0.00 179.24 177.27 1bxr h ARG 1004N -0.24 0.90 -0.08 3.56 3.08 0.14 0.69 114.38 122.42 1bxr h ARG 1004Ca -0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1bxr h ARG 1004Cb 0.22 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1bxr h ARG 1004CO 0.01 0.87 -0.01 0.82 -1.07 0.00 0.00 179.97 180.59 1bxr h ILE 1005N 0.84 1.27 -0.46 2.04 2.04 0.21 -1.12 117.51 122.33 1bxr h ILE 1005Ca 0.16 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.23 1bxr h ILE 1005Cb 0.45 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1bxr h ILE 1005CO 0.02 0.24 0.31 0.50 0.00 0.00 0.00 178.15 179.22 1bxr h LYS 1006N -0.15 0.33 0.00 2.37 3.64 -0.61 -1.04 116.57 121.10 1bxr h LYS 1006Ca 0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bxr h LYS 1006Cb 0.38 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1bxr h LYS 1006CO 0.01 0.22 0.00 0.09 -2.27 0.00 0.00 179.45 177.49 1bxr n ASN 1007N -4.47 0.67 0.00 4.20 5.03 0.22 -4.89 115.26 116.02 1bxr n ASN 1007Ca 0.06 0.60 0.00 0.00 0.87 0.00 0.00 54.58 56.11 1bxr n ASN 1007Cb 0.28 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.28 1bxr n ASN 1007CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bxr n GLY 1008N 0.77 0.71 0.21 7.41 0.00 -0.39 -4.96 105.19 108.93 1bxr n GLY 1008Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.49 1bxr n GLY 1008CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bxr h GLU 1009N 0.00 0.07 -6.20 1.61 4.57 -1.38 -3.45 114.58 109.80 1bxr h GLU 1009Ca 0.00 -0.02 -0.61 0.00 -1.18 0.00 0.00 59.36 57.54 1bxr h GLU 1009Cb 0.07 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.56 1bxr h GLU 1009CO 0.00 0.33 -0.59 0.71 -1.18 0.00 0.00 179.01 178.28 1bxr s TYR 1010N -4.46 3.16 -0.18 0.92 2.02 -1.26 -4.33 117.35 113.22 1bxr s TYR 1010Ca -0.04 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 1bxr s TYR 1010Cb 0.15 -1.57 -0.07 0.00 -0.40 0.00 0.00 41.96 40.07 1bxr s TYR 1010CO 0.72 0.52 0.20 0.25 -1.57 0.00 0.00 175.55 175.67 1bxr n THR 1011N 0.16 0.00 -3.76 -0.71 -2.24 0.36 -4.92 114.28 103.17 1bxr n THR 1011Ca -0.09 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 1bxr n THR 1011Cb 0.53 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.48 1bxr n THR 1011CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bxr s TYR 1012N -1.76 -0.25 -0.05 4.78 5.04 -1.17 -4.12 117.35 119.82 1bxr s TYR 1012Ca 0.01 0.53 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 1bxr s TYR 1012Cb 0.04 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.48 1bxr s TYR 1012CO 0.22 -0.29 0.01 0.42 -1.34 0.00 0.00 175.55 174.58 1bxr s ILE 1013N -0.65 0.20 -0.28 3.14 1.01 0.00 -1.19 121.20 123.43 1bxr s ILE 1013Ca -0.07 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1bxr s ILE 1013Cb -0.04 -0.35 0.05 0.00 0.01 0.00 0.00 42.46 42.13 1bxr s ILE 1013CO 0.02 0.20 -0.03 -0.51 0.00 0.00 0.00 174.94 174.62 1bxr s ILE 1014N 1.59 2.84 -0.22 2.92 1.10 0.18 -1.25 121.20 128.36 1bxr s ILE 1014Ca -0.02 -1.34 -0.01 0.00 -0.51 0.00 0.00 60.65 58.77 1bxr s ILE 1014Cb -0.13 -2.60 0.06 0.00 0.15 0.00 0.00 42.46 39.95 1bxr s ILE 1014CO -0.03 -0.03 0.00 0.21 -2.11 0.00 0.00 174.94 172.98 1bxr s ASN 1015N 1.25 3.37 -0.01 4.50 3.04 -0.29 -1.36 114.94 125.43 1bxr s ASN 1015Ca -0.05 -1.02 0.02 0.00 0.04 0.00 0.00 52.86 51.85 1bxr