#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m62 n PRO -4 N 0.00 0.39 0.14 4.33 -0.04 -1.26 -3.84 135.00 134.71 3m62 n PRO -4 Ca 0.00 -0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.24 3m62 n PRO -4 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.04 3m62 n PRO -4 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3m62 h GLU -3 N 0.57 0.00 0.00 0.54 4.57 -2.01 -3.35 114.58 114.90 3m62 h GLU -3 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3m62 h GLU -3 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3m62 h GLU -3 CO 0.00 0.57 0.00 1.19 -1.18 0.00 0.00 179.01 179.59 3m62 n PHE -2 N -3.33 -0.24 0.00 0.92 3.01 -1.25 -3.10 117.46 113.46 3m62 n PHE -2 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 3m62 n PHE -2 Cb 0.72 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 3m62 n PHE -2 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3m62 n ARG -1 N 0.00 0.00 0.26 -1.08 1.74 -1.26 -2.93 116.66 113.39 3m62 n ARG -1 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3m62 n ARG -1 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3m62 n ARG -1 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3m62 h SER 0 N 0.00 -0.55 -0.96 0.55 0.87 -1.74 0.51 113.55 112.22 3m62 h SER 0 Ca 0.00 0.02 0.26 0.00 -1.23 0.00 0.00 61.79 60.84 3m62 h SER 0 Cb 0.00 0.14 -0.18 0.00 -0.44 0.00 0.00 62.40 61.93 3m62 h SER 0 CO 0.00 -0.37 0.05 -0.03 -0.53 0.00 0.00 176.83 175.95 3m62 h MET 1 N -0.71 0.03 0.00 2.24 1.85 -1.46 0.18 114.93 117.05 3m62 h MET 1 Ca -0.07 -0.00 -0.21 0.00 -0.61 0.00 0.00 59.70 58.81 3m62 h MET 1 Cb 0.50 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.50 3m62 h MET 1 CO 0.11 0.02 -1.02 1.79 -0.40 0.00 0.00 176.91 177.41 3m62 h THR 2 N 0.03 1.56 -0.77 -0.77 1.35 -1.78 -2.20 112.91 110.32 3m62 h THR 2 Ca 0.59 -3.25 -0.05 0.00 -0.55 0.00 0.00 66.41 63.15 3m62 h THR 2 Cb 1.20 2.77 -0.03 0.00 -1.73 0.00 0.00 68.15 70.36 3m62 h THR 2 CO -0.88 0.89 0.28 0.00 -0.25 0.00 0.00 175.52 175.55 3m62 h ALA 3 N 1.05 1.01 -0.93 6.62 0.00 0.11 -1.65 119.26 125.47 3m62 h ALA 3 Ca -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3m62 h ALA 3 Cb 1.76 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 3m62 h ALA 3 CO 0.12 0.66 0.58 0.82 0.00 0.00 0.00 179.25 181.43 3m62 h ILE 4 N 1.13 1.25 -0.38 0.00 2.04 -0.94 -2.03 117.51 118.58 3m62 h ILE 4 Ca 0.25 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3m62 h ILE 4 Cb 0.26 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3m62 h ILE 4 CO -0.02 0.25 0.14 -0.33 0.00 0.00 0.00 178.15 178.20 3m62 h GLU 5 N 1.27 0.57 0.00 2.37 5.08 -0.96 -1.63 114.58 121.28 3m62 h GLU 5 Ca 0.34 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.50 3m62 h GLU 5 Cb -0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3m62 h GLU 5 CO -0.07 0.55 -0.42 -0.44 -1.00 0.00 0.00 179.01 177.64 3m62 h ASP 6 N 0.46 0.00 0.28 1.42 3.32 -1.19 0.19 116.42 120.91 3m62 h ASP 6 Ca 0.12 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.84 3m62 h ASP 6 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3m62 h ASP 6 CO -0.01 0.42 -1.87 0.40 -1.72 0.00 0.00 179.24 176.46 3m62 h ILE 7 N 0.00 0.73 -0.01 0.35 2.04 -1.27 -3.32 117.51 116.02 3m62 h ILE 7 Ca -0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 3m62 h ILE 7 Cb 1.04 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 3m62 h ILE 7 CO 0.05 0.74 -0.40 0.18 0.00 0.00 0.00 178.15 178.73 3m62 n LEU 8 N -3.32 1.66 -3.48 1.44 4.77 -0.62 -4.53 117.00 112.92 3m62 n LEU 8 Ca -0.25 -0.57 -0.15 0.00 -0.03 0.00 0.00 56.01 55.00 3m62 n LEU 8 Cb 1.05 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 42.10 3m62 n LEU 8 CO 0.44 0.31 0.02 0.00 -1.33 0.00 0.00 177.39 176.83 3m62 n GLN 9 N -0.26 -1.41 -3.71 3.23 6.02 0.62 -4.94 117.38 116.95 3m62 n GLN 9 Ca 0.10 1.02 -0.14 0.00 -0.01 0.00 0.00 57.00 57.98 3m62 n GLN 9 Cb 0.42 -3.94 -0.08 0.00 1.02 0.00 0.00 30.24 27.66 3m62 n GLN 9 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3m62 s ILE 10 N -3.05 0.03 0.36 5.09 2.07 -0.85 -2.62 121.20 122.22 3m62 s ILE 10 Ca 0.06 -0.24 -0.02 0.00 -1.41 0.00 0.00 60.65 59.04 3m62 s ILE 10 Cb -0.02 -0.68 0.01 0.00 0.13 0.00 0.00 42.46 41.89 3m62 s ILE 10 CO 0.83 -0.13 0.50 0.41 -1.91 0.00 0.00 174.94 174.64 3m62 n THR 11 N 1.71 0.00 0.00 4.00 -1.04 -1.09 -4.47 114.28 113.38 3m62 n THR 11 Ca -0.18 -1.81 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 3m62 n THR 11 Cb 0.56 1.12 0.00 0.00 -1.82 0.00 0.00 70.33 70.19 3m62 n THR 11 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3m62 n THR 12 N -0.59 0.00 -0.06 12.58 -1.04 -1.26 -0.31 114.28 123.60 3m62 n THR 12 Ca 0.01 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.98 3m62 n THR 12 Cb 0.60 -0.55 -0.16 0.00 -1.82 0.00 0.00 70.33 68.41 3m62 n THR 12 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3m62 n ASP 13 N -2.34 0.10 -0.18 8.00 9.92 -1.26 -4.56 116.55 126.23 3m62 n ASP 13 Ca 0.00 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 3m62 n ASP 13 Cb 0.34 1.15 0.00 0.00 -0.64 0.00 0.00 41.12 41.97 3m62 n ASP 13 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 3m62 n PRO 14 N -2.65 0.00 -0.89 -0.24 -0.04 -1.26 -4.98 135.00 124.94 3m62 n PRO 14 Ca -0.23 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.12 3m62 n PRO 14 Cb 0.98 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 34.29 3m62 n PRO 14 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3m62 n SER 15 N 0.00 4.75 -3.64 3.54 7.64 -1.26 -4.65 113.62 120.00 3m62 n SER 15 Ca 0.00 -2.38 -0.08 0.00 1.01 0.00 0.00 58.87 57.42 3m62 n SER 15 Cb 0.22 -1.27 -0.07 0.00 -1.01 0.00 0.00 64.21 62.08 3m62 n SER 15 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3m62 s ASP 16 N 2.09 -0.90 0.00 6.43 1.47 -1.26 -5.10 116.67 119.40 3m62 s ASP 16 Ca 0.58 1.47 0.00 0.00 1.18 0.00 0.00 52.55 55.78 3m62 s ASP 16 Cb 0.28 1.39 0.00 0.00 -0.34 0.00 0.00 42.92 44.25 3m62 s ASP 16 CO 0.00 -0.24 0.00 0.41 0.68 0.00 0.00 175.17 176.02 3m62 n THR 17 N 4.04 0.00 -4.39 2.11 -1.04 -1.26 -5.05 114.28 108.69 3m62 n THR 17 Ca -0.19 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.56 3m62 n THR 17 Cb 0.58 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.97 3m62 n THR 17 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3m62 s ARG 18 N 0.00 1.42 0.00 -2.82 6.06 -1.26 -5.03 118.95 117.32 3m62 s ARG 18 Ca 0.00 -1.45 0.00 0.00 -2.50 0.00 0.00 55.73 51.78 3m62 s ARG 18 Cb 0.00 -1.71 0.00 0.00 0.06 0.00 0.00 34.95 33.30 3m62 s ARG 18 CO 0.00 0.37 0.00 0.41 -2.50 0.00 0.00 175.30 173.58 3m62 n GLY 19 N 0.43 0.00 0.00 8.12 0.00 -1.26 -4.78 105.19 107.70 3m62 n GLY 19 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3m62 n GLY 19 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m62 n TYR 20 N -2.89 0.00 -2.90 1.61 4.02 -1.26 -4.84 117.16 110.90 3m62 n TYR 20 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 3m62 n TYR 20 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 3m62 n TYR 20 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3m62 s SER 21 N 0.00 7.10 0.20 7.72 1.04 -1.08 -4.82 113.70 123.87 3m62 s SER 21 Ca 0.00 1.33 -0.32 0.00 0.48 0.00 0.00 55.95 57.44 3m62 s SER 21 Cb 0.00 -2.47 -0.11 0.00 0.10 0.00 0.00 66.02 63.53 3m62 s SER 21 CO 0.00 -0.23 1.68 -0.76 0.98 0.00 0.00 173.24 174.91 3m62 s LEU 22 N 1.21 4.37 -0.25 2.42 1.02 -1.26 -2.69 118.68 123.50 3m62 s LEU 22 Ca 0.42 2.82 -0.29 0.00 0.02 0.00 0.00 54.13 57.10 3m62 s LEU 22 Cb -0.18 -3.60 -0.00 0.00 0.02 0.00 0.00 46.19 42.42 3m62 s LEU 22 CO 0.20 -0.94 1.29 -0.22 0.02 0.00 0.00 176.35 176.70 3m62 s LEU 23 N 1.06 3.98 -0.15 1.79 0.20 0.58 -4.94 118.68 121.20 3m62 s LEU 23 Ca 0.73 1.37 -0.03 0.00 0.69 0.00 0.00 54.13 56.90 3m62 s LEU 23 Cb -0.48 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 41.71 3m62 s LEU 23 CO 0.33 -0.97 -0.06 -0.54 -0.29 0.00 0.00 176.35 174.82 3m62 s LYS 24 N 3.94 3.57 0.00 1.98 -0.14 -1.26 -4.75 119.74 123.07 3m62 s LYS 24 Ca 0.56 -0.56 0.00 0.00 -1.36 0.00 0.00 55.97 54.61 3m62 s LYS 24 Cb -0.18 -2.84 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 3m62 s LYS 24 CO 0.20 0.26 0.13 -1.13 -0.76 0.00 0.00 175.35 174.04 3m62 n SER 25 N 3.46 0.00 -4.69 2.83 3.41 -1.26 -5.04 113.62 112.33 3m62 n SER 25 Ca -0.18 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.02 3m62 n SER 25 Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 3m62 n SER 25 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3m62 n GLU 26 N 0.00 1.84 -0.05 4.33 0.00 -1.26 -4.91 120.64 120.60 3m62 n GLU 26 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 57.16 57.77 3m62 n GLU 26 Cb 0.33 -2.32 0.16 0.00 0.00 0.00 0.00 31.44 29.62 3m62 n GLU 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3m62 h GLU 27 N 2.03 0.65 -0.95 5.31 5.08 -1.99 -3.04 114.58 121.68 3m62 h GLU 27 Ca -0.47 -0.23 0.08 0.00 -1.00 0.00 0.00 59.36 57.75 3m62 h GLU 27 Cb 1.30 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 3m62 h GLU 27 CO 0.60 0.79 0.61 0.28 -1.00 0.00 0.00 179.01 180.28 3m62 h VAL 28 N 0.59 1.02 -2.66 3.13 2.07 -2.04 -1.13 116.25 117.23 3m62 h VAL 28 Ca 0.10 -0.35 -0.79 0.00 0.82 0.00 0.00 66.70 66.47 3m62 h VAL 28 Cb 0.61 -0.09 -0.29 0.00 -1.52 0.00 0.00 31.29 30.00 3m62 h VAL 28 CO 0.04 0.19 0.75 -2.65 0.02 0.00 0.00 177.57 175.92 3m62 n PRO 29 N -4.53 4.63 0.00 1.57 -0.02 -1.15 -4.37 135.00 131.13 3m62 n PRO 29 Ca 0.16 -4.61 0.00 0.00 -2.02 0.00 0.00 63.50 57.03 3m62 n PRO 29 Cb 0.26 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3m62 n PRO 29 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3m62 n GLN 30 N 0.84 3.02 -2.26 -0.52 6.02 -0.43 -4.71 117.38 119.34 3m62 n GLN 30 Ca 0.32 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.73 3m62 n GLN 30 Cb 0.32 -0.61 -0.02 0.00 1.02 0.00 0.00 30.24 30.94 3m62 n GLN 30 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3m62 s GLY 31 N -0.48 0.91 -1.36 1.08 0.00 -1.26 -4.91 107.32 101.30 3m62 s GLY 31 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 44.72 44.39 3m62 s GLY 31 CO 0.00 2.93 2.61 1.44 0.00 0.00 0.00 173.10 180.09 3m62 n SER 32 N 9.63 7.04 0.00 1.64 7.64 -1.26 -4.46 113.62 133.86 3m62 n SER 32 Ca 0.17 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.54 3m62 n SER 32 Cb 0.48 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3m62 n SER 32 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3m62 n THR 33 N 3.95 0.00 0.00 0.44 -1.04 -1.26 -5.18 114.28 111.19 3m62 n THR 33 Ca 0.65 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.66 3m62 n THR 33 Cb 0.21 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 3m62 n THR 33 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3m62 n LEU 34 N 0.00 0.00 0.00 -4.42 4.77 -1.26 -5.02 117.00 111.06 3m62 n LEU 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3m62 n LEU 34 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3m62 n LEU 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3m62 n GLY 35 N 0.00 -2.01 0.34 -0.72 0.00 -1.26 -4.69 105.19 96.85 3m62 n GLY 35 Ca 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 3m62 n GLY 35 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3m62 h VAL 36 N 0.00 1.21 -0.58 1.61 2.07 -1.96 -2.70 116.25 115.90 3m62 h VAL 36 Ca 0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3m62 h VAL 36 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3m62 h VAL 36 CO 0.00 0.23 0.00 -0.90 0.02 0.00 0.00 177.57 176.92 3m62 n ASP 37 N -4.38 3.44 -0.23 0.57 5.68 -1.26 -3.48 116.55 116.90 3m62 n ASP 37 Ca 0.08 -1.99 0.12 0.00 -0.50 0.00 0.00 54.79 52.50 3m62 n ASP 37 Cb 0.08 -0.39 0.20 0.00 -1.14 0.00 0.00 41.12 39.87 3m62 n ASP 37 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3m62 n PHE 38 N 1.40 0.00 -0.14 2.11 3.01 -1.02 -4.52 117.46 118.31 3m62 n PHE 38 Ca 0.21 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.61 3m62 n PHE 38 Cb 0.56 -0.10 0.11 0.00 -0.01 0.00 0.00 39.48 40.04 3m62 n PHE 38 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3m62 h ILE 39 N 1.12 1.25 0.27 4.37 2.04 -1.69 -1.19 117.51 123.68 3m62 h ILE 39 Ca 0.00 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3m62 h ILE 39 Cb 0.56 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3m62 h ILE 39 CO 0.00 0.38 -0.13 -0.78 0.00 0.00 0.00 178.15 177.62 3m62 h ASP 40 N 0.81 -0.31 -0.19 1.72 -0.00 -1.85 -1.96 116.42 114.65 3m62 h ASP 40 Ca 0.15 -0.03 0.05 0.00 -0.00 0.00 0.00 57.03 57.20 3m62 h ASP 40 Cb 0.50 0.08 -0.07 0.00 -0.00 0.00 0.00 39.33 39.84 3m62 h ASP 40 CO 0.02 -0.17 -0.42 0.74 -0.00 0.00 0.00 179.24 179.42 3m62 h THR 41 N -0.42 0.14 -0.63 2.25 2.02 -1.75 0.13 112.91 114.65 3m62 h THR 41 Ca -0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.27 3m62 h THR 41 Cb 0.32 0.14 -0.12 0.00 -1.74 0.00 0.00 68.15 66.76 3m62 h THR 41 CO 0.06 0.00 -0.09 -0.07 0.37 0.00 0.00 175.52 175.79 3m62 h LEU 42 N -0.45 -0.46 -0.48 2.58 3.38 -1.21 0.47 115.31 119.13 3m62 h LEU 42 Ca 0.09 0.18 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 3m62 h LEU 42 Cb 0.61 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3m62 h LEU 42 CO -0.43 -0.18 -0.60 -0.07 0.09 0.00 0.00 178.44 177.26 3m62 h LEU 43 N 0.04 0.60 -0.40 1.67 3.38 -0.73 -1.70 115.31 118.18 3m62 h LEU 43 Ca 0.32 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m62 h LEU 43 Cb 0.51 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3m62 h LEU 43 CO -0.61 1.06 0.25 -0.07 0.09 0.00 0.00 178.44 179.15 3m62 h LEU 44 N 0.40 0.48 -0.03 1.67 3.38 -0.10 -2.12 115.31 118.99 3m62 h LEU 44 Ca -0.00 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3m62 h LEU 44 Cb 1.15 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3m62 h LEU 44 CO 0.11 0.38 -0.41 0.22 0.09 0.00 0.00 178.44 178.83 3m62 h TYR 45 N 0.53 -1.21 -0.92 1.13 3.20 -0.71 0.20 116.97 119.18 3m62 h TYR 45 Ca 0.14 0.04 0.26 0.00 3.14 0.00 0.00 58.73 62.32 3m62 h TYR 45 Cb -0.01 0.53 -0.15 0.00 1.54 0.00 0.00 36.73 38.64 3m62 h TYR 45 CO -0.04 -0.43 0.22 1.96 -1.64 0.00 0.00 178.16 178.23 3m62 h GLN 46 N -0.49 0.14 0.01 1.82 1.08 -1.18 -0.63 115.11 115.85 3m62 h GLN 46 Ca 0.01 -0.01 -0.34 0.00 -1.45 0.00 0.00 58.65 56.87 3m62 h GLN 46 Cb 0.54 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.88 3m62 h GLN 46 CO -0.29 0.09 -2.09 1.28 -0.95 0.00 0.00 178.83 176.87 3m62 n LEU 47 N -5.29 0.62 -0.08 1.46 4.77 -0.81 -4.11 117.00 113.56 3m62 n LEU 47 Ca 0.23 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.29 3m62 n LEU 47 Cb 0.76 0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.99 3m62 n LEU 47 CO 0.03 0.49 -1.03 0.35 -1.33 0.00 0.00 177.39 175.90 3m62 n THR 48 N -2.93 0.97 0.10 -5.08 -2.24 0.02 -2.87 114.28 102.25 3m62 n THR 48 Ca -0.27 -0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 61.04 3m62 n THR 48 Cb 1.10 -0.97 0.10 0.00 -2.10 0.00 0.00 70.33 68.46 3m62 n THR 48 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3m62 h GLU 49 N 0.00 0.12 0.00 -0.78 4.57 -1.15 -3.40 114.58 113.94 3m62 h GLU 49 Ca -0.38 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3m62 h GLU 49 Cb 1.66 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 3m62 h GLU 49 CO -0.04 0.75 0.00 0.09 -1.18 0.00 0.00 179.01 178.64 3m62 n ASN 50 N -3.78 0.00 0.00 1.04 3.02 -1.18 -5.06 115.26 109.30 3m62 n ASN 50 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3m62 n ASN 50 Cb 0.67 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 3m62 n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3m62 n GLU 51 N 1.00 0.00 -3.21 3.52 0.28 -1.26 -4.61 120.64 116.35 3m62 n GLU 51 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 3m62 n GLU 51 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 3m62 n GLU 51 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3m62 n LYS 52 N 0.00 3.77 -2.75 3.44 5.02 -1.26 -4.79 118.16 121.59 3m62 n LYS 52 Ca 0.00 -4.55 -0.43 0.00 -2.02 0.00 0.00 58.31 51.31 3m62 n LYS 52 Cb 0.00 -2.46 -0.01 0.00 -0.02 0.00 0.00 35.03 32.53 3m62 n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3m62 s LEU 53 N -2.30 4.36 0.28 -0.35 0.20 -1.26 -4.85 118.68 114.75 3m62 s LEU 53 Ca 0.32 -2.28 0.23 0.00 0.69 0.00 0.00 54.13 53.10 3m62 s LEU 53 Cb 0.02 -2.49 0.29 0.00 -0.43 0.00 0.00 46.19 43.58 3m62 s LEU 53 CO 0.02 -1.11 1.39 -2.24 -0.29 0.00 0.00 176.35 174.13 3m62 h ASP 54 N 8.26 0.00 -2.21 3.68 -0.00 -1.93 -3.37 116.42 120.84 3m62 h ASP 54 Ca 0.29 -0.04 -0.60 0.00 -0.00 0.00 0.00 57.03 56.68 3m62 h ASP 54 Cb 0.94 0.00 -0.42 0.00 -0.00 0.00 0.00 39.33 39.85 3m62 h ASP 54 CO 1.31 0.02 -0.60 0.29 -0.00 0.00 0.00 179.24 180.27 3m62 n LYS 55 N -2.69 2.50 -0.36 4.15 5.02 -1.26 -4.40 118.16 121.12 3m62 n LYS 55 Ca 0.03 -4.66 0.08 0.00 -2.02 0.00 0.00 58.31 51.74 3m62 n LYS 55 Cb 0.51 -2.25 0.26 0.00 -0.02 0.00 0.00 35.03 33.53 3m62 n LYS 55 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3m62 h PRO 56 N 4.20 0.91 -0.02 1.97 0.13 -1.80 -1.66 132.00 135.73 3m62 h PRO 56 Ca 0.20 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 65.09 3m62 h PRO 56 Cb 0.66 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3m62 h PRO 56 CO 0.83 0.60 -0.81 0.35 -0.23 0.00 0.00 178.00 178.75 3m62 h PHE 57 N 0.94 0.32 -0.16 1.56 3.57 -1.92 -1.90 116.94 119.35 3m62 h PHE 57 Ca 0.51 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 3m62 h PHE 57 Cb 0.58 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3m62 h PHE 57 CO -0.00 0.94 -0.08 1.49 -2.23 0.00 0.00 178.31 178.43 3m62 h GLU 58 N 0.14 0.24 -0.01 1.11 4.81 -1.72 -2.36 114.58 116.78 3m62 h GLU 58 Ca -0.04 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3m62 h GLU 58 Cb 1.41 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3m62 h GLU 58 CO 0.13 0.33 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.78 3m62 h TYR 59 N 0.23 0.05 -0.68 0.92 3.20 -0.91 -2.43 116.97 117.37 3m62 h TYR 59 Ca 0.05 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.03 3m62 h TYR 59 Cb 0.29 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 38.42 3m62 h TYR 59 CO 0.00 0.66 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.92 3m62 h LEU 60 N -0.56 -0.69 -0.72 2.82 3.38 -1.31 0.51 115.31 118.73 3m62 h LEU 60 Ca -0.00 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3m62 h LEU 60 Cb 0.66 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3m62 h LEU 60 CO 0.01 -0.23 0.44 -1.13 0.09 0.00 0.00 178.44 177.62 3m62 h ASN 61 N -0.02 0.86 0.17 -0.43 -1.24 -1.34 0.38 115.58 113.96 3m62 h ASN 61 Ca 0.32 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 57.21 3m62 h ASN 61 Cb 0.51 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 3m62 h ASN 61 CO -0.70 0.66 -0.26 0.44 -1.29 0.00 0.00 177.43 176.28 3m62 h ASP 62 N 0.99 0.14 -0.38 1.15 3.32 -0.85 0.33 116.42 121.11 3m62 h ASP 62 Ca 0.26 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.13 3m62 h ASP 62 Cb -0.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3m62 h ASP 62 CO -0.05 0.41 -0.28 0.00 -1.72 0.00 0.00 179.24 177.59 3m62 h PHE 64 N 0.77 0.18 -0.25 0.00 3.57 -0.31 -0.01 116.94 120.89 3m62 h PHE 64 Ca 0.09 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3m62 h PHE 64 Cb 0.85 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3m62 h PHE 64 CO 0.05 0.49 -0.07 0.00 -2.23 0.00 0.00 178.31 176.56 3m62 h ARG 65 N -0.19 -0.00 -0.37 1.11 -0.00 -0.24 -1.59 114.38 113.10 3m62 h ARG 65 Ca 0.02 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.54 3m62 h ARG 65 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.39 3m62 h ARG 65 CO 0.01 -0.00 0.25 0.00 0.00 0.00 0.00 179.97 180.23 3m62 h ARG 66 N -0.00 0.33 -0.08 0.04 3.08 -0.56 -0.49 114.38 116.70 3m62 h ARG 66 Ca 0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3m62 h ARG 66 Cb 0.19 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3m62 h ARG 66 CO -0.26 0.22 -0.07 -0.97 -1.07 0.00 0.00 179.97 177.82 3m62 h ASN 67 N 0.34 0.21 -0.96 7.04 -1.24 -0.23 -1.90 115.58 118.84 3m62 h ASN 67 Ca 0.16 -0.47 0.05 0.00 0.71 0.00 0.00 56.30 56.74 3m62 h ASN 67 Cb 0.19 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 3m62 h ASN 67 CO -0.03 0.63 0.63 1.56 -1.29 0.00 0.00 177.43 178.93 3m62 h GLN 68 N -0.22 1.14 -0.32 6.67 1.08 -0.69 -1.95 115.11 120.83 3m62 h GLN 68 Ca 0.01 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3m62 h GLN 68 Cb 0.57 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 3m62 h GLN 68 CO 0.02 0.75 0.20 0.37 -0.95 0.00 0.00 178.83 179.22 3m62 h GLN 69 N 1.18 0.39 -0.22 1.46 5.75 -0.90 -2.77 115.11 119.99 3m62 h GLN 69 Ca 0.40 -0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.71 3m62 h GLN 69 Cb 0.08 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 3m62 h GLN 69 CO -0.14 0.26 -0.53 1.96 -2.65 0.00 0.00 178.83 177.73 3m62 h GLN 70 N 0.40 0.66 0.18 1.69 1.08 -0.70 -2.31 115.11 116.11 3m62 h GLN 70 Ca 0.12 -0.41 0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3m62 h GLN 70 Cb -0.02 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3m62 h GLN 70 CO -0.05 1.02 -0.31 0.87 -0.95 0.00 0.00 178.83 179.42 3m62 h LYS 71 N 0.51 -0.55 -0.73 1.46 1.57 -1.23 0.12 116.57 117.71 3m62 h LYS 71 Ca 0.01 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 3m62 h LYS 71 Cb 1.10 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.43 3m62 h LYS 71 CO 0.11 -0.37 0.25 -0.09 -0.57 0.00 0.00 179.45 178.78 3m62 h ARG 72 N -0.57 0.36 0.00 3.15 2.43 -1.41 -0.86 114.38 117.48 3m62 h ARG 72 Ca 0.02 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3m62 h ARG 72 Cb 0.57 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3m62 h ARG 72 CO -0.14 0.24 -0.45 0.82 -1.51 0.00 0.00 179.97 178.92 3m62 h ILE 73 N 0.37 1.13 0.16 1.20 5.03 -0.82 -3.26 117.51 121.32 3m62 h ILE 73 Ca 0.41 -1.66 -0.30 0.00 -0.12 0.00 0.00 64.86 63.19 3m62 h ILE 73 Cb 0.65 1.95 0.01 0.00 -3.03 0.00 0.00 36.82 36.39 3m62 h ILE 73 CO -0.44 0.44 -1.39 0.74 -0.68 0.00 0.00 178.15 176.83 3m62 h THR 74 N 0.00 1.35 -0.79 -0.27 2.02 0.01 -3.36 112.91 111.87 3m62 h THR 74 Ca -0.00 -2.90 0.18 0.00 0.77 0.00 0.00 66.41 64.46 3m62 h THR 74 Cb 0.91 2.92 -0.14 0.00 -1.74 0.00 0.00 68.15 70.10 3m62 h THR 74 CO 0.06 0.86 -0.03 0.50 0.37 0.00 0.00 175.52 177.28 3m62 h LYS 75 N 0.09 0.07 -0.99 6.66 3.64 -1.23 -0.77 116.57 124.05 3m62 h LYS 75 Ca -0.20 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.98 3m62 h LYS 75 Cb 2.03 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 33.72 3m62 h LYS 75 CO 0.21 0.05 0.25 0.09 -2.27 0.00 0.00 179.45 177.78 3m62 n ASN 76 N -5.40 3.28 -4.22 4.20 4.13 -1.26 -4.74 115.26 111.26 3m62 n ASN 76 Ca 0.14 -2.64 -0.15 0.00 1.68 0.00 0.00 54.58 53.62 3m62 n ASN 76 Cb 0.50 -0.63 -0.10 0.00 -1.54 0.00 0.00 39.78 38.00 3m62 n ASN 76 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3m62 s LYS 77 N -1.37 0.97 0.16 3.52 1.02 -0.29 -5.06 119.74 118.69 3m62 s LYS 77 Ca 0.23 -1.31 -0.10 0.00 0.02 0.00 0.00 55.97 54.81 3m62 s LYS 77 Cb 0.19 -0.63 0.20 0.00 -0.52 0.00 0.00 37.83 37.08 3m62 s LYS 77 CO 0.05 0.09 1.02 -2.30 -0.92 0.00 0.00 175.35 173.28 3m62 n PRO 78 N 0.19 -0.13 -2.58 -1.68 -0.02 -1.26 -2.63 135.00 126.89 3m62 n PRO 78 Ca -0.13 1.01 -0.21 0.00 -2.02 0.00 0.00 63.50 62.14 3m62 n PRO 78 Cb 0.59 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.57 3m62 n PRO 78 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3m62 n ASN 79 N -4.99 3.64 -0.31 2.55 2.85 -1.26 -4.83 115.26 112.90 3m62 n ASN 79 Ca 0.08 -3.40 0.16 0.00 -0.11 0.00 0.00 54.58 51.31 3m62 n ASN 79 Cb 0.28 -0.49 0.34 0.00 1.24 0.00 0.00 39.78 41.15 3m62 n ASN 79 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3m62 h ALA 80 N 2.74 1.40 -0.48 5.20 0.00 -1.66 -2.08 119.26 124.37 3m62 h ALA 80 Ca 0.17 0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.41 3m62 h ALA 80 Cb 0.97 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 3m62 h ALA 80 CO 0.74 -0.56 -0.43 1.49 0.00 0.00 0.00 179.25 180.49 3m62 h GLU 81 N 0.14 -0.27 -0.44 0.00 4.81 -1.90 -2.73 114.58 114.18 3m62 h GLU 81 Ca 0.61 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.99 3m62 h GLU 81 Cb 1.32 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 3m62 h GLU 81 CO -0.74 -0.18 0.33 0.66 -0.73 0.00 0.00 179.01 178.36 3m62 h SER 82 N -0.28 0.00 -0.08 1.04 4.64 -1.79 0.29 113.55 117.37 3m62 h SER 82 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3m62 h SER 82 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3m62 h SER 82 CO -0.62 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.52 3m62 n LEU 83 N -4.31 1.91 -0.14 5.97 4.32 -1.04 -4.47 117.00 119.25 3m62 n LEU 83 Ca 0.08 -0.69 -0.09 0.00 -0.02 0.00 0.00 56.01 55.29 3m62 n LEU 83 Cb 0.53 -0.04 -0.01 0.00 -1.62 0.00 0.00 43.42 42.29 3m62 n LEU 83 CO 0.35 0.34 0.93 -0.74 -1.22 0.00 0.00 177.39 177.06 3m62 h HIS 84 N 2.85 0.61 -0.98 -1.77 2.76 -0.40 -2.57 115.15 115.65 3m62 h HIS 84 Ca 0.00 -0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.23 3m62 h HIS 84 Cb 0.61 -0.18 -0.08 0.00 1.55 0.00 0.00 27.41 29.31 3m62 h HIS 84 CO 0.04 0.53 0.62 1.03 -1.30 0.00 0.00 177.93 178.86 3m62 h SER 85 N 0.51 0.91 0.98 3.26 0.87 -1.78 -1.96 113.55 116.35 3m62 h SER 85 Ca 0.14 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3m62 h SER 85 Cb 0.18 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3m62 h SER 85 CO -0.01 0.51 -0.47 0.74 -0.53 0.00 0.00 176.83 177.07 3m62 h THR 86 N 0.99 0.00 -0.88 2.23 2.02 -1.76 -2.77 112.91 112.75 3m62 h THR 86 Ca 0.47 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.75 3m62 h THR 86 Cb 0.42 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.75 3m62 h THR 86 CO -0.22 0.00 0.50 -0.26 0.37 0.00 0.00 175.52 175.91 3m62 h PHE 87 N -1.34 0.90 0.08 3.16 0.04 -1.35 -2.27 116.94 116.16 3m62 h PHE 87 Ca -0.13 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.68 3m62 h PHE 87 Cb 1.01 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.87 3m62 h PHE 87 CO 0.00 0.30 -0.17 1.96 -0.60 0.00 0.00 178.31 179.80 3m62 h GLN 88 N 0.77 -0.31 -0.92 1.51 1.08 -1.37 -0.69 115.11 115.17 3m62 h GLN 88 Ca 0.46 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.78 3m62 h GLN 88 Cb 0.54 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.97 3m62 h GLN 88 CO -0.31 -0.21 0.59 1.49 -0.95 0.00 0.00 178.83 179.45 3m62 h GLU 89 N -0.33 0.88 -0.22 1.46 4.57 -1.17 0.43 114.58 120.20 3m62 h GLU 89 Ca 0.03 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 3m62 h GLU 89 Cb 0.35 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3m62 h GLU 89 CO -0.11 0.58 -0.10 0.82 -1.18 0.00 0.00 179.01 179.02 3m62 h ILE 90 N 0.90 1.30 0.09 2.32 2.04 -1.07 -2.02 117.51 121.08 3m62 h ILE 90 Ca 0.44 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3m62 h ILE 90 Cb 0.45 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3m62 h ILE 90 CO -0.20 0.36 -0.10 0.44 0.00 0.00 0.00 178.15 178.65 3m62 h ASP 91 N 0.17 -0.27 -0.66 1.72 3.32 -0.40 0.11 116.42 120.40 3m62 h ASP 91 Ca 0.05 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.21 3m62 h ASP 91 Cb 0.60 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.13 3m62 h ASP 91 CO 0.03 -0.16 -0.48 -0.09 -1.72 0.00 0.00 179.24 176.82 3m62 h ARG 92 N -0.22 -0.19 0.07 3.56 2.43 -0.18 -2.85 114.38 116.99 3m62 h ARG 92 Ca 0.01 0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 58.89 3m62 h ARG 92 Cb 0.22 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3m62 h ARG 92 CO -0.03 -0.13 -1.60 -0.07 -1.51 0.00 0.00 179.97 176.63 3m62 h LEU 93 N -0.20 0.23 -0.37 3.80 3.38 -1.13 -1.77 115.31 119.24 3m62 h LEU 93 Ca 0.17 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3m62 h LEU 93 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3m62 h LEU 93 CO -0.75 1.32 0.20 0.58 0.09 0.00 0.00 178.44 179.88 3m62 h VAL 94 N 0.04 1.15 -0.01 1.22 2.07 -0.85 0.11 116.25 119.99 3m62 h VAL 94 Ca -0.26 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3m62 h VAL 94 Cb 1.99 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3m62 h VAL 94 CO 0.12 0.16 0.00 0.40 0.02 0.00 0.00 177.57 178.27 3m62 h ILE 95 N 0.47 1.06 -0.17 4.57 2.04 -1.59 -0.22 117.51 123.66 3m62 h ILE 95 Ca 0.13 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3m62 h ILE 95 Cb 0.08 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3m62 h ILE 95 CO -0.02 0.04 -0.17 1.23 0.00 0.00 0.00 178.15 179.23 3m62 h GLY 96 N -0.06 -0.09 2.00 5.37 0.00 -1.04 -0.07 103.07 109.18 3m62 h GLY 96 Ca 0.00 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 3m62 h GLY 96 CO -0.00 -0.17 -0.39 -0.97 0.00 0.00 0.00 176.54 175.01 3m62 h TYR 97 N -0.20 0.00 -0.40 5.60 0.05 -1.00 -2.12 116.97 118.90 3m62 h TYR 97 Ca 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 3m62 h TYR 97 Cb 0.36 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 3m62 h TYR 97 CO -0.31 0.39 0.24 0.78 -1.05 0.00 0.00 178.16 178.21 3m62 h GLY 98 N 1.89 0.59 0.55 3.88 0.00 -0.02 0.36 103.07 110.32 3m62 h GLY 98 Ca -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.10 3m62 h GLY 98 CO 0.05 0.24 -0.21 -2.08 0.00 0.00 0.00 176.54 174.55 3m62 h VAL 99 N 0.52 0.52 -0.74 4.60 2.07 -0.66 -2.27 116.25 120.30 3m62 h VAL 99 Ca 0.14 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.80 3m62 h VAL 99 Cb 0.01 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.21 3m62 h VAL 99 CO -0.03 0.00 0.30 0.58 0.02 0.00 0.00 177.57 178.44 3m62 h VAL 100 N -0.35 0.68 -0.15 2.57 2.07 -1.00 -1.37 116.25 118.69 3m62 h VAL 100 Ca 0.05 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3m62 h VAL 100 Cb 0.41 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3m62 h VAL 100 CO -0.17 0.08 -0.12 0.00 0.02 0.00 0.00 177.57 177.38 3m62 h ALA 101 N 1.53 1.51 -0.80 1.67 0.00 -0.09 -1.83 119.26 121.25 3m62 h ALA 101 Ca 0.40 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.77 3m62 h ALA 101 Cb 0.59 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.09 3m62 h ALA 101 CO -0.39 0.35 0.40 1.28 0.00 0.00 0.00 179.25 180.89 3m62 n LEU 102 N -4.28 6.15 0.00 0.00 4.77 -0.60 -4.37 117.00 118.67 3m62 n LEU 102 Ca -0.01 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 3m62 n LEU 102 Cb 0.26 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3m62 n LEU 102 CO 0.38 0.95 -0.24 0.00 -1.33 0.00 0.00 177.39 177.15 3m62 n GLN 103 N -0.67 0.00 -4.53 3.23 6.02 -0.69 -4.43 117.38 116.30 3m62 n GLN 103 Ca 0.48 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 57.24 3m62 n GLN 103 Cb 1.47 -0.73 -0.16 0.00 1.02 0.00 0.00 30.24 31.84 3m62 n GLN 103 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3m62 s ILE 104 N -1.48 1.01 0.20 5.09 1.10 -0.76 -4.91 121.20 121.47 3m62 s ILE 104 Ca 0.00 -0.46 -0.10 0.00 -0.51 0.00 0.00 60.65 59.58 3m62 s ILE 104 Cb 0.00 -0.91 0.13 0.00 0.15 0.00 0.00 42.46 41.83 3m62 s ILE 104 CO 0.00 0.31 1.79 -0.08 -2.11 0.00 0.00 174.94 174.86 3m62 h GLU 105 N 6.59 0.58 -0.64 3.50 4.57 -1.89 -3.05 114.58 124.24 3m62 h GLU 105 Ca -0.33 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3m62 h GLU 105 Cb 1.17 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3m62 h GLU 105 CO 0.48 0.38 0.00 0.09 -1.18 0.00 0.00 179.01 178.78 3m62 n ASN 106 N -4.84 4.89 0.47 1.04 4.13 -1.26 -4.66 115.26 115.02 3m62 n ASN 106 Ca 0.08 -2.56 -0.19 0.00 1.68 0.00 0.00 54.58 53.58 3m62 n ASN 106 Cb 0.18 -0.60 -0.09 0.00 -1.54 0.00 0.00 39.78 37.73 3m62 n ASN 106 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3m62 h PHE 107 N 3.92 -1.16 -4.19 3.10 3.04 -1.89 -3.39 116.94 116.36 3m62 h PHE 107 Ca 0.00 -0.02 -0.50 0.00 3.98 0.00 0.00 57.97 61.43 3m62 h PHE 107 Cb 1.56 0.39 0.08 0.00 2.56 0.00 0.00 35.95 40.54 3m62 h PHE 107 CO 0.84 -0.71 0.38 0.00 -2.02 0.00 0.00 178.31 176.80 3m62 n MET 109 N -2.13 3.45 -5.22 0.00 1.56 -1.14 -4.84 117.12 108.80 3m62 n MET 109 Ca 0.09 -2.79 -0.31 0.00 -0.27 0.00 0.00 57.70 54.42 3m62 n MET 109 Cb 0.53 -1.79 -0.16 0.00 2.15 0.00 0.00 33.22 33.95 3m62 n MET 109 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 3m62 s ASN 110 N -0.98 2.97 0.03 6.12 0.01 -1.26 -5.08 114.94 116.76 3m62 s ASN 110 Ca 0.49 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 3m62 s ASN 110 Cb 0.30 -0.83 0.00 0.00 0.41 0.00 0.00 41.25 41.13 3m62 s ASN 110 CO 0.25 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.69 3m62 n GLY 111 N 2.98 -1.61 1.46 0.66 0.00 -1.26 -4.54 105.19 102.87 3m62 n GLY 111 Ca -0.18 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 3m62 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m62 n ALA 112 N -1.74 -0.07 -0.19 4.61 0.00 -1.26 -4.94 120.51 116.92 3m62 n ALA 112 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3m62 n ALA 112 Cb 0.06 0.59 0.10 0.00 0.00 0.00 0.00 19.45 20.20 3m62 n ALA 112 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3m62 h PHE 113 N 1.45 0.21 -0.54 0.00 0.04 -1.89 -2.19 116.94 114.01 3m62 h PHE 113 Ca -0.12 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.77 3m62 h PHE 113 Cb 0.52 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.60 3m62 h PHE 113 CO 0.00 -0.02 0.17 0.97 -0.60 0.00 0.00 178.31 178.83 3m62 h ILE 114 N 0.27 0.77 -0.40 -0.55 6.09 -1.93 0.24 117.51 121.99 3m62 h ILE 114 Ca 0.30 -0.11 -0.12 0.00 -1.37 0.00 0.00 64.86 63.56 3m62 h ILE 114 Cb 0.44 0.41 -0.01 0.00 0.47 0.00 0.00 36.82 38.13 3m62 h ILE 114 CO -0.38 0.06 -0.23 0.78 -3.07 0.00 0.00 178.15 175.30 3m62 h ASN 115 N 0.33 0.82 -0.61 2.19 2.35 -1.87 -0.90 115.58 117.90 3m62 h ASN 115 Ca 0.27 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 3m62 h ASN 115 Cb 0.33 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3m62 h ASN 115 CO -0.29 1.02 -0.02 1.88 -1.65 0.00 0.00 177.43 178.37 3m62 h TYR 116 N 0.70 1.18 -0.35 1.19 0.05 -0.63 -1.86 116.97 117.24 3m62 h TYR 116 Ca 0.09 -0.21 -0.11 0.00 0.05 0.00 0.00 58.73 58.56 3m62 h TYR 116 Cb 0.76 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3m62 h TYR 116 CO 0.04 1.04 -0.22 0.82 -1.05 0.00 0.00 178.16 178.80 3m62 h ILE 117 N 0.98 1.27 -0.11 -2.88 5.03 -0.46 -2.39 117.51 118.94 3m62 h ILE 117 Ca 0.17 -1.29 0.01 0.00 -0.12 0.00 0.00 64.86 63.63 3m62 h ILE 117 Cb 0.58 1.24 -0.01 0.00 -3.03 0.00 0.00 36.82 35.60 3m62 h ILE 117 CO 0.03 0.43 0.05 0.74 -0.68 0.00 0.00 178.15 178.72 3m62 h THR 118 N 0.59 0.99 -0.69 -0.27 2.02 -0.91 0.87 112.91 115.51 3m62 h THR 118 Ca 0.09 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.31 3m62 h THR 118 Cb 0.69 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3m62 h THR 118 CO 0.05 0.02 0.46 1.23 0.37 0.00 0.00 175.52 177.65 3m62 h GLY 119 N 0.11 0.85 0.39 2.16 0.00 -1.28 -0.84 103.07 104.46 3m62 h GLY 119 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3m62 h GLY 119 CO -0.04 0.18 -0.02 -2.22 0.00 0.00 0.00 176.54 174.44 3m62 h ILE 120 N 0.64 1.50 -0.79 2.60 2.04 -0.73 -3.02 117.51 119.75 3m62 h ILE 120 Ca 0.31 -1.49 0.16 0.00 1.00 0.00 0.00 64.86 64.84 3m62 h ILE 120 Cb 0.37 2.49 -0.10 0.00 -0.74 0.00 0.00 36.82 38.84 3m62 h ILE 120 CO -0.10 0.39 0.32 0.58 0.00 0.00 0.00 178.15 179.34 3m62 h VAL 121 N -0.60 0.61 -0.32 1.67 2.07 -0.72 0.89 116.25 119.86 3m62 h VAL 121 Ca -0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3m62 h VAL 121 Cb 0.65 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3m62 h VAL 121 CO 0.00 0.08 0.16 0.28 0.02 0.00 0.00 177.57 178.11 3m62 h SER 122 N 0.43 0.38 -0.92 0.57 0.02 -1.05 -3.33 113.55 109.65 3m62 h SER 122 Ca 0.45 -0.02 -0.36 0.00 -0.84 0.00 0.00 61.79 61.01 3m62 h SER 122 Cb 0.73 -0.10 -0.26 0.00 0.14 0.00 0.00 62.40 62.91 3m62 h SER 122 CO -0.44 0.32 -0.78 -3.20 -1.14 0.00 0.00 176.83 171.59 3m62 n ASN 123 N -4.44 -1.20 -0.30 3.07 2.85 -0.99 -5.00 115.26 109.26 3m62 n ASN 123 Ca 0.02 -3.21 0.05 0.00 -0.11 0.00 0.00 54.58 51.33 3m62 n ASN 123 Cb 0.10 0.74 0.26 0.00 1.24 0.00 0.00 39.78 42.12 3m62 n ASN 123 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 3m62 h VAL 124 N 2.31 1.03 0.00 3.44 3.04 -0.95 -2.62 116.25 122.51 3m62 h VAL 124 Ca -0.03 -0.34 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 3m62 h VAL 124 Cb 1.00 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.24 3m62 h VAL 124 CO 0.34 0.18 -0.06 0.78 -1.01 0.00 0.00 177.57 177.80 3m62 h ASN 125 N 0.98 0.00 1.54 3.17 4.21 -1.94 -1.14 115.58 122.41 3m62 h ASN 125 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 3m62 h ASN 125 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3m62 h ASN 125 CO -0.16 0.06 -0.01 0.28 -1.29 0.00 0.00 177.43 176.31 3m62 h SER 126 N 0.00 0.00 -0.00 5.81 0.02 -1.85 -3.32 113.55 114.21 3m62 h SER 126 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m62 h SER 126 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3m62 h SER 126 CO 0.01 0.00 -0.15 -1.22 -1.14 0.00 0.00 176.83 174.33 3m62 n TYR 127 N -2.38 0.00 -0.03 3.45 4.01 -0.51 -4.80 117.16 116.90 3m62 n TYR 127 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 3m62 n TYR 127 Cb 0.45 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.40 3m62 n TYR 127 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3m62 h THR 128 N 0.59 1.25 -0.39 -0.72 1.03 -1.45 0.45 112.91 113.68 3m62 h THR 128 Ca 0.00 -0.80 0.02 0.00 -0.01 0.00 0.00 66.41 65.62 3m62 h THR 128 Cb 0.20 1.60 -0.03 0.00 -1.07 0.00 0.00 68.15 68.85 3m62 h THR 128 CO 0.00 0.23 0.21 0.44 -0.01 0.00 0.00 175.52 176.39 3m62 h ASP 129 N -0.11 0.34 -0.22 0.00 3.32 -1.87 0.28 116.42 118.15 3m62 h ASP 129 Ca 0.03 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3m62 h ASP 129 Cb 0.35 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3m62 h ASP 129 CO 0.00 0.24 0.03 0.15 -1.72 0.00 0.00 179.24 177.95 3m62 h PHE 130 N 0.44 0.05 -0.93 4.55 3.57 -1.88 -1.51 116.94 121.23 3m62 h PHE 130 Ca 0.16 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3m62 h PHE 130 Cb 0.03 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3m62 h PHE 130 CO -0.08 0.01 0.58 -0.07 -2.23 0.00 0.00 178.31 176.51 3m62 h LEU 131 N 0.12 1.10 -0.37 0.59 3.38 -0.44 0.12 115.31 119.81 3m62 h LEU 131 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3m62 h LEU 131 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3m62 h LEU 131 CO -0.15 0.83 0.16 -1.28 0.09 0.00 0.00 178.44 178.09 3m62 h SER 132 N 1.27 0.51 -0.74 -0.43 0.87 -0.67 0.27 113.55 114.64 3m62 h SER 132 Ca 0.34 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3m62 h SER 132 Cb -0.09 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 3m62 h SER 132 CO -0.07 0.53 0.49 1.56 -0.53 0.00 0.00 176.83 178.81 3m62 h GLN 133 N 0.46 0.97 -0.25 2.24 1.08 -0.72 -2.13 115.11 116.76 3m62 h GLN 133 Ca 0.13 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 3m62 h GLN 133 Cb 0.17 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3m62 h GLN 133 CO -0.01 0.64 0.08 0.82 -0.95 0.00 0.00 178.83 179.41 3m62 h ILE 134 N 1.00 1.20 -0.49 2.54 2.04 0.25 -1.59 117.51 122.46 3m62 h ILE 134 Ca 0.27 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3m62 h ILE 134 Cb -0.11 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3m62 h ILE 134 CO -0.06 0.20 0.32 0.40 0.00 0.00 0.00 178.15 179.02 3m62 h ILE 135 N 0.24 1.12 -0.41 -0.67 2.04 -0.10 -1.46 117.51 118.27 3m62 h ILE 135 Ca 0.08 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3m62 h ILE 135 Cb 0.24 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3m62 h ILE 135 CO -0.00 0.12 0.06 -0.61 0.00 0.00 0.00 178.15 177.72 3m62 h GLN 136 N 0.66 0.63 -0.20 2.37 4.15 -1.29 -0.58 115.11 120.85 3m62 h GLN 136 Ca 0.18 -0.13 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 3m62 h GLN 136 Cb -0.07 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.53 3m62 h GLN 136 CO -0.04 0.61 -0.48 -0.09 -1.93 0.00 0.00 178.83 176.90 3m62 h ARG 137 N 0.61 0.67 -0.63 1.69 9.65 -0.37 -1.38 114.38 124.62 3m62 h ARG 137 Ca 0.13 -0.46 -0.08 0.00 -1.10 0.00 0.00 59.98 58.47 3m62 h ARG 137 Cb 0.30 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3m62 h ARG 137 CO 0.00 1.08 0.07 0.00 2.80 0.00 0.00 179.97 183.93 3m62 h ALA 138 N 0.59 0.94 -0.36 2.80 0.00 -1.00 -1.57 119.26 120.66 3m62 h ALA 138 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3m62 h ALA 138 Cb 1.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3m62 h ALA 138 CO 0.10 0.65 0.17 0.82 0.00 0.00 0.00 179.25 181.00 3m62 h ILE 139 N 0.98 1.17 0.00 0.00 2.04 -0.99 -0.87 117.51 119.84 3m62 h ILE 139 Ca 0.19 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3m62 h ILE 139 Cb 0.46 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3m62 h ILE 139 CO 0.02 0.18 -0.13 -0.07 0.00 0.00 0.00 178.15 178.14 3m62 h LEU 140 N 0.45 0.00 -1.96 1.44 3.38 -0.99 -1.97 115.31 115.66 3m62 h LEU 140 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3m62 h LEU 140 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3m62 h LEU 140 CO -0.01 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 3m62 n GLU 141 N -3.67 2.32 -2.49 1.13 1.02 -0.61 -4.97 120.64 113.37 3m62 n GLU 141 Ca -0.02 -1.95 -0.06 0.00 -0.02 0.00 0.00 57.16 55.12 3m62 n GLU 141 Cb 0.25 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.21 3m62 n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m62 n GLY 142 N 1.38 0.41 1.05 0.62 0.00 -0.65 -4.94 105.19 103.05 3m62 n GLY 142 Ca 0.16 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.68 3m62 n GLY 142 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3m62 n THR 143 N -3.49 0.66 -0.30 2.61 5.66 -0.42 -4.90 114.28 114.09 3m62 n THR 143 Ca -0.02 -1.48 0.06 0.00 -3.05 0.00 0.00 64.05 59.56 3m62 n THR 143 Cb 0.53 0.55 0.22 0.00 -1.55 0.00 0.00 70.33 70.07 3m62 n THR 143 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3m62 h ALA 144 N 0.79 1.29 -0.39 1.79 0.00 -1.84 -2.83 119.26 118.07 3m62 h ALA 144 Ca -0.13 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3m62 h ALA 144 Cb 1.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3m62 h ALA 144 CO 0.05 -0.02 -0.12 1.25 0.00 0.00 0.00 179.25 180.42 3m62 h LEU 145 N 0.70 0.68 -0.88 0.00 5.85 -1.93 -1.57 115.31 118.16 3m62 h LEU 145 Ca 0.46 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3m62 h LEU 145 Cb 0.58 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.36 3m62 h LEU 145 CO -0.33 0.82 0.52 0.44 -0.34 0.00 0.00 178.44 179.56 3m62 h ASP 146 N 0.63 0.77 0.34 1.25 3.45 -1.90 0.65 116.42 121.61 3m62 h ASP 146 Ca 0.11 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 3m62 h ASP 146 Cb 0.56 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3m62 h ASP 146 CO 0.04 0.44 -0.18 0.25 -1.57 0.00 0.00 179.24 178.22 3m62 h LEU 147 N 0.88 -0.43 -1.29 1.55 5.85 -1.26 -2.92 115.31 117.69 3m62 h LEU 147 Ca 0.42 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3m62 h LEU 147 Cb 0.35 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3m62 h LEU 147 CO -0.24 -0.30 0.43 -0.07 -0.34 0.00 0.00 178.44 177.93 3m62 h LEU 148 N -0.48 0.80 -0.53 2.25 3.38 -0.61 -1.42 115.31 118.69 3m62 h LEU 148 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3m62 h LEU 148 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3m62 h LEU 148 CO 0.06 0.60 0.00 0.78 0.09 0.00 0.00 178.44 179.97 3m62 h ASN 149 N 0.93 0.00 0.31 -0.43 2.35 -0.80 0.19 115.58 118.13 3m62 h ASN 149 Ca 0.25 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.67 3m62 h ASN 149 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3m62 h ASN 149 CO -0.05 0.00 -1.67 0.00 -1.65 0.00 0.00 177.43 174.06 3m62 h ALA 150 N 2.23 0.23 0.00 -0.83 0.00 -1.20 -3.38 119.26 116.30 3m62 h ALA 150 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 3m62 h ALA 150 Cb 0.63 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3m62 h ALA 150 CO 0.00 1.10 -0.09 0.28 0.00 0.00 0.00 179.25 180.54 3m62 h VAL 151 N 0.09 0.79 -0.11 0.00 2.07 -0.89 -3.27 116.25 114.92 3m62 h VAL 151 Ca -0.30 -1.61 -0.20 0.00 0.82 0.00 0.00 66.70 65.40 3m62 h VAL 151 Cb 2.06 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 33.36 3m62 h VAL 151 CO 0.17 0.27 -0.70 -0.26 0.02 0.00 0.00 177.57 177.06 3m62 h PHE 152 N -1.00 0.92 -0.37 1.57 0.04 -1.22 -0.09 116.94 116.80 3m62 h PHE 152 Ca -0.02 -0.42 -0.04 0.00 2.80 0.00 0.00 57.97 60.29 3m62 h PHE 152 Cb 0.50 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3m62 h PHE 152 CO 0.11 1.24 0.04 -1.35 -0.60 0.00 0.00 178.31 177.75 3m62 h PRO 153 N 0.35 0.55 -0.37 1.51 0.11 -1.75 -1.71 132.00 130.70 3m62 h PRO 153 Ca -0.06 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 65.89 3m62 h PRO 153 Cb 1.34 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3m62 h PRO 153 CO 0.14 0.55 -0.03 1.15 -0.21 0.00 0.00 178.00 179.60 3m62 h THR 154 N 0.54 1.22 0.00 -1.15 2.02 -1.56 -0.99 112.91 112.99 3m62 h THR 154 Ca 0.12 -0.91 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 3m62 h THR 154 Cb 0.28 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3m62 h THR 154 CO 0.00 0.31 -0.40 0.25 0.37 0.00 0.00 175.52 176.06 3m62 h LEU 155 N 0.56 0.00 0.75 2.58 5.85 -0.44 -1.19 115.31 123.42 3m62 h LEU 155 Ca 0.11 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3m62 h LEU 155 Cb 0.41 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.44 3m62 h LEU 155 CO 0.02 0.40 -0.38 0.25 -0.34 0.00 0.00 178.44 178.38 3m62 h LEU 156 N 0.00 -0.91 -0.72 2.25 5.85 -0.30 -2.05 115.31 119.44 3m62 h LEU 156 Ca -0.00 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.90 3m62 h LEU 156 Cb 0.88 0.24 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 3m62 h LEU 156 CO 0.05 -0.63 0.17 -0.08 -0.34 0.00 0.00 178.44 177.61 3m62 h GLU 157 N -1.03 0.26 -0.97 1.25 4.81 -1.45 -0.55 114.58 116.90 3m62 h GLU 157 Ca -0.10 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.24 3m62 h GLU 157 Cb 0.80 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.04 3m62 h GLU 157 CO 0.16 0.17 0.62 -0.92 -0.73 0.00 0.00 179.01 178.31 3m62 h TYR 158 N 0.27 1.06 0.00 0.92 3.20 -1.14 0.21 116.97 121.49 3m62 h TYR 158 Ca 0.40 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.18 3m62 h TYR 158 Cb 0.67 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3m62 h TYR 158 CO -0.26 0.41 -0.57 0.00 -1.64 0.00 0.00 178.16 176.10 3m62 n ASN 160 N -3.60 0.36 -0.01 0.00 3.02 -0.81 -4.09 115.26 110.13 3m62 n ASN 160 Ca -0.00 0.17 0.01 0.00 -0.03 0.00 0.00 54.58 54.72 3m62 n ASN 160 Cb 0.63 0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 40.41 3m62 n ASN 160 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3m62 n LYS 161 N -2.83 1.02 0.00 3.52 4.76 0.69 -4.76 118.16 120.57 3m62 n LYS 161 Ca -0.24 -0.02 0.07 0.00 -2.87 0.00 0.00 58.31 55.25 3m62 n LYS 161 Cb 1.06 -1.09 -0.03 0.00 -1.84 0.00 0.00 35.03 33.14 3m62 n LYS 161 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3m62 n HIS 162 N -1.76 0.00 -4.81 2.13 8.25 -0.93 -4.87 115.22 113.24 3m62 n HIS 162 Ca -0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 3m62 n HIS 162 Cb 0.23 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 3m62 n HIS 162 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3m62 s VAL 163 N -2.04 2.27 0.12 1.59 1.01 -1.20 -5.04 120.40 117.10 3m62 s VAL 163 Ca 0.10 -1.40 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 3m62 s VAL 163 Cb 0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3m62 s VAL 163 CO 0.47 0.33 1.57 0.28 0.00 0.00 0.00 175.10 177.74 3m62 h SER 164 N 4.64 0.66 -2.87 3.32 0.02 -1.91 -3.42 113.55 113.99 3m62 h SER 164 Ca -0.47 -0.31 -0.32 0.00 -0.84 0.00 0.00 61.79 59.86 3m62 h SER 164 Cb 1.15 -0.18 -0.36 0.00 0.14 0.00 0.00 62.40 63.15 3m62 h SER 164 CO 0.44 0.81 -0.64 -1.00 -1.14 0.00 0.00 176.83 175.29 3m62 s HIS 165 N -5.01 -0.19 -0.66 3.45 0.09 -1.26 -5.05 115.29 106.66 3m62 s HIS 165 Ca -0.13 0.39 -0.27 0.00 -0.00 0.00 0.00 55.06 55.05 3m62 s HIS 165 Cb 0.10 -0.33 0.01 0.00 -0.00 0.00 0.00 32.58 32.36 3m62 s HIS 165 CO 0.79 -0.42 1.46 0.12 -0.00 0.00 0.00 174.74 176.68 3m62 s PHE 166 N 2.30 2.13 0.39 1.40 5.36 -1.26 -4.69 117.98 123.61 3m62 s PHE 166 Ca 0.04 0.29 -0.13 0.00 -0.96 0.00 0.00 56.93 56.17 3m62 s PHE 166 Cb -0.14 -4.44 0.05 0.00 -0.34 0.00 0.00 43.02 38.16 3m62 s PHE 166 CO -0.09 -2.11 0.76 0.16 -1.46 0.00 0.00 175.22 172.48 3m62 s ASP 167 N 5.00 0.17 0.64 6.13 3.84 -1.26 -4.93 116.67 126.26 3m62 s ASP 167 Ca 0.47 -1.25 0.39 0.00 -0.00 0.00 0.00 52.55 52.17 3m62 s ASP 167 Cb -0.10 0.84 2.18 0.00 -1.38 0.00 0.00 42.92 44.47 3m62 s ASP 167 CO 0.19 -1.68 2.32 0.25 -0.00 0.00 0.00 175.17 176.25 3m62 h LEU 168 N 2.01 0.00 -1.13 2.11 5.85 -1.91 -1.77 115.31 120.47 3m62 h LEU 168 Ca -0.33 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 3m62 h LEU 168 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3m62 h LEU 168 CO 0.42 0.01 -0.15 0.78 -0.34 0.00 0.00 178.44 179.16 3m62 h ASN 169 N 0.00 0.43 -0.72 1.25 2.35 -1.94 -3.34 115.58 113.61 3m62 h ASN 169 Ca -0.00 -0.11 -0.71 0.00 -0.55 0.00 0.00 56.30 54.93 3m62 h ASN 169 Cb 0.04 -0.11 -0.08 0.00 0.05 0.00 0.00 38.32 38.21 3m62 h ASN 169 CO 0.00 0.60 2.46 -0.62 -1.65 0.00 0.00 177.43 178.22 3m62 n GLU 170 N -4.20 3.13 0.48 0.81 -0.58 -0.67 -4.86 120.64 114.76 3m62 n GLU 170 Ca 0.00 -3.10 -0.20 0.00 -0.42 0.00 0.00 57.16 53.44 3m62 n GLU 170 Cb 0.33 -3.31 -0.10 0.00 -0.57 0.00 0.00 31.44 27.79 3m62 n GLU 170 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3m62 h SER 171 N 6.71 -1.17 -0.19 1.62 0.87 -1.83 0.06 113.55 119.63 3m62 h SER 171 Ca 0.48 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 61.13 3m62 h SER 171 Cb 0.75 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.99 3m62 h SER 171 CO 1.62 -0.78 -0.11 0.58 -0.53 0.00 0.00 176.83 177.61 3m62 h VAL 172 N -1.27 0.66 0.25 2.23 2.07 -1.95 -1.69 116.25 116.56 3m62 h VAL 172 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3m62 h VAL 172 Cb 0.99 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3m62 h VAL 172 CO 0.17 0.00 -0.12 0.40 0.02 0.00 0.00 177.57 178.04 3m62 h ILE 173 N -0.10 0.78 -0.44 4.57 2.04 -1.85 0.05 117.51 122.56 3m62 h ILE 173 Ca 0.11 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3m62 h ILE 173 Cb 0.26 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3m62 h ILE 173 CO -0.25 0.03 0.17 0.10 0.00 0.00 0.00 178.15 178.20 3m62 h TYR 174 N -0.41 0.63 -0.31 1.37 -0.00 -0.94 0.12 116.97 117.42 3m62 h TYR 174 Ca -0.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.73 58.63 3m62 h TYR 174 Cb 0.31 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 36.83 3m62 h TYR 174 CO -0.04 0.50 0.03 -0.91 -0.00 0.00 0.00 178.16 177.74 3m62 h ASN 175 N 0.63 0.51 -0.51 0.10 2.35 -0.91 -1.81 115.58 115.94 3m62 h ASN 175 Ca 0.15 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 3m62 h ASN 175 Cb 0.14 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3m62 h ASN 175 CO -0.01 0.66 0.03 0.78 -1.65 0.00 0.00 177.43 177.24 3m62 h ASN 176 N 0.34 0.89 -0.58 5.81 2.35 -0.36 -0.16 115.58 123.87 3m62 h ASN 176 Ca 0.09 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3m62 h ASN 176 Cb 0.38 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3m62 h ASN 176 CO 0.01 0.93 0.36 0.58 -1.65 0.00 0.00 177.43 177.66 3m62 h VAL 177 N 0.86 1.16 -0.79 2.81 2.07 -0.69 -1.03 116.25 120.64 3m62 h VAL 177 Ca 0.17 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3m62 h VAL 177 Cb 0.46 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3m62 h VAL 177 CO 0.02 0.17 0.46 -0.07 0.02 0.00 0.00 177.57 178.17 3m62 h LEU 178 N 0.79 0.96 -1.26 2.57 3.38 -0.92 -2.30 115.31 118.53 3m62 h LEU 178 Ca 0.21 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3m62 h LEU 178 Cb -0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3m62 h LEU 178 CO -0.04 0.76 0.51 0.74 0.09 0.00 0.00 178.44 180.50 3m62 h THR 179 N 1.09 1.13 0.47 0.22 2.02 -0.34 -1.49 112.91 116.00 3m62 h THR 179 Ca 0.28 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3m62 h THR 179 Cb -0.02 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3m62 h THR 179 CO -0.05 0.18 -0.22 0.40 0.37 0.00 0.00 175.52 176.19 3m62 h ILE 180 N 0.97 0.52 -0.55 3.11 2.04 -0.66 -1.34 117.51 121.60 3m62 h ILE 180 Ca 0.31 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 66.08 3m62 h ILE 180 Cb 0.03 0.62 -0.11 0.00 -0.74 0.00 0.00 36.82 36.62 3m62 h ILE 180 CO -0.09 0.03 -0.26 -0.26 0.00 0.00 0.00 178.15 177.57 3m62 h PHE 181 N -0.75 -0.69 -0.47 1.37 0.04 -1.35 -2.20 116.94 112.89 3m62 h PHE 181 Ca -0.06 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3m62 h PHE 181 Cb 0.54 0.39 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 3m62 h PHE 181 CO -0.02 -0.34 0.30 0.93 -0.60 0.00 0.00 178.31 178.58 3m62 h GLU 182 N -0.13 0.63 -0.72 1.51 5.08 -1.22 0.11 114.58 119.84 3m62 h GLU 182 Ca 0.24 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 3m62 h GLU 182 Cb 0.51 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3m62 h GLU 182 CO -0.63 0.43 0.44 1.25 -1.00 0.00 0.00 179.01 179.50 3m62 h LEU 183 N 0.63 0.70 0.01 1.33 5.85 -0.89 -1.99 115.31 120.96 3m62 h LEU 183 Ca 0.17 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3m62 h LEU 183 Cb -0.05 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3m62 h LEU 183 CO -0.04 0.47 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.27 3m62 h PHE 184 N 0.84 -0.02 0.00 1.25 0.04 -1.07 -3.34 116.94 114.65 3m62 h PHE 184 Ca 0.30 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 3m62 h PHE 184 Cb 0.09 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3m62 h PHE 184 CO -0.05 0.65 0.00 1.55 -0.60 0.00 0.00 178.31 179.86 3m62 n VAL 185 N -4.77 0.71 0.22 -0.55 3.14 -0.00 -1.15 118.33 115.94 3m62 n VAL 185 Ca -0.09 -0.02 0.11 0.00 -2.96 0.00 0.00 64.34 61.38 3m62 n VAL 185 Cb 0.33 -0.89 0.42 0.00 -1.06 0.00 0.00 33.84 32.65 3m62 n VAL 185 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3m62 h THR 186 N 0.00 0.41 -2.84 1.55 2.02 -1.47 -3.39 112.91 109.17 3m62 h THR 186 Ca 0.00 -1.10 -0.57 0.00 0.77 0.00 0.00 66.41 65.51 3m62 h THR 186 Cb 0.55 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3m62 h THR 186 CO 0.00 0.18 1.12 -0.36 0.37 0.00 0.00 175.52 176.83 3m62 s PHE 187 N -3.52 2.16 0.19 3.16 0.40 -0.30 -4.93 117.98 115.14 3m62 s PHE 187 Ca 0.02 0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 56.83 3m62 s PHE 187 Cb 0.09 -4.02 0.21 0.00 0.51 0.00 0.00 43.02 39.81 3m62 s PHE 187 CO 0.63 -2.71 1.73 -0.22 0.70 0.00 0.00 175.22 175.36 3m62 h LYS 188 N 10.81 0.31 0.00 0.44 1.63 -1.85 -0.91 116.57 127.00 3m62 h LYS 188 Ca -0.32 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.45 3m62 h LYS 188 Cb 1.14 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.70 3m62 h LYS 188 CO 1.02 0.20 -0.07 -1.35 -3.45 0.00 0.00 179.45 175.80 3m62 h PRO 189 N 0.32 0.00 -0.18 1.90 0.11 -1.94 -0.79 132.00 131.42 3m62 h PRO 189 Ca 0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.30 3m62 h PRO 189 Cb 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 3m62 h PRO 189 CO -0.30 0.07 -0.17 0.82 -0.21 0.00 0.00 178.00 178.21 3m62 h ILE 190 N 0.00 1.33 -0.40 4.15 1.08 -1.53 -3.27 117.51 118.88 3m62 h ILE 190 Ca -0.00 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.14 3m62 h ILE 190 Cb 0.22 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 3m62 h ILE 190 CO 0.01 0.40 0.22 0.00 -0.69 0.00 0.00 178.15 178.09 3m62 h ALA 191 N 0.63 1.64 0.00 1.87 0.00 0.11 -1.40 119.26 122.11 3m62 h ALA 191 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3m62 h ALA 191 Cb 0.71 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3m62 h ALA 191 CO 0.04 0.31 -0.07 1.05 0.00 0.00 0.00 179.25 180.58 3m62 h GLU 192 N 0.55 0.00 -0.01 0.00 4.11 -1.37 -3.26 114.58 114.59 3m62 h GLU 192 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3m62 h GLU 192 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3m62 h GLU 192 CO -0.02 0.07 0.00 0.44 0.07 0.00 0.00 179.01 179.56 3m62 n ILE 193 N -3.16 0.14 -0.18 -1.06 -5.35 -1.01 -4.51 119.36 104.24 3m62 n ILE 193 Ca 0.01 -0.57 0.20 0.00 -0.27 0.00 0.00 62.75 62.12 3m62 n ILE 193 Cb 0.40 0.97 0.57 0.00 -1.74 0.00 0.00 39.64 39.84 3m62 n ILE 193 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3m62 h PHE 194 N 0.42 0.36 0.00 4.28 3.57 -1.30 0.83 116.94 125.10 3m62 h PHE 194 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3m62 h PHE 194 Cb 0.15 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.78 3m62 h PHE 194 CO 0.01 0.11 0.00 0.25 -2.23 0.00 0.00 178.31 176.44 3m62 n THR 195 N -4.44 0.28 1.50 4.41 -2.24 -1.26 -2.16 114.28 110.37 3m62 n THR 195 Ca 0.17 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 3m62 n THR 195 Cb 0.70 -0.66 0.46 0.00 -2.10 0.00 0.00 70.33 68.72 3m62 n THR 195 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m62 n LYS 196 N -1.38 1.48 -2.10 -0.78 4.76 0.29 -4.74 118.16 115.69 3m62 n LYS 196 Ca 0.09 -0.72 -0.40 0.00 -2.87 0.00 0.00 58.31 54.41 3m62 n LYS 196 Cb 0.23 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 3m62 n LYS 196 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3m62 s ILE 197 N -1.87 2.70 0.14 -0.18 1.01 -0.92 -4.95 121.20 117.12 3m62 s ILE 197 Ca 0.32 0.67 -0.34 0.00 0.00 0.00 0.00 60.65 61.29 3m62 s ILE 197 Cb 0.16 -3.41 -0.15 0.00 0.01 0.00 0.00 42.46 39.07 3m62 s ILE 197 CO 0.26 0.14 1.40 0.47 0.00 0.00 0.00 174.94 177.21 3m62 n ASP 198 N 0.54 2.24 -0.97 3.58 8.00 -1.26 -1.54 116.55 127.14 3m62 n ASP 198 Ca 0.01 1.11 -0.13 0.00 0.71 0.00 0.00 54.79 56.50 3m62 n ASP 198 Cb 0.43 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.17 3m62 n ASP 198 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m62 n GLY 199 N 2.70 1.34 0.15 0.44 0.00 -1.26 -4.71 105.19 103.85 3m62 n GLY 199 Ca 0.17 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3m62 n GLY 199 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m62 h PHE 200 N 0.00 0.44 -3.76 1.61 3.04 -1.57 0.09 116.94 116.79 3m62 h PHE 200 Ca -0.26 -0.04 -0.49 0.00 3.98 0.00 0.00 57.97 61.16 3m62 h PHE 200 Cb 0.88 -0.13 0.05 0.00 2.56 0.00 0.00 35.95 39.31 3m62 h PHE 200 CO 0.39 0.46 0.20 -0.06 -2.02 0.00 0.00 178.31 177.28 3m62 s PHE 201 N -5.43 3.41 0.12 0.41 0.08 -1.26 -4.01 117.98 111.29 3m62 s PHE 201 Ca -0.13 0.80 -0.29 0.00 0.12 0.00 0.00 56.93 57.43 3m62 s PHE 201 Cb 0.08 -2.61 -0.06 0.00 -0.57 0.00 0.00 43.02 39.86 3m62 s PHE 201 CO 0.73 -0.65 0.91 0.00 -0.10 0.00 0.00 175.22 176.11 3m62 s ALA 202 N -2.95 3.30 0.98 5.36 0.00 -1.26 -4.85 121.76 122.33 3m62 s ALA 202 Ca 0.52 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 3m62 s ALA 202 Cb -0.11 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 19.88 3m62 s ALA 202 CO 0.46 0.05 0.39 -0.25 0.00 0.00 0.00 175.76 176.41 3m62 n ASP 203 N 2.52 -2.03 0.01 0.00 8.00 -1.26 -4.90 116.55 118.89 3m62 n ASP 203 Ca 0.00 0.26 0.02 0.00 0.71 0.00 0.00 54.79 55.79 3m62 n ASP 203 Cb 0.49 -1.18 0.37 0.00 -0.02 0.00 0.00 41.12 40.77 3m62 n ASP 203 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3m62 h TYR 204 N -1.67 0.51 -0.34 1.24 3.20 -2.05 -2.57 116.97 115.29 3m62 h TYR 204 Ca -0.45 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3m62 h TYR 204 Cb 1.29 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3m62 h TYR 204 CO 0.36 0.42 0.00 -1.13 -1.64 0.00 0.00 178.16 176.17 3m62 n SER 205 N -4.38 2.64 -4.67 -2.11 3.41 -1.26 -4.90 113.62 102.35 3m62 n SER 205 Ca 0.02 -1.89 -0.43 0.00 -0.26 0.00 0.00 58.87 56.31 3m62 n SER 205 Cb 0.15 -0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3m62 n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m62 s LYS 207 N 3.40 3.89 0.24 0.00 1.02 -1.26 -4.93 119.74 122.09 3m62 s LYS 207 Ca 0.62 1.66 -0.04 0.00 0.02 0.00 0.00 55.97 58.22 3m62 s LYS 207 Cb -0.27 -2.42 0.46 0.00 -0.52 0.00 0.00 37.83 35.08 3m62 s LYS 207 CO 0.22 -0.41 1.71 -1.35 -0.92 0.00 0.00 175.35 174.59 3m62 h PRO 208 N 2.14 0.35 0.00 -1.68 0.11 -1.88 0.32 132.00 131.37 3m62 h PRO 208 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m62 h PRO 208 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3m62 h PRO 208 CO 0.61 0.23 0.00 1.96 -0.21 0.00 0.00 178.00 180.59 3m62 h GLN 209 N 0.36 0.00 -0.01 1.05 7.50 -1.72 -2.00 115.11 120.31 3m62 h GLN 209 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 3m62 h GLN 209 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.19 3m62 h GLN 209 CO -0.45 0.00 -0.37 -0.25 -1.50 0.00 0.00 178.83 176.26 3m62 n ASP 210 N -2.56 1.03 -0.18 1.46 8.00 0.11 -4.22 116.55 120.20 3m62 n ASP 210 Ca -0.01 -0.84 -0.02 0.00 0.71 0.00 0.00 54.79 54.63 3m62 n ASP 210 Cb 0.08 0.25 0.08 0.00 -0.02 0.00 0.00 41.12 41.50 3m62 n ASP 210 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3m62 h PHE 211 N 1.04 0.37 0.00 1.24 0.05 -1.38 0.64 116.94 118.91 3m62 h PHE 211 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3m62 h PHE 211 Cb 0.53 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.40 3m62 h PHE 211 CO 0.00 0.13 0.00 -0.85 -0.18 0.00 0.00 178.31 177.41 3m62 n GLU 212 N -4.98 0.15 -0.09 1.51 0.28 -1.26 -3.28 120.64 112.96 3m62 n GLU 212 Ca 0.06 0.34 -0.13 0.00 -0.16 0.00 0.00 57.16 57.27 3m62 n GLU 212 Cb 0.21 -1.76 -0.09 0.00 1.43 0.00 0.00 31.44 31.24 3m62 n GLU 212 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3m62 n ARG 213 N -2.03 0.50 -0.34 3.44 1.74 -0.40 -1.45 116.66 118.12 3m62 n ARG 213 Ca 0.03 0.11 0.10 0.00 -0.77 0.00 0.00 57.85 57.32 3m62 n ARG 213 Cb 0.24 -1.38 0.28 0.00 -1.02 0.00 0.00 32.46 30.58 3m62 n ARG 213 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3m62 n LYS 214 N -3.04 2.85 -5.02 5.56 5.02 0.21 -4.80 118.16 118.94 3m62 n LYS 214 Ca -0.33 -2.53 -0.31 0.00 -2.02 0.00 0.00 58.31 53.13 3m62 n LYS 214 Cb 0.86 -1.52 -0.15 0.00 -0.02 0.00 0.00 35.03 34.20 3m62 n LYS 214 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3m62 s THR 215 N -1.09 2.17 0.28 -0.18 2.01 -1.21 -4.92 115.64 112.71 3m62 s THR 215 Ca 0.42 -1.28 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3m62 s THR 215 Cb 0.23 -1.82 0.27 0.00 0.01 0.00 0.00 72.50 71.19 3m62 s THR 215 CO 0.28 0.44 1.73 0.40 -0.69 0.00 0.00 174.62 176.77 3m62 h ILE 216 N 4.30 0.59 0.00 1.82 1.08 -1.10 -1.32 117.51 122.88 3m62 h ILE 216 Ca -0.45 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3m62 h ILE 216 Cb 1.14 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3m62 h ILE 216 CO 0.45 0.09 -0.83 0.18 -0.69 0.00 0.00 178.15 177.35 3m62 n LEU 217 N -4.95 0.73 -0.28 1.44 4.77 -1.26 -4.54 117.00 112.91 3m62 n LEU 217 Ca 0.20 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 3m62 n LEU 217 Cb 0.57 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3m62 n LEU 217 CO 0.17 -0.08 0.51 1.23 -1.33 0.00 0.00 177.39 177.88 3m62 h GLY 218 N 4.35 -0.80 1.02 -0.72 0.00 -1.42 -1.89 103.07 103.60 3m62 h GLY 218 Ca 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 47.33 48.03 3m62 h GLY 218 CO 0.00 -0.06 0.45 -2.55 0.00 0.00 0.00 176.54 174.38 3m62 h PRO 219 N -0.19 1.14 -0.12 4.80 0.11 -1.44 -1.37 132.00 134.94 3m62 h PRO 219 Ca 0.14 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 3m62 h PRO 219 Cb 0.51 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3m62 h PRO 219 CO -0.78 0.84 -0.34 -0.84 -0.21 0.00 0.00 178.00 176.67 3m62 h ILE 220 N 1.14 1.28 0.00 4.15 3.07 -1.84 -2.18 117.51 123.12 3m62 h ILE 220 Ca 0.29 -1.34 0.00 0.00 1.55 0.00 0.00 64.86 65.36 3m62 h ILE 220 Cb 0.03 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3m62 h ILE 220 CO -0.05 0.40 0.00 -0.07 -1.05 0.00 0.00 178.15 177.39 3m62 h LEU 221 N 0.20 0.00 -1.00 0.16 3.38 -0.44 -2.93 115.31 114.68 3m62 h LEU 221 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3m62 h LEU 221 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3m62 h LEU 221 CO 0.05 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 3m62 n SER 222 N -3.02 1.53 -4.63 -0.43 3.41 -0.68 -4.43 113.62 105.37 3m62 n SER 222 Ca 0.01 -1.60 -0.43 0.00 -0.26 0.00 0.00 58.87 56.59 3m62 n SER 222 Cb 0.33 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3m62 n SER 222 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3m62 s LEU 223 N -1.75 3.86 -0.17 1.04 1.02 -1.11 -4.50 118.68 117.07 3m62 s LEU 223 Ca 0.35 1.39 -0.29 0.00 0.02 0.00 0.00 54.13 55.60 3m62 s LEU 223 Cb 0.19 -3.54 0.11 0.00 0.02 0.00 0.00 46.19 42.98 3m62 s LEU 223 CO 0.29 -1.20 0.94 -0.55 0.02 0.00 0.00 176.35 175.85 3m62 s SER 224 N 3.63 -0.45 0.00 2.29 0.15 -1.26 -4.94 113.70 113.12 3m62 s SER 224 Ca 0.64 0.61 0.16 0.00 0.70 0.00 0.00 55.95 58.06 3m62 s SER 224 Cb -0.21 0.53 0.78 0.00 -1.71 0.00 0.00 66.02 65.41 3m62 s SER 224 CO 0.27 -0.34 1.48 -0.81 1.20 0.00 0.00 173.24 175.04 3m62 n PRO 225 N 1.19 0.17 -0.89 5.44 -0.04 -1.26 -3.29 135.00 136.32 3m62 n PRO 225 Ca -0.12 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3m62 n PRO 225 Cb 0.57 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.86 3m62 n PRO 225 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3m62 n ILE 226 N -1.34 2.78 -2.90 0.52 -5.35 -1.26 -4.11 119.36 107.70 3m62 n ILE 226 Ca 0.07 -1.66 -0.40 0.00 -0.27 0.00 0.00 62.75 60.49 3m62 n ILE 226 Cb 0.14 -0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 37.68 3m62 n ILE 226 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3m62 s GLU 227 N -2.92 4.53 0.16 6.28 2.56 -1.21 -4.57 118.70 123.54 3m62 s GLU 227 Ca 0.53 1.15 -0.28 0.00 0.00 0.00 0.00 54.97 56.38 3m62 s GLU 227 Cb 0.42 -3.40 -0.00 0.00 2.00 0.00 0.00 34.13 33.15 3m62 s GLU 227 CO 0.13 0.17 1.56 0.00 -0.56 0.00 0.00 175.26 176.55 3m62 h ALA 228 N 6.07 -0.44 -0.74 6.30 0.00 -1.94 -0.87 119.26 127.65 3m62 h ALA 228 Ca -0.43 0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.71 3m62 h ALA 228 Cb 1.21 1.09 -0.05 0.00 0.00 0.00 0.00 17.79 20.04 3m62 h ALA 228 CO 0.73 -0.89 0.49 0.00 0.00 0.00 0.00 179.25 179.57 3m62 h ALA 229 N 0.50 2.00 -0.25 0.00 0.00 -1.97 0.20 119.26 119.75 3m62 h ALA 229 Ca 0.16 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3m62 h ALA 229 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3m62 h ALA 229 CO -0.74 -0.18 -0.38 0.28 0.00 0.00 0.00 179.25 178.22 3m62 h VAL 230 N 0.50 1.31 -0.29 0.00 2.07 -1.54 -2.20 116.25 116.10 3m62 h VAL 230 Ca 0.36 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 3m62 h VAL 230 Cb 0.69 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3m62 h VAL 230 CO -0.12 0.50 0.01 0.00 0.02 0.00 0.00 177.57 177.98 3m62 h ALA 231 N 0.65 0.39 -0.61 1.67 0.00 0.20 -1.67 119.26 119.89 3m62 h ALA 231 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3m62 h ALA 231 Cb 0.98 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3m62 h ALA 231 CO 0.09 0.12 0.40 0.82 0.00 0.00 0.00 179.25 180.67 3m62 h ILE 232 N 0.30 1.16 -0.81 0.00 2.04 -0.74 0.18 117.51 119.63 3m62 h ILE 232 Ca 0.08 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3m62 h ILE 232 Cb 0.40 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3m62 h ILE 232 CO 0.01 0.16 0.39 -0.09 0.00 0.00 0.00 178.15 178.62 3m62 h ARG 233 N 0.83 1.16 0.03 2.37 9.65 -1.18 -1.15 114.38 126.08 3m62 h ARG 233 Ca 0.22 -0.17 -0.34 0.00 -1.10 0.00 0.00 59.98 58.59 3m62 h ARG 233 Cb -0.09 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.23 3m62 h ARG 233 CO -0.05 0.89 -2.07 0.09 2.80 0.00 0.00 179.97 181.63 3m62 n ASN 234 N -4.31 1.05 -0.08 -3.80 3.02 -0.65 -4.43 115.26 106.07 3m62 n ASN 234 Ca 0.08 0.18 -0.12 0.00 -0.03 0.00 0.00 54.58 54.68 3m62 n ASN 234 Cb 0.14 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 3m62 n ASN 234 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3m62 n TYR 235 N -3.08 0.00 0.28 3.10 4.01 0.60 -4.66 117.16 117.41 3m62 n TYR 235 Ca -0.29 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.63 3m62 n TYR 235 Cb 1.07 -0.58 0.74 0.00 -0.31 0.00 0.00 39.34 40.26 3m62 n TYR 235 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3m62 h GLY 236 N 0.72 0.00 -0.06 2.72 0.00 -1.04 -1.14 103.07 104.28 3m62 h GLY 236 Ca -0.36 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3m62 h GLY 236 CO -0.10 0.00 -0.03 1.34 0.00 0.00 0.00 176.54 177.74 3m62 n ASP 237 N -3.11 -0.06 -3.24 0.19 2.03 -0.85 -4.41 116.55 107.11 3m62 n ASP 237 Ca 0.00 0.14 -0.03 0.00 0.52 0.00 0.00 54.79 55.42 3m62 n ASP 237 Cb 0.28 -0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.62 3m62 n ASP 237 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3m62 s ASN 238 N -4.16 -0.59 0.00 1.67 2.47 -0.43 -5.01 114.94 108.88 3m62 s ASN 238 Ca -0.01 -0.33 0.30 0.00 0.42 0.00 0.00 52.86 53.24 3m62 s ASN 238 Cb 0.01 1.54 1.42 0.00 -1.45 0.00 0.00 41.25 42.76 3m62 s ASN 238 CO 0.03 -0.30 2.00 0.18 -3.72 0.00 0.00 177.10 175.30 3m62 n LEU 239 N 5.15 0.04 -1.45 3.21 4.77 -1.23 -3.24 117.00 124.24 3m62 n LEU 239 Ca 0.05 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.43 3m62 n LEU 239 Cb 0.52 -0.34 0.34 0.00 -2.33 0.00 0.00 43.42 41.61 3m62 n LEU 239 CO -0.02 0.01 0.80 0.18 -1.33 0.00 0.00 177.39 177.02 3m62 n LEU 240 N -1.33 4.75 -4.74 2.23 4.77 -1.26 -5.00 117.00 116.42 3m62 n LEU 240 Ca 0.12 -2.72 -0.37 0.00 -0.03 0.00 0.00 56.01 53.01 3m62 n LEU 240 Cb 0.27 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3m62 n LEU 240 CO 0.24 0.71 0.92 -0.13 -1.33 0.00 0.00 177.39 177.81 3m62 s ARG 241 N -2.33 2.84 1.07 3.23 0.52 -1.20 -5.01 118.95 118.06 3m62 s ARG 241 Ca 0.48 2.09 -0.12 0.00 -0.52 0.00 0.00 55.73 57.66 3m62 s ARG 241 Cb 0.35 -2.01 0.23 0.00 0.52 0.00 0.00 34.95 34.04 3m62 s ARG 241 CO 0.17 -1.38 1.08 -1.54 0.02 0.00 0.00 175.30 173.65 3m62 s SER 242 N -1.26 1.70 0.19 0.23 1.04 -1.26 -4.74 113.70 109.59 3m62 s SER 242 Ca 0.78 1.84 -0.12 0.00 0.48 0.00 0.00 55.95 58.93 3m62 s SER 242 Cb -0.37 -2.44 0.13 0.00 0.10 0.00 0.00 66.02 63.43 3m62 s SER 242 CO 0.41 -3.81 1.85 0.11 0.98 0.00 0.00 173.24 172.79 3m62 h LYS 243 N -2.35 0.82 -0.61 4.02 1.79 -1.99 -0.88 116.57 117.36 3m62 h LYS 243 Ca -0.54 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 57.94 3m62 h LYS 243 Cb 1.31 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 31.72 3m62 h LYS 243 CO 0.46 0.54 0.33 0.37 -1.08 0.00 0.00 179.45 180.07 3m62 h GLN 244 N 0.84 0.60 -0.42 3.15 4.15 -1.99 -0.03 115.11 121.41 3m62 h GLN 244 Ca 0.24 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.48 3m62 h GLN 244 Cb -0.06 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3m62 h GLN 244 CO -0.07 0.40 -0.30 1.96 -1.93 0.00 0.00 178.83 178.88 3m62 h GLN 245 N 0.62 0.95 -0.50 1.69 4.20 -1.85 -2.82 115.11 117.40 3m62 h GLN 245 Ca 0.27 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 3m62 h GLN 245 Cb 0.17 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3m62 h GLN 245 CO -0.17 1.12 0.03 1.15 -0.67 0.00 0.00 178.83 180.29 3m62 h THR 246 N 0.78 1.24 -0.57 -0.54 2.02 -0.79 -3.00 112.91 112.05 3m62 h THR 246 Ca 0.08 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.27 3m62 h THR 246 Cb 0.89 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3m62 h THR 246 CO 0.08 0.35 0.25 0.00 0.37 0.00 0.00 175.52 176.57 3m62 h ALA 247 N 1.26 1.36 -0.12 6.16 0.00 -0.77 -0.06 119.26 127.10 3m62 h ALA 247 Ca 0.15 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3m62 h ALA 247 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3m62 h ALA 247 CO 0.01 0.49 -0.49 0.52 0.00 0.00 0.00 179.25 179.78 3m62 h MET 248 N 0.81 0.31 -0.04 0.00 2.86 -1.37 -0.77 114.93 116.73 3m62 h MET 248 Ca 0.20 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3m62 h MET 248 Cb 0.13 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3m62 h MET 248 CO -0.02 0.74 -0.03 0.82 1.06 0.00 0.00 176.91 179.48 3m62 h ILE 249 N 0.25 1.36 -0.71 -1.22 2.04 -1.21 -1.53 117.51 116.49 3m62 h ILE 249 Ca 0.01 -1.10 0.15 0.00 1.00 0.00 0.00 64.86 64.92 3m62 h ILE 249 Cb 0.95 2.02 -0.13 0.00 -0.74 0.00 0.00 36.82 38.93 3m62 h ILE 249 CO 0.08 0.30 -0.05 0.45 0.00 0.00 0.00 178.15 178.93 3m62 h HIS 250 N -0.35 -0.15 -0.71 1.37 3.86 -0.90 -2.24 115.15 116.04 3m62 h HIS 250 Ca 0.01 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3m62 h HIS 250 Cb 0.49 0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 3m62 h HIS 250 CO 0.08 -0.25 0.32 0.93 0.86 0.00 0.00 177.93 179.87 3m62 h GLU 251 N 0.07 1.04 -0.29 2.45 5.08 -0.61 0.25 114.58 122.57 3m62 h GLU 251 Ca 0.37 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3m62 h GLU 251 Cb 0.62 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3m62 h GLU 251 CO -0.65 0.84 0.08 0.77 -1.00 0.00 0.00 179.01 179.04 3m62 h SER 252 N 1.00 0.44 -0.76 1.42 0.02 -0.92 -0.38 113.55 114.37 3m62 h SER 252 Ca 0.24 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3m62 h SER 252 Cb 0.16 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3m62 h SER 252 CO -0.03 0.55 0.40 -0.07 -1.14 0.00 0.00 176.83 176.54 3m62 h LEU 253 N 0.31 0.97 -0.11 5.07 3.38 -1.18 -0.16 115.31 123.59 3m62 h LEU 253 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3m62 h LEU 253 Cb 0.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3m62 h LEU 253 CO 0.00 0.80 -0.01 1.56 0.09 0.00 0.00 178.44 180.88 3m62 h GLN 254 N 1.09 0.21 -0.78 1.13 4.20 -0.33 0.66 115.11 121.29 3m62 h GLN 254 Ca 0.27 -0.07 0.13 0.00 0.06 0.00 0.00 58.65 59.03 3m62 h GLN 254 Cb 0.06 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.74 3m62 h GLN 254 CO -0.04 0.48 0.37 0.00 -0.67 0.00 0.00 178.83 178.97 3m62 h ALA 255 N 0.72 1.12 -0.11 3.87 0.00 -0.86 0.32 119.26 124.31 3m62 h ALA 255 Ca 0.03 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3m62 h ALA 255 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3m62 h ALA 255 CO 0.01 -0.10 -0.31 1.49 0.00 0.00 0.00 179.25 180.33 3m62 h GLU 256 N 0.58 0.41 -0.85 0.00 4.81 -0.90 -2.84 114.58 115.79 3m62 h GLU 256 Ca 0.41 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3m62 h GLU 256 Cb 0.54 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 3m62 h GLU 256 CO -0.34 0.91 0.56 1.25 -0.73 0.00 0.00 179.01 180.66 3m62 h HIS 257 N -0.01 1.03 -0.31 0.92 2.76 -0.52 -1.79 115.15 117.23 3m62 h HIS 257 Ca -0.01 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3m62 h HIS 257 Cb 0.93 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.52 3m62 h HIS 257 CO 0.11 0.61 0.14 -0.22 -1.30 0.00 0.00 177.93 177.26 3m62 h LYS 258 N 1.07 0.28 -0.57 5.26 1.63 -0.87 -1.40 116.57 121.98 3m62 h LYS 258 Ca 0.33 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 3m62 h LYS 258 Cb -0.00 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 3m62 h LYS 258 CO -0.09 0.19 0.36 0.28 -3.45 0.00 0.00 179.45 176.73 3m62 h VAL 259 N 0.29 1.16 -0.15 2.00 2.07 -1.21 -1.87 116.25 118.54 3m62 h VAL 259 Ca 0.13 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3m62 h VAL 259 Cb 0.07 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3m62 h VAL 259 CO -0.11 0.16 -0.03 0.58 0.02 0.00 0.00 177.57 178.19 3m62 h VAL 260 N 0.77 0.85 -0.60 2.57 2.07 -1.03 -1.00 116.25 119.88 3m62 h VAL 260 Ca 0.21 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.74 3m62 h VAL 260 Cb -0.05 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3m62 h VAL 260 CO -0.04 0.00 0.39 0.40 0.02 0.00 0.00 177.57 178.34 3m62 h ILE 261 N 0.00 1.13 -0.23 4.57 1.08 -1.09 0.20 117.51 123.18 3m62 h ILE 261 Ca 0.07 -0.27 0.06 0.00 -0.39 0.00 0.00 64.86 64.33 3m62 h ILE 261 Cb 0.11 0.27 -0.06 0.00 -3.07 0.00 0.00 36.82 34.07 3m62 h ILE 261 CO -0.15 0.15 -0.15 0.44 -0.69 0.00 0.00 178.15 177.74 3m62 h ASP 262 N 0.80 -0.50 -0.37 1.72 3.32 -1.12 0.43 116.42 120.69 3m62 h ASP 262 Ca 0.23 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 3m62 h ASP 262 Cb -0.06 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3m62 h ASP 262 CO -0.06 -0.19 -0.17 0.03 -1.72 0.00 0.00 179.24 177.13 3m62 h ARG 263 N -0.14 0.85 -0.39 3.56 3.08 -0.79 0.11 114.38 120.66 3m62 h ARG 263 Ca 0.13 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3m62 h ARG 263 Cb 0.34 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3m62 h ARG 263 CO -0.32 0.96 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.41 3m62 h LEU 264 N 0.75 0.73 -0.33 3.04 3.38 -0.29 -1.96 115.31 120.63 3m62 h LEU 264 Ca 0.11 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3m62 h LEU 264 Cb 0.69 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3m62 h LEU 264 CO 0.05 0.90 0.10 0.15 0.09 0.00 0.00 178.44 179.74 3m62 h PHE 265 N 0.55 0.53 -0.62 1.13 3.57 0.03 -0.24 116.94 121.89 3m62 h PHE 265 Ca 0.10 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.66 3m62 h PHE 265 Cb 0.56 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 3m62 h PHE 265 CO 0.05 0.53 0.19 0.35 -2.23 0.00 0.00 178.31 177.20 3m62 h PHE 266 N 0.38 0.31 0.31 0.41 3.57 -0.65 0.21 116.94 121.49 3m62 h PHE 266 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3m62 h PHE 266 Cb 0.25 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3m62 h PHE 266 CO 0.01 0.03 -0.15 0.82 -2.23 0.00 0.00 178.31 176.79 3m62 h ILE 267 N 0.34 0.72 -0.07 1.41 2.04 -1.05 -2.46 117.51 118.43 3m62 h ILE 267 Ca 0.32 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 3m62 h ILE 267 Cb 0.45 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3m62 h ILE 267 CO -0.37 0.06 -0.40 0.58 0.00 0.00 0.00 178.15 178.03 3m62 h VAL 268 N -0.58 1.30 -0.74 1.67 2.07 -0.88 -2.78 116.25 116.31 3m62 h VAL 268 Ca -0.04 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 3m62 h VAL 268 Cb 0.43 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3m62 h VAL 268 CO 0.07 0.43 0.25 -0.78 0.02 0.00 0.00 177.57 177.56 3m62 h ASP 269 N 0.13 1.05 -0.62 0.57 3.58 -0.90 0.45 116.42 120.67 3m62 h ASP 269 Ca 0.01 -0.18 0.09 0.00 0.42 0.00 0.00 57.03 57.37 3m62 h ASP 269 Cb 0.77 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.48 3m62 h ASP 269 CO 0.06 0.96 0.24 0.11 -2.88 0.00 0.00 179.24 177.73 3m62 h LYS 270 N 1.09 0.42 0.33 0.28 6.56 -1.17 0.21 116.57 124.28 3m62 h LYS 270 Ca 0.24 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.79 3m62 h LYS 270 Cb 0.27 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 3m62 h LYS 270 CO -0.01 0.28 -0.16 -0.07 -2.06 0.00 0.00 179.45 177.43 3m62 h LEU 271 N 0.43 -0.37 -1.59 2.94 3.38 -1.14 0.76 115.31 119.72 3m62 h LEU 271 Ca 0.31 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.34 3m62 h LEU 271 Cb 0.37 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3m62 h LEU 271 CO -0.30 -0.19 0.43 0.58 0.09 0.00 0.00 178.44 179.05 3m62 h VAL 272 N -0.52 0.90 0.00 1.22 2.07 -0.71 0.34 116.25 119.54 3m62 h VAL 272 Ca -0.04 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3m62 h VAL 272 Cb 0.39 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3m62 h VAL 272 CO 0.07 0.08 -0.32 0.54 0.02 0.00 0.00 177.57 177.97 3m62 n ARG 273 N -4.48 0.00 -0.17 1.57 1.74 0.70 -4.22 116.66 111.81 3m62 n ARG 273 Ca 0.11 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 3m62 n ARG 273 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3m62 n ARG 273 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3m62 h GLY 274 N 4.99 0.92 -3.13 -0.13 0.00 0.14 -3.47 103.07 102.40 3m62 h GLY 274 Ca 0.00 -0.68 0.36 0.00 0.00 0.00 0.00 47.33 47.00 3m62 h GLY 274 CO 0.00 0.63 0.93 -1.35 0.00 0.00 0.00 176.54 176.75 3m62 s SER 275 N -6.35 -0.03 0.41 0.19 1.04 -1.25 -4.40 113.70 103.31 3m62 s SER 275 Ca -0.12 -0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.36 3m62 s SER 275 Cb 0.11 0.07 0.88 0.00 0.10 0.00 0.00 66.02 67.18 3m62 s SER 275 CO 0.82 -0.12 2.00 0.25 0.98 0.00 0.00 173.24 177.17 3m62 h LEU 276 N 2.00 0.27 -0.09 2.42 5.85 -1.91 -1.01 115.31 122.85 3m62 h LEU 276 Ca -0.26 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3m62 h LEU 276 Cb 1.18 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3m62 h LEU 276 CO 0.27 0.31 -0.07 0.78 -0.34 0.00 0.00 178.44 179.39 3m62 h ASN 277 N 0.29 0.22 -0.62 1.25 4.21 -1.95 -0.70 115.58 118.29 3m62 h ASN 277 Ca 0.07 -0.47 -0.06 0.00 1.21 0.00 0.00 56.30 57.05 3m62 h ASN 277 Cb 0.18 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.30 3m62 h ASN 277 CO 0.00 0.64 0.15 0.28 -1.29 0.00 0.00 177.43 177.22 3m62 h SER 278 N -0.20 0.93 0.29 5.81 0.02 -1.69 -0.55 113.55 118.16 3m62 h SER 278 Ca 0.02 -0.23 -0.25 0.00 -0.84 0.00 0.00 61.79 60.49 3m62 h SER 278 Cb 0.57 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.88 3m62 h SER 278 CO 0.02 0.92 -1.03 0.08 -1.14 0.00 0.00 176.83 175.68 3m62 h ARG 279 N 0.90 0.47 -0.74 3.45 0.11 -1.17 -1.81 114.38 115.59 3m62 h ARG 279 Ca 0.19 -0.54 -0.06 0.00 0.10 0.00 0.00 59.98 59.67 3m62 h ARG 279 Cb 0.35 0.16 -0.03 0.00 1.11 0.00 0.00 29.97 31.56 3m62 h ARG 279 CO 0.00 1.19 0.24 1.15 0.10 0.00 0.00 179.97 182.65 3m62 h THR 280 N 0.25 1.26 -0.20 0.08 2.02 -1.04 -2.50 112.91 112.78 3m62 h THR 280 Ca -0.11 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 3m62 h THR 280 Cb 1.68 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3m62 h THR 280 CO 0.18 0.35 -0.10 0.44 0.37 0.00 0.00 175.52 176.76 3m62 h ASP 281 N 1.09 0.29 -0.13 4.18 3.32 -0.89 -1.42 116.42 122.87 3m62 h ASP 281 Ca 0.24 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3m62 h ASP 281 Cb 0.29 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3m62 h ASP 281 CO -0.01 0.43 0.00 0.24 -1.72 0.00 0.00 179.24 178.19 3m62 h MET 282 N 0.30 0.23 -0.71 3.56 2.86 -0.91 0.94 114.93 121.21 3m62 h MET 282 Ca 0.06 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 3m62 h MET 282 Cb 0.37 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 3m62 h MET 282 CO 0.02 0.46 0.29 0.82 1.06 0.00 0.00 176.91 179.56 3m62 h ILE 283 N -0.03 0.73 -0.51 -1.22 1.08 -1.31 -0.26 117.51 115.98 3m62 h ILE 283 Ca 0.04 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 3m62 h ILE 283 Cb 0.35 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 3m62 h ILE 283 CO 0.01 0.08 0.16 -1.28 -0.69 0.00 0.00 178.15 176.43 3m62 h SER 284 N 0.47 0.75 -0.04 1.72 0.87 -0.91 0.15 113.55 116.55 3m62 h SER 284 Ca 0.37 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3m62 h SER 284 Cb 0.50 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3m62 h SER 284 CO -0.35 0.76 0.01 0.22 -0.53 0.00 0.00 176.83 176.94 3m62 h TYR 285 N 0.70 0.08 -0.30 2.24 3.20 -0.25 -1.23 116.97 121.40 3m62 h TYR 285 Ca 0.17 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3m62 h TYR 285 Cb 0.28 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3m62 h TYR 285 CO 0.02 0.28 -0.20 0.74 -1.64 0.00 0.00 178.16 177.36 3m62 h PHE 286 N -0.16 0.61 -0.48 -3.82 0.04 -0.99 -2.90 116.94 109.24 3m62 h PHE 286 Ca 0.01 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.59 3m62 h PHE 286 Cb 0.25 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 3m62 h PHE 286 CO 0.01 0.71 -0.01 0.00 -0.60 0.00 0.00 178.31 178.42 3m62 h ALA 287 N 1.30 1.08 -0.29 2.45 0.00 -0.50 -2.02 119.26 121.28 3m62 h ALA 287 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3m62 h ALA 287 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3m62 h ALA 287 CO 0.04 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 181.10 3m62 h HIS 288 N 0.75 0.58 -0.63 0.00 -0.00 -1.07 -0.79 115.15 113.99 3m62 h HIS 288 Ca 0.14 -0.11 0.06 0.00 -0.00 0.00 0.00 60.37 60.46 3m62 h HIS 288 Cb 0.47 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.68 3m62 h HIS 288 CO 0.03 0.69 0.33 0.82 -0.00 0.00 0.00 177.93 179.79 3m62 h ILE 289 N 0.30 0.94 -0.25 6.26 2.04 -1.41 -2.37 117.51 123.01 3m62 h ILE 289 Ca 0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3m62 h ILE 289 Cb 0.47 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3m62 h ILE 289 CO 0.02 0.11 0.10 0.00 0.00 0.00 0.00 178.15 178.38 3m62 h ALA 290 N 1.34 0.33 -0.17 1.87 0.00 -1.19 -3.13 119.26 118.31 3m62 h ALA 290 Ca 0.29 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3m62 h ALA 290 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3m62 h ALA 290 CO -0.19 -0.07 0.13 -0.91 0.00 0.00 0.00 179.25 178.20 3m62 h ASN 291 N 0.26 0.00 -0.64 0.00 2.35 -0.63 -2.05 115.58 114.87 3m62 h ASN 291 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3m62 h ASN 291 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3m62 h ASN 291 CO -0.01 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.06 3m62 n LYS 292 N -4.32 3.08 -0.35 0.81 4.76 -1.03 -4.34 118.16 116.77 3m62 n LYS 292 Ca 0.01 -2.66 0.07 0.00 -2.87 0.00 0.00 58.31 52.86 3m62 n LYS 292 Cb 0.26 -1.64 0.12 0.00 -1.84 0.00 0.00 35.03 31.93 3m62 n LYS 292 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3m62 n ASN 293 N 1.25 1.66 0.25 4.39 3.02 -0.77 -4.80 115.26 120.26 3m62 n ASN 293 Ca 0.23 -2.94 0.09 0.00 -0.03 0.00 0.00 54.58 51.93 3m62 n ASN 293 Cb 0.69 -0.39 0.64 0.00 -0.61 0.00 0.00 39.78 40.10 3m62 n ASN 293 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 3m62 h HIS 294 N 0.25 0.00 0.00 3.10 3.86 -1.76 -1.85 115.15 118.75 3m62 h HIS 294 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3m62 h HIS 294 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 3m62 h HIS 294 CO 0.17 0.11 0.00 1.28 0.86 0.00 0.00 177.93 180.35 3m62 n LEU 295 N -4.12 0.00 0.20 2.43 4.77 -1.26 -2.13 117.00 116.88 3m62 n LEU 295 Ca -0.02 0.42 0.18 0.00 -0.03 0.00 0.00 56.01 56.56 3m62 n LEU 295 Cb 0.20 -0.42 0.82 0.00 -2.33 0.00 0.00 43.42 41.69 3m62 n LEU 295 CO 0.33 -0.17 1.16 0.03 -1.33 0.00 0.00 177.39 177.41 3m62 h ARG 296 N 0.00 0.00 -0.14 3.23 3.08 -1.66 -1.32 114.38 117.57 3m62 h ARG 296 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m62 h ARG 296 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3m62 h ARG 296 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3m62 n ARG 297 N -3.60 2.34 -0.70 0.04 5.12 -0.90 -4.53 116.66 114.42 3m62 n ARG 297 Ca 0.03 -2.02 -0.31 0.00 -1.93 0.00 0.00 57.85 53.62 3m62 n ARG 297 Cb 0.41 -1.47 0.17 0.00 -1.16 0.00 0.00 32.46 30.41 3m62 n ARG 297 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3m62 s ALA 298 N -1.82 1.46 0.30 7.54 0.00 -0.50 -4.94 121.76 123.80 3m62 s ALA 298 Ca 0.31 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 3m62 s ALA 298 Cb 0.21 -3.45 0.45 0.00 0.00 0.00 0.00 23.12 20.33 3m62 s ALA 298 CO 0.30 -2.77 1.92 -0.44 0.00 0.00 0.00 175.76 174.77 3m62 h ASP 299 N -1.88 0.87 -3.11 0.00 3.32 -1.94 -3.33 116.42 110.34 3m62 h ASP 299 Ca -0.43 -0.07 -0.61 0.00 0.02 0.00 0.00 57.03 55.94 3m62 h ASP 299 Cb 1.27 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 40.20 3m62 h ASP 299 CO 0.42 0.70 -0.74 -1.00 -1.72 0.00 