s ASN 1015Cb -0.19 -0.86 -0.03 0.00 -1.54 0.00 0.00 41.25 38.63 1bxr s ASN 1015CO -0.02 -0.28 -0.04 0.42 -3.04 0.00 0.00 177.10 174.13 1bxr s THR 1016N 1.65 3.83 0.38 -5.21 -4.23 -0.89 -4.20 115.64 106.97 1bxr s THR 1016Ca -0.02 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.86 1bxr s THR 1016Cb -0.18 -2.66 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 1bxr s THR 1016CO -0.08 0.42 0.07 -0.89 -0.54 0.00 0.00 174.62 173.60 1bxr s THR 1017N -1.00 1.08 -0.30 3.99 2.01 -1.26 -2.40 115.64 117.76 1bxr s THR 1017Ca 0.17 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.08 1bxr s THR 1017Cb -0.11 -2.61 0.16 0.00 0.01 0.00 0.00 72.50 69.94 1bxr s THR 1017CO 0.07 0.00 0.77 -0.55 -0.69 0.00 0.00 174.62 174.22 1bxr s SER 1018N -3.58 -0.99 0.00 3.53 0.15 -1.26 -4.87 113.70 106.68 1bxr s SER 1018Ca 0.29 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1bxr s SER 1018Cb 0.06 2.00 0.00 0.00 -1.71 0.00 0.00 66.02 66.37 1bxr s SER 1018CO 0.14 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1bxr n GLY 1019N 5.33 2.34 0.35 9.45 0.00 -1.26 -4.53 105.19 116.86 1bxr n GLY 1019Ca -0.08 -1.57 0.01 0.00 0.00 0.00 0.00 46.02 44.38 1bxr n GLY 1019CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bxr h ARG 1020N 0.00 -0.03 -0.24 1.61 2.47 -2.00 -1.73 114.38 114.47 1bxr h ARG 1020Ca 0.00 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 1bxr h ARG 1020Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1bxr h ARG 1020CO 0.00 -0.02 -0.60 -0.09 0.56 0.00 0.00 179.97 179.82 1bxr h ARG 1021N -0.03 0.78 0.00 0.04 2.43 -1.99 -2.82 114.38 112.79 1bxr h ARG 1021Ca 0.37 -0.53 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1bxr h ARG 1021Cb 0.62 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1bxr h ARG 1021CO -0.90 1.15 -0.06 0.00 -1.51 0.00 0.00 179.97 178.66 1bxr h ALA 1022N 0.73 1.02 0.00 2.80 0.00 -1.66 -1.94 119.26 120.22 1bxr h ALA 1022Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1bxr h ALA 1022Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bxr h ALA 1022CO 0.13 0.07 -0.08 0.82 0.00 0.00 0.00 179.25 180.19 1bxr h ILE 1023N 0.00 1.61 0.00 0.00 2.04 -1.32 -3.03 117.51 116.80 1bxr h ILE 1023Ca -0.00 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 1bxr h ILE 1023Cb 0.54 2.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1bxr h ILE 1023CO 0.01 0.50 -0.06 -0.33 0.00 0.00 0.00 178.15 178.27 1bxr h GLU 1024N -0.71 0.00 -0.02 2.37 5.08 -1.36 -2.02 114.58 117.93 1bxr h GLU 1024Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1bxr h GLU 1024Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1bxr h GLU 1024CO 0.02 0.06 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.42 1bxr h ASP 1025N 0.00 0.24 -0.03 1.42 5.19 -1.40 -3.32 116.42 118.52 1bxr h ASP 1025Ca -0.00 -0.72 0.00 0.00 -0.62 0.00 0.00 57.03 55.69 1bxr h ASP 1025Cb 0.41 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1bxr h ASP 1025CO 0.01 0.92 0.00 -1.54 -3.12 0.00 0.00 179.24 175.51 1bxr n SER 1026N -4.52 0.68 -0.06 6.45 3.41 -1.05 -4.35 113.62 114.17 1bxr n SER 1026Ca -0.09 -1.34 0.19 0.00 -0.26 0.00 0.00 58.87 57.36 1bxr n SER 1026Cb 0.48 -0.02 0.63 0.00 -0.26 0.00 0.00 64.21 65.04 1bxr n SER 1026CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bxr h ARG 1027N 1.01 0.14 