0.00 179.24 176.89 3m62 s HIS 300 N -5.66 2.31 0.45 4.55 3.76 -1.26 -5.12 115.29 114.32 3m62 s HIS 300 Ca -0.11 -2.72 -0.25 0.00 -0.15 0.00 0.00 55.06 51.83 3m62 s HIS 300 Cb 0.17 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.84 3m62 s HIS 300 CO 0.79 -0.72 1.42 -2.14 -0.85 0.00 0.00 174.74 173.25 3m62 s PRO 301 N -0.33 3.66 -1.27 8.40 0.02 -1.25 -4.90 135.00 139.34 3m62 s PRO 301 Ca 0.24 2.40 -0.17 0.00 0.02 0.00 0.00 61.00 63.48 3m62 s PRO 301 Cb -0.11 -2.64 0.09 0.00 0.02 0.00 0.00 34.50 31.87 3m62 s PRO 301 CO -0.10 -0.83 1.66 -1.25 -0.33 0.00 0.00 177.00 176.14 3m62 s PRO 302 N -2.47 4.00 0.35 5.54 0.04 -1.26 -4.89 135.00 136.31 3m62 s PRO 302 Ca 0.61 -2.10 0.14 0.00 0.04 0.00 0.00 61.00 59.69 3m62 s PRO 302 Cb -0.43 -5.42 1.00 0.00 0.04 0.00 0.00 34.50 29.68 3m62 s PRO 302 CO 0.55 -2.14 1.73 0.74 0.04 0.00 0.00 177.00 177.92 3m62 h PHE 303 N 7.57 0.88 0.00 0.56 0.04 -1.94 0.12 116.94 124.16 3m62 h PHE 303 Ca 0.41 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.21 3m62 h PHE 303 Cb 0.88 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.78 3m62 h PHE 303 CO 1.35 0.03 0.00 0.87 -0.60 0.00 0.00 178.31 179.95 3m62 h LYS 304 N 0.48 0.00 -0.63 1.51 1.57 -1.97 -2.86 116.57 114.67 3m62 h LYS 304 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 3m62 h LYS 304 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 3m62 h LYS 304 CO -0.43 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.84 3m62 n GLU 305 N -2.59 4.20 -4.25 3.15 1.02 0.40 -4.71 120.64 117.86 3m62 n GLU 305 Ca 0.04 -3.01 -0.14 0.00 -0.02 0.00 0.00 57.16 54.03 3m62 n GLU 305 Cb 0.40 -2.04 -0.10 0.00 -0.02 0.00 0.00 31.44 29.67 3m62 n GLU 305 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3m62 s LEU 306 N -2.20 2.23 0.85 -4.62 1.43 -1.08 -4.13 118.68 111.16 3m62 s LEU 306 Ca 0.53 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3m62 s LEU 306 Cb 0.37 -0.14 0.10 0.00 0.03 0.00 0.00 46.19 46.55 3m62 s LEU 306 CO 0.22 -0.51 1.10 -0.44 0.23 0.00 0.00 176.35 176.94 3m62 s SER 307 N -3.18 3.82 0.47 2.29 0.01 -1.26 -3.71 113.70 112.14 3m62 s SER 307 Ca 0.22 1.76 -0.13 0.00 1.31 0.00 0.00 55.95 59.11 3m62 s SER 307 Cb 0.05 -2.41 -0.07 0.00 0.21 0.00 0.00 66.02 63.80 3m62 s SER 307 CO 0.03 -2.46 0.89 -0.94 0.41 0.00 0.00 173.24 171.17 3m62 s SER 308 N -3.26 6.55 0.28 2.44 1.04 -1.26 -4.92 113.70 114.57 3m62 s SER 308 Ca 0.63 1.35 0.02 0.00 0.48 0.00 0.00 55.95 58.44 3m62 s SER 308 Cb -0.18 -2.42 0.67 0.00 0.10 0.00 0.00 66.02 64.19 3m62 s SER 308 CO 0.57 -0.51 1.72 0.78 0.98 0.00 0.00 173.24 176.78 3m62 h ASN 309 N 1.01 0.42 -0.39 7.02 2.35 -1.94 -1.41 115.58 122.63 3m62 h ASN 309 Ca -0.47 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.37 3m62 h ASN 309 Cb 1.19 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 3m62 h ASN 309 CO 0.63 0.08 0.07 1.23 -1.65 0.00 0.00 177.43 177.78 3m62 h GLY 310 N 0.49 0.69 0.94 2.83 0.00 -1.89 0.54 103.07 106.66 3m62 h GLY 310 Ca 0.53 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3m62 h GLY 310 CO -0.47 0.42 -0.17 -2.75 0.00 0.00 0.00 176.54 173.58 3m62 h PHE 311 N 0.49 -0.44 -0.41 5.60 3.57 -1.70 -1.84 116.94 122.20 3m62 h PHE 311 Ca 0.12 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3m62 h PHE 311 Cb 0.36 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3m62 h PHE 311 CO 0.02 -0.23 -0.08 0.52 -2.23 0.00 0.00 178.31 176.32 3m62 h MET 312 N -0.54 0.72 -0.34 1.11 2.86 -1.17 -1.86 114.93 115.70 3m62 h MET 312 Ca -0.05 -0.22 -0.17 0.00 -2.06 0.00 0.00 59.70 57.20 3m62 h MET 312 Cb 0.41 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3m62 h MET 312 CO 0.08 0.78 -0.46 0.77 1.06 0.00 0.00 176.91 179.15 3m62 h SER 313 N 0.66 0.99 -0.26 1.22 0.02 -0.86 -1.10 113.55 114.22 3m62 h SER 313 Ca 0.12 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3m62 h SER 313 Cb 0.53 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3m62 h SER 313 CO 0.03 1.29 0.15 0.78 -1.14 0.00 0.00 176.83 177.94 3m62 h ASN 314 N 0.72 0.26 -0.57 3.07 2.35 -1.10 -1.07 115.58 119.24 3m62 h ASN 314 Ca 0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3m62 h ASN 314 Cb 1.06 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 3m62 h ASN 314 CO 0.11 0.19 0.37 0.40 -1.65 0.00 0.00 177.43 176.84 3m62 h ILE 315 N 0.32 1.15 -0.50 2.81 2.04 -1.30 -0.73 117.51 121.31 3m62 h ILE 315 Ca 0.10 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.75 3m62 h ILE 315 Cb -0.02 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 36.32 3m62 h ILE 315 CO -0.04 0.15 0.04 0.74 0.00 0.00 0.00 178.15 179.04 3m62 h THR 316 N 0.77 0.64 -0.77 -0.27 2.02 -0.76 0.09 112.91 114.63 3m62 h THR 316 Ca 0.21 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 3m62 h THR 316 Cb -0.07 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 3m62 h THR 316 CO -0.04 0.03 0.36 -0.07 0.37 0.00 0.00 175.52 176.17 3m62 h LEU 317 N 0.16 1.01 -0.34 2.58 3.38 -0.65 0.81 115.31 122.25 3m62 h LEU 317 Ca 0.25 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3m62 h LEU 317 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3m62 h LEU 317 CO -0.39 0.86 0.07 -0.07 0.09 0.00 0.00 178.44 178.99 3m62 h LEU 318 N 1.10 0.54 -0.53 1.67 3.38 -0.53 -1.03 115.31 119.90 3m62 h LEU 318 Ca 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3m62 h LEU 318 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3m62 h LEU 318 CO -0.03 0.65 0.24 -0.07 0.09 0.00 0.00 178.44 179.31 3m62 h LEU 319 N 0.40 0.71 -0.72 1.67 3.38 -0.65 0.19 115.31 120.29 3m62 h LEU 319 Ca 0.11 -0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.08 3m62 h LEU 319 Cb 0.33 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 3m62 h LEU 319 CO 0.00 0.66 0.21 0.58 0.09 0.00 0.00 178.44 179.98 3m62 h VAL 320 N 0.71 0.57 -0.29 1.22 2.07 -0.76 -1.34 116.25 118.43 3m62 h VAL 320 Ca 0.18 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 3m62 h VAL 320 Cb 0.15 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3m62 h VAL 320 CO -0.02 0.06 -0.37 -0.09 0.02 0.00 0.00 177.57 177.16 3m62 h ARG 321 N 0.32 0.68 0.00 1.57 2.43 0.23 -0.79 114.38 118.82 3m62 h ARG 321 Ca 0.40 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3m62 h ARG 321 Cb 0.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3m62 h ARG 321 CO -0.46 0.94 -0.14 0.74 -1.51 0.00 0.00 179.97 179.54 3m62 h PHE 322 N 0.56 0.00 0.02 2.20 -1.00 -0.36 -3.16 116.94 115.20 3m62 h PHE 322 Ca 0.05 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.57 3m62 h PHE 322 Cb 0.90 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.42 3m62 h PHE 322 CO 0.04 0.14 -1.39 0.77 -1.61 0.00 0.00 178.31 176.26 3m62 h SER 323 N 0.00 0.06 -0.91 2.17 0.02 -0.42 -3.39 113.55 111.08 3m62 h SER 323 Ca -0.00 -0.09 0.14 0.00 -0.84 0.00 0.00 61.79 60.99 3m62 h SER 323 Cb 0.38 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.76 3m62 h SER 323 CO 0.02 1.08 -0.37 0.00 -1.14 0.00 0.00 176.83 176.41 3m62 n GLN 324 N -3.24 -0.23 -0.03 3.45 6.02 -0.38 -1.85 117.38 121.11 3m62 n GLN 324 Ca -0.10 1.40 0.14 0.00 -0.01 0.00 0.00 57.00 58.43 3m62 n GLN 324 Cb 1.00 -2.08 0.56 0.00 1.02 0.00 0.00 30.24 30.74 3m62 n GLN 324 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3m62 h PRO 325 N 0.00 0.27 -0.51 -1.09 0.11 -1.79 -1.37 132.00 127.62 3m62 h PRO 325 Ca 0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3m62 h PRO 325 Cb 0.53 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3m62 h PRO 325 CO -0.90 0.18 0.00 1.97 -0.21 0.00 0.00 178.00 179.03 3m62 n PHE 326 N -4.46 0.69 -1.75 0.65 1.16 -0.77 -3.87 117.46 109.12 3m62 n PHE 326 Ca 0.09 -0.34 0.02 0.00 -1.87 0.00 0.00 57.45 55.35 3m62 n PHE 326 Cb 0.40 -0.01 0.03 0.00 -1.61 0.00 0.00 39.48 38.30 3m62 n PHE 326 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3m62 n LEU 327 N 0.98 0.56 -4.64 5.98 4.32 -0.54 -3.70 117.00 119.96 3m62 n LEU 327 Ca 0.17 -1.47 -0.29 0.00 -0.02 0.00 0.00 56.01 54.40 3m62 n LEU 327 Cb 0.43 -0.10 0.18 0.00 -1.62 0.00 0.00 43.42 42.32 3m62 n LEU 327 CO 0.12 0.35 0.62 1.51 -1.22 0.00 0.00 177.39 178.77 3m62 s ASP 328 N -1.41 2.56 0.18 -1.43 1.47 -1.08 -4.70 116.67 112.26 3m62 s ASP 328 Ca 0.07 1.51 0.14 0.00 1.18 0.00 0.00 52.55 55.45 3m62 s ASP 328 Cb 0.06 -2.18 0.71 0.00 -0.34 0.00 0.00 42.92 41.17 3m62 s ASP 328 CO 0.01 -3.22 1.42 2.30 0.68 0.00 0.00 175.17 176.36 3m62 n ILE 329 N -4.26 1.36 0.75 2.11 -5.35 -1.26 -1.27 119.36 111.44 3m62 n ILE 329 Ca 0.06 0.58 0.13 0.00 -0.27 0.00 0.00 62.75 63.24 3m62 n ILE 329 Cb 0.55 -1.55 0.31 0.00 -1.74 0.00 0.00 39.64 37.21 3m62 n ILE 329 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3m62 n SER 330 N -1.94 0.56 -1.46 7.28 3.41 -1.26 -4.93 113.62 115.28 3m62 n SER 330 Ca -0.00 0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3m62 n SER 330 Cb 0.05 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 3m62 n SER 330 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3m62 n TYR 331 N -1.89 -0.54 0.26 7.33 4.01 -0.40 -4.84 117.16 121.10 3m62 n TYR 331 Ca 0.05 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.94 3m62 n TYR 331 Cb 0.40 -2.44 0.63 0.00 -0.31 0.00 0.00 39.34 37.61 3m62 n TYR 331 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3m62 h LYS 332 N 0.00 0.00 -0.43 -0.72 1.57 -1.90 -2.50 116.57 112.59 3m62 h LYS 332 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3m62 h LYS 332 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3m62 h LYS 332 CO 0.35 0.06 0.00 1.63 -0.57 0.00 0.00 179.45 180.92 3m62 n LYS 333 N -3.18 2.48 0.17 3.15 5.02 -1.26 -4.60 118.16 119.93 3m62 n LYS 333 Ca 0.00 -2.24 0.06 0.00 -2.02 0.00 0.00 58.31 54.11 3m62 n LYS 333 Cb 0.33 -1.51 0.52 0.00 -0.02 0.00 0.00 35.03 34.35 3m62 n LYS 333 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3m62 h ILE 334 N 4.23 1.08 0.00 -0.18 2.10 -1.52 -1.23 117.51 121.99 3m62 h ILE 334 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 3m62 h ILE 334 Cb 0.94 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 3m62 h ILE 334 CO 0.00 0.10 0.00 -0.90 -1.08 0.00 0.00 178.15 176.27 3m62 n ASP 335 N -4.44 0.43 0.25 2.19 5.68 -1.26 -2.70 116.55 116.71 3m62 n ASP 335 Ca -0.01 0.59 0.10 0.00 -0.50 0.00 0.00 54.79 54.97 3m62 n ASP 335 Cb 0.14 -0.69 0.66 0.00 -1.14 0.00 0.00 41.12 40.09 3m62 n ASP 335 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3m62 h LYS 336 N 0.00 0.00 -5.94 0.11 1.79 -1.57 -3.42 116.57 107.54 3m62 h LYS 336 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 3m62 h LYS 336 Cb 0.39 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.98 3m62 h LYS 336 CO 0.00 0.14 0.32 0.42 -1.08 0.00 0.00 179.45 179.25 3m62 s ILE 337 N -4.34 4.92 -0.32 1.86 1.01 -1.10 -4.62 121.20 118.61 3m62 s ILE 337 Ca -0.03 1.58 -0.28 0.00 0.00 0.00 0.00 60.65 61.91 3m62 s ILE 337 Cb 0.14 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3m62 s ILE 337 CO 0.62 0.07 1.03 -0.62 0.00 0.00 0.00 174.94 176.04 3m62 s ASP 338 N 1.11 6.88 0.54 3.58 2.15 -1.26 -4.89 116.67 124.77 3m62 s ASP 338 Ca 0.38 0.96 0.30 0.00 0.43 0.00 0.00 52.55 54.62 3m62 s ASP 338 Cb -0.17 -2.52 1.51 0.00 -0.30 0.00 0.00 42.92 41.44 3m62 s ASP 338 CO 0.13 -0.85 2.07 0.00 -0.17 0.00 0.00 175.17 176.35 3m62 h ALA 339 N 8.14 1.18 -0.51 3.66 0.00 -1.94 -2.37 119.26 127.42 3m62 h ALA 339 Ca -0.21 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 3m62 h ALA 339 Cb 1.07 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3m62 h ALA 339 CO 1.01 0.12 0.23 0.09 0.00 0.00 0.00 179.25 180.70 3m62 n ASN 340 N -3.46 3.72 -0.28 0.00 3.02 -1.26 -4.46 115.26 112.55 3m62 n ASN 340 Ca -0.01 -2.82 0.11 0.00 -0.03 0.00 0.00 54.58 51.83 3m62 n ASN 340 Cb 0.25 -0.67 0.36 0.00 -0.61 0.00 0.00 39.78 39.10 3m62 n ASN 340 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3m62 h TYR 341 N 1.50 0.85 -0.59 3.10 3.20 -1.81 -1.39 116.97 121.83 3m62 h TYR 341 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3m62 h TYR 341 Cb 1.84 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.84 3m62 h TYR 341 CO 0.86 0.33 0.00 1.19 -1.64 0.00 0.00 178.16 178.90 3m62 n PHE 342 N -4.56 1.27 0.08 -3.82 3.72 -1.26 -4.26 117.46 108.63 3m62 n PHE 342 Ca 0.17 -0.61 -0.13 0.00 -0.05 0.00 0.00 57.45 56.83 3m62 n PHE 342 Cb 0.44 -0.20 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 3m62 n PHE 342 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3m62 h ASN 343 N 3.66 0.40 -3.54 4.37 -0.26 -1.56 -3.44 115.58 115.21 3m62 h ASN 343 Ca 0.00 -0.36 -0.51 0.00 -0.56 0.00 0.00 56.30 54.86 3m62 h ASN 343 Cb 1.33 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 38.44 3m62 h ASN 343 CO 0.18 1.21 -0.01 0.54 -1.06 0.00 0.00 177.43 178.29 3m62 s ASN 344 N -7.05 6.61 0.26 5.81 4.22 -1.21 -3.32 114.94 120.26 3m62 s ASN 344 Ca -0.04 1.03 -0.29 0.00 -2.14 0.00 0.00 52.86 51.42 3m62 s ASN 344 Cb 0.09 -2.27 -0.14 0.00 1.28 0.00 0.00 41.25 40.20 3m62 s ASN 344 CO 0.86 -0.21 1.08 -2.65 -2.04 0.00 0.00 177.10 174.14 3m62 n PRO 345 N -0.61 1.39 -2.39 3.55 -0.02 -1.26 -4.89 135.00 130.76 3m62 n PRO 345 Ca 0.01 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 3m62 n PRO 345 Cb 0.53 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 3m62 n PRO 345 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3m62 s SER 346 N -0.38 7.11 -0.11 2.55 0.15 -1.26 -4.98 113.70 116.77 3m62 s SER 346 Ca 0.62 2.21 -0.06 0.00 0.70 0.00 0.00 55.95 59.42 3m62 s SER 346 Cb -0.72 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 60.93 3m62 s SER 346 CO 0.58 -0.36 0.11 -0.07 1.20 0.00 0.00 173.24 174.70 3m62 h LEU 347 N 5.26 0.00 0.00 3.45 3.38 -1.93 -3.45 115.31 122.02 3m62 h LEU 347 Ca -0.44 -0.18 -0.25 0.00 0.09 0.00 0.00 57.88 57.10 3m62 h LEU 347 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3m62 h LEU 347 CO 0.74 0.64 -1.55 0.49 0.09 0.00 0.00 178.44 178.85 3m62 n PHE 348 N -4.72 0.57 -2.16 1.13 3.72 -1.26 -4.85 117.46 109.88 3m62 n PHE 348 Ca -0.03 0.24 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 3m62 n PHE 348 Cb 0.13 -0.96 -0.03 0.00 -0.94 0.00 0.00 39.48 37.68 3m62 n PHE 348 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3m62 s ILE 349 N -2.45 3.45 -0.32 4.37 1.01 -1.26 -4.79 121.20 121.21 3m62 s ILE 349 Ca -0.30 0.95 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 3m62 s ILE 349 Cb 0.08 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.95 3m62 s ILE 349 CO 0.49 0.03 1.27 -0.62 0.00 0.00 0.00 174.94 176.11 3m62 s ASP 350 N 1.62 6.68 0.00 3.58 3.68 -1.26 -4.77 116.67 126.20 3m62 s ASP 350 Ca 0.65 1.12 0.24 0.00 2.13 0.00 0.00 52.55 56.69 3m62 s ASP 350 Cb -0.35 -2.54 0.39 0.00 -1.45 0.00 0.00 42.92 38.97 3m62 s ASP 350 CO 0.29 -1.09 1.38 0.18 0.13 0.00 0.00 175.17 176.06 3m62 n LEU 351 N 7.62 3.22 -4.70 -1.34 4.77 -1.26 -4.94 117.00 120.36 3m62 n LEU 351 Ca 0.14 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 3m62 n LEU 351 Cb 0.47 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3m62 n LEU 351 CO 0.64 0.65 1.39 -0.94 -1.33 0.00 0.00 177.39 177.79 3m62 s SER 352 N -1.65 6.46 0.00 -1.43 1.04 -1.26 -1.48 113.70 115.38 3m62 s SER 352 Ca 0.36 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.52 3m62 s SER 352 Cb 0.22 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.76 3m62 s SER 352 CO 0.31 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3m62 n GLY 353 N 4.05 1.08 3.63 7.32 0.00 -1.26 -5.01 105.19 115.00 3m62 n GLY 353 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3m62 n GLY 353 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m62 s GLU 354 N -0.32 4.08 0.33 1.61 0.41 -0.55 -5.01 118.70 119.24 3m62 s GLU 354 Ca 0.00 0.87 -0.29 0.00 -0.41 0.00 0.00 54.97 55.14 3m62 s GLU 354 Cb 0.00 -3.70 -0.12 0.00 -1.78 0.00 0.00 34.13 28.54 3m62 s GLU 354 CO 0.00 -0.68 1.51 2.41 -0.49 0.00 0.00 175.26 178.01 3m62 n THR 355 N 5.51 1.49 -2.94 3.63 -1.04 -1.26 -4.88 114.28 114.79 3m62 n THR 355 Ca 0.07 -0.37 -0.19 0.00 -2.04 0.00 0.00 64.05 61.52 3m62 n THR 355 Cb 0.47 -1.88 0.02 0.00 -1.82 0.00 0.00 70.33 67.12 3m62 n THR 355 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3m62 s ARG 356 N -1.24 2.78 0.10 -2.82 1.81 -1.26 -0.09 118.95 118.24 3m62 s ARG 356 Ca 0.59 -1.02 -0.17 0.00 -1.72 0.00 0.00 55.73 53.41 3m62 s ARG 356 Cb -0.51 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.27 3m62 s ARG 356 CO 0.56 -0.37 1.57 -0.07 -0.68 0.00 0.00 175.30 176.30 3m62 h LEU 357 N 0.47 0.51 -5.38 2.53 3.38 -0.98 -3.39 115.31 112.46 3m62 h LEU 357 Ca -0.42 -0.27 -0.34 0.00 0.09 0.00 0.00 57.88 56.94 3m62 h LEU 357 Cb 1.28 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.66 3m62 h LEU 357 CO 0.49 0.65 -0.72 -3.20 0.09 0.00 0.00 178.44 175.75 3m62 n ASN 358 N -4.60 -1.55 -3.56 -0.43 5.15 -0.71 -1.65 115.26 107.92 3m62 n ASN 358 Ca -0.02 -3.20 -0.07 0.00 -0.60 0.00 0.00 54.58 50.68 3m62 n ASN 358 Cb 0.23 0.93 -0.03 0.00 -0.53 0.00 0.00 39.78 40.38 3m62 n ASN 358 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3m62 s SER 359 N -1.57 -0.28 0.40 1.20 0.15 -1.24 -4.79 113.70 107.56 3m62 s SER 359 Ca 0.32 0.10 0.08 0.00 0.70 0.00 0.00 55.95 57.15 3m62 s SER 359 Cb 0.24 0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 3m62 s SER 359 CO -0.15 -0.41 0.19 1.51 1.20 0.00 0.00 173.24 175.58 3m62 s ASP 360 N -1.97 4.50 0.16 5.45 3.84 -1.26 -4.12 116.67 123.26 3m62 s ASP 360 Ca 0.05 -1.01 -0.27 0.00 -0.00 0.00 0.00 52.55 51.31 3m62 s ASP 360 Cb -0.01 -0.52 0.00 0.00 -1.38 0.00 0.00 42.92 41.02 3m62 s ASP 360 CO -0.05 -0.51 1.57 -0.26 -0.00 0.00 0.00 175.17 175.91 3m62 h PHE 361 N 1.42 -1.33 0.00 2.11 0.04 -1.99 -2.32 116.94 114.86 3m62 h PHE 361 Ca -0.43 0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.42 3m62 h PHE 361 Cb 1.25 0.65 0.00 0.00 2.20 0.00 0.00 35.95 40.06 3m62 h PHE 361 CO 0.62 -0.44 0.00 1.63 -0.60 0.00 0.00 178.31 179.52 3m62 n LYS 362 N -5.40 0.00 -0.23 1.51 5.02 -1.26 -1.21 118.16 116.59 3m62 n LYS 362 Ca 0.00 0.39 -0.05 0.00 -2.02 0.00 0.00 58.31 56.63 3m62 n LYS 362 Cb 0.35 -0.60 0.11 0.00 -0.02 0.00 0.00 35.03 34.87 3m62 n LYS 362 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3m62 h GLU 363 N 0.00 1.06 -0.17 1.97 5.08 -1.87 -1.99 114.58 118.67 3m62 h GLU 363 Ca 0.00 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3m62 h GLU 363 Cb 0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3m62 h GLU 363 CO 0.00 0.90 -0.02 0.00 -1.00 0.00 0.00 179.01 178.88 3m62 h ALA 364 N 1.22 0.23 -0.90 3.43 0.00 -1.01 0.47 119.26 122.70 3m62 h ALA 364 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3m62 h ALA 364 Cb 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3m62 h ALA 364 CO -0.01 -0.03 0.49 -0.44 0.00 0.00 0.00 179.25 179.25 3m62 h ASP 365 N 0.03 1.13 -0.56 0.00 3.32 -1.14 -0.73 116.42 118.47 3m62 h ASP 365 Ca 0.04 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.05 3m62 h ASP 365 Cb 0.44 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 3m62 h ASP 365 CO 0.01 0.91 0.26 0.00 -1.72 0.00 0.00 179.24 178.70 3m62 h ALA 366 N 1.27 0.72 -0.71 3.45 0.00 -1.04 -2.69 119.26 120.26 3m62 h ALA 366 Ca 0.32 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.28 3m62 h ALA 366 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3m62 h ALA 366 CO -0.05 -0.10 0.47 0.35 0.00 0.00 0.00 179.25 179.91 3m62 h PHE 367 N 0.50 0.89 -0.72 0.00 3.04 0.86 -2.09 116.94 119.41 3m62 h PHE 367 Ca 0.26 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.36 3m62 h PHE 367 Cb 0.22 -0.30 -0.09 0.00 2.56 0.00 0.00 35.95 38.34 3m62 h PHE 367 CO -0.12 0.55 0.29 1.88 -2.02 0.00 0.00 178.31 178.88 3m62 h TYR 368 N 0.95 0.49 0.72 0.41 0.99 -0.94 0.28 116.97 119.87 3m62 h TYR 368 Ca 0.27 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 61.00 3m62 h TYR 368 Cb -0.08 -0.11 0.01 0.00 1.00 0.00 0.00 36.73 37.55 3m62 h TYR 368 CO -0.03 0.08 -0.35 -0.44 -0.00 0.00 0.00 178.16 177.43 3m62 h ASP 369 N 0.45 -0.82 -0.89 3.88 5.19 -1.07 0.83 116.42 123.98 3m62 h ASP 369 Ca 0.39 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.83 3m62 h ASP 369 Cb 0.55 0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.23 3m62 h ASP 369 CO -0.37 -0.58 0.58 0.50 -3.12 0.00 0.00 179.24 176.26 3m62 h LYS 370 N -1.00 1.14 0.00 3.56 3.64 -1.38 -3.37 116.57 119.17 3m62 h LYS 370 Ca -0.10 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 3m62 h LYS 370 Cb 0.75 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3m62 h LYS 370 CO 0.16 0.76 -0.77 -0.91 -2.27 0.00 0.00 179.45 176.42 3m62 h ASN 371 N 1.18 0.00 0.00 4.20 4.21 -0.16 -3.48 115.58 121.53 3m62 h ASN 371 Ca 0.33 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.42 3m62 h ASN 371 Cb -0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 3m62 h ASN 371 CO -0.08 1.15 0.00 -1.14 -1.29 0.00 0.00 177.43 176.07 3m62 n ARG 372 N -4.54 0.00 -0.12 0.81 0.63 0.29 -4.89 116.66 108.84 3m62 n ARG 372 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 3m62 n ARG 372 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 3m62 n ARG 372 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3m62 n LYS 373 N 1.69 0.00 0.00 -0.14 4.81 -1.26 -3.33 118.16 119.93 3m62 n LYS 373 Ca 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3m62 n LYS 373 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3m62 n LYS 373 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3m62 n THR 374 N 1.54 0.00 -1.67 3.15 -2.24 -1.26 -4.95 114.28 108.85 3m62 n THR 374 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3m62 n THR 374 Cb 0.00 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 3m62 n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m62 n ALA 375 N -3.00 0.89 -0.16 6.98 0.00 -1.26 -4.18 120.51 119.79 3m62 n ALA 375 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3m62 n ALA 375 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 3m62 n ALA 375 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m62 n ASP 376 N 0.60 0.00 0.00 0.00 8.00 -1.26 -4.75 116.55 119.14 3m62 n ASP 376 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3m62 n ASP 376 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3m62 n ASP 376 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3m62 n SER 377 N 0.45 0.00 -4.81 -2.24 2.88 -1.26 -4.70 113.62 103.93 3m62 n SER 377 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 3m62 n SER 377 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 3m62 n SER 377 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3m62 s LYS 378 N 0.00 2.42 0.00 -1.46 3.01 -1.26 -4.96 119.74 117.50 3m62 s LYS 378 Ca 0.00 -1.62 0.00 0.00 -1.01 0.00 0.00 55.97 53.34 3m62 s LYS 378 Cb 0.00 -2.23 0.00 0.00 -1.01 0.00 0.00 37.83 34.59 3m62 s LYS 378 CO 0.00 -0.11 0.00 -0.35 0.51 0.00 0.00 175.35 175.40 3m62 n PRO 379 N -1.38 1.93 -0.33 -1.68 -0.04 -1.26 -5.14 135.00 127.09 3m62 n PRO 379 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3m62 n PRO 379 Cb 0.62 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 3m62 n PRO 379 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3m62 n ASN 380 N -1.79 -0.89 0.09 3.54 5.15 -1.26 -4.72 115.26 115.38 3m62 n ASN 380 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 3m62 n ASN 380 Cb 0.36 -0.45 -0.07 0.00 -0.53 0.00 0.00 39.78 39.09 3m62 n ASN 380 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3m62 h PHE 381 N 0.00 -0.12 -0.67 1.20 3.57 -1.98 -1.40 116.94 117.54 3m62 h PHE 381 Ca 0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 3m62 h PHE 381 Cb 0.00 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.67 3m62 h PHE 381 CO 0.00 -0.07 -0.00 0.82 -2.23 0.00 0.00 178.31 176.82 3m62 h ILE 382 N -0.14 0.44 -0.30 1.41 2.04 -1.93 0.49 117.51 119.52 3m62 h ILE 382 Ca -0.01 -0.04 -0.15 0.00 1.00 0.00 0.00 64.86 65.66 3m62 h ILE 382 Cb 0.10 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3m62 h ILE 382 CO 0.02 0.02 -0.43 0.28 0.00 0.00 0.00 178.15 178.05 3m62 h SER 383 N 0.11 0.80 -0.13 1.72 0.02 -1.74 -0.26 113.55 114.07 3m62 h SER 383 Ca 0.35 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3m62 h SER 383 Cb 0.59 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3m62 h SER 383 CO -0.58 1.12 0.07 0.44 -1.14 0.00 0.00 176.83 176.74 3m62 h ASP 384 N 0.61 0.17 -0.39 3.07 3.32 -0.45 -2.41 116.42 120.34 3m62 h ASP 384 Ca 0.04 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3m62 h ASP 384 Cb 0.98 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3m62 h ASP 384 CO 0.09 0.24 0.24 0.00 -1.72 0.00 0.00 179.24 178.09 3m62 h PHE 386 N 0.51 -0.05 -0.13 0.00 3.57 -0.96 0.18 116.94 120.06 3m62 h PHE 386 Ca 0.14 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 3m62 h PHE 386 Cb -0.00 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3m62 h PHE 386 CO -0.04 -0.04 -0.62 0.74 -2.23 0.00 0.00 178.31 176.12 3m62 h PHE 387 N -0.02 0.60 -0.79 0.41 0.04 -1.35 -2.44 116.94 113.40 3m62 h PHE 387 Ca 0.03 -0.23 0.08 0.00 2.80 0.00 0.00 57.97 60.64 3m62 h PHE 387 Cb 0.06 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.04 3m62 h PHE 387 CO -0.12 0.96 0.45 1.25 -0.60 0.00 0.00 178.31 180.25 3m62 h LEU 388 N 0.34 0.65 -0.64 1.54 5.85 -1.06 -0.69 115.31 121.31 3m62 h LEU 388 Ca -0.01 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3m62 h LEU 388 Cb 1.17 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3m62 h LEU 388 CO 0.11 0.39 0.35 0.74 -0.34 0.00 0.00 178.44 179.69 3m62 h THR 389 N 0.78 0.96 -0.17 1.05 2.02 -0.25 -0.59 112.91 116.71 3m62 h THR 389 Ca 0.37 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 3m62 h THR 389 Cb 0.29 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3m62 h THR 389 CO -0.22 0.12 -0.13 -0.07 0.37 0.00 0.00 175.52 175.58 3m62 h LEU 390 N 0.65 0.25 -0.06 2.58 3.38 -0.94 0.89 115.31 122.06 3m62 h LEU 390 Ca 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3m62 h LEU 390 Cb 0.19 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3m62 h LEU 390 CO -0.18 0.41 0.01 0.74 0.09 0.00 0.00 178.44 179.51 3m62 h THR 391 N 0.25 1.23 -0.23 0.22 2.02 -0.25 -2.90 112.91 113.25 3m62 h THR 391 Ca 0.05 -0.71 -0.11 0.00 0.77 0.00 0.00 66.41 66.42 3m62 h THR 391 Cb 0.39 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3m62 h THR 391 CO 0.02 0.20 -0.31 1.88 0.37 0.00 0.00 175.52 177.68 3m62 h TYR 392 N -0.15 0.54 -0.80 3.16 -1.99 -0.80 -0.98 116.97 115.95 3m62 h TYR 392 Ca 0.02 -0.13 0.13 0.00 2.00 0.00 0.00 58.73 60.75 3m62 h TYR 392 Cb 0.30 -0.13 -0.06 0.00 2.00 0.00 0.00 36.73 38.85 3m62 h TYR 392 CO 0.02 0.73 0.53 1.25 -0.00 0.00 0.00 178.16 180.69 3m62 h LEU 393 N 0.41 0.56 0.00 3.88 5.85 -0.67 1.16 115.31 126.50 3m62 h LEU 393 Ca 0.05 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3m62 h LEU 393 Cb 0.75 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3m62 h LEU 393 CO 0.06 0.30 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.62 3m62 h HIS 394 N 0.60 0.00 0.00 1.25 2.76 -1.29 0.60 115.15 119.07 3m62 h HIS 394 Ca 0.39 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.34 3m62 h HIS 394 Cb 0.66 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 3m62 h HIS 394 CO -0.00 0.15 -1.11 1.88 -1.30 0.00 0.00 177.93 177.55 3m62 h TYR 395 N -1.00 0.00 0.00 5.26 0.05 -1.13 -2.73 116.97 117.43 3m62 h TYR 395 Ca -0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3m62 h TYR 395 Cb 0.22 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3m62 h TYR 395 CO 0.00 1.00 0.00 0.41 -1.05 0.00 0.00 178.16 178.52 3m62 n GLY 396 N 1.38 1.59 0.29 3.88 0.00 0.40 -3.41 105.19 109.32 3m62 n GLY 396 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3m62 n GLY 396 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m62 h LEU 397 N 0.00 0.34 -1.47 0.99 3.38 -1.51 -2.06 115.31 114.98 3m62 h LEU 397 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3m62 h LEU 397 Cb 0.00 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3m62 h LEU 397 CO 0.00 0.10 0.23 1.23 0.09 0.00 0.00 178.44 180.08 3m62 h GLY 398 N 0.47 0.62 2.00 0.83 0.00 -0.56 -0.30 103.07 106.14 3m62 h GLY 398 Ca 0.47 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 3m62 h GLY 398 CO -0.43 0.25 -0.43 -1.33 0.00 0.00 0.00 176.54 174.60 3m62 h GLY 399 N 0.67 0.00 1.06 4.60 0.00 -1.26 -2.94 103.07 105.20 3m62 h GLY 399 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.27 3m62 h GLY 399 CO -0.02 0.00 -0.82 -0.84 0.00 0.00 0.00 176.54 174.85 3m62 h THR 400 N 0.00 1.32 -0.04 4.70 2.02 -0.62 -2.66 112.91 117.63 3m62 h THR 400 Ca -0.00 -2.10 -0.19 0.00 0.77 0.00 0.00 66.41 64.88 3m62 h THR 400 Cb 1.06 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 3m62 h THR 400 CO 0.06 0.64 -0.79 0.17 0.37 0.00 0.00 175.52 175.97 3m62 h LEU 401 N 0.27 0.41 -0.53 2.58 8.10 -1.20 -2.57 115.31 122.36 3m62 h LEU 401 Ca -0.09 -0.29 -0.14 0.00 0.11 0.00 0.00 57.88 57.47 3m62 h LEU 401 Cb 1.49 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 41.57 3m62 h LEU 401 CO 0.16 1.04 -0.30 0.77 -4.11 0.00 0.00 178.44 176.01 3m62 h SER 402 N 0.22 0.90 -0.42 0.17 4.64 -1.62 0.59 113.55 118.03 3m62 h SER 402 Ca -0.04 -0.37 0.08 0.00 -0.47 0.00 0.00 61.79 60.99 3m62 h SER 402 Cb 1.37 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 63.13 3m62 h SER 402 CO 0.13 1.13 -0.11 0.15 -0.87 0.00 0.00 176.83 177.26 3m62 h PHE 403 N 0.73 -0.23 -0.15 4.77 3.57 -1.39 -2.65 116.94 121.59 3m62 h PHE 403 Ca 0.08 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 3m62 h PHE 403 Cb 0.86 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3m62 h PHE 403 CO 0.05 -0.19 -0.44 1.49 -2.23 0.00 0.00 178.31 176.99 3m62 h GLU 404 N -0.00 0.36 -0.68 1.11 4.22 -1.03 -3.21 114.58 115.35 3m62 h GLU 404 Ca 0.20 -0.19 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 3m62 h GLU 404 Cb 0.31 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3m62 h GLU 404 CO -0.44 0.74 0.20 1.49 -2.18 0.00 0.00 179.01 178.82 3m62 h GLU 405 N 0.29 1.05 0.00 1.92 4.81 -0.54 -2.62 114.58 119.49 3m62 h GLU 405 Ca 0.02 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3m62 h GLU 405 Cb 0.90 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.13 3m62 h GLU 405 CO 0.07 0.90 0.00 1.63 -0.73 0.00 0.00 179.01 180.89 3m62 n LYS 406 N -4.26 0.03 -0.01 1.92 5.02 -1.09 -4.12 118.16 115.66 3m62 n LYS 406 Ca 0.05 0.10 -0.02 0.00 -2.02 0.00 0.00 58.31 56.42 3m62 n LYS 406 Cb 0.23 -1.55 0.25 0.00 -0.02 0.00 0.00 35.03 33.94 3m62 n LYS 406 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3m62 h MET 407 N 0.00 0.55 -0.85 1.97 2.86 -1.54 -2.46 114.93 115.45 3m62 h MET 407 Ca 0.00 -0.15 0.13 0.00 -2.06 0.00 0.00 59.70 57.62 3m62 h MET 407 Cb 0.46 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 3m62 h MET 407 CO 0.00 0.63 0.46 0.78 1.06 0.00 0.00 176.91 179.84 3m62 h GLY 408 N 0.91 1.37 1.48 8.32 0.00 -1.78 -0.65 103.07 112.72 3m62 h GLY 408 Ca 0.10 -0.28 -0.23 0.00 0.00 0.00 0.00 47.33 46.92 3m62 h GLY 408 CO 0.02 0.03 -0.94 1.76 0.00 0.00 0.00 176.54 177.41 3m62 h SER 409 N 0.70 0.61 -0.66 0.19 0.02 -1.79 -2.67 113.55 109.95 3m62 h SER 409 Ca 0.45 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3m62 h SER 409 Cb 0.56 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3m62 h SER 409 CO -0.32 1.27 0.38 -0.33 -1.14 0.00 0.00 176.83 176.69 3m62 h GLU 410 N 0.27 0.90 0.02 3.45 5.08 -0.89 -2.19 114.58 121.22 3m62 h GLU 410 Ca -0.08 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3m62 h GLU 410 Cb 1.58 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3m62 h GLU 410 CO 0.17 0.66 -0.01 0.82 -1.00 0.00 0.00 179.01 179.65 3m62 h ILE 411 N 0.89 1.18 -0.44 3.13 2.04 -1.17 -1.01 117.51 122.13 3m62 h ILE 411 Ca 0.23 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3m62 h ILE 411 Cb 0.00 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3m62 h ILE 411 CO -0.04 0.15 0.24 0.50 0.00 0.00 0.00 178.15 179.00 3m62 h LYS 412 N -0.27 0.47 -0.45 2.37 3.64 -1.48 0.13 116.57 120.98 3m62 h LYS 412 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3m62 h LYS 412 Cb 0.26 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3m62 h LYS 412 CO 0.00 0.31 0.28 0.00 -2.27 0.00 0.00 179.45 177.78 3m62 h ALA 413 N 1.22 0.57 -0.46 5.00 0.00 -1.33 -2.21 119.26 122.05 3m62 h ALA 413 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3m62 h ALA 413 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3m62 h ALA 413 CO -0.11 0.04 0.29 1.25 0.00 0.00 0.00 179.25 180.73 3m62 h LEU 414 N 0.60 0.54 -1.11 0.00 5.85 -0.69 -0.94 115.31 119.56 3m62 h LEU 414 Ca 0.16 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3m62 h LEU 414 Cb -0.03 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3m62 h LEU 414 CO -0.03 0.41 0.61 0.11 -0.34 0.00 0.00 178.44 179.20 3m62 h LYS 415 N 0.62 1.02 -0.36 1.25 1.57 -0.62 -1.22 116.57 118.83 3m62 h LYS 415 Ca 0.17 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 3m62 h LYS 415 Cb -0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3m62 h LYS 415 CO -0.03 0.68 -0.32 0.93 -0.57 0.00 0.00 179.45 180.13 3m62 h GLU 416 N 1.05 0.85 -0.53 3.15 5.08 -0.68 -1.47 114.58 122.03 3m62 h GLU 416 Ca 0.41 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3m62 h GLU 416 Cb 0.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3m62 h GLU 416 CO -0.16 1.08 0.05 0.93 -1.00 0.00 0.00 179.01 179.90 3m62 h GLU 417 N 0.65 0.91 -0.56 2.33 4.39 -0.93 -0.97 114.58 120.40 3m62 h GLU 417 Ca 0.06 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 3m62 h GLU 417 Cb 0.90 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 3m62 h GLU 417 CO 0.08 0.90 0.28 0.82 -1.16 0.00 0.00 179.01 179.94 3m62 h ILE 418 N 0.79 1.20 -0.75 3.13 2.04 -1.17 -0.67 117.51 122.07 3m62 h ILE 418 Ca 0.16 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3m62 h ILE 418 Cb 0.46 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3m62 h ILE 418 CO 0.02 0.22 0.44 -0.08 0.00 0.00 0.00 178.15 178.75 3m62 h GLU 419 N 0.76 1.02 -0.35 2.37 4.81 -1.06 0.29 114.58 122.42 3m62 h GLU 419 Ca 0.19 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3m62 h GLU 419 Cb 0.09 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3m62 h GLU 419 CO -0.03 0.73 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.75 3m62 h LYS 420 N 1.02 0.63 0.00 1.92 3.64 -0.74 -2.95 116.57 120.10 3m62 h LYS 420 Ca 0.27 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3m62 h LYS 420 Cb -0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3m62 h LYS 420 CO -0.05 0.76 -0.26 0.28 -2.27 0.00 0.00 179.45 177.91 3m62 h VAL 421 N 0.44 0.82 0.00 2.00 2.07 -0.69 -0.62 116.25 120.27 3m62 h VAL 421 Ca 0.10 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3m62 h VAL 421 Cb 0.48 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3m62 h VAL 421 CO 0.02 0.26 0.00 0.11 0.02 0.00 0.00 177.57 177.98 3m62 h LYS 422 N 0.00 0.00 0.00 1.57 1.57 -0.77 -2.52 116.57 116.42 3m62 h LYS 422 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m62 h LYS 422 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3m62 h LYS 422 CO 0.03 0.00 -0.24 1.63 -0.57 0.00 0.00 179.45 180.30 3m62 n LYS 423 N -2.81 0.11 -2.26 3.15 5.02 -0.24 -4.87 118.16 116.27 3m62 n LYS 423 Ca -0.00 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3m62 n LYS 423 Cb 0.19 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3m62 n LYS 423 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3m62 s ILE 424 N -3.05 3.71 -0.59 -0.18 1.01 -0.95 -4.96 121.20 116.18 3m62 s ILE 424 Ca 0.11 1.15 -0.22 0.00 0.00 0.00 0.00 60.65 61.69 3m62 s ILE 424 Cb 0.16 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.95 3m62 s ILE 424 CO 0.62 0.03 0.90 0.00 0.00 0.00 0.00 174.94 176.49 3m62 s ALA 425 N 1.87 3.18 -0.78 9.38 0.00 -1.26 -5.01 121.76 129.14 3m62 s ALA 425 Ca 0.63 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 3m62 s ALA 425 Cb -0.32 -3.72 0.19 0.00 0.00 0.00 0.00 23.12 19.27 3m62 s ALA 425 CO 0.27 -2.50 0.75 0.00 0.00 0.00 0.00 175.76 174.29 3m62 s ALA 426 N 3.75 3.93 0.45 0.00 0.00 -1.26 -4.93 121.76 123.72 3m62 s ALA 426 Ca 0.24 -3.11 0.21 0.00 0.00 0.00 0.00 51.96 49.29 3m62 s ALA 426 Cb -0.16 -3.52 1.27 0.00 0.00 0.00 0.00 23.12 20.71 3m62 s ALA 426 CO 0.14 -2.30 2.06 -0.91 0.00 0.00 0.00 175.76 174.74 3m62 h ASN 427 N 8.09 0.00 -3.26 0.00 4.21 -1.97 -3.40 115.58 119.25 3m62 h ASN 427 Ca 0.03 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.95 3m62 h ASN 427 Cb 1.05 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 38.14 3m62 h ASN 427 CO 0.84 0.13 -0.40 -2.28 -1.29 0.00 0.00 177.43 174.44 3m62 s HIS 428 N -4.49 3.45 0.23 1.19 2.46 -1.26 -4.98 115.29 111.89 3m62 s HIS 428 Ca -0.04 0.49 -0.07 0.00 0.47 0.00 0.00 55.06 55.92 3m62 s HIS 428 Cb 0.15 -2.25 0.30 0.00 -0.13 0.00 0.00 32.58 30.64 3m62 s HIS 428 CO 0.64 0.28 1.84 0.22 -2.47 0.00 0.00 174.74 175.24 3m62 h ASP 429 N 6.60 0.73 -0.21 9.88 1.82 -1.99 0.43 116.42 133.68 3m62 h ASP 429 Ca -0.42 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.24 3m62 h ASP 429 Cb 1.16 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 3m62 h ASP 429 CO 0.75 0.47 0.11 0.58 -1.61 0.00 0.00 179.24 179.54 3m62 h VAL 430 N 0.87 1.12 -0.57 2.25 2.07 -1.97 -0.25 116.25 119.77 3m62 h VAL 430 Ca 0.35 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3m62 h VAL 430 Cb 0.18 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3m62 h VAL 430 CO -0.18 0.12 0.25 0.15 0.02 0.00 0.00 177.57 177.93 3m62 h PHE 431 N 0.22 0.84 -1.01 1.57 3.57 -1.73 -0.85 116.94 119.55 3m62 h PHE 431 Ca 0.07 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3m62 h PHE 431 Cb 0.09 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 3m62 h PHE 431 CO -0.03 0.66 0.67 0.00 -2.23 0.00 0.00 178.31 177.38 3m62 h ALA 432 N 1.09 1.29 -0.70 2.41 0.00 -0.05 0.79 119.26 124.10 3m62 h ALA 432 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3m62 h ALA 432 Cb 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3m62 h ALA 432 CO -0.02 0.65 0.23 0.00 0.00 0.00 0.00 179.25 180.10 3m62 h ARG 433 N 1.35 1.08 -0.09 0.00 3.08 -0.68 -2.63 114.38 116.49 3m62 h ARG 433 Ca 0.38 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3m62 h ARG 433 Cb -0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 3m62 h ARG 433 CO -0.09 0.92 -0.07 0.35 -1.07 0.00 0.00 179.97 180.01 3m62 h PHE 434 N 1.02 -0.17 -0.71 3.04 3.57 -0.01 -1.18 116.94 122.50 3m62 h PHE 434 Ca 0.23 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3m62 h PHE 434 Cb 0.29 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3m62 h PHE 434 CO 0.02 -0.11 0.34 0.82 -2.23 0.00 0.00 178.31 177.15 3m62 h ILE 435 N -0.08 1.24 -0.11 1.41 1.08 -0.80 -0.17 117.51 120.07 3m62 h ILE 435 Ca 0.06 -0.67 -0.14 0.00 -0.39 0.00 0.00 64.86 63.71 3m62 h ILE 435 Cb 0.17 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3m62 h ILE 435 CO -0.14 0.28 -0.55 0.74 -0.69 0.00 0.00 178.15 177.79 3m62 h THR 436 N 1.00 1.35 -0.58 -0.27 2.02 -1.28 0.17 112.91 115.32 3m62 h THR 436 Ca 0.24 -1.85 -0.08 0.00 0.77 0.00 0.00 66.41 65.49 3m62 h THR 436 Cb 0.13 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3m62 h THR 436 CO -0.03 0.55 0.03 0.00 0.37 0.00 0.00 175.52 176.44 3m62 h ALA 437 N 1.16 0.95 -0.19 6.16 0.00 -0.78 0.13 119.26 126.67 3m62 h ALA 437 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3m62 h ALA 437 Cb 1.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3m62 h ALA 437 CO 0.09 0.64 -0.14 1.96 0.00 0.00 0.00 179.25 181.80 3m62 h GLN 438 N 0.91 0.44 -0.93 0.00 1.08 -0.48 -0.95 115.11 115.19 3m62 h GLN 438 Ca 0.17 -0.21 0.06 0.00 -1.45 0.00 0.00 58.65 57.22 3m62 h GLN 438 Cb 0.50 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.86 3m62 h GLN 438 CO 0.02 0.76 0.59 -0.07 -0.95 0.00 0.00 178.83 179.19 3m62 h LEU 439 N 0.11 0.94 -0.31 1.46 3.38 -0.55 -1.19 115.31 119.14 3m62 h LEU 439 Ca 0.04 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 3m62 h LEU 439 Cb 0.66 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3m62 h LEU 439 CO 0.04 0.60 -0.83 0.77 0.09 0.00 0.00 178.44 179.11 3m62 h SER 440 N 1.07 0.43 -0.57 -0.43 4.64 -0.57 -0.29 113.55 117.84 3m62 h SER 440 Ca 0.40 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 3m62 h SER 440 Cb 0.17 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3m62 h SER 440 CO -0.17 1.09 -0.00 0.50 -0.87 0.00 0.00 176.83 177.37 3m62 h LYS 441 N 0.22 1.00 -0.57 4.77 3.64 -0.85 -1.72 116.57 123.05 3m62 h LYS 441 Ca -0.05 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 58.91 3m62 h LYS 441 Cb 1.43 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 3m62 h LYS 441 CO 0.14 1.00 -0.02 0.52 -2.27 0.00 0.00 179.45 178.82 3m62 h MET 442 N 0.89 1.02 -0.94 1.90 2.86 -0.99 -1.98 114.93 117.68 3m62 h MET 442 Ca 0.16 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3m62 h MET 442 Cb 0.55 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.07 3m62 h MET 442 CO 0.03 1.02 0.63 0.93 1.06 0.00 0.00 176.91 180.58 3m62 h GLU 443 N 0.91 1.24 0.04 1.72 5.08 -0.89 0.85 114.58 123.53 3m62 h GLU 443 Ca 0.16 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3m62 h GLU 443 Cb 0.58 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3m62 h GLU 443 CO 0.03 0.82 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.62 3m62 h LYS 444 N 1.28 -0.06 -0.94 2.33 3.64 -1.25 -0.08 116.57 121.49 3m62 h LYS 444 Ca 0.35 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.83 3m62 h LYS 444 Cb -0.14 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.62 3m62 h LYS 444 CO -0.08 0.12 0.58 0.00 -2.27 0.00 0.00 179.45 177.81 3m62 h ALA 445 N 0.72 1.37 -0.59 5.00 0.00 -0.92 -0.90 119.26 123.94 3m62 h ALA 445 Ca -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3m62 h ALA 445 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3m62 h ALA 445 CO 0.01 0.22 0.09 1.25 0.00 0.00 0.00 179.25 180.82 3m62 h LEU 446 N 0.96 0.94 -0.60 0.00 5.85 -0.45 -0.43 115.31 121.58 3m62 h LEU 446 Ca 0.45 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3m62 h LEU 446 Cb 0.38 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3m62 h LEU 446 CO -0.24 0.97 0.03 0.50 -0.34 0.00 0.00 178.44 179.36 3m62 h LYS 447 N 0.88 1.04 -0.27 1.25 3.64 -0.48 -0.02 116.57 122.60 3m62 h LYS 447 Ca 0.18 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3m62 h LYS 447 Cb 0.43 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3m62 h LYS 447 CO 0.01 1.00 0.14 1.15 -2.27 0.00 0.00 179.45 179.49 3m62 h THR 448 N 0.93 1.13 -0.20 1.00 2.02 -0.86 -1.33 112.91 115.61 3m62 h THR 448 Ca 0.17 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 3m62 h THR 448 Cb 0.51 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3m62 h THR 448 CO 0.02 0.13 -0.14 0.74 0.37 0.00 0.00 175.52 176.65 3m62 h THR 449 N 0.32 1.32 -0.80 3.16 2.02 -0.80 -1.44 112.91 116.69 3m62 h THR 449 Ca 0.09 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 3m62 h THR 449 Cb 0.08 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 3m62 h THR 449 CO -0.01 0.38 0.47 -0.33 0.37 0.00 0.00 175.52 176.39 3m62 h GLU 450 N 0.12 1.09 -0.49 6.66 5.08 -1.00 0.32 114.58 126.37 3m62 h GLU 450 Ca 0.04 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3m62 h GLU 450 Cb 0.65 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3m62 h GLU 450 CO 0.04 0.78 0.23 0.77 -1.00 0.00 0.00 179.01 179.83 3m62 h SER 451 N 1.10 0.64 -0.18 1.42 0.02 -1.14 -2.73 113.55 112.69 3m62 h SER 451 Ca 0.28 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 3m62 h SER 451 Cb -0.02 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3m62 h SER 451 CO -0.05 0.60 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.94 3m62 h LEU 452 N 0.65 0.63 -0.42 5.07 3.38 -0.91 -1.16 115.31 122.54 3m62 h LEU 452 Ca 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3m62 h LEU 452 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3m62 h LEU 452 CO -0.02 0.85 0.28 -0.09 0.09 0.00 0.00 178.44 179.54 3m62 h ARG 453 N 0.55 0.55 -0.00 1.13 2.43 -0.80 0.12 114.38 118.37 3m62 h ARG 453 Ca 0.08 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3m62 h ARG 453 Cb 0.68 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3m62 h ARG 453 CO 0.05 0.37 -0.10 0.74 -1.51 0.00 0.00 179.97 179.52 3m62 h PHE 454 N 0.57 -0.25 -0.66 2.20 0.05 -1.21 -0.15 116.94 117.50 3m62 h PHE 454 Ca 0.15 0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.98 3m62 h PHE 454 Cb -0.06 0.11 -0.04 0.00 2.00 0.00 0.00 35.95 37.96 3m62 h PHE 454 CO -0.05 -0.15 0.41 0.00 -0.18 0.00 0.00 178.31 178.34 3m62 h ALA 455 N 0.81 0.85 -0.48 2.45 0.00 -0.53 0.12 119.26 122.48 3m62 h ALA 455 Ca 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3m62 h ALA 455 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3m62 h ALA 455 CO -0.10 0.17 0.08 -0.07 0.00 0.00 0.00 179.25 179.33 3m62 h LEU 456 N 0.80 0.70 -0.70 0.00 3.38 -0.59 -1.92 115.31 116.98 3m62 h LEU 456 Ca 0.26 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3m62 h LEU 456 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3m62 h LEU 456 CO -0.10 0.71 -0.09 1.56 0.09 0.00 0.00 178.44 180.61 3m62 h GLN 457 N 0.72 0.91 -0.99 1.13 4.20 -0.21 -0.38 115.11 120.48 3m62 h GLN 457 Ca 0.15 -0.31 0.07 0.00 0.06 0.00 0.00 58.65 58.62 3m62 h GLN 457 Cb 0.32 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 3m62 h GLN 457 CO 0.00 0.96 0.63 0.78 -0.67 0.00 0.00 178.83 180.54 3m62 h GLY 458 N 0.97 1.51 0.90 3.46 0.00 -0.07 -0.44 103.07 109.40 3m62 h GLY 458 Ca 0.14 -0.46 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 3m62 h GLY 458 CO 0.04 0.31 -0.94 -2.75 0.00 0.00 0.00 176.54 173.20 3m62 h PHE 459 N 1.13 0.72 0.00 5.60 3.04 -0.93 -2.97 116.94 123.53 3m62 h PHE 459 Ca 0.43 -0.48 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 3m62 h PHE 459 Cb 0.20 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 3m62 h PHE 459 CO -0.01 1.34 -0.25 0.74 -2.02 0.00 0.00 178.31 178.12 3m62 h PHE 460 N -0.10 0.00 0.00 0.41 -1.00 -0.91 -2.42 116.94 112.92 3m62 h PHE 460 Ca -0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.63 3m62 h PHE 460 Cb 1.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.25 3m62 h PHE 460 CO 0.16 0.25 0.00 0.00 -1.61 0.00 0.00 178.31 177.11 3m62 n ALA 461 N -2.21 2.11 -2.29 2.45 0.00 -0.19 -4.66 120.51 115.72 3m62 n ALA 461 Ca 0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 3m62 n ALA 461 Cb 0.49 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 3m62 n ALA 461 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3m62 s HIS 462 N -2.92 2.23 0.20 0.00 5.04 -0.91 -4.83 115.29 114.10 3m62 s HIS 462 Ca 0.14 -0.26 -0.11 0.00 -1.54 0.00 0.00 55.06 53.29 3m62 s HIS 462 Cb 0.16 -4.34 0.19 0.00 0.04 0.00 0.00 32.58 28.62 3m62 s HIS 462 CO 0.42 -1.65 1.80 -0.09 -2.34 0.00 0.00 174.74 172.87 3m62 h ARG 463 N 9.68 0.59 -0.94 2.88 2.43 -1.83 -1.37 114.38 125.83 3m62 h ARG 463 Ca 0.23 -0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.53 3m62 h ARG 463 Cb 0.96 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 3m62 h ARG 463 CO 1.32 0.39 0.60 1.03 -1.51 0.00 0.00 179.97 181.80 3m62 h SER 464 N 0.61 0.66 0.18 -3.80 0.87 -1.93 0.29 113.55 110.42 3m62 h SER 464 Ca 0.26 0.06 -0.24 0.00 -1.23 0.00 0.00 61.79 60.64 3m62 h SER 464 Cb 0.15 -0.07 0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3m62 h SER 464 CO -0.16 0.30 -1.07 -0.07 -0.53 0.00 0.00 176.83 175.29 3m62 h LEU 465 N 0.68 0.59 -0.94 2.23 4.07 -1.67 -3.34 115.31 116.92 3m62 h LEU 465 Ca 0.49 -0.94 -0.11 0.00 0.08 0.00 0.00 57.88 57.40 3m62 h LEU 465 Cb 0.85 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 3m62 h LEU 465 CO -0.25 1.51 -0.49 1.56 -1.08 0.00 0.00 178.44 179.70 3m62 h GLN 466 N -0.20 0.10 -0.71 1.13 1.08 -0.94 -2.56 115.11 113.02 3m62 h GLN 466 Ca -0.19 -0.05 0.13 0.00 -1.45 0.00 0.00 58.65 57.08 3m62 h GLN 466 Cb 1.82 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 29.17 3m62 h GLN 466 CO 0.19 0.57 0.26 -0.07 -0.95 0.00 0.00 178.83 178.83 3m62 h LEU 467 N 0.08 0.23 -1.11 1.46 3.38 -0.57 0.02 115.31 118.80 3m62 h LEU 467 Ca 0.00 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3m62 h LEU 467 Cb 0.90 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 3m62 h LEU 467 CO 0.07 0.10 0.60 -0.33 0.09 0.00 0.00 178.44 178.97 3m62 h GLU 468 N 0.42 1.18 -0.25 1.13 5.08 -1.58 0.11 114.58 120.66 3m62 h GLU 468 Ca 0.38 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 3m62 h GLU 468 Cb 0.56 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3m62 h GLU 468 CO -0.39 0.78 -0.15 0.28 -1.00 0.00 0.00 179.01 178.53 3m62 h VAL 469 N 1.21 1.31 -0.00 3.13 2.07 -1.30 -1.34 116.25 121.32 3m62 h VAL 469 Ca 0.34 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 3m62 h VAL 469 Cb -0.11 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3m62 h VAL 469 CO -0.08 0.39 -0.57 0.15 0.02 0.00 0.00 177.57 177.48 3m62 h PHE 470 N 0.27 0.02 -0.31 1.57 3.57 -0.53 -1.52 116.94 120.01 3m62 h PHE 470 Ca 0.05 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 3m62 h PHE 470 Cb 0.68 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3m62 h PHE 470 CO 0.07 0.58 -0.42 -0.44 -2.23 0.00 0.00 178.31 175.87 3m62 h ASP 471 N 0.01 0.83 -0.48 0.41 5.19 -0.72 -0.94 116.42 120.71 3m62 h ASP 471 Ca -0.01 -0.38 0.06 0.00 -0.62 0.00 0.00 57.03 56.08 3m62 h ASP 471 Cb 1.02 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 3m62 h ASP 471 CO 0.08 1.13 0.20 0.15 -3.12 0.00 0.00 179.24 177.67 3m62 h PHE 472 N 0.63 0.35 -0.99 4.55 3.57 -0.77 -0.53 116.94 123.75 3m62 h PHE 472 Ca 0.05 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3m62 h PHE 472 Cb 0.98 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 3m62 h PHE 472 CO 0.05 0.14 0.63 0.82 -2.23 0.00 0.00 178.31 177.72 3m62 h ILE 473 N 0.39 0.99 -0.05 1.41 2.04 -0.81 0.46 117.51 121.93 3m62 h ILE 473 Ca 0.23 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3m62 h ILE 473 Cb 0.21 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3m62 h ILE 473 CO -0.21 0.19 -0.12 0.00 0.00 0.00 0.00 178.15 178.01 3m62 h GLY 475 N -0.35 0.29 1.51 0.00 0.00 -0.95 -1.55 103.07 102.01 3m62 h GLY 475 Ca -0.00 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.56 3m62 h GLY 475 CO 0.03 -0.20 0.27 0.00 0.00 0.00 0.00 176.54 176.64 3m62 h ALA 476 N 1.41 1.83 -0.31 3.60 0.00 0.09 -1.31 119.26 124.56 3m62 h ALA 476 Ca 0.24 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3m62 h ALA 476 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3m62 h ALA 476 CO -0.52 0.13 -0.04 0.77 0.00 0.00 0.00 179.25 179.59 3m62 h SER 477 N 0.44 0.56 0.34 0.00 0.02 -0.12 -1.54 113.55 113.26 3m62 h SER 477 Ca 0.16 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3m62 h SER 477 Cb 0.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3m62 h SER 477 CO -0.04 0.77 -0.16 0.74 -1.14 0.00 0.00 176.83 177.00 3m62 h THR 478 N 0.35 0.67 -0.89 -2.27 2.02 -0.83 -1.15 112.91 110.81 3m62 h THR 478 Ca 0.08 -0.07 0.20 0.00 0.77 0.00 0.00 66.41 67.39 3m62 h THR 478 Cb 0.50 0.71 -0.17 0.00 -1.74 0.00 0.00 68.15 67.45 3m62 h THR 478 CO 0.02 0.01 -0.13 0.15 0.37 0.00 0.00 175.52 175.95 3m62 h PHE 479 N -0.49 -0.31 0.00 3.16 3.57 -1.19 0.33 116.94 122.00 3m62 h PHE 479 Ca -0.05 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 3m62 h PHE 479 Cb 0.37 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3m62 h PHE 479 CO -0.04 -0.37 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.03 3m62 h LEU 480 N 0.02 0.00 -0.45 0.59 3.38 -0.77 -0.08 115.31 118.00 3m62 h LEU 480 Ca 0.46 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.29 3m62 h LEU 480 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3m62 h LEU 480 CO -0.88 0.56 -0.30 0.40 0.09 0.00 0.00 178.44 178.31 3m62 h ILE 481 N 0.00 1.27 -0.73 1.22 2.04 0.20 -2.57 117.51 118.94 3m62 h ILE 481 Ca -0.01 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.42 3m62 h ILE 481 Cb 1.05 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 3m62 h ILE 481 CO 0.07 0.50 0.48 -0.09 0.00 0.00 0.00 178.15 179.11 3m62 h ARG 482 N 0.81 0.84 -0.36 2.37 2.43 -0.43 -0.75 114.38 119.29 3m62 h ARG 482 Ca 0.09 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3m62 h ARG 482 Cb 0.89 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 3m62 h ARG 482 CO 0.08 0.55 -0.06 0.28 -1.51 0.00 0.00 179.97 179.31 3m62 h VAL 483 N 0.86 1.23 0.10 0.20 2.07 -0.72 -3.27 116.25 116.72 3m62 h VAL 483 Ca 0.29 -0.97 -0.22 0.00 0.82 0.00 0.00 66.70 66.62 3m62 h VAL 483 Cb 0.09 1.03 0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3m62 h VAL 483 CO -0.09 0.33 -0.91 0.58 0.02 0.00 0.00 177.57 177.50 3m62 h VAL 484 N 0.56 1.41 -1.12 2.57 2.07 -1.00 -3.44 116.25 117.29 3m62 h VAL 484 Ca 0.11 -2.40 -0.84 0.00 0.82 0.00 0.00 66.70 64.39 3m62 h VAL 484 Cb 0.45 2.89 0.02 0.00 -1.52 0.00 0.00 31.29 33.13 3m62 h VAL 484 CO 0.02 0.70 0.65 -0.67 0.02 0.00 0.00 177.57 178.29 3m62 n ASP 485 N -4.04 1.30 -0.01 0.57 -0.08 -0.35 -4.83 116.55 109.11 3m62 n ASP 485 Ca -0.13 1.16 0.07 0.00 -1.51 0.00 0.00 54.79 54.39 3m62 n ASP 485 Cb 0.84 -0.94 0.47 0.00 2.34 0.00 0.00 41.12 43.83 3m62 n ASP 485 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3m62 h PRO 486 N 5.16 0.44 0.00 -0.67 0.11 -1.90 -1.75 132.00 133.39 3m62 h PRO 486 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3m62 h PRO 486 Cb 1.37 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3m62 h PRO 486 CO 0.93 0.29 -0.07 0.93 -0.21 0.00 0.00 178.00 179.87 3m62 h GLU 487 N 0.45 0.00 -6.03 1.05 4.39 -1.93 -3.48 114.58 109.03 3m62 h GLU 487 Ca 0.18 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.47 3m62 h GLU 487 Cb 0.17 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.88 3m62 h GLU 487 CO -0.05 0.07 -0.79 0.72 -1.16 0.00 0.00 179.01 177.80 3m62 n HIS 488 N -3.14 -2.12 0.00 4.33 8.25 -0.66 -4.89 115.22 116.99 3m62 n HIS 488 Ca 0.02 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.37 3m62 n HIS 488 Cb 0.47 -4.50 0.00 0.00 1.12 0.00 0.00 29.99 27.08 3m62 n HIS 488 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3m62 n GLU 489 N -4.39 1.95 -1.71 -0.41 4.07 -1.26 -5.03 120.64 113.86 3m62 n GLU 489 Ca -0.21 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.50 3m62 n GLU 489 Cb 0.64 -0.88 0.04 0.00 -0.06 0.00 0.00 31.44 31.18 3m62 n GLU 489 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3m62 n PHE 490 N -1.29 2.05 1.04 4.31 7.35 -1.23 -1.83 117.46 127.87 3m62 n PHE 490 Ca 0.00 0.45 0.07 0.00 -0.76 0.00 0.00 57.45 57.21 3m62 n PHE 490 Cb 0.12 -2.33 0.22 0.00 0.35 0.00 0.00 39.48 37.84 3m62 n PHE 490 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3m62 n PRO 491 N -0.75 1.74 0.19 -7.13 -0.04 -1.26 -4.43 135.00 123.32 3m62 n PRO 491 Ca 0.10 -1.14 0.05 0.00 -0.04 0.00 0.00 63.50 62.47 3m62 n PRO 491 Cb 0.44 -1.30 0.32 0.00 -0.04 0.00 0.00 33.50 32.92 3m62 n PRO 491 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3m62 h PHE 492 N 1.98 0.00 -3.94 0.54 0.04 -1.79 -3.43 116.94 110.34 3m62 h PHE 492 Ca 0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 3m62 h PHE 492 Cb 0.45 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 38.35 3m62 h PHE 492 CO 0.18 0.38 -0.75 0.15 -0.60 0.00 0.00 178.31 177.68 3m62 s LYS 493 N -3.58 0.49 0.55 1.51 1.02 -1.16 -5.14 119.74 113.43 3m62 s LYS 493 Ca 0.00 -0.48 -0.20 0.00 0.02 0.00 0.00 55.97 55.31 3m62 s LYS 493 Cb 0.11 -0.37 -0.07 0.00 -0.52 0.00 0.00 37.83 36.99 3m62 s LYS 493 CO 0.69 0.09 0.98 0.94 -0.92 0.00 0.00 175.35 177.12 3m62 n GLN 494 N 2.20 1.06 -3.58 1.68 -0.06 -1.26 -3.47 117.38 113.95 3m62 n GLN 494 Ca -0.18 0.40 -0.37 0.00 -2.00 0.00 0.00 57.00 54.85 3m62 n GLN 494 Cb 0.56 -2.14 -0.06 0.00 -4.06 0.00 0.00 30.24 24.54 3m62 n GLN 494 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 3m62 s ILE 495 N -1.45 5.21 -0.25 1.69 2.07 -1.26 -4.84 121.20 122.36 3m62 s ILE 495 Ca 0.72 0.64 -0.20 0.00 -1.41 0.00 0.00 60.65 60.39 3m62 s ILE 495 Cb -0.45 -3.63 -0.02 0.00 0.13 0.00 0.00 42.46 38.49 3m62 s ILE 495 CO 0.50 0.53 0.64 -0.54 -1.91 0.00 0.00 174.94 174.16 3m62 s LYS 496 N -0.61 4.11 0.15 3.50 -0.14 -1.26 -5.01 119.74 120.48 3m62 s LYS 496 Ca 0.20 0.56 0.10 0.00 -1.36 0.00 0.00 55.97 55.48 3m62 s LYS 496 Cb -0.15 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.31 3m62 s LYS 496 CO 0.09 -0.42 -0.22 -0.51 -0.76 0.00 0.00 175.35 173.54 3m62 s LEU 497 N 2.51 2.53 0.67 3.17 1.43 -1.26 -4.21 118.68 123.52 3m62 s LEU 497 Ca 0.26 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 3m62 s LEU 497 Cb -0.15 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3m62 s LEU 497 CO 0.08 0.15 1.06 -2.16 0.23 0.00 0.00 176.35 175.72 3m62 s PRO 498 N -2.34 3.19 0.17 1.29 0.04 -1.26 -5.08 135.00 131.01 3m62 s PRO 498 Ca 0.18 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 61.82 3m62 s PRO 498 Cb -0.09 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3m62 s PRO 498 CO 0.09 -0.84 1.41 -0.07 0.04 0.00 0.00 177.00 177.64 3m62 h LEU 499 N -0.51 0.53 -8.41 -3.56 3.38 -1.96 -3.43 115.31 101.35 3m62 h LEU 499 Ca -0.45 -0.35 -0.55 0.00 0.09 0.00 0.00 57.88 56.62 3m62 h LEU 499 Cb 1.22 -0.16 -0.28 0.00 0.09 0.00 0.00 40.66 41.54 3m62 h LEU 499 CO 0.63 1.10 -0.83 0.27 0.09 0.00 0.00 178.44 179.69 3m62 s ILE 500 N -3.59 1.48 0.32 1.22 -4.36 -1.26 -5.12 121.20 109.88 3m62 s ILE 500 Ca -0.06 -0.94 -0.26 0.00 -0.26 0.00 0.00 60.65 59.12 3m62 s ILE 500 Cb 0.10 -1.26 -0.14 0.00 1.25 0.00 0.00 42.46 42.41 3m62 s ILE 500 CO 0.85 0.30 0.82 -2.65 0.24 0.00 0.00 174.94 174.49 