0.00 4.33 2.43 -1.47 -2.09 114.38 118.73 1bxr h ARG 1027Ca 0.00 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1bxr h ARG 1027Cb 0.22 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1bxr h ARG 1027CO 0.00 0.09 -0.31 -0.24 -1.51 0.00 0.00 179.97 178.00 1bxr h VAL 1028N 0.14 0.88 -0.30 0.20 3.04 -1.86 -1.09 116.25 117.26 1bxr h VAL 1028Ca 0.30 -1.23 -0.10 0.00 -1.01 0.00 0.00 66.70 64.66 1bxr h VAL 1028Cb 0.98 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 1bxr h VAL 1028CO -0.04 0.30 -0.22 0.40 -1.01 0.00 0.00 177.57 177.00 1bxr h ILE 1029N 0.00 1.30 0.28 3.17 5.03 -1.72 -1.61 117.51 123.96 1bxr h ILE 1029Ca -0.00 -1.36 -0.01 0.00 -0.12 0.00 0.00 64.86 63.36 1bxr h ILE 1029Cb 0.71 1.52 0.00 0.00 -3.03 0.00 0.00 36.82 36.02 1bxr h ILE 1029CO 0.04 0.44 -0.14 0.03 -0.68 0.00 0.00 178.15 177.84 1bxr h ARG 1030N 0.43 -0.36 -0.86 2.37 3.08 -1.59 0.37 114.38 117.82 1bxr h ARG 1030Ca 0.06 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1bxr h ARG 1030Cb 0.77 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 1bxr h ARG 1030CO 0.06 -0.15 0.57 0.00 -1.07 0.00 0.00 179.97 179.38 1bxr h ARG 1031N -0.52 1.12 -0.35 0.04 3.08 -1.23 -2.01 114.38 114.52 1bxr h ARG 1031Ca -0.04 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1bxr h ARG 1031Cb 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1bxr h ARG 1031CO 0.06 0.74 -0.36 0.66 -1.07 0.00 0.00 179.97 180.01 1bxr h SER 1032N 1.16 0.92 -0.99 7.04 4.64 -1.11 -1.62 113.55 123.59 1bxr h SER 1032Ca 0.32 -0.47 0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1bxr h SER 1032Cb -0.11 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 61.64 1bxr h SER 1032CO -0.08 1.20 0.63 0.00 -0.87 0.00 0.00 176.83 177.72 1bxr h ALA 1033N 0.75 1.50 0.36 5.18 0.00 0.02 -0.90 119.26 126.16 1bxr h ALA 1033Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1bxr h ALA 1033Cb 0.94 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1bxr h ALA 1033CO 0.09 0.30 -0.17 1.25 0.00 0.00 0.00 179.25 180.72 1bxr h LEU 1034N 1.05 -0.40 -1.57 0.00 5.85 -1.26 0.13 115.31 119.11 1bxr h LEU 1034Ca 0.46 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1bxr h LEU 1034Cb 0.37 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1bxr h LEU 1034CO -0.22 -0.07 0.44 -0.61 -0.34 0.00 0.00 178.44 177.63 1bxr h GLN 1035N -0.77 0.47 -0.19 1.25 4.15 -0.96 -2.16 115.11 116.91 1bxr h GLN 1035Ca -0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1bxr h GLN 1035Cb 0.51 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1bxr h GLN 1035CO 0.08 0.31 0.00 0.66 -1.93 0.00 0.00 178.83 177.95 1bxr n TYR 1036N -4.48 0.23 -3.28 3.99 4.01 -0.37 -4.97 117.16 112.28 1bxr n TYR 1036Ca 0.11 -0.11 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 1bxr n TYR 1036Cb 0.37 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.47 1bxr n TYR 1036CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1bxr n LYS 1037N 0.99 -5.99 -3.99 -0.72 4.76 -0.81 -5.04 118.16 107.35 1bxr n LYS 1037Ca 0.17 0.72 -0.35 0.00 -2.87 0.00 0.00 58.31 55.98 1bxr n LYS 1037Cb 0.50 -5.38 -0.09 0.00 -1.84 0.00 0.00 35.03 28.22 1bxr n LYS 1037CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1bxr s VAL 1038N -3.30 4.89 0.18 -0.18 1.01 0.40 -4.80 120.40 118.60 1bxr s VAL 1038Ca 0.15 -0.00 -0.32 0.00 0.00 0.00 0.00 61.98 61.81 1bxr s VAL 1038Cb -0.06 -3.