3m62 n PRO 501 N 2.29 0.94 -2.01 0.37 -0.02 -1.26 -4.87 135.00 130.43 3m62 n PRO 501 Ca -0.16 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 3m62 n PRO 501 Cb 0.54 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 32.35 3m62 n PRO 501 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3m62 s ASP 502 N -0.74 6.66 -0.51 2.55 -0.00 -1.26 -4.93 116.67 118.44 3m62 s ASP 502 Ca 0.61 2.63 -0.29 0.00 -0.00 0.00 0.00 52.55 55.51 3m62 s ASP 502 Cb -0.71 -2.62 0.03 0.00 -0.00 0.00 0.00 42.92 39.62 3m62 s ASP 502 CO 0.59 -0.72 1.21 -1.10 -0.00 0.00 0.00 175.17 175.15 3m62 s GLN 503 N -0.02 3.61 0.00 8.23 -1.52 -1.26 -5.25 119.66 123.45 3m62 s GLN 503 Ca 0.61 0.50 -0.03 0.00 -1.95 0.00 0.00 55.36 54.50 3m62 s GLN 503 Cb -0.42 -3.97 -0.12 0.00 -0.22 0.00 0.00 33.01 28.28 3m62 s GLN 503 CO 0.40 -1.54 2.02 -0.89 -0.25 0.00 0.00 175.29 175.03 3m62 n ILE 504 N 6.83 1.55 -1.41 1.08 5.41 -1.26 -5.21 119.36 126.36 3m62 n ILE 504 Ca 0.12 -0.72 0.00 0.00 1.00 0.00 0.00 62.75 63.14 3m62 n ILE 504 Cb 0.49 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 3m62 n ILE 504 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3m62 n VAL 509 N 2.55 -1.87 -2.52 1.39 0.24 -1.26 -5.25 118.33 111.60 3m62 n VAL 509 Ca 0.19 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.44 3m62 n VAL 509 Cb 0.46 -3.75 0.01 0.00 -1.47 0.00 0.00 33.84 29.09 3m62 n VAL 509 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3m62 n ASP 510 N -0.07 -6.56 -0.09 -1.34 10.43 -1.26 -5.01 116.55 112.65 3m62 n ASP 510 Ca 0.00 0.45 -0.10 0.00 2.57 0.00 0.00 54.79 57.71 3m62 n ASP 510 Cb 0.00 -4.36 -0.13 0.00 1.84 0.00 0.00 41.12 38.46 3m62 n ASP 510 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3m62 n ASN 511 N -0.30 0.96 -0.06 -2.24 5.03 -1.26 -4.68 115.26 112.71 3m62 n ASN 511 Ca 0.09 -0.03 -0.02 0.00 0.87 0.00 0.00 54.58 55.50 3m62 n ASN 511 Cb 0.33 0.67 -0.01 0.00 -1.02 0.00 0.00 39.78 39.75 3m62 n ASN 511 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3m62 n ALA 512 N -2.76 -0.09 0.02 5.41 0.00 -1.26 0.33 120.51 122.15 3m62 n ALA 512 Ca -0.31 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3m62 n ALA 512 Cb 1.05 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 20.42 3m62 n ALA 512 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3m62 h ASP 513 N 0.00 -0.12 -0.28 0.00 3.45 -1.99 0.22 116.42 117.70 3m62 h ASP 513 Ca 0.03 0.03 0.05 0.00 0.43 0.00 0.00 57.03 57.56 3m62 h ASP 513 Cb 0.06 0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 38.85 3m62 h ASP 513 CO -0.14 -0.05 -0.01 0.15 -1.57 0.00 0.00 179.24 177.62 3m62 h PHE 514 N -0.03 -0.03 -0.41 4.55 3.57 -0.42 -0.78 116.94 123.39 3m62 h PHE 514 Ca 0.04 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3m62 h PHE 514 Cb 0.09 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3m62 h PHE 514 CO -0.14 -0.06 0.02 -0.07 -2.23 0.00 0.00 178.31 175.83 3m62 h LEU 515 N 0.07 0.69 -0.45 0.59 3.38 -0.75 -1.27 115.31 117.57 3m62 h LEU 515 Ca 0.13 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3m62 h LEU 515 Cb 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3m62 h LEU 515 CO -0.23 0.81 0.22 -0.09 0.09 0.00 0.00 178.44 179.24 3m62 h ARG 516 N 0.54 0.43 -0.18 1.13 2.43 -0.50 0.11 114.38 118.34 3m62 h ARG 516 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3m62 h ARG 516 Cb 0.45 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3m62 h ARG 516 CO 0.02 0.28 0.08 0.00 -1.51 0.00 0.00 179.97 178.84 3m62 h ALA 517 N 1.25 1.82 -0.52 2.80 0.00 -0.45 -1.75 119.26 122.40 3m62 h ALA 517 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m62 h ALA 517 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m62 h ALA 517 CO -0.15 0.15 0.00 0.72 0.00 0.00 0.00 179.25 179.98 3m62 n HIS 518 N -4.48 1.03 -2.13 0.00 8.25 -0.54 -4.98 115.22 112.37 3m62 n HIS 518 Ca -0.00 -0.60 -0.38 0.00 -0.26 0.00 0.00 57.72 56.48 3m62 n HIS 518 Cb 0.10 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3m62 n HIS 518 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m62 s ALA 519 N -1.62 2.99 0.40 -1.41 0.00 0.33 -4.98 121.76 117.47 3m62 s ALA 519 Ca 0.41 1.06 -0.23 0.00 0.00 0.00 0.00 51.96 53.20 3m62 s ALA 519 Cb 0.26 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.85 3m62 s ALA 519 CO 0.21 -0.82 1.00 -1.25 0.00 0.00 0.00 175.76 174.90 3m62 s PRO 520 N -2.66 4.25 -0.12 0.00 0.04 -1.26 -4.88 135.00 130.38 3m62 s PRO 520 Ca 0.64 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 63.01 3m62 s PRO 520 Cb -0.32 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 3m62 s PRO 520 CO 0.40 -0.04 -0.02 0.08 0.04 0.00 0.00 177.00 177.46 3m62 s VAL 521 N -1.80 4.11 -1.78 -0.36 1.01 -1.26 -0.70 120.40 119.63 3m62 s VAL 521 Ca 0.58 -0.30 0.29 0.00 0.00 0.00 0.00 61.98 62.54 3m62 s VAL 521 Cb -0.17 -2.76 0.48 0.00 0.00 0.00 0.00 36.38 33.93 3m62 s VAL 521 CO 0.22 0.55 1.85 -0.81 0.00 0.00 0.00 175.10 176.91 3m62 n PRO 522 N 2.77 0.83 -0.29 2.72 -0.04 -1.26 -4.96 135.00 134.77 3m62 n PRO 522 Ca -0.18 -0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.08 3m62 n PRO 522 Cb 0.53 -1.49 0.27 0.00 -0.04 0.00 0.00 33.50 32.76 3m62 n PRO 522 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3m62 h PHE 523 N 0.78 0.25 -0.01 0.54 3.04 -1.79 -0.19 116.94 119.57 3m62 h PHE 523 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3m62 h PHE 523 Cb 0.36 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 3m62 h PHE 523 CO 0.00 -0.23 0.08 1.57 -2.02 0.00 0.00 178.31 177.71 3m62 h LYS 524 N 0.17 0.00 0.00 1.11 2.10 -1.23 -0.72 116.57 118.00 3m62 h LYS 524 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 3m62 h LYS 524 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3m62 h LYS 524 CO -0.68 0.00 -0.72 0.66 -2.00 0.00 0.00 179.45 176.71 3m62 n TYR 525 N -3.09 0.07 -1.70 0.07 4.01 -0.08 -1.73 117.16 114.71 3m62 n TYR 525 Ca -0.03 0.02 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 3m62 n TYR 525 Cb 0.15 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 38.95 3m62 n TYR 525 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m62 n TYR 526 N -1.61 2.05 -1.99 -0.72 4.02 -0.28 -4.67 117.16 113.95 3m62 n TYR 526 Ca 0.04 0.48 -0.39 0.00 -0.01 0.00 0.00 57.90 58.03 3m62 n TYR 526 Cb 0.36 -2.35 0.01 0.00 -0.02 0.00 0.00 39.34 37.33 3m62 n TYR 526 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3m62 s PRO 527 N -2.39 3.63 0.41 -0.72 0.02 -1.26 -0.96 135.00 133.73 3m62 s PRO 527 Ca 0.64 2.11 0.18 0.00 0.02 0.00 0.00 61.00 63.96 3m62 s PRO 527 Cb -0.48 -2.51 1.09 0.00 0.02 0.00 0.00 34.50 32.62 3m62 s PRO 527 CO 0.55 -0.76 1.83 0.93 -0.33 0.00 0.00 177.00 179.23 3m62 h GLU 528 N 2.11 0.39 -0.32 5.54 5.08 -0.72 -2.25 114.58 124.41 3m62 h GLU 528 Ca -0.50 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 57.93 3m62 h GLU 528 Cb 1.26 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3m62 h GLU 528 CO 0.60 0.26 0.28 0.27 -1.00 0.00 0.00 179.01 179.42 3m62 h PHE 529 N 0.41 0.00 0.00 4.33 -0.00 -1.91 0.21 116.94 119.98 3m62 h PHE 529 Ca 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.47 3m62 h PHE 529 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.21 3m62 h PHE 529 CO -0.00 0.00 -0.02 -0.39 -0.00 0.00 0.00 178.31 177.90 3m62 h VAL 530 N 0.00 0.49 0.00 0.88 -1.51 -1.72 -0.42 116.25 113.97 3m62 h VAL 530 Ca 0.15 -0.09 -0.31 0.00 -1.23 0.00 0.00 66.70 65.22 3m62 h VAL 530 Cb 0.71 1.06 -0.06 0.00 -2.13 0.00 0.00 31.29 30.88 3m62 h VAL 530 CO -0.00 0.02 -2.15 0.52 -1.23 0.00 0.00 177.57 174.73 3m62 n VAL 531 N -3.75 1.16 -0.03 7.19 0.31 0.50 -4.47 118.33 119.23 3m62 n VAL 531 Ca -0.03 -0.62 -0.04 0.00 -0.01 0.00 0.00 64.34 63.63 3m62 n VAL 531 Cb 0.11 -0.78 0.18 0.00 -0.91 0.00 0.00 33.84 32.44 3m62 n VAL 531 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3m62 h GLU 532 N 0.00 0.61 0.76 5.55 4.81 -0.64 -2.85 114.58 122.82 3m62 h GLU 532 Ca -0.45 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.53 3m62 h GLU 532 Cb 1.93 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 31.27 3m62 h GLU 532 CO -0.01 0.76 -0.37 0.78 -0.73 0.00 0.00 179.01 179.44 3m62 h GLY 533 N 0.98 -1.07 0.30 1.92 0.00 -1.31 -0.75 103.07 103.14 3m62 h GLY 533 Ca 0.09 0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.92 3m62 h GLY 533 CO 0.04 -0.39 0.18 -2.55 0.00 0.00 0.00 176.54 173.83 3m62 h PRO 534 N -1.06 0.33 -0.10 4.80 0.11 -1.78 -1.91 132.00 132.39 3m62 h PRO 534 Ca -0.10 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.79 3m62 h PRO 534 Cb 0.79 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 3m62 h PRO 534 CO 0.17 0.22 -0.74 -0.24 -0.21 0.00 0.00 178.00 177.20 3m62 h VAL 535 N 0.34 1.35 -0.32 3.15 3.04 -1.40 0.34 116.25 122.74 3m62 h VAL 535 Ca 0.31 -2.09 -0.05 0.00 -1.01 0.00 0.00 66.70 63.85 3m62 h VAL 535 Cb 0.42 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 3m62 h VAL 535 CO -0.35 0.64 0.00 0.78 -1.01 0.00 0.00 177.57 177.64 3m62 h ASN 536 N 0.34 0.56 -0.39 3.17 2.35 -0.96 -1.59 115.58 119.07 3m62 h ASN 536 Ca -0.04 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.44 3m62 h ASN 536 Cb 1.33 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.51 3m62 h ASN 536 CO 0.13 0.73 0.18 0.22 -1.65 0.00 0.00 177.43 177.04 3m62 h TYR 537 N 0.37 0.32 -0.37 1.19 3.20 -1.21 -0.83 116.97 119.64 3m62 h TYR 537 Ca 0.09 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 3m62 h TYR 537 Cb 0.44 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3m62 h TYR 537 CO 0.04 0.16 -0.14 0.77 -1.64 0.00 0.00 178.16 177.34 3m62 h SER 538 N 0.36 0.77 -0.38 -2.11 0.02 -0.79 0.17 113.55 111.60 3m62 h SER 538 Ca 0.17 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3m62 h SER 538 Cb 0.10 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3m62 h SER 538 CO -0.13 0.99 0.18 -0.07 -1.14 0.00 0.00 176.83 176.65 3m62 h LEU 539 N 0.55 0.49 -0.16 5.07 3.38 -1.17 -2.70 115.31 120.77 3m62 h LEU 539 Ca 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3m62 h LEU 539 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3m62 h LEU 539 CO 0.05 0.48 -0.01 0.22 0.09 0.00 0.00 178.44 179.27 3m62 h TYR 540 N 0.47 0.32 0.00 1.13 3.20 -0.67 -3.13 116.97 118.29 3m62 h TYR 540 Ca 0.13 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3m62 h TYR 540 Cb 0.12 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3m62 h TYR 540 CO -0.01 0.52 0.00 0.97 -1.64 0.00 0.00 178.16 178.00 3m62 h ILE 541 N 0.02 0.00 -0.07 1.81 6.09 -0.65 -2.58 117.51 122.14 3m62 h ILE 541 Ca 0.04 -0.29 0.02 0.00 -1.37 0.00 0.00 64.86 63.26 3m62 h ILE 541 Cb 0.40 1.08 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 3m62 h ILE 541 CO 0.01 0.00 0.21 0.28 -3.07 0.00 0.00 178.15 175.58 3m62 h SER 542 N 0.00 0.00 0.72 2.19 0.02 -1.42 -2.74 113.55 112.32 3m62 h SER 542 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m62 h SER 542 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3m62 h SER 542 CO 0.00 0.00 -0.06 2.29 -1.14 0.00 0.00 176.83 177.92 3m62 n LYS 543 N -3.20 0.25 -3.38 3.45 2.85 -0.97 -4.80 118.16 112.35 3m62 n LYS 543 Ca -0.01 -0.03 -0.39 0.00 -1.05 0.00 0.00 58.31 56.83 3m62 n LYS 543 Cb 0.29 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.09 3m62 n LYS 543 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3m62 s TYR 544 N -2.78 3.32 0.30 5.58 2.02 -1.04 -4.97 117.35 119.79 3m62 s TYR 544 Ca 0.21 0.54 0.09 0.00 -0.37 0.00 0.00 57.07 57.54 3m62 s TYR 544 Cb 0.19 -2.55 0.91 0.00 -0.40 0.00 0.00 41.96 40.11 3m62 s TYR 544 CO 0.51 -0.10 1.41 0.94 -1.57 0.00 0.00 175.55 176.74 3m62 n GLN 545 N 4.85 -0.06 -0.68 -0.62 -0.06 -1.26 -0.18 117.38 119.37 3m62 n GLN 545 Ca -0.08 1.30 0.06 0.00 -2.00 0.00 0.00 57.00 56.28 3m62 n GLN 545 Cb 0.51 -2.17 0.32 0.00 -4.06 0.00 0.00 30.24 24.84 3m62 n GLN 545 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3m62 n THR 546 N -5.19 2.06 -1.52 1.69 -2.24 -1.26 -5.00 114.28 102.82 3m62 n THR 546 Ca 0.27 -1.10 -0.51 0.00 -2.27 0.00 0.00 64.05 60.43 3m62 n THR 546 Cb 0.89 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 3m62 n THR 546 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3m62 n SER 547 N 0.62 0.37 0.06 3.42 2.88 0.75 -4.58 113.62 117.15 3m62 n SER 547 Ca 0.22 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 59.01 3m62 n SER 547 Cb 0.95 -1.07 0.42 0.00 -0.75 0.00 0.00 64.21 63.76 3m62 n SER 547 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3m62 n PRO 548 N 1.51 0.10 0.04 -1.46 -0.04 -1.26 -2.92 135.00 130.97 3m62 n PRO 548 Ca 0.17 0.29 -0.20 0.00 -0.04 0.00 0.00 63.50 63.73 3m62 n PRO 548 Cb 0.20 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 3m62 n PRO 548 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3m62 h ILE 549 N 0.00 1.33 -2.26 0.52 2.04 -1.91 -3.41 117.51 113.81 3m62 h ILE 549 Ca 0.00 -2.25 -0.55 0.00 1.00 0.00 0.00 64.86 63.06 3m62 h ILE 549 Cb 0.36 2.53 0.02 0.00 -0.74 0.00 0.00 36.82 38.99 3m62 h ILE 549 CO 0.00 0.68 1.20 0.33 0.00 0.00 0.00 178.15 180.37 3m62 n PHE 550 N -3.95 2.46 -3.61 1.37 7.35 -1.15 -3.05 117.46 116.88 3m62 n PHE 550 Ca -0.11 -0.28 -0.22 0.00 -0.76 0.00 0.00 57.45 56.08 3m62 n PHE 550 Cb 0.84 -2.77 0.06 0.00 0.35 0.00 0.00 39.48 37.97 3m62 n PHE 550 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 3m62 n ARG 551 N 7.33 -6.33 -3.74 -4.13 1.85 -1.26 -4.98 116.66 105.40 3m62 n ARG 551 Ca 0.21 0.75 -0.37 0.00 -1.00 0.00 0.00 57.85 57.44 3m62 n ARG 551 Cb 0.38 -5.64 -0.12 0.00 -1.05 0.00 0.00 32.46 26.03 3m62 n ARG 551 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3m62 s ASN 552 N -3.98 5.17 0.43 2.89 3.84 -1.17 -4.97 114.94 117.15 3m62 s ASN 552 Ca 0.23 -0.31 0.29 0.00 0.21 0.00 0.00 52.86 53.28 3m62 s ASN 552 Cb -0.11 -1.93 1.57 0.00 -0.55 0.00 0.00 41.25 40.24 3m62 s ASN 552 CO 0.77 -0.07 1.88 1.55 -2.79 0.00 0.00 177.10 178.44 3m62 h PRO 553 N 8.25 0.00 -0.01 0.43 0.13 -1.93 -0.94 132.00 137.93 3m62 h PRO 553 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3m62 h PRO 553 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3m62 h PRO 553 CO 0.59 0.00 -0.19 0.54 -0.23 0.00 0.00 178.00 178.71 3m62 n ARG 554 N -2.51 0.77 -0.28 0.86 1.74 -1.26 -4.36 116.66 111.62 3m62 n ARG 554 Ca -0.02 -0.38 0.10 0.00 -0.77 0.00 0.00 57.85 56.78 3m62 n ARG 554 Cb 0.05 -1.49 0.26 0.00 -1.02 0.00 0.00 32.46 30.25 3m62 n ARG 554 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3m62 h LEU 555 N 0.93 0.14 -0.74 0.55 6.46 -1.51 -0.89 115.31 120.25 3m62 h LEU 555 Ca 0.00 0.16 0.26 0.00 -0.12 0.00 0.00 57.88 58.18 3m62 h LEU 555 Cb 0.44 0.19 -0.14 0.00 -0.73 0.00 0.00 40.66 40.42 3m62 h LEU 555 CO 0.00 -0.05 0.21 0.61 -0.62 0.00 0.00 178.44 178.59 3m62 n GLY 556 N -1.35 -0.79 0.24 3.75 0.00 -1.26 -1.80 105.19 103.98 3m62 n GLY 556 Ca 0.19 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 46.79 3m62 n GLY 556 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m62 h SER 557 N 0.00 0.74 -0.31 1.61 0.02 -1.48 0.09 113.55 114.22 3m62 h SER 557 Ca 0.54 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 3m62 h SER 557 Cb 1.30 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3m62 h SER 557 CO -0.64 0.74 -0.02 0.15 -1.14 0.00 0.00 176.83 175.92 3m62 h PHE 558 N 0.70 0.62 -0.60 3.45 3.57 -1.51 -1.47 116.94 121.70 3m62 h PHE 558 Ca 0.17 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3m62 h PHE 558 Cb 0.25 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3m62 h PHE 558 CO 0.01 0.71 0.26 0.28 -2.23 0.00 0.00 178.31 177.35 3m62 h VAL 559 N 0.35 1.20 0.30 1.41 2.07 -1.32 0.67 116.25 120.93 3m62 h VAL 559 Ca 0.09 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3m62 h VAL 559 Cb 0.48 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3m62 h VAL 559 CO 0.02 0.25 -0.31 -0.33 0.02 0.00 0.00 177.57 177.22 3m62 h GLU 560 N 0.85 -0.62 -0.82 1.57 5.08 -0.77 0.68 114.58 120.54 3m62 h GLU 560 Ca 0.21 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 3m62 h GLU 560 Cb 0.13 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3m62 h GLU 560 CO -0.02 -0.42 0.50 0.35 -1.00 0.00 0.00 179.01 178.42 3m62 h PHE 561 N -0.65 0.93 -0.43 4.33 3.57 -0.73 -1.18 116.94 122.78 3m62 h PHE 561 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3m62 h PHE 561 Cb 0.59 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3m62 h PHE 561 CO -0.19 0.48 0.25 1.15 -2.23 0.00 0.00 178.31 177.76 3m62 h THR 562 N 0.93 1.15 -0.43 4.41 2.02 -0.58 -1.68 112.91 118.72 3m62 h THR 562 Ca 0.35 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3m62 h THR 562 Cb 0.15 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3m62 h THR 562 CO -0.17 0.15 -0.26 0.74 0.37 0.00 0.00 175.52 176.35 3m62 h THR 563 N 0.56 1.27 -0.41 3.16 2.02 -0.37 -0.84 112.91 118.30 3m62 h THR 563 Ca 0.15 -1.42 0.08 0.00 0.77 0.00 0.00 66.41 65.99 3m62 h THR 563 Cb 0.02 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 3m62 h THR 563 CO -0.03 0.48 -0.08 -0.03 0.37 0.00 0.00 175.52 176.24 3m62 h MET 564 N 0.78 0.02 -0.67 6.66 -1.53 -0.98 0.39 114.93 119.61 3m62 h MET 564 Ca 0.09 -0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.27 3m62 h MET 564 Cb 0.83 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.85 3m62 h MET 564 CO 0.07 0.01 0.10 0.28 0.14 0.00 0.00 176.91 177.51 3m62 h VAL 565 N 0.02 1.26 0.00 -5.77 2.07 -0.92 -1.21 116.25 111.71 3m62 h VAL 565 Ca 0.20 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 3m62 h VAL 565 Cb 0.30 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3m62 h VAL 565 CO -0.40 0.40 -0.39 -0.07 0.02 0.00 0.00 177.57 177.13 3m62 h LEU 566 N 1.04 0.00 -0.01 2.57 3.38 -0.75 -3.25 115.31 118.29 3m62 h LEU 566 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3m62 h LEU 566 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3m62 h LEU 566 CO 0.02 0.39 -0.65 -0.09 0.09 0.00 0.00 178.44 178.20 3m62 h ARG 567 N 0.00 0.00 -3.59 1.13 9.65 0.47 -3.42 114.38 118.62 3m62 h ARG 567 Ca -0.00 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.24 3m62 h ARG 567 Cb 0.99 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 29.16 3m62 h ARG 567 CO 0.05 0.65 -0.67 0.00 2.80 0.00 0.00 179.97 182.80 3m62 h PRO 569 N 6.83 0.00 -0.28 0.00 0.13 -1.82 -1.49 132.00 135.37 3m62 h PRO 569 Ca -0.06 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.13 3m62 h PRO 569 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3m62 h PRO 569 CO 0.61 0.00 0.20 1.05 -0.23 0.00 0.00 178.00 179.63 3m62 h GLU 570 N 0.00 0.09 -0.09 0.86 4.11 -1.90 -3.33 114.58 114.32 3m62 h GLU 570 Ca 0.07 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.35 3m62 h GLU 570 Cb 0.53 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.77 3m62 h GLU 570 CO -0.00 0.06 -0.50 -0.07 0.07 0.00 0.00 179.01 178.57 3m62 h LEU 571 N 0.10 0.60 -7.37 3.06 3.38 -1.58 -3.43 115.31 110.07 3m62 h LEU 571 Ca 0.13 -0.65 -0.52 0.00 0.09 0.00 0.00 57.88 56.93 3m62 h LEU 571 Cb 0.40 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 40.57 3m62 h LEU 571 CO -0.01 1.16 -0.77 -0.69 0.09 0.00 0.00 178.44 178.21 3m62 s VAL 572 N -3.64 0.64 0.06 1.22 1.01 -1.25 -4.36 120.40 114.07 3m62 s VAL 572 Ca -0.13 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.43 3m62 s VAL 572 Cb 0.05 -1.04 -0.12 0.00 0.00 0.00 0.00 36.38 35.27 3m62 s VAL 572 CO 0.82 -0.09 1.35 0.77 0.00 0.00 0.00 175.10 177.95 3m62 h SER 573 N 8.22 0.00 -2.74 3.32 4.64 -1.54 -3.45 113.55 122.01 3m62 h SER 573 Ca -0.18 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.57 3m62 h SER 573 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3m62 h SER 573 CO 0.34 0.84 1.19 0.21 -0.87 0.00 0.00 176.83 178.54 3m62 s ASN 574 N -6.65 6.16 0.18 4.97 3.84 -1.26 -4.90 114.94 117.29 3m62 s ASN 574 Ca 0.02 1.47 0.26 0.00 0.21 0.00 0.00 52.86 54.82 3m62 s ASN 574 Cb 0.10 -2.53 0.72 0.00 -0.55 0.00 0.00 41.25 38.98 3m62 s ASN 574 CO 0.79 -1.46 1.68 -0.81 -2.79 0.00 0.00 177.10 174.51 3m62 n PRO 575 N 8.02 0.26 0.01 0.43 -0.04 -1.26 -2.20 135.00 140.21 3m62 n PRO 575 Ca 0.21 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.78 3m62 n PRO 575 Cb 0.46 -1.76 0.13 0.00 -0.04 0.00 0.00 33.50 32.28 3m62 n PRO 575 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3m62 h HIS 576 N 0.00 0.58 -0.06 0.54 3.86 -1.90 -1.05 115.15 117.12 3m62 h HIS 576 Ca 0.00 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3m62 h HIS 576 Cb 0.73 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.07 3m62 h HIS 576 CO 0.00 0.82 0.04 1.25 0.86 0.00 0.00 177.93 180.90 3m62 h LEU 577 N 0.41 0.08 -1.53 2.43 5.85 -1.85 -1.00 115.31 119.70 3m62 h LEU 577 Ca 0.04 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3m62 h LEU 577 Cb 0.88 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3m62 h LEU 577 CO 0.08 0.11 -0.24 0.11 -0.34 0.00 0.00 178.44 178.16 3m62 h LYS 578 N 0.04 0.00 -0.40 1.25 1.57 -1.44 -2.01 116.57 115.58 3m62 h LYS 578 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3m62 h LYS 578 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3m62 h LYS 578 CO -0.00 0.24 0.22 0.78 -0.57 0.00 0.00 179.45 180.11 3m62 h GLY 579 N 0.76 0.61 1.20 3.86 0.00 -0.60 -0.40 103.07 108.50 3m62 h GLY 579 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 3m62 h GLY 579 CO 0.03 0.27 0.28 0.50 0.00 0.00 0.00 176.54 177.62 3m62 h LYS 580 N 0.52 1.02 -0.41 4.80 1.57 -0.62 -1.70 116.57 121.76 3m62 h LYS 580 Ca 0.14 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3m62 h LYS 580 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3m62 h LYS 580 CO -0.02 0.83 0.02 -0.07 -0.57 0.00 0.00 179.45 179.63 3m62 h LEU 581 N 1.01 0.70 -0.80 2.94 3.38 -0.70 -0.50 115.31 121.34 3m62 h LEU 581 Ca 0.24 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3m62 h LEU 581 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3m62 h LEU 581 CO -0.02 0.83 -0.56 1.62 0.09 0.00 0.00 178.44 180.39 3m62 h VAL 582 N 0.56 1.39 -0.63 1.22 3.04 -1.03 -1.98 116.25 118.82 3m62 h VAL 582 Ca 0.12 -1.92 -0.06 0.00 -1.01 0.00 0.00 66.70 63.83 3m62 h VAL 582 Cb 0.46 2.00 -0.03 0.00 -2.01 0.00 0.00 31.29 31.71 3m62 h VAL 582 CO 0.02 0.56 0.17 -0.61 -1.01 0.00 0.00 177.57 176.70 3m62 h GLN 583 N 0.08 1.01 -0.45 4.17 4.15 -0.80 -1.68 115.11 121.58 3m62 h GLN 583 Ca -0.00 -0.23 0.04 0.00 0.77 0.00 0.00 58.65 59.22 3m62 h GLN 583 Cb 1.02 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.53 3m62 h GLN 583 CO 0.08 0.90 0.23 1.25 -1.93 0.00 0.00 178.83 179.35 3m62 h LEU 584 N 0.93 0.32 -1.58 -2.39 5.85 -0.69 -1.99 115.31 115.77 3m62 h LEU 584 Ca 0.20 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3m62 h LEU 584 Cb 0.33 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3m62 h LEU 584 CO -0.00 0.23 0.29 -0.07 -0.34 0.00 0.00 178.44 178.54 3m62 h LEU 585 N 0.45 0.50 -0.45 2.25 3.38 -0.97 -2.48 115.31 117.99 3m62 h LEU 585 Ca 0.20 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 3m62 h LEU 585 Cb 0.10 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3m62 h LEU 585 CO -0.14 0.36 -0.53 0.77 0.09 0.00 0.00 178.44 178.99 3m62 h SER 586 N 0.59 0.75 -0.79 -0.43 4.64 -0.62 -1.99 113.55 115.70 3m62 h SER 586 Ca 0.16 -0.40 0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3m62 h SER 586 Cb -0.07 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.76 3m62 h SER 586 CO -0.03 1.14 0.52 0.58 -0.87 0.00 0.00 176.83 178.17 3m62 h VAL 587 N 0.53 1.12 0.00 0.95 2.07 -0.96 -0.78 116.25 119.18 3m62 h VAL 587 Ca 0.02 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3m62 h VAL 587 Cb 1.10 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3m62 h VAL 587 CO 0.11 0.18 0.00 1.23 0.02 0.00 0.00 177.57 179.10 3m62 h GLY 588 N 0.96 0.00 0.07 2.17 0.00 -1.00 -3.11 103.07 102.17 3m62 h GLY 588 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 3m62 h GLY 588 CO -0.09 0.00 -1.97 0.00 0.00 0.00 0.00 176.54 174.48 3m62 n ALA 589 N -1.94 2.66 -1.69 3.60 0.00 -0.40 -1.52 120.51 121.23 3m62 n ALA 589 Ca 0.01 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 3m62 n ALA 589 Cb 0.25 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 3m62 n ALA 589 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3m62 n MET 590 N -2.34 2.77 -1.66 0.00 2.81 -0.62 -3.98 117.12 114.09 3m62 n MET 590 Ca -0.07 1.01 -0.40 0.00 -1.81 0.00 0.00 57.70 56.43 3m62 n MET 590 Cb 0.63 -2.90 0.03 0.00 -0.71 0.00 0.00 33.22 30.27 3m62 n MET 590 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3m62 n PRO 591 N 5.57 1.46 -1.89 0.03 -0.02 -1.26 -3.41 135.00 135.48 3m62 n PRO 591 Ca 0.18 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 3m62 n PRO 591 Cb 0.37 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3m62 n PRO 591 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3m62 s LEU 592 N -1.84 3.30 0.56 2.45 1.43 0.01 -4.81 118.68 119.79 3m62 s LEU 592 Ca 0.68 1.56 0.48 0.00 -1.03 0.00 0.00 54.13 55.81 3m62 s LEU 592 Cb -0.48 -4.49 1.68 0.00 0.03 0.00 0.00 46.19 42.93 3m62 s LEU 592 CO 0.53 -1.05 1.58 0.74 0.23 0.00 0.00 176.35 178.39 3m62 h THR 593 N -0.14 0.05 -0.11 5.49 2.02 -1.93 0.90 112.91 119.19 3m62 h THR 593 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3m62 h THR 593 Cb 1.20 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3m62 h THR 593 CO 0.60 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.59 3m62 n ASP 594 N -3.92 1.95 0.00 4.18 5.75 -1.26 -4.96 116.55 118.29 3m62 n ASP 594 Ca 0.41 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 3m62 n ASP 594 Cb 1.91 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.94 3m62 n ASP 594 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3m62 n ASN 595 N 0.51 -0.14 -4.76 -1.12 5.03 0.31 -5.06 115.26 110.03 3m62 n ASN 595 Ca 0.17 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.29 3m62 n ASN 595 Cb 0.40 -0.02 0.06 0.00 -1.02 0.00 0.00 39.78 39.20 3m62 n ASN 595 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3m62 s SER 596 N -2.92 4.94 0.40 6.41 1.04 -1.25 -4.75 113.70 117.58 3m62 s SER 596 Ca 0.00 2.04 -0.24 0.00 0.48 0.00 0.00 55.95 58.23 3m62 s SER 596 Cb 0.00 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.44 3m62 s SER 596 CO 0.00 -1.74 0.76 -2.65 0.98 0.00 0.00 173.24 170.59 3m62 n PRO 597 N -2.52 0.89 -0.76 4.02 -0.02 -1.26 -0.81 135.00 134.54 3m62 n PRO 597 Ca 0.11 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3m62 n PRO 597 Cb 0.52 -1.71 0.16 0.00 -0.02 0.00 0.00 33.50 32.44 3m62 n PRO 597 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m62 n GLY 598 N 1.52 -0.56 0.16 -1.23 0.00 -1.22 -4.33 105.19 99.54 3m62 n GLY 598 Ca 0.11 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.57 3m62 n GLY 598 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3m62 h PHE 599 N -1.68 0.00 -0.01 1.61 -0.00 -1.75 -0.20 116.94 114.92 3m62 h PHE 599 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.53 3m62 h PHE 599 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.23 3m62 h PHE 599 CO 0.48 0.00 -0.71 -1.33 -0.00 0.00 0.00 178.31 176.74 3m62 n MET 600 N -2.34 0.52 -0.34 6.09 2.81 -0.57 -4.48 117.12 118.80 3m62 n MET 600 Ca 0.01 -0.42 0.04 0.00 -1.81 0.00 0.00 57.70 55.52 3m62 n MET 600 Cb 0.16 -1.49 0.19 0.00 -0.71 0.00 0.00 33.22 31.37 3m62 n MET 600 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3m62 h MET 601 N 1.01 0.98 -0.50 0.03 2.86 -1.12 -1.05 114.93 117.14 3m62 h MET 601 Ca 0.00 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3m62 h MET 601 Cb 0.60 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 3m62 h MET 601 CO 0.00 0.65 0.32 0.22 1.06 0.00 0.00 176.91 179.16 3m62 h ASP 602 N 1.01 0.55 -0.33 1.22 3.58 -1.79 -0.90 116.42 119.77 3m62 h ASP 602 Ca 0.44 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.85 3m62 h ASP 602 Cb 0.32 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3m62 h ASP 602 CO -0.22 0.39 0.10 0.40 -2.88 0.00 0.00 179.24 177.03 3m62 h ILE 603 N 0.65 1.21 -0.86 2.25 2.04 -1.64 -1.56 117.51 119.61 3m62 h ILE 603 Ca 0.19 -0.68 0.11 0.00 1.00 0.00 0.00 64.86 65.48 3m62 h ILE 603 Cb -0.05 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 3m62 h ILE 603 CO -0.06 0.23 0.56 -0.26 0.00 0.00 0.00 178.15 178.62 3m62 h PHE 604 N 0.37 0.86 -0.06 1.37 0.04 -0.82 0.10 116.94 118.80 3m62 h PHE 604 Ca 0.10 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 3m62 h PHE 604 Cb 0.26 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3m62 h PHE 604 CO 0.01 0.38 -0.17 1.49 -0.60 0.00 0.00 178.31 179.41 3m62 h GLU 605 N 0.78 0.22 0.00 1.51 4.81 -0.83 -3.36 114.58 117.72 3m62 h GLU 605 Ca 0.41 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3m62 h GLU 605 Cb 0.51 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3m62 h GLU 605 CO -0.17 0.77 -1.44 0.72 -0.73 0.00 0.00 179.01 178.16 3m62 n HIS 606 N -4.58 0.00 -2.64 0.92 8.25 -0.62 -4.83 115.22 111.73 3m62 n HIS 606 Ca -0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.95 3m62 n HIS 606 Cb 0.41 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 3m62 n HIS 606 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3m62 s ASP 607 N -3.47 6.68 0.21 0.41 -1.08 0.31 -4.93 116.67 114.81 3m62 s ASP 607 Ca -0.02 0.56 -0.10 0.00 -0.52 0.00 0.00 52.55 52.47 3m62 s ASP 607 Cb 0.11 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.34 3m62 s ASP 607 CO 0.68 -1.15 1.69 -0.33 0.52 0.00 0.00 175.17 176.58 3m62 h GLU 608 N 8.96 0.19 -0.90 4.34 5.08 -1.89 0.23 114.58 130.59 3m62 h GLU 608 Ca -0.23 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3m62 h GLU 608 Cb 1.06 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3m62 h GLU 608 CO 1.09 0.13 0.52 1.25 -1.00 0.00 0.00 179.01 181.00 3m62 h LEU 609 N 0.20 1.10 0.11 1.33 5.85 -1.95 -1.54 115.31 120.41 3m62 h LEU 609 Ca 0.32 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3m62 h LEU 609 Cb 0.50 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3m62 h LEU 609 CO -0.45 0.86 -0.05 0.58 -0.34 0.00 0.00 178.44 179.04 3m62 h VAL 610 N 1.25 1.05 0.00 1.05 2.07 -1.69 -3.18 116.25 116.79 3m62 h VAL 610 Ca 0.32 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3m62 h VAL 610 Cb -0.02 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3m62 h VAL 610 CO -0.06 0.15 -0.11 -0.55 0.02 0.00 0.00 177.57 177.02 3m62 h ASN 611 N -0.43 0.00 1.25 0.57 7.08 -0.32 -0.34 115.58 123.40 3m62 h ASN 611 Ca -0.01 0.00 -0.08 0.00 -3.08 0.00 0.00 56.30 53.13 3m62 h ASN 611 Cb 0.35 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.58 3m62 h ASN 611 CO 0.02 0.11 -0.38 0.11 -2.08 0.00 0.00 177.43 175.21 3m62 h LYS 612 N 0.00 0.00 0.00 4.14 1.57 -1.37 -3.41 116.57 117.50 3m62 h LYS 612 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m62 h LYS 612 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3m62 h LYS 612 CO 0.01 0.38 -1.00 0.09 -0.57 0.00 0.00 179.45 178.36 3m62 n ASN 613 N -3.32 5.00 -0.10 0.86 3.02 -0.50 -4.84 115.26 115.38 3m62 n ASN 613 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.44 3m62 n ASN 613 Cb 0.60 0.83 -0.04 0.00 -0.61 0.00 0.00 39.78 40.56 3m62 n ASN 613 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3m62 h LEU 614 N 0.00 0.58 0.40 3.41 5.85 -1.34 -1.38 115.31 122.83 3m62 h LEU 614 Ca -0.00 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 3m62 h LEU 614 Cb 0.35 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3m62 h LEU 614 CO 0.00 0.84 -0.32 0.25 -0.34 0.00 0.00 178.44 178.87 3m62 h LEU 615 N 0.32 -0.84 -0.36 2.25 5.85 -1.86 0.96 115.31 121.63 3m62 h LEU 615 Ca 0.07 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3m62 h LEU 615 Cb 0.60 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 3m62 h LEU 615 CO 0.03 -0.47 -0.21 0.22 -0.34 0.00 0.00 178.44 177.68 3m62 h TYR 616 N -0.72 -0.53 -0.72 1.25 5.03 -1.89 -1.20 116.97 118.20 3m62 h TYR 616 Ca -0.03 0.04 0.14 0.00 2.58 0.00 0.00 58.73 61.46 3m62 h TYR 616 Cb 0.62 0.29 -0.10 0.00 1.55 0.00 0.00 36.73 39.09 3m62 h TYR 616 CO -0.15 -0.28 0.24 0.00 -1.32 0.00 0.00 178.16 176.64 3m62 h ALA 617 N 1.06 0.97 -0.21 1.82 0.00 -0.81 0.15 119.26 122.24 3m62 h ALA 617 Ca 0.18 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 3m62 h ALA 617 Cb 0.43 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3m62 h ALA 617 CO -0.45 -0.27 -0.32 -0.07 0.00 0.00 0.00 179.25 178.14 3m62 h LEU 618 N 0.36 0.64 -1.10 0.00 3.38 -0.27 -1.25 115.31 117.06 3m62 h LEU 618 Ca 0.40 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3m62 h LEU 618 Cb 0.62 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3m62 h LEU 618 CO -0.43 1.04 -0.44 -0.07 0.09 0.00 0.00 178.44 178.62 3m62 h LEU 619 N 0.26 0.00 -0.01 1.67 3.38 -0.64 -1.83 115.31 118.15 3m62 h LEU 619 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3m62 h LEU 619 Cb 0.90 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.66 3m62 h LEU 619 CO 0.07 0.44 -0.44 -0.78 0.09 0.00 0.00 178.44 177.83 3m62 h ASP 620 N 0.00 0.40 -0.16 -0.43 -0.00 -0.68 -3.28 116.42 112.27 3m62 h ASP 620 Ca -0.00 -0.76 -0.03 0.00 -0.00 0.00 0.00 57.03 56.23 3m62 h ASP 620 Cb 0.81 -0.12 -0.01 0.00 -0.00 0.00 0.00 39.33 40.00 3m62 h ASP 620 CO 0.06 1.10 0.01 0.15 -0.00 0.00 0.00 179.24 180.56 3m62 h PHE 621 N -0.27 0.39 -0.42 0.28 3.57 -1.12 -2.23 116.94 117.13 3m62 h PHE 621 Ca -0.05 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.51 3m62 h PHE 621 Cb 1.16 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3m62 h PHE 621 CO 0.16 0.38 0.29 -0.92 -2.23 0.00 0.00 178.31 176.00 3m62 h TYR 622 N 0.37 0.18 0.00 0.41 3.20 -1.39 -2.39 116.97 117.35 3m62 h TYR 622 Ca 0.09 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3m62 h TYR 622 Cb 0.23 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3m62 h TYR 622 CO 0.01 0.09 -0.54 0.28 -1.64 0.00 0.00 178.16 176.36 3m62 h VAL 623 N 0.17 0.35 -1.17 1.81 2.07 -1.54 -3.38 116.25 114.56 3m62 h VAL 623 Ca 0.20 -1.37 0.33 0.00 0.82 0.00 0.00 66.70 66.68 3m62 h VAL 623 Cb 0.56 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 3m62 h VAL 623 CO -0.03 0.12 0.79 0.40 0.02 0.00 0.00 177.57 178.87 3m62 h ILE 624 N -1.00 0.40 0.00 4.57 1.08 -1.36 -0.94 117.51 120.25 3m62 h ILE 624 Ca -0.08 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3m62 h ILE 624 Cb 0.63 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3m62 h ILE 624 CO -0.05 0.04 0.00 -0.37 -0.69 0.00 0.00 178.15 177.08 3m62 h VAL 625 N 0.19 0.00 -0.51 1.67 -1.51 -1.60 -2.28 116.25 112.21 3m62 h VAL 625 Ca 0.63 -0.17 0.10 0.00 -1.23 0.00 0.00 66.70 66.03 3m62 h VAL 625 Cb 2.03 0.94 -0.10 0.00 -2.13 0.00 0.00 31.29 32.03 3m62 h VAL 625 CO -0.20 0.00 -0.15 -0.08 -1.23 0.00 0.00 177.57 175.91 3m62 h GLU 626 N 0.00 -0.03 -0.62 5.19 4.57 -1.40 -2.31 114.58 119.98 3m62 h GLU 626 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3m62 h GLU 626 Cb 0.21 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3m62 h GLU 626 CO 0.00 -0.02 0.00 0.36 -1.18 0.00 0.00 179.01 178.17 3m62 n LYS 627 N -5.38 0.55 -2.13 1.92 2.85 -0.86 -4.62 118.16 110.50 3m62 n LYS 627 Ca 0.05 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.97 3m62 n LYS 627 Cb 0.28 -1.27 -0.04 0.00 -0.65 0.00 0.00 35.03 33.35 3m62 n LYS 627 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3m62 n THR 628 N 0.26 2.55 0.00 0.58 5.66 -0.87 -4.86 114.28 117.60 3m62 n THR 628 Ca 0.00 -2.61 0.00 0.00 -3.05 0.00 0.00 64.05 58.39 3m62 n THR 628 Cb 0.15 -2.25 0.00 0.00 -1.55 0.00 0.00 70.33 66.68 3m62 n THR 628 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3m62 n GLY 629 N 5.52 -1.36 3.78 1.09 0.00 -1.26 -4.34 105.19 108.61 3m62 n GLY 629 Ca 0.47 0.11 -0.37 0.00 0.00 0.00 0.00 46.02 46.23 3m62 n GLY 629 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m62 s SER 630 N -2.68 7.21 0.00 1.61 1.04 -1.26 -5.03 113.70 114.58 3m62 s SER 630 Ca 0.00 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.36 3m62 s SER 630 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 3m62 s SER 630 CO 0.00 -0.17 0.00 -1.20 0.98 0.00 0.00 173.24 172.85 3m62 n SER 631 N 0.52 0.00 -3.58 7.02 7.64 -1.26 -5.10 113.62 118.86 3m62 n SER 631 Ca 0.02 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.75 3m62 n SER 631 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 3m62 n SER 631 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3m62 s SER 632 N 0.00 -0.68 0.26 6.43 0.01 -1.26 -5.07 113.70 113.40 3m62 s SER 632 Ca 0.00 1.03 -0.25 0.00 1.31 0.00 0.00 55.95 58.04 3m62 s SER 632 Cb 0.00 0.95 -0.16 0.00 0.21 0.00 0.00 66.02 67.01 3m62 s SER 632 CO 0.00 -0.42 0.37 0.00 0.41 0.00 0.00 173.24 173.60 3m62 n GLN 633 N 1.73 0.00 -1.02 12.44 0.00 -1.26 -4.21 117.38 125.06 3m62 n GLN 633 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 57.00 56.61 3m62 n GLN 633 Cb 0.56 -0.98 0.18 0.00 0.00 0.00 0.00 30.24 30.01 3m62 n GLN 633 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3m62 n PHE 634 N -0.34 -3.79 -1.03 2.61 3.72 -1.26 -4.87 117.46 112.52 3m62 n PHE 634 Ca 0.15 -0.82 -0.01 0.00 -0.05 0.00 0.00 57.45 56.73 3m62 n PHE 634 Cb 0.29 -0.86 -0.00 0.00 -0.94 0.00 0.00 39.48 37.97 3m62 n PHE 634 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3m62 n TYR 635 N -4.07 0.00 -0.56 1.38 4.02 -1.26 -5.00 117.16 111.67 3m62 n TYR 635 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.81 3m62 n TYR 635 Cb 0.46 -2.00 0.02 0.00 -0.02 0.00 0.00 39.34 37.80 3m62 n TYR 635 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3m62 n ASP 636 N -0.98 -3.33 0.20 7.72 2.03 -1.26 -4.65 116.55 116.28 3m62 n ASP 636 Ca -0.01 0.11 0.06 0.00 0.52 0.00 0.00 54.79 55.47 3m62 n ASP 636 Cb 0.49 -0.42 0.40 0.00 -0.72 0.00 0.00 41.12 40.87 3m62 n ASP 636 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3m62 h LYS 637 N -0.54 0.00 0.05 -0.67 2.10 -1.95 -1.13 116.57 114.43 3m62 h LYS 637 Ca -0.24 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.17 3m62 h LYS 637 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 3m62 h LYS 637 CO 0.13 0.34 -1.08 0.74 -2.00 0.00 0.00 179.45 177.58 3m62 h PHE 638 N 0.00 0.25 -0.13 0.07 0.04 -1.95 -1.16 116.94 114.06 3m62 h PHE 638 Ca -0.00 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.53 3m62 h PHE 638 Cb 0.75 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 3m62 h PHE 638 CO 0.00 1.11 -0.17 -0.91 -0.60 0.00 0.00 178.31 177.75 3m62 h ASN 639 N 0.05 0.36 -0.91 2.17 2.35 -1.81 -1.20 115.58 116.59 3m62 h ASN 639 Ca -0.07 -0.51 0.05 0.00 -0.55 0.00 0.00 56.30 55.22 3m62 h ASN 639 Cb 1.81 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 40.02 3m62 h ASN 639 CO 0.16 0.80 0.58 0.28 -1.65 0.00 0.00 177.43 177.61 3m62 h SER 640 N -0.07 0.94 -0.04 5.81 0.02 -1.25 0.18 113.55 119.14 3m62 h SER 640 Ca 0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 3m62 h SER 640 Cb 0.72 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3m62 h SER 640 CO 0.04 0.63 -0.37 0.03 -1.14 0.00 0.00 176.83 176.01 3m62 h ARG 641 N 1.09 0.54 -0.08 3.45 3.08 -1.05 0.15 114.38 121.57 3m62 h ARG 641 Ca 0.38 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3m62 h ARG 641 Cb 0.09 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3m62 h ARG 641 CO -0.15 0.83 0.04 -0.92 -1.07 0.00 0.00 179.97 178.71 3m62 h TYR 642 N 0.45 0.12 -0.88 3.04 3.20 -0.44 -0.43 116.97 122.03 3m62 h TYR 642 Ca 0.05 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3m62 h TYR 642 Cb 0.85 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 3m62 h TYR 642 CO 0.03 0.18 0.51 0.77 -1.64 0.00 0.00 178.16 178.02 3m62 h SER 643 N 0.02 1.07 -0.37 -2.11 0.02 -0.31 -2.15 113.55 109.71 3m62 h SER 643 Ca 0.03 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3m62 h SER 643 Cb 0.11 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3m62 h SER 643 CO -0.00 0.83 -0.05 0.40 -1.14 0.00 0.00 176.83 176.87 3m62 h ILE 644 N 1.21 1.25 -0.59 3.27 2.04 -0.46 -3.00 117.51 121.24 3m62 h ILE 644 Ca 0.31 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 3m62 h ILE 644 Cb -0.02 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3m62 h ILE 644 CO -0.06 0.37 0.09 0.28 0.00 0.00 0.00 178.15 178.84 3m62 h SER 645 N 0.72 0.91 -0.25 1.72 0.02 -0.44 0.27 113.55 116.50 3m62 h SER 645 Ca 0.13 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3m62 h SER 645 Cb 0.51 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3m62 h SER 645 CO 0.03 0.92 0.03 0.40 -1.14 0.00 0.00 176.83 177.06 3m62 h ILE 646 N 0.90 0.86 -0.47 3.27 2.04 -1.32 0.05 117.51 122.85 3m62 h ILE 646 Ca 0.18 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 3m62 h ILE 646 Cb 0.40 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3m62 h ILE 646 CO 0.01 0.02 -0.08 0.40 0.00 0.00 0.00 178.15 178.50 3m62 h ILE 647 N 0.12 1.27 -0.59 -0.67 2.04 -1.38 -1.86 117.51 116.43 3m62 h ILE 647 Ca 0.11 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3m62 h ILE 647 Cb 0.13 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3m62 h ILE 647 CO -0.17 0.41 0.33 -0.07 0.00 0.00 0.00 178.15 178.66 3m62 h LEU 648 N 0.74 0.73 -0.24 1.44 3.38 -0.60 0.47 115.31 121.22 3m62 h LEU 648 Ca 0.12 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3m62 h LEU 648 Cb 0.62 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3m62 h LEU 648 CO 0.04 0.60 -0.09 -0.08 0.09 0.00 0.00 178.44 179.00 3m62 h GLU 649 N 0.79 0.48 -0.47 1.13 4.81 -0.84 -2.48 114.58 118.00 3m62 h GLU 649 Ca 0.21 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 3m62 h GLU 649 Cb 0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3m62 h GLU 649 CO -0.04 0.73 -0.22 0.93 -0.73 0.00 0.00 179.01 179.69 3m62 h GLU 650 N 0.21 0.95 -0.29 1.92 4.39 -1.17 -1.55 114.58 119.04 3m62 h GLU 650 Ca 0.06 -0.40 0.05 0.00 0.34 0.00 0.00 59.36 59.41 3m62 h GLU 650 Cb 0.57 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 3m62 h GLU 650 CO 0.03 1.07 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.83 3m62 h LEU 651 N 0.82 -0.21 -1.04 1.33 3.38 -0.87 -1.90 115.31 116.81 3m62 h LEU 651 Ca 0.11 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3m62 h LEU 651 Cb 0.78 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3m62 h LEU 651 CO 0.07 -0.07 0.12 0.22 0.09 0.00 0.00 178.44 178.86 3m62 h TYR 652 N 0.03 0.83 -0.09 1.13 3.20 -1.29 0.49 116.97 121.27 3m62 h TYR 652 Ca 0.14 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3m62 h TYR 652 Cb 0.20 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3m62 h TYR 652 CO -0.25 0.70 -0.18 1.88 -1.64 0.00 0.00 178.16 178.67 3m62 h TYR 653 N 0.77 0.35 0.00 -3.82 0.05 -1.06 -3.40 116.97 109.86 3m62 h TYR 653 Ca 0.17 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3m62 h TYR 653 Cb 0.30 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.97 3m62 h TYR 653 CO 0.02 0.79 -0.93 1.63 -1.05 0.00 0.00 178.16 178.62 3m62 n LYS 654 N -4.56 2.08 -3.82 4.88 5.02 -0.73 -4.88 118.16 116.16 3m62 n LYS 654 Ca -0.07 -0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 55.87 3m62 n LYS 654 Cb 0.40 -1.14 -0.15 0.00 -0.02 0.00 0.00 35.03 34.12 3m62 n LYS 654 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3m62 s ILE 655 N -2.39 1.26 0.26 -0.18 1.01 0.15 -5.01 121.20 116.31 3m62 s ILE 655 Ca 0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.04 3m62 s ILE 655 Cb 0.08 -1.92 0.25 0.00 0.01 0.00 0.00 42.46 40.89 3m62 s ILE 655 CO 0.49 -0.61 1.83 -0.65 0.00 0.00 0.00 174.94 176.00 3m62 h PRO 656 N 7.96 0.93 -0.81 2.79 0.11 -1.89 -0.79 132.00 140.30 3m62 h PRO 656 Ca -0.11 -0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.07 3m62 h PRO 656 Cb 1.02 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 31.86 3m62 h PRO 656 CO 0.48 0.61 0.53 0.66 -0.21 0.00 0.00 178.00 180.07 3m62 h SER 657 N 0.95 0.56 0.62 -2.05 4.64 -1.95 0.11 113.55 116.44 3m62 h SER 657 Ca 0.45 0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.58 3m62 h SER 657 Cb 0.38 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3m62 h SER 657 CO -0.24 0.30 -0.96 1.88 -0.87 0.00 0.00 176.83 176.94 3m62 h TYR 658 N 0.61 0.32 -0.27 4.77 -1.99 -1.45 -1.04 116.97 117.91 3m62 h TYR 658 Ca 0.39 -0.19 -0.00 0.00 2.00 0.00 0.00 58.73 60.93 3m62 h TYR 658 Cb 0.68 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 3m62 h TYR 658 CO -0.00 1.04 0.17 -0.22 -0.00 0.00 0.00 178.16 179.15 3m62 h LYS 659 N 0.10 0.37 -0.71 4.88 3.64 -0.72 -1.20 116.57 122.93 3m62 h LYS 659 Ca -0.06 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3m62 h LYS 659 Cb 1.62 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 3m62 h LYS 659 CO 0.15 0.28 0.28 -0.91 -2.27 0.00 0.00 179.45 176.98 3m62 h ASN 660 N 0.35 0.97 0.11 4.20 2.35 -0.75 -1.94 115.58 120.87 3m62 h ASN 660 Ca 0.10 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 3m62 h ASN 660 Cb 0.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3m62 h ASN 660 CO -0.02 0.87 -0.24 1.56 -1.65 0.00 0.00 177.43 177.94 3m62 h GLN 661 N 1.03 0.23 -0.00 0.81 4.20 -1.00 0.17 115.11 120.55 3m62 h GLN 661 Ca 0.24 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3m62 h GLN 661 Cb 0.20 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3m62 h GLN 661 CO -0.02 0.47 -0.00 1.25 -0.67 0.00 0.00 178.83 179.86 3m62 h LEU 662 N 0.21 0.01 -0.68 1.46 5.85 -0.85 -0.33 115.31 120.99 3m62 h LEU 662 Ca 0.04 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.42 3m62 h LEU 662 Cb 0.55 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3m62 h LEU 662 CO 0.04 0.40 0.38 0.40 -0.34 0.00 0.00 178.44 179.32 3m62 h ILE 663 N -0.39 0.96 -0.20 4.05 2.04 -1.21 -2.18 117.51 120.58 3m62 h ILE 663 Ca 0.00 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.67 3m62 h ILE 663 Cb 0.40 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3m62 h ILE 663 CO 0.00 0.13 -0.06 -0.25 0.00 0.00 0.00 178.15 177.97 3m62 h TRP 664 N 0.69 -0.13 -0.79 1.37 7.01 -0.88 -1.72 115.95 121.50 3m62 h TRP 664 Ca 0.31 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.39 3m62 h TRP 664 Cb 0.20 0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.30 3m62 h TRP 664 CO -0.08 -0.10 0.52 1.96 -2.79 0.00 0.00 178.44 177.95 3m62 h GLN 665 N -0.01 0.82 0.00 2.65 1.08 -0.70 0.11 115.11 119.05 3m62 h GLN 665 Ca 0.10 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 3m62 h GLN 665 Cb 0.17 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3m62 h GLN 665 CO -0.22 0.54 -0.26 0.66 -0.95 0.00 0.00 178.83 178.61 3m62 h SER 666 N 0.84 0.00 0.01 1.46 4.64 -0.73 -0.44 113.55 119.34 3m62 h SER 666 Ca 0.34 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.29 3m62 h SER 666 Cb 0.26 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.28 3m62 h SER 666 CO -0.12 0.26 -2.39 0.00 -0.87 0.00 0.00 176.83 173.70 3m62 n GLN 667 N -3.33 0.68 0.00 4.77 6.02 -0.72 -4.27 117.38 120.52 3m62 n GLN 667 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3m62 n GLN 667 Cb 0.49 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3m62 n GLN 667 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3m62 n ASN 668 N -2.85 0.41 -2.74 1.08 5.03 0.32 -4.63 115.26 111.88 3m62 n ASN 668 Ca -0.35 -0.70 -0.10 0.00 0.87 0.00 0.00 54.58 54.30 3m62 n ASN 668 Cb 1.13 0.55 0.04 0.00 -1.02 0.00 0.00 39.78 40.47 3m62 n ASN 668 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3m62 n ASN 669 N -0.55 0.80 -0.33 6.41 4.05 -0.19 -4.98 115.26 120.47 3m62 n ASN 669 Ca 0.00 -2.74 0.07 0.00 0.45 0.00 0.00 54.58 52.35 3m62 n ASN 669 Cb 0.00 -0.26 0.23 0.00 1.23 0.00 0.00 39.78 40.98 3m62 n ASN 669 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3m62 h ALA 670 N 2.86 1.40 -0.76 5.20 0.00 -1.69 -1.82 119.26 124.46 3m62 h ALA 670 Ca -0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3m62 h ALA 670 Cb 1.17 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3m62 h ALA 670 CO 0.41 0.12 0.47 -0.44 0.00 0.00 0.00 179.25 179.81 3m62 h ASP 671 N 0.86 0.90 -0.15 0.00 3.32 -1.93 0.80 116.42 120.21 3m62 h ASP 671 Ca 0.47 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 57.26 3m62 h ASP 671 Cb 0.52 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.85 3m62 h ASP 671 CO -0.29 0.68 -0.75 0.15 -1.72 0.00 0.00 179.24 177.31 3m62 h PHE 672 N 1.04 1.05 -0.19 4.55 3.57 -1.70 -3.09 116.94 122.17 3m62 h PHE 672 Ca 0.27 -0.46 -0.21 0.00 3.53 0.00 0.00 57.97 61.10 3m62 h PHE 672 Cb -0.06 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.52 3m62 h PHE 672 CO 0.00 1.29 -0.72 0.35 -2.23 0.00 0.00 178.31 177.01 3m62 h PHE 673 N 0.51 1.09 -0.02 0.41 3.57 -0.58 -2.85 116.94 119.08 3m62 h PHE 673 Ca -0.05 -0.45 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 3m62 h PHE 673 Cb 1.38 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 3m62 h PHE 673 CO 0.09 1.29 -0.11 -0.39 -2.23 0.00 0.00 178.31 176.96 3m62 h VAL 674 N 0.58 1.09 -0.32 1.41 -1.51 0.49 -2.01 116.25 115.98 3m62 h VAL 674 Ca -0.03 -0.42 -0.06 0.00 -1.23 0.00 0.00 66.70 64.95 3m62 h VAL 674 Cb 1.34 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 3m62 h VAL 674 CO 0.15 0.12 -0.03 -0.09 -1.23 0.00 0.00 177.57 176.50 3m62 h ARG 675 N 0.03 0.59 -0.34 5.19 2.43 -1.42 0.18 114.38 121.04 3m62 h ARG 675 Ca 0.00 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3m62 h ARG 675 Cb 0.21 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3m62 h ARG 675 CO 0.01 0.74 0.15 0.35 -1.51 0.00 0.00 179.97 179.71 3m62 h PHE 676 N 0.38 0.27 -0.05 2.20 3.57 -1.41 -2.40 116.94 119.49 3m62 h PHE 676 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3m62 h PHE 676 Cb 0.49 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3m62 h PHE 676 CO 0.04 0.13 0.01 0.28 -2.23 0.00 0.00 178.31 176.54 3m62 h VAL 677 N 0.31 1.22 -0.76 1.41 2.07 -0.65 -1.57 116.25 118.27 3m62 h VAL 677 Ca 0.15 -0.66 0.16 0.00 0.82 0.00 0.00 66.70 67.17 3m62 h VAL 677 Cb 0.08 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 3m62 h VAL 677 CO -0.12 0.18 0.26 0.00 0.02 0.00 0.00 177.57 177.91 3m62 h ALA 678 N 0.76 1.06 -0.12 1.67 0.00 -0.70 0.43 119.26 122.35 3m62 h ALA 678 Ca 0.02 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3m62 h ALA 678 Cb 0.28 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3m62 h ALA 678 CO 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 179.25 179.02 3m62 h ARG 679 N 0.37 0.18 -0.86 0.00 2.47 -1.07 0.24 114.38 115.70 3m62 h ARG 679 Ca 0.43 -0.04 0.10 0.00 -1.26 0.00 0.00 59.98 59.22 3m62 h ARG 679 Cb 0.71 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.92 3m62 h ARG 679 CO -0.46 0.31 0.50 1.98 0.56 0.00 0.00 179.97 182.86 3m62 h MET 680 N 0.03 0.80 -0.12 0.04 4.05 -0.64 -0.91 114.93 118.17 3m62 h MET 680 Ca 0.04 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3m62 h MET 680 Cb 0.19 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 3m62 h MET 680 CO -0.00 0.53 -0.03 1.25 0.23 0.00 0.00 176.91 178.89 3m62 h LEU 681 N 0.82 0.23 -0.61 3.39 6.46 0.39 -2.20 115.31 123.79 3m62 h LEU 681 Ca 0.42 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3m62 h LEU 681 Cb 0.41 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 3m62 h LEU 681 CO -0.26 0.55 0.32 -1.13 -0.62 0.00 0.00 178.44 177.30 3m62 h ASN 682 N -0.08 0.78 -0.55 1.25 -1.24 0.02 -0.50 115.58 115.27 3m62 h ASN 682 Ca 0.03 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 3m62 h ASN 682 Cb 0.44 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 3m62 h ASN 682 CO 0.01 0.67 0.29 0.44 -1.29 0.00 0.00 177.43 177.55 3m62 h ASP 683 N 0.84 0.72 0.52 1.15 3.32 -1.16 -1.97 116.42 119.83 3m62 h ASP 683 Ca 0.21 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3m62 h ASP 683 Cb 0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3m62 h ASP 683 CO -0.03 0.60 0.00 -0.11 -1.72 0.00 0.00 179.24 177.98 3m62 n LEU 684 N -4.37 0.05 0.14 1.55 7.94 -0.23 -1.65 117.00 120.44 3m62 n LEU 684 Ca 0.05 0.51 -0.01 0.00 -1.11 0.00 0.00 56.01 55.46 3m62 n LEU 684 Cb 0.12 -0.51 0.23 0.00 0.53 0.00 0.00 43.42 43.79 3m62 n LEU 684 CO 0.37 -0.27 0.57 0.71 -1.11 0.00 0.00 177.39 177.67 3m62 h THR 685 N 0.00 1.38 0.00 1.96 1.35 -1.01 -3.37 112.91 113.22 3m62 h THR 685 Ca 0.00 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3m62 h THR 685 Cb 0.26 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3m62 h THR 685 CO 0.00 0.52 -0.80 2.22 -0.25 0.00 0.00 175.52 177.21 3m62 n PHE 686 N -3.92 0.00 -0.29 4.73 1.16 -0.73 -4.81 117.46 113.60 3m62 n PHE 686 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.51 3m62 n PHE 686 Cb 0.54 -0.06 0.07 0.00 -1.61 0.00 0.00 39.48 38.42 3m62 n PHE 686 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3m62 h LEU 687 N 0.00 1.05 -0.25 5.98 3.38 -1.48 0.13 115.31 124.13 3m62 h LEU 687 Ca 0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3m62 h LEU 687 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3m62 h LEU 687 CO 0.00 0.89 0.03 0.25 0.09 0.00 0.00 178.44 179.70 3m62 h LEU 688 N 1.13 0.41 -0.52 1.67 5.85 -1.83 -0.41 115.31 121.62 3m62 h LEU 688 Ca 0.27 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3m62 h LEU 688 Cb 0.13 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 3m62 h LEU 688 CO -0.03 0.58 -0.08 0.44 -0.34 0.00 0.00 178.44 179.01 3m62 h ASP 689 N 0.21 -0.37 -0.71 1.25 3.32 -1.73 0.15 116.42 118.54 3m62 h ASP 689 Ca 0.07 0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 3m62 h ASP 689 Cb 0.36 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3m62 h ASP 689 CO 0.01 -0.14 0.17 -0.08 -1.72 0.00 0.00 179.24 177.48 3m62 h GLU 690 N 0.04 1.15 -0.09 3.56 4.57 -0.64 0.36 114.58 123.54 3m62 h GLU 690 Ca 0.25 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3m62 h GLU 690 Cb 0.39 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3m62 h GLU 690 CO -0.49 1.01 0.03 0.78 -1.18 0.00 0.00 179.01 179.16 3m62 h GLY 691 N 1.09 0.15 0.97 1.92 0.00 -0.44 -1.04 103.07 105.72 3m62 h GLY 691 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3m62 h GLY 691 CO 0.00 0.08 0.22 1.41 0.00 0.00 0.00 176.54 178.25 3m62 h LEU 692 N -0.03 0.48 -0.50 3.11 3.38 -0.46 -0.78 115.31 120.51 3m62 h LEU 692 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m62 h LEU 692 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3m62 h LEU 692 CO -0.00 0.42 0.32 -1.28 0.09 0.00 0.00 178.44 177.99 3m62 h SER 693 N 0.51 0.59 -0.66 -0.43 0.87 -0.24 0.58 113.55 114.77 3m62 h SER 693 Ca 0.14 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3m62 h SER 693 Cb 0.04 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3m62 h SER 693 CO -0.02 0.45 0.22 0.78 -0.53 0.00 0.00 176.83 177.73 3m62 h ASN 694 N 0.68 0.97 -0.31 6.23 2.35 -1.09 -1.13 115.58 123.27 3m62 h ASN 694 Ca 0.18 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3m62 h ASN 694 Cb -0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3m62 h ASN 694 CO -0.04 0.90 0.17 -0.07 -1.65 0.00 0.00 177.43 176.74 3m62 h LEU 695 N 1.01 0.42 -0.30 1.61 3.38 -0.51 -1.32 115.31 119.60 3m62 h LEU 695 Ca 0.22 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.98 3m62 h LEU 695 Cb 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3m62 h LEU 695 CO -0.01 0.36 -0.85 0.00 0.09 0.00 0.00 178.44 178.02 3m62 h ALA 696 N 1.71 0.59 -0.24 1.53 0.00 -0.34 -2.82 119.26 119.69 3m62 h ALA 696 Ca 0.12 -0.76 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 3m62 h ALA 696 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3m62 h ALA 696 CO -0.02 1.03 -0.38 1.49 0.00 0.00 0.00 179.25 181.38 3m62 h GLU 697 N 0.02 0.54 -0.40 0.00 4.57 -0.83 -0.94 114.58 117.53 3m62 h GLU 697 Ca -0.02 -0.26 0.07 0.00 -1.18 0.00 0.00 59.36 57.97 3m62 h GLU 697 Cb 1.50 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 30.03 3m62 h GLU 697 CO 0.11 0.83 0.04 0.28 -1.18 0.00 0.00 179.01 179.10 3m62 h VAL 698 N 0.45 0.75 -0.43 0.32 2.07 -1.20 -1.13 116.25 117.09 3m62 h VAL 698 Ca 0.04 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3m62 h VAL 698 Cb 0.86 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3m62 h VAL 698 CO 0.07 0.03 -0.08 0.45 0.02 0.00 0.00 177.57 178.06 3m62 h HIS 699 N 0.15 0.81 -0.36 1.57 3.86 -1.21 0.22 115.15 120.19 3m62 h HIS 699 Ca 0.19 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3m62 h HIS 699 Cb 0.26 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 3m62 h HIS 699 CO -0.23 0.80 0.22 -0.91 0.86 0.00 0.00 177.93 178.66 3m62 h ASN 700 N 0.68 0.37 0.26 2.45 2.35 -0.98 -0.55 115.58 120.15 3m62 h ASN 700 Ca 0.12 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3m62 h ASN 700 Cb 0.54 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3m62 h ASN 700 CO 0.03 0.26 -0.12 0.40 -1.65 0.00 0.00 177.43 176.35 3m62 h ILE 701 N 0.45 0.79 -0.80 2.81 2.04 -1.01 -1.34 117.51 120.45 3m62 h ILE 701 Ca 0.14 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.65 3m62 h ILE 701 Cb -0.02 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 3m62 h ILE 701 CO -0.05 0.10 0.42 1.56 0.00 0.00 0.00 178.15 180.18 3m62 h GLN 702 N -0.59 0.66 -0.07 2.37 1.08 -0.51 -1.08 115.11 116.96 3m62 h GLN 702 Ca -0.04 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 3m62 h GLN 702 Cb 0.43 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3m62 h GLN 702 CO 0.06 0.44 -0.45 -0.91 -0.95 0.00 0.00 178.83 177.01 3m62 h ASN 703 N 0.68 0.16 -0.65 1.46 4.21 -1.09 -2.04 115.58 118.32 3m62 h ASN 703 Ca 0.41 -0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.78 3m62 h ASN 703 Cb 0.47 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.59 3m62 h ASN 703 CO -0.29 0.60 0.15 -0.08 -1.29 0.00 0.00 177.43 176.51 3m62 h GLU 704 N 0.13 1.07 -0.37 0.81 4.57 -0.53 -2.96 114.58 