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1bxr s VAL 1038CO 0.62 0.49 1.68 -2.28 0.00 0.00 0.00 175.10 175.61 1bxr s HIS 1039N 0.10 2.85 0.05 5.22 2.46 -1.26 -4.64 115.29 120.07 1bxr s HIS 1039Ca 0.06 0.39 0.04 0.00 0.47 0.00 0.00 55.06 56.02 1bxr s HIS 1039Cb -0.12 -4.07 -0.02 0.00 -0.13 0.00 0.00 32.58 28.24 1bxr s HIS 1039CO 0.00 -4.07 -0.11 1.52 -2.47 0.00 0.00 174.74 169.62 1bxr s TYR 1040N 1.41 0.94 -0.02 3.88 1.13 -1.26 -0.82 117.35 122.62 1bxr s TYR 1040Ca 0.74 -0.45 0.07 0.00 -1.41 0.00 0.00 57.07 56.02 1bxr s TYR 1040Cb -0.47 -0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 39.82 1bxr s TYR 1040CO 0.32 -0.01 -0.23 -0.51 -2.51 0.00 0.00 175.55 172.61 1bxr s ASP 1041N -1.53 2.72 0.00 -0.18 1.01 -0.38 -4.96 116.67 113.35 1bxr s ASP 1041Ca -0.05 -0.42 0.07 0.00 0.71 0.00 0.00 52.55 52.86 1bxr s ASP 1041Cb -0.09 -0.31 0.13 0.00 1.01 0.00 0.00 42.92 43.66 1bxr s ASP 1041CO 0.01 0.28 0.95 0.35 0.21 0.00 0.00 175.17 176.98 1bxr n THR 1042N 2.52 0.51 -4.30 -1.27 -2.24 -1.26 -1.14 114.28 107.09 1bxr n THR 1042Ca -0.16 -0.75 -0.18 0.00 -2.27 0.00 0.00 64.05 60.69 1bxr n THR 1042Cb 0.52 0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 69.44 1bxr n THR 1042CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bxr s THR 1043N -0.81 0.81 0.14 4.28 -4.23 -1.26 -4.45 115.64 110.12 1bxr s THR 1043Ca 0.12 -0.70 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1bxr s THR 1043Cb 0.07 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1bxr s THR 1043CO 0.10 0.03 1.62 0.25 -0.54 0.00 0.00 174.62 176.08 1bxr h LEU 1044N 5.35 0.72 -1.67 4.79 5.85 -1.95 0.06 115.31 128.46 1bxr h LEU 1044Ca -0.34 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.18 1bxr h LEU 1044Cb 1.18 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1bxr h LEU 1044CO 0.46 0.80 0.33 0.78 -0.34 0.00 0.00 178.44 180.47 1bxr h ASN 1045N 0.61 0.36 0.01 1.25 4.21 -1.97 0.51 115.58 120.56 1bxr h ASN 1045Ca 0.14 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.65 1bxr h ASN 1045Cb 0.39 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1bxr h ASN 1045CO 0.01 0.24 -0.00 1.23 -1.29 0.00 0.00 177.43 177.61 1bxr h GLY 1046N 0.41 -0.01 0.98 2.83 0.00 -1.63 -2.01 103.07 103.64 1bxr h GLY 1046Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1bxr h GLY 1046CO -0.05 -0.00 0.54 -1.33 0.00 0.00 0.00 176.54 175.69 1bxr h GLY 1047N -0.24 1.15 1.00 4.60 0.00 0.12 -1.01 103.07 108.69 1bxr h GLY 1047Ca -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1bxr h GLY 1047CO 0.00 0.40 0.59 0.74 0.00 0.00 0.00 176.54 178.27 1bxr h PHE 1048N 1.08 1.11 -0.36 5.60 0.04 -0.06 0.13 116.94 124.48 1bxr h PHE 1048Ca 0.30 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 61.05 1bxr h PHE 1048Cb -0.10 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.66 1bxr h PHE 1048CO -0.02 0.69 0.04 0.00 -0.60 0.00 0.00 178.31 178.42 1bxr h ALA 1049N 1.33 0.48 -0.32 2.45 0.00 -0.79 -1.68 119.26 120.73 1bxr h ALA 1049Ca 0.33 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1bxr h ALA 1049Cb -0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1bxr h ALA 1049CO -0.07 0.21 0.06 1.15 0.00 0.00 0.00 179.25 180.59 1bxr h THR 1050N 0.44 0.84 -0.38 0.00 2.02 -0.73 -1.75 112.91 113.35 1bxr h THR 1050Ca 0.11 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.31 1bxr h THR 1050Cb 0.40 0.66 -0.09 0.00 -1.74 0.00 0.00 68.15 67.38 1bxr h THR 1050CO 0.01 0.03 -0.26 0.00 0.37 0.00 0.00 175.52 175.67 1bxr h ALA 1051N 1.24 -0.04 -0.38 6.16 0.00 -0.41 -1.82 119.26 124.00 1bxr h ALA 1051Ca 0.15 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1bxr h ALA 1051Cb 0.17 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1bxr h ALA 1051CO -0.20 -0.64 0.02 0.52 0.00 0.00 0.00 179.25 178.95 1bxr h MET 1052N -0.20 0.13 -0.72 0.00 2.86 -0.78 0.13 114.93 116.34 1bxr h MET 1052Ca 0.18 -0.01 0.21 0.00 -2.06 0.00 0.00 59.70 58.02 1bxr h MET 1052Cb 0.49 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1bxr h MET 1052CO -0.50 0.08 0.66 0.00 1.06 0.00 0.00 176.91 178.21 1bxr h ALA 1053N 1.32 2.54 -0.04 6.32 0.00 -0.49 0.22 119.26 129.14 1bxr h ALA 1053Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1bxr h ALA 1053Cb 0.25 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bxr h ALA 1053CO -0.29 -1.03 0.03 -0.07 0.00 0.00 0.00 179.25 177.89 1bxr h LEU 1054N 0.00 0.00 -2.46 0.00 3.38 -0.32 -1.24 115.31 114.67 1bxr h LEU 1054Ca 0.34 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 1bxr h LEU 1054Cb 1.65 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.34 1bxr h LEU 1054CO -0.00 0.00 0.13 0.59 0.09 0.00 0.00 178.44 179.25 1bxr n ASN 1055N -4.20 3.18 -4.10 -0.43 5.03 0.78 -4.91 115.26 110.61 1bxr n ASN 1055Ca -0.02 -2.54 -0.09 0.00 0.87 0.00 0.00 54.58 52.80 1bxr n ASN 1055Cb 0.13 -0.61 -0.10 0.00 -1.02 0.00 0.00 39.78 38.18 1bxr n ASN 1055CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bxr s ALA 1056N -1.61 0.63 -0.33 5.41 0.00 -0.47 -4.97 121.76 120.42 1bxr s ALA 1056Ca 0.24 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1bxr s ALA 1056Cb 0.19 0.63 0.10 0.00 0.00 0.00 0.00 23.12 24.04 1bxr s ALA 1056CO 0.06 -0.45 0.05 0.34 0.00 0.00 0.00 175.76 175.75 1bxr s ASP 1057N -2.99 4.68 0.60 0.00 2.15 -1.26 -4.98 116.67 114.87 1bxr s ASP 1057Ca 0.16 -2.08 0.34 0.00 0.43 0.00 0.00 52.55 51.41 1bxr s ASP 1057Cb 0.07 -1.54 1.90 0.00 -0.30 0.00 0.00 42.92 43.05 1bxr s ASP 1057CO -0.03 -0.38 2.24 0.00 -0.17 0.00 0.00 175.17 176.83 1bxr h ALA 1058N 7.67 1.29 -0.01 3.66 0.00 -1.89 -1.64 119.26 128.34 1bxr h ALA 1058Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bxr h ALA 1058Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bxr h ALA 1058CO 0.51 0.03 -0.37 0.25 0.00 0.00 0.00 179.25 179.67 1bxr n THR 1059N -3.54 0.00 0.25 0.00 -2.24 -1.26 -4.56 114.28 102.93 1bxr n THR 1059Ca -0.03 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1bxr n THR 1059Cb 0.12 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 1bxr n THR 1059CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1bxr h GLU 1060N 1.30 -0.72 -4.97 -0.78 4.81 -1.72 -3.45 114.58 109.05 1bxr h GLU 1060Ca 0.00 0.05 -0.42 0.00 -0.13 0.00 0.00 59.36 58.85 1bxr h GLU 1060Cb 0.56 0.16 -0.28 0.00 0.63 0.00 0.00 28.75 29.82 1bxr h GLU 1060CO 0.00 -0.48 -0.79 0.21 -0.73 0.00 0.00 179.01 177.22 1bxr s LYS 1061N -4.86 0.88 0.12 1.92 2.20 -1.26 -5.13 119.74 113.61 1bxr s LYS 1061Ca -0.12 -0.45 0.10 0.00 -0.36 0.00 0.00 55.97 55.14 1bxr s LYS 1061Cb 0.02 -0.85 -0.04 0.00 -1.51 0.00 0.00 37.83 35.45 1bxr s LYS 1061CO 0.38 0.23 -0.24 0.14 -0.36 0.00 0.00 175.35 175.50 1bxr s VAL 1062N -0.37 2.46 -0.10 4.02 -7.23 -1.26 -5.03 120.40 112.89 1bxr s VAL 1062Ca 0.03 -1.67 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 1bxr s VAL 1062Cb -0.05 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.83 1bxr s VAL 1062CO -0.00 0.10 0.24 -0.51 -0.31 0.00 0.00 175.10 174.62 1bxr s ILE 1063N -1.09 -0.03 0.79 -0.62 2.07 -1.26 -5.12 121.20 115.95 1bxr s ILE 1063Ca 0.15 0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 59.38 1bxr s ILE 1063Cb -0.10 -0.36 0.07 0.00 0.13 0.00 0.00 42.46 42.19 1bxr s ILE 1063CO 0.07 0.04 1.09 -0.94 -1.91 0.00 0.00 174.94 173.29 1bxr s SER 1064N 0.85 4.40 0.31 4.50 1.04 -1.26 -4.54 113.70 118.99 1bxr s SER 1064Ca -0.06 1.64 0.13 0.00 0.48 0.00 0.00 55.95 58.14 1bxr s SER 1064Cb -0.07 -2.37 0.47 0.00 0.10 0.00 0.00 66.02 64.15 1bxr s SER 1064CO -0.05 -2.07 1.66 0.58 0.98 0.00 0.00 173.24 174.34 1bxr h VAL 1065N -1.16 1.30 -0.47 5.02 2.07 -1.31 0.71 116.25 122.42 1bxr h VAL 1065Ca -0.45 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.14 1bxr h VAL 1065Cb 1.24 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1bxr h VAL 1065CO 0.54 0.53 0.15 1.56 0.02 0.00 0.00 177.57 180.36 1bxr h GLN 1066N 0.00 0.73 -0.27 1.57 7.50 -1.92 0.10 115.11 122.81 1bxr h GLN 1066Ca -0.01 -0.16 -0.16 0.00 0.50 0.00 0.00 58.65 58.83 1bxr h GLN 1066Cb 1.00 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.42 1bxr h GLN 1066CO 0.07 0.69 -0.48 0.93 -1.50 0.00 0.00 178.83 178.54 1bxr h GLU 1067N 0.62 0.74 -0.32 1.46 5.08 -1.82 -0.85 114.58 119.49 1bxr h GLU 1067Ca 0.15 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1bxr h GLU 1067Cb 0.27 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1bxr h GLU 1067CO -0.01 1.05 0.16 0.52 -1.00 0.00 0.00 179.01 179.74 1bxr h MET 1068N 0.59 0.45 -0.17 2.33 2.86 -0.57 -2.51 114.93 117.90 1bxr h MET 1068Ca 0.03 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1bxr h MET 1068Cb 1.05 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1bxr h MET 1068CO 0.10 0.40 -0.02 0.45 1.06 0.00 0.00 176.91 178.90 1bxr h HIS 1069N 0.38 0.26 0.00 -0.22 3.86 -0.79 -1.62 115.15 117.02 1bxr h HIS 1069Ca 0.11 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1bxr h HIS 1069Cb 0.09 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1bxr h HIS 1069CO -0.02 0.29 -0.33 0.00 0.86 0.00 0.00 177.93 178.73 1bxr h ALA 1070N 1.73 1.09 0.00 2.45 0.00 -0.87 -2.15 119.26 121.51 1bxr h ALA 1070Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bxr h ALA 1070Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bxr h ALA 1070CO 0.01 0.41 0.00 1.04 0.00 0.00 0.00 179.25 180.71 1bxr n GLN 1071N -3.62 0.55 -3.18 0.00 6.02 -0.61 -4.67 117.38 111.86 1bxr n GLN 1071Ca -0.01 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 1bxr n GLN 1071Cb 0.45 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 1bxr n GLN 1071CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bxr s ILE 1072N -2.28 5.10 -2.66 5.09 1.01 -0.81 -4.79 121.20 121.86 1bxr s ILE 1072Ca 0.29 1.14 0.21 0.00 0.00 0.00 0.00 60.65 62.30 1bxr s ILE 1072Cb 0.16 -3.91 0.17 0.00 0.01 0.00 0.00 42.46 38.89 1bxr s ILE 1072CO 0.32 0.23 1.17 0.29 0.00 0.00 0.00 174.94 176.95