117.30 3m62 h GLU 704 Ca 0.01 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 3m62 h GLU 704 Cb 0.85 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3m62 h GLU 704 CO 0.07 0.95 0.21 -0.07 -1.18 0.00 0.00 179.01 178.99 3m62 h LEU 705 N 1.01 0.46 -2.03 1.64 4.07 -0.98 -3.16 115.31 116.32 3m62 h LEU 705 Ca 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 3m62 h LEU 705 Cb 0.38 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 3m62 h LEU 705 CO 0.00 0.41 -0.07 0.44 -1.08 0.00 0.00 178.44 178.15 3m62 h ASP 706 N 0.47 0.00 -0.28 -0.43 5.19 -1.26 -3.38 116.42 116.74 3m62 h ASP 706 Ca 0.13 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.57 3m62 h ASP 706 Cb 0.05 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 3m62 h ASP 706 CO -0.02 0.07 -0.16 -0.46 -3.12 0.00 0.00 179.24 175.55 3m62 n ASN 707 N -4.13 -0.29 0.00 6.45 0.23 -1.13 -4.77 115.26 111.62 3m62 n ASN 707 Ca -0.03 0.49 0.00 0.00 -0.53 0.00 0.00 54.58 54.51 3m62 n ASN 707 Cb 0.15 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3m62 n ASN 707 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3m62 n ARG 708 N -4.35 0.00 0.13 -3.83 3.00 -1.26 -3.90 116.66 106.45 3m62 n ARG 708 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.90 3m62 n ARG 708 Cb 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 32.46 31.68 3m62 n ARG 708 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3m62 h ALA 709 N 0.00 0.71 -2.39 5.13 0.00 -1.98 -3.50 119.26 117.23 3m62 h ALA 709 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3m62 h ALA 709 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3m62 h ALA 709 CO 0.00 0.54 -0.59 -2.13 0.00 0.00 0.00 179.25 177.07 3m62 n ARG 710 N -3.10 -2.89 0.00 0.00 0.63 -1.25 -5.04 116.66 105.01 3m62 n ARG 710 Ca 0.00 2.17 0.00 0.00 -0.92 0.00 0.00 57.85 59.10 3m62 n ARG 710 Cb 0.71 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 31.14 3m62 n ARG 710 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m62 n GLY 711 N -1.16 1.05 3.65 5.14 0.00 -1.26 -4.96 105.19 107.65 3m62 n GLY 711 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3m62 n GLY 711 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m62 s ALA 712 N -4.32 3.56 -1.30 4.61 0.00 -1.26 -5.16 121.76 117.89 3m62 s ALA 712 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 3m62 s ALA 712 Cb 0.00 -2.90 0.15 0.00 0.00 0.00 0.00 23.12 20.36 3m62 s ALA 712 CO 0.00 -0.58 2.08 -0.35 0.00 0.00 0.00 175.76 176.91 3m62 n PRO 713 N 5.13 4.01 -3.57 0.00 -0.04 -1.26 -4.54 135.00 134.73 3m62 n PRO 713 Ca -0.03 -3.49 -0.34 0.00 -0.04 0.00 0.00 63.50 59.60 3m62 n PRO 713 Cb 0.50 -2.80 -0.05 0.00 -0.04 0.00 0.00 33.50 31.10 3m62 n PRO 713 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3m62 s ARG 716 N -0.23 3.74 0.00 0.54 3.52 -1.26 -5.11 118.95 120.16 3m62 s ARG 716 Ca 0.45 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 3m62 s ARG 716 Cb 0.13 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 3m62 s ARG 716 CO -0.03 0.51 0.66 -1.91 -0.81 0.00 0.00 175.30 173.72 3m62 n GLU 717 N 0.59 0.87 0.00 5.12 2.13 -1.26 -4.91 120.64 123.18 3m62 n GLU 717 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 3m62 n GLU 717 Cb 0.52 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 31.03 3m62 n GLU 717 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3m62 n GLU 718 N -0.23 0.00 -4.33 5.31 4.71 -1.26 -3.17 120.64 121.67 3m62 n GLU 718 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 3m62 n GLU 718 Cb 0.10 0.00 -0.17 0.00 -1.01 0.00 0.00 31.44 30.36 3m62 n GLU 718 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 3m62 s GLU 719 N 0.00 1.86 0.20 3.49 2.56 -1.26 -5.04 118.70 120.51 3m62 s GLU 719 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 54.97 54.49 3m62 s GLU 719 Cb 0.00 -1.65 0.33 0.00 2.00 0.00 0.00 34.13 34.81 3m62 s GLU 719 CO 0.00 -0.10 1.09 -3.47 -0.56 0.00 0.00 175.26 172.22 3m62 n ASP 720 N 4.29 -0.25 0.02 -1.70 -0.08 -1.19 0.14 116.55 117.79 3m62 n ASP 720 Ca -0.19 1.20 -0.02 0.00 -1.51 0.00 0.00 54.79 54.28 3m62 n ASP 720 Cb 0.51 -0.36 0.26 0.00 2.34 0.00 0.00 41.12 43.86 3m62 n ASP 720 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3m62 h LYS 721 N 0.00 0.46 0.00 -0.67 2.10 -1.96 -2.25 116.57 114.25 3m62 h LYS 721 Ca 0.34 -0.14 -0.08 0.00 -2.00 0.00 0.00 60.65 58.77 3m62 h LYS 721 Cb 0.52 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 3m62 h LYS 721 CO -0.72 0.61 -0.39 1.49 -2.00 0.00 0.00 179.45 178.44 3m62 h GLU 722 N 0.42 0.00 -0.34 0.07 4.81 0.79 -1.33 114.58 119.00 3m62 h GLU 722 Ca 0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3m62 h GLU 722 Cb 0.52 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3m62 h GLU 722 CO 0.03 0.39 0.03 -0.07 -0.73 0.00 0.00 179.01 178.66 3m62 h LEU 723 N 0.00 0.57 -1.01 1.64 3.38 -0.47 0.41 115.31 119.84 3m62 h LEU 723 Ca -0.00 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3m62 h LEU 723 Cb 0.75 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3m62 h LEU 723 CO 0.05 0.71 0.01 1.56 0.09 0.00 0.00 178.44 180.86 3m62 h GLN 724 N 0.40 0.72 -0.25 1.13 4.20 -1.10 1.15 115.11 121.36 3m62 h GLN 724 Ca 0.10 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3m62 h GLN 724 Cb 0.40 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3m62 h GLN 724 CO 0.01 0.73 0.07 1.15 -0.67 0.00 0.00 178.83 180.12 3m62 h THR 725 N 0.68 1.20 -0.12 -0.54 2.02 -1.08 -0.32 112.91 114.76 3m62 h THR 725 Ca 0.14 -0.66 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 3m62 h THR 725 Cb 0.41 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3m62 h THR 725 CO 0.02 0.21 -0.43 -0.09 0.37 0.00 0.00 175.52 175.59 3m62 h ARG 726 N 0.23 0.27 -0.23 6.66 2.43 0.54 0.65 114.38 124.94 3m62 h ARG 726 Ca 0.08 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3m62 h ARG 726 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3m62 h ARG 726 CO -0.00 0.66 -0.20 1.25 -1.51 0.00 0.00 179.97 180.17 3m62 h LEU 727 N 0.22 0.57 -0.53 3.80 6.46 0.14 -0.66 115.31 125.31 3m62 h LEU 727 Ca 0.02 -0.46 -0.02 0.00 -0.12 0.00 0.00 57.88 57.29 3m62 h LEU 727 Cb 0.86 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.61 3m62 h LEU 727 CO 0.07 0.91 0.25 0.00 -0.62 0.00 0.00 178.44 179.05 3m62 h ALA 728 N 0.68 0.69 -0.71 1.25 0.00 -0.98 -2.04 119.26 118.16 3m62 h ALA 728 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3m62 h ALA 728 Cb 0.74 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3m62 h ALA 728 CO 0.05 0.27 0.44 1.03 0.00 0.00 0.00 179.25 181.04 3m62 h SER 729 N 0.72 0.72 0.10 0.00 0.87 -0.80 0.91 113.55 116.06 3m62 h SER 729 Ca 0.18 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 3m62 h SER 729 Cb 0.14 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 3m62 h SER 729 CO -0.02 0.49 -0.36 0.00 -0.53 0.00 0.00 176.83 176.41 3m62 h ALA 730 N 1.31 1.07 -0.13 6.23 0.00 -1.06 -1.82 119.26 124.85 3m62 h ALA 730 Ca 0.29 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3m62 h ALA 730 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3m62 h ALA 730 CO -0.12 0.58 0.01 0.77 0.00 0.00 0.00 179.25 180.50 3m62 h SER 731 N 0.31 0.23 0.03 0.00 0.02 -0.75 0.16 113.55 113.55 3m62 h SER 731 Ca 0.03 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3m62 h SER 731 Cb 0.78 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 3m62 h SER 731 CO 0.06 0.47 -0.27 0.03 -1.14 0.00 0.00 176.83 175.97 3m62 h ARG 732 N -0.02 -0.42 -0.50 3.45 3.08 -0.74 -2.06 114.38 117.16 3m62 h ARG 732 Ca 0.04 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3m62 h ARG 732 Cb 0.35 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3m62 h ARG 732 CO 0.01 -0.28 0.12 0.37 -1.07 0.00 0.00 179.97 179.12 3m62 h GLN 733 N -0.44 0.76 -0.49 0.04 5.75 -1.25 -0.85 115.11 118.64 3m62 h GLN 733 Ca 0.05 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3m62 h GLN 733 Cb 0.51 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3m62 h GLN 733 CO -0.22 0.69 0.32 0.00 -2.65 0.00 0.00 178.83 176.98 3m62 h ALA 734 N 1.39 0.63 -0.23 3.38 0.00 -0.76 -1.47 119.26 122.20 3m62 h ALA 734 Ca 0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3m62 h ALA 734 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3m62 h ALA 734 CO -0.00 0.08 -0.24 -0.22 0.00 0.00 0.00 179.25 178.87 3m62 h LYS 735 N 0.67 0.56 -0.34 0.00 3.64 -0.85 -1.08 116.57 119.18 3m62 h LYS 735 Ca 0.18 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3m62 h LYS 735 Cb -0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3m62 h LYS 735 CO -0.04 0.89 0.14 1.03 -2.27 0.00 0.00 179.45 179.20 3m62 h SER 736 N 0.26 0.46 -0.18 4.20 0.87 -1.13 0.25 113.55 118.28 3m62 h SER 736 Ca 0.03 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3m62 h SER 736 Cb 0.80 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3m62 h SER 736 CO 0.06 0.50 0.01 0.28 -0.53 0.00 0.00 176.83 177.15 3m62 h SER 737 N 0.40 0.31 -0.47 6.23 0.02 -1.26 -2.04 113.55 116.74 3m62 h SER 737 Ca 0.11 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3m62 h SER 737 Cb 0.18 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3m62 h SER 737 CO -0.01 0.53 0.02 0.00 -1.14 0.00 0.00 176.83 176.23 3m62 h GLY 739 N 0.66 -0.94 0.46 0.00 0.00 -0.52 -0.42 103.07 102.31 3m62 h GLY 739 Ca 0.13 0.49 0.08 0.00 0.00 0.00 0.00 47.33 48.03 3m62 h GLY 739 CO 0.02 -0.31 0.16 -2.00 0.00 0.00 0.00 176.54 174.41 3m62 h LEU 740 N -0.78 0.13 -0.80 3.11 5.85 -1.40 -1.40 115.31 120.03 3m62 h LEU 740 Ca -0.02 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.91 3m62 h LEU 740 Cb 0.72 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 3m62 h LEU 740 CO -0.13 0.10 0.38 0.00 -0.34 0.00 0.00 178.44 178.44 3m62 h ALA 741 N 1.36 1.16 0.41 1.25 0.00 -0.96 0.59 119.26 123.06 3m62 h ALA 741 Ca 0.25 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3m62 h ALA 741 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3m62 h ALA 741 CO -0.28 -0.13 -0.20 -0.44 0.00 0.00 0.00 179.25 178.21 3m62 h ASP 742 N 0.55 -0.47 -0.01 0.00 5.19 -0.49 -1.37 116.42 119.82 3m62 h ASP 742 Ca 0.43 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.81 3m62 h ASP 742 Cb 0.61 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 3m62 h ASP 742 CO -0.37 -0.24 -0.06 0.11 -3.12 0.00 0.00 179.24 175.56 3m62 h LYS 743 N -0.67 -0.09 -0.93 3.56 1.79 -0.39 -0.85 116.57 118.99 3m62 h LYS 743 Ca -0.06 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 3m62 h LYS 743 Cb 0.48 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.09 3m62 h LYS 743 CO 0.09 -0.06 0.59 0.77 -1.08 0.00 0.00 179.45 179.76 3m62 h SER 744 N -0.10 0.95 -0.29 0.86 0.02 0.18 -0.27 113.55 114.91 3m62 h SER 744 Ca 0.03 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 3m62 h SER 744 Cb 0.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3m62 h SER 744 CO -0.07 0.62 -0.20 -0.03 -1.14 0.00 0.00 176.83 176.00 3m62 h MET 745 N 1.10 0.76 -0.46 3.45 1.85 -0.81 0.13 114.93 120.96 3m62 h MET 745 Ca 0.40 -0.30 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 3m62 h MET 745 Cb 0.13 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 3m62 h MET 745 CO -0.16 0.90 0.05 -0.22 -0.40 0.00 0.00 176.91 177.08 3m62 h LYS 746 N 0.67 0.77 -0.63 0.39 1.63 0.10 -0.86 116.57 118.64 3m62 h LYS 746 Ca 0.10 -0.22 0.08 0.00 -0.85 0.00 0.00 60.65 59.75 3m62 h LYS 746 Cb 0.71 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.19 3m62 h LYS 746 CO 0.05 0.80 0.30 -0.07 -3.45 0.00 0.00 179.45 177.09 3m62 h LEU 747 N 0.63 0.39 -1.10 5.20 3.38 -0.68 -0.66 115.31 122.47 3m62 h LEU 747 Ca 0.14 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3m62 h LEU 747 Cb 0.42 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3m62 h LEU 747 CO 0.01 0.24 0.61 -0.26 0.09 0.00 0.00 178.44 179.13 3m62 h PHE 748 N 0.54 1.11 0.16 1.13 0.04 -0.43 -1.91 116.94 117.58 3m62 h PHE 748 Ca 0.30 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 3m62 h PHE 748 Cb 0.29 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.07 3m62 h PHE 748 CO -0.12 0.61 -0.08 1.49 -0.60 0.00 0.00 178.31 179.61 3m62 h GLU 749 N 1.12 -0.21 -0.14 1.51 4.81 -0.34 -1.24 114.58 120.10 3m62 h GLU 749 Ca 0.39 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.47 3m62 h GLU 749 Cb 0.11 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3m62 h GLU 749 CO -0.14 0.08 -0.59 -0.84 -0.73 0.00 0.00 179.01 176.80 3m62 h ILE 750 N -0.50 1.34 -0.27 2.32 3.07 -1.05 -2.77 117.51 119.66 3m62 h ILE 750 Ca -0.02 -1.89 -0.12 0.00 1.55 0.00 0.00 64.86 64.38 3m62 h ILE 750 Cb 0.39 1.88 -0.00 0.00 -0.27 0.00 0.00 36.82 38.81 3m62 h ILE 750 CO 0.04 0.58 -0.30 1.88 -1.05 0.00 0.00 178.15 179.29 3m62 h TYR 751 N 0.35 0.82 0.00 0.16 0.05 -1.40 -3.22 116.97 113.72 3m62 h TYR 751 Ca -0.00 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.51 3m62 h TYR 751 Cb 1.13 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.70 3m62 h TYR 751 CO 0.04 1.00 -0.06 0.66 -1.05 0.00 0.00 178.16 178.75 3m62 h SER 752 N 0.41 0.00 -0.83 3.88 4.64 -1.17 0.68 113.55 121.15 3m62 h SER 752 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3m62 h SER 752 Cb 0.88 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.93 3m62 h SER 752 CO 0.07 0.06 0.45 0.50 -0.87 0.00 0.00 176.83 177.04 3m62 h LYS 753 N 0.00 1.17 0.00 4.77 1.63 -1.50 -3.00 116.57 119.64 3m62 h LYS 753 Ca -0.00 -0.14 -0.31 0.00 -0.85 0.00 0.00 60.65 59.35 3m62 h LYS 753 Cb 0.40 -0.23 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 3m62 h LYS 753 CO 0.01 0.86 -2.19 -0.25 -3.45 0.00 0.00 179.45 174.43 3m62 n ASP 754 N -4.38 1.49 -2.94 4.20 8.00 -0.42 -4.68 116.55 117.82 3m62 n ASP 754 Ca 0.08 -0.05 -0.24 0.00 0.71 0.00 0.00 54.79 55.29 3m62 n ASP 754 Cb 0.10 0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 3m62 n ASP 754 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3m62 n ILE 755 N -2.84 2.10 -0.14 0.53 -5.35 0.10 -4.92 119.36 108.83 3m62 n ILE 755 Ca -0.32 -5.15 0.26 0.00 -0.27 0.00 0.00 62.75 57.27 3m62 n ILE 755 Cb 0.99 -1.00 0.71 0.00 -1.74 0.00 0.00 39.64 38.59 3m62 n ILE 755 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3m62 h PRO 756 N 2.94 0.02 0.00 6.28 0.13 -1.73 -1.17 132.00 138.47 3m62 h PRO 756 Ca 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3m62 h PRO 756 Cb 0.70 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3m62 h PRO 756 CO 0.73 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 3m62 h ALA 757 N 1.60 1.00 0.00 -0.56 0.00 -1.91 -1.81 119.26 117.58 3m62 h ALA 757 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3m62 h ALA 757 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3m62 h ALA 757 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3m62 h ALA 758 N 2.06 1.00 -0.15 0.00 0.00 -1.58 -3.04 119.26 117.55 3m62 h ALA 758 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m62 h ALA 758 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3m62 h ALA 758 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 3m62 n PHE 759 N -2.29 0.18 -0.46 0.00 3.72 -0.68 -4.47 117.46 113.46 3m62 n PHE 759 Ca -0.00 -0.19 0.02 0.00 -0.05 0.00 0.00 57.45 57.23 3m62 n PHE 759 Cb 0.12 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.68 3m62 n PHE 759 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3m62 n VAL 760 N 0.61 1.03 -1.72 -4.37 0.24 -1.15 -4.04 118.33 108.94 3m62 n VAL 760 Ca 0.09 -1.12 -0.31 0.00 -2.04 0.00 0.00 64.34 60.96 3m62 n VAL 760 Cb 0.34 0.39 0.03 0.00 -1.47 0.00 0.00 33.84 33.14 3m62 n VAL 760 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3m62 s THR 761 N -1.26 4.18 0.32 3.34 -4.23 -1.26 -4.64 115.64 112.09 3m62 s THR 761 Ca 0.07 0.75 0.10 0.00 -1.18 0.00 0.00 61.69 61.43 3m62 s THR 761 Cb 0.06 -3.51 0.31 0.00 1.34 0.00 0.00 72.50 70.70 3m62 s THR 761 CO 0.01 -0.88 1.70 -0.65 -0.54 0.00 0.00 174.62 174.25 3m62 h PRO 762 N -0.45 0.43 0.00 3.99 0.11 -1.98 -0.73 132.00 133.38 3m62 h PRO 762 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m62 h PRO 762 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m62 h PRO 762 CO 0.58 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.81 3m62 n GLU 763 N -4.99 0.20 -0.08 1.05 0.28 -1.26 -3.67 120.64 112.17 3m62 n GLU 763 Ca 0.27 0.20 -0.13 0.00 -0.16 0.00 0.00 57.16 57.34 3m62 n GLU 763 Cb 0.80 -1.75 -0.07 0.00 1.43 0.00 0.00 31.44 31.85 3m62 n GLU 763 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3m62 n ILE 764 N -2.09 0.94 -0.23 3.84 2.08 -0.68 -4.71 119.36 118.50 3m62 n ILE 764 Ca 0.05 -0.34 -0.09 0.00 0.56 0.00 0.00 62.75 62.94 3m62 n ILE 764 Cb 0.39 -1.19 0.03 0.00 -0.75 0.00 0.00 39.64 38.12 3m62 n ILE 764 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 3m62 h VAL 765 N -0.11 1.27 -0.35 1.39 3.04 -1.24 0.34 116.25 120.59 3m62 h VAL 765 Ca -0.38 -1.10 -0.12 0.00 -1.01 0.00 0.00 66.70 64.09 3m62 h VAL 765 Cb 1.53 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 3m62 h VAL 765 CO -0.09 0.41 -0.26 1.88 -1.01 0.00 0.00 177.57 178.49 3m62 h TYR 766 N 1.02 0.95 -0.71 3.17 0.05 -1.84 -1.34 116.97 118.25 3m62 h TYR 766 Ca 0.19 -0.26 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 3m62 h TYR 766 Cb 0.50 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 3m62 h TYR 766 CO 0.04 1.03 0.19 0.00 -1.05 0.00 0.00 178.16 178.37 3m62 h ARG 767 N 0.59 1.13 -0.01 4.88 2.47 -1.72 -1.88 114.38 119.84 3m62 h ARG 767 Ca 0.07 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3m62 h ARG 767 Cb 0.83 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.00 3m62 h ARG 767 CO 0.07 0.98 0.01 1.25 0.56 0.00 0.00 179.97 182.84 3m62 h LEU 768 N 1.08 0.02 -0.65 3.04 5.85 -0.27 -0.12 115.31 124.26 3m62 h LEU 768 Ca 0.23 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3m62 h LEU 768 Cb 0.35 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3m62 h LEU 768 CO -0.00 0.17 0.33 0.00 -0.34 0.00 0.00 178.44 178.60 3m62 h ALA 769 N 0.85 0.86 -0.32 1.25 0.00 -1.13 0.13 119.26 120.90 3m62 h ALA 769 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3m62 h ALA 769 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3m62 h ALA 769 CO -0.00 -0.03 0.10 1.03 0.00 0.00 0.00 179.25 180.35 3m62 h SER 770 N 0.60 0.47 -0.62 0.00 0.87 -1.14 -0.65 113.55 113.08 3m62 h SER 770 Ca 0.30 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 3m62 h SER 770 Cb 0.25 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3m62 h SER 770 CO -0.22 0.55 0.08 -0.03 -0.53 0.00 0.00 176.83 176.68 3m62 h MET 771 N 0.37 1.05 -0.30 2.24 -1.53 -0.49 -2.17 114.93 114.09 3m62 h MET 771 Ca 0.10 -0.29 -0.07 0.00 -3.44 0.00 0.00 59.70 56.00 3m62 h MET 771 Cb 0.25 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 3m62 h MET 771 CO -0.00 0.99 -0.09 -0.07 0.14 0.00 0.00 176.91 177.87 3m62 h LEU 772 N 0.95 0.60 -0.76 3.39 3.38 -0.54 -1.92 115.31 120.43 3m62 h LEU 772 Ca 0.19 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3m62 h LEU 772 Cb 0.46 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3m62 h LEU 772 CO 0.02 0.84 0.31 0.78 0.09 0.00 0.00 178.44 180.48 3m62 h ASN 773 N 0.35 1.04 -0.20 -0.43 2.35 -1.12 0.18 115.58 117.75 3m62 h ASN 773 Ca 0.07 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3m62 h ASN 773 Cb 0.59 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3m62 h ASN 773 CO 0.03 0.93 -0.01 0.22 -1.65 0.00 0.00 177.43 176.95 3m62 h TYR 774 N 1.09 0.40 -0.56 1.19 3.20 -1.32 -0.26 116.97 120.72 3m62 h TYR 774 Ca 0.25 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3m62 h TYR 774 Cb 0.21 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3m62 h TYR 774 CO 0.02 0.57 0.09 -0.91 -1.64 0.00 0.00 178.16 176.29 3m62 h ASN 775 N 0.12 0.83 -0.78 -2.11 2.35 -1.17 -1.92 115.58 112.90 3m62 h ASN 775 Ca 0.06 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3m62 h ASN 775 Cb 0.42 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 3m62 h ASN 775 CO 0.01 0.84 0.47 0.25 -1.65 0.00 0.00 177.43 177.36 3m62 h LEU 776 N 0.84 0.74 -0.92 1.61 5.85 -0.27 -2.38 115.31 120.78 3m62 h LEU 776 Ca 0.18 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3m62 h LEU 776 Cb 0.37 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3m62 h LEU 776 CO 0.01 0.47 0.20 -0.33 -0.34 0.00 0.00 178.44 178.45 3m62 h GLU 777 N 0.87 0.99 -0.29 1.25 5.08 -0.27 -2.05 114.58 120.16 3m62 h GLU 777 Ca 0.34 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3m62 h GLU 777 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3m62 h GLU 777 CO -0.17 0.85 0.08 0.77 -1.00 0.00 0.00 179.01 179.54 3m62 h SER 778 N 0.95 0.44 0.03 1.42 0.02 -1.07 -2.27 113.55 113.07 3m62 h SER 778 Ca 0.21 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 3m62 h SER 778 Cb 0.28 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3m62 h SER 778 CO -0.01 0.54 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.88 3m62 h LEU 779 N 0.31 0.38 -2.28 5.07 3.38 -1.23 -0.80 115.31 120.15 3m62 h LEU 779 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3m62 h LEU 779 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3m62 h LEU 779 CO -0.00 0.65 0.00 1.33 0.09 0.00 0.00 178.44 180.51 3m62 n VAL 780 N -4.12 0.50 -3.23 1.22 0.24 -0.79 -4.68 118.33 107.47 3m62 n VAL 780 Ca -0.01 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 3m62 n VAL 780 Cb 0.40 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 3m62 n VAL 780 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m62 n GLY 781 N 1.16 6.41 0.26 7.63 0.00 -0.86 -4.94 105.19 114.86 3m62 n GLY 781 Ca 0.16 -1.90 0.17 0.00 0.00 0.00 0.00 46.02 44.44 3m62 n GLY 781 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3m62 h PRO 782 N 0.00 0.00 -0.28 1.61 0.11 -1.82 -0.53 132.00 131.08 3m62 h PRO 782 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 3m62 h PRO 782 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3m62 h PRO 782 CO 0.00 0.00 0.07 0.87 -0.21 0.00 0.00 178.00 178.73 3m62 h LYS 783 N 0.00 0.18 0.11 1.05 1.57 -1.85 -0.98 116.57 116.65 3m62 h LYS 783 Ca 0.00 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.45 3m62 h LYS 783 Cb 0.45 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3m62 h LYS 783 CO 0.00 0.12 -1.65 0.00 -0.57 0.00 0.00 179.45 177.35 3m62 h GLY 785 N 1.77 0.00 -1.18 0.00 0.00 -0.93 -2.61 103.07 100.11 3m62 h GLY 785 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3m62 h GLY 785 CO 0.14 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.86 3m62 n GLU 786 N -3.94 1.99 -2.79 4.80 1.02 -0.39 -4.86 120.64 116.47 3m62 n GLU 786 Ca -0.02 -1.44 -0.43 0.00 -0.02 0.00 0.00 57.16 55.26 3m62 n GLU 786 Cb 0.24 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 3m62 n GLU 786 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3m62 s LEU 787 N -1.97 3.99 -0.30 -4.62 2.96 -0.98 -4.99 118.68 112.77 3m62 s LEU 787 Ca 0.33 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 3m62 s LEU 787 Cb 0.20 -3.29 0.09 0.00 0.50 0.00 0.00 46.19 43.69 3m62 s LEU 787 CO 0.32 -0.83 0.04 -0.75 -1.32 0.00 0.00 176.35 173.81 3m62 s LYS 788 N 3.43 1.26 0.23 1.98 2.47 -1.26 -5.07 119.74 122.78 3m62 s LYS 788 Ca 0.39 -1.33 0.09 0.00 -1.56 0.00 0.00 55.97 53.56 3m62 s LYS 788 Cb -0.12 -2.60 -0.04 0.00 -1.46 0.00 0.00 37.83 33.60 3m62 s LYS 788 CO 0.17 -0.85 -0.01 0.14 0.16 0.00 0.00 175.35 174.96 3m62 s VAL 789 N 1.30 3.50 0.43 4.02 -7.23 -1.26 -5.10 120.40 116.06 3m62 s VAL 789 Ca 0.05 -1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 3m62 s VAL 789 Cb -0.18 -2.83 -0.08 0.00 0.56 0.00 0.00 36.38 33.84 3m62 s VAL 789 CO -0.13 -0.28 1.07 -0.54 -0.31 0.00 0.00 175.10 174.90 3m62 s LYS 790 N -3.41 4.00 -0.38 4.82 3.01 -1.26 -4.28 119.74 122.23 3m62 s LYS 790 Ca 0.30 1.53 -0.07 0.00 -1.01 0.00 0.00 55.97 56.71 3m62 s LYS 790 Cb -0.07 -2.41 0.01 0.00 -1.01 0.00 0.00 37.83 34.35 3m62 s LYS 790 CO 0.19 -0.29 0.34 -3.47 0.51 0.00 0.00 175.35 172.63 3m62 n ASP 791 N -0.36 -2.73 0.27 2.83 2.03 -1.26 -4.82 116.55 112.52 3m62 n ASP 791 Ca 0.06 -0.39 0.18 0.00 0.52 0.00 0.00 54.79 55.17 3m62 n ASP 791 Cb 0.50 -0.87 0.96 0.00 -0.72 0.00 0.00 41.12 40.99 3m62 n ASP 791 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3m62 h PRO 792 N 0.58 0.00 -0.00 -0.67 0.13 -1.86 0.86 132.00 131.03 3m62 h PRO 792 Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3m62 h PRO 792 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3m62 h PRO 792 CO 0.18 0.00 -0.26 1.96 -0.23 0.00 0.00 178.00 179.65 3m62 h GLN 793 N 0.00 0.00 -1.19 0.86 1.08 -1.88 -0.76 115.11 113.22 3m62 h GLN 793 Ca 0.00 -0.00 0.34 0.00 -1.45 0.00 0.00 58.65 57.54 3m62 h GLN 793 Cb 0.06 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.44 3m62 h GLN 793 CO 0.00 0.26 0.85 0.77 -0.95 0.00 0.00 178.83 179.76 3m62 h SER 794 N 0.00 0.06 -0.20 1.46 0.02 -1.15 -2.13 113.55 111.61 3m62 h SER 794 Ca -0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 3m62 h SER 794 Cb 0.46 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 3m62 h SER 794 CO 0.03 0.01 -0.15 -1.22 -1.14 0.00 0.00 176.83 174.36 3m62 n TYR 795 N -4.24 0.65 -4.07 3.45 4.01 -0.41 -4.92 117.16 111.64 3m62 n TYR 795 Ca 0.26 -1.36 -0.35 0.00 -0.16 0.00 0.00 57.90 56.30 3m62 n TYR 795 Cb 1.23 -0.35 -0.06 0.00 -0.31 0.00 0.00 39.34 39.84 3m62 n TYR 795 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3m62 n SER 796 N -1.06 -1.60 -4.28 7.72 7.64 -0.80 -3.94 113.62 117.30 3m62 n SER 796 Ca 0.25 -0.95 -0.44 0.00 1.01 0.00 0.00 58.87 58.74 3m62 n SER 796 Cb 0.87 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 3m62 n SER 796 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3m62 s PHE 797 N -2.93 3.35 -0.59 1.43 5.36 -0.48 -3.96 117.98 120.16 3m62 s PHE 797 Ca 0.68 -1.55 0.04 0.00 -0.96 0.00 0.00 56.93 55.14 3m62 s PHE 797 Cb -0.39 -3.70 0.16 0.00 -0.34 0.00 0.00 43.02 38.75 3m62 s PHE 797 CO 0.83 -1.01 0.42 -0.80 -1.46 0.00 0.00 175.22 173.20 3m62 s ASN 798 N 3.15 3.74 0.53 6.13 0.01 -1.26 -4.35 114.94 122.89 3m62 s ASN 798 Ca 0.05 -3.48 0.25 0.00 -0.71 0.00 0.00 52.86 48.97 3m62 s ASN 798 Cb -0.27 -1.24 1.45 0.00 0.41 0.00 0.00 41.25 41.60 3m62 s ASN 798 CO 0.01 -0.13 2.11 1.55 -1.51 0.00 0.00 177.10 179.13 3m62 h PRO 799 N 5.65 0.00 -0.41 -0.60 0.13 -1.99 -2.19 132.00 132.59 3m62 h PRO 799 Ca 0.15 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 3m62 h PRO 799 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 3m62 h PRO 799 CO 0.60 0.09 -0.30 0.87 -0.23 0.00 0.00 178.00 179.03 3m62 h LYS 800 N 0.00 0.92 -0.21 0.86 1.57 -1.97 -1.20 116.57 116.54 3m62 h LYS 800 Ca -0.00 -0.45 -0.17 0.00 -1.87 0.00 0.00 60.65 58.16 3m62 h LYS 800 Cb 0.21 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3m62 h LYS 800 CO 0.01 1.10 -0.58 -0.44 -0.57 0.00 0.00 179.45 178.98 3m62 h ASP 801 N 0.74 0.74 -0.55 0.86 3.45 -1.85 -1.24 116.42 118.57 3m62 h ASP 801 Ca 0.08 -0.41 -0.09 0.00 0.43 0.00 0.00 57.03 57.05 3m62 h ASP 801 Cb 0.88 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.42 3m62 h ASP 801 CO 0.08 1.15 0.02 0.25 -1.57 0.00 0.00 179.24 179.18 3m62 h LEU 802 N 0.50 0.95 -0.50 1.55 5.85 -1.38 0.48 115.31 122.76 3m62 h LEU 802 Ca 0.00 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 3m62 h LEU 802 Cb 1.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3m62 h LEU 802 CO 0.11 0.99 0.08 0.25 -0.34 0.00 0.00 178.44 179.54 3m62 h LEU 803 N 0.91 0.80 -0.06 2.25 5.85 -1.13 0.15 115.31 124.07 3m62 h LEU 803 Ca 0.17 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3m62 h LEU 803 Cb 0.50 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3m62 h LEU 803 CO 0.02 0.85 -0.01 0.50 -0.34 0.00 0.00 178.44 179.47 3m62 h LYS 804 N 0.71 0.01 -0.59 1.25 1.63 -0.84 -0.44 116.57 118.29 3m62 h LYS 804 Ca 0.15 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3m62 h LYS 804 Cb 0.39 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 3m62 h LYS 804 CO 0.01 0.01 0.21 0.00 -3.45 0.00 0.00 179.45 176.22 3m62 h ALA 805 N 1.06 0.77 -0.19 5.00 0.00 -0.68 -2.37 119.26 122.85 3m62 h ALA 805 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3m62 h ALA 805 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3m62 h ALA 805 CO -0.05 0.42 0.12 1.25 0.00 0.00 0.00 179.25 180.99 3m62 h LEU 806 N 0.83 0.23 -1.51 0.00 5.85 -0.35 -2.04 115.31 118.31 3m62 h LEU 806 Ca 0.19 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3m62 h LEU 806 Cb 0.25 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3m62 h LEU 806 CO -0.01 0.19 -0.24 0.71 -0.34 0.00 0.00 178.44 178.75 3m62 h THR 807 N 0.25 0.88 -0.26 1.05 1.35 -1.01 -2.15 112.91 113.02 3m62 h THR 807 Ca 0.07 -0.92 -0.13 0.00 -0.55 0.00 0.00 66.41 64.88 3m62 h THR 807 Cb -0.00 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 3m62 h THR 807 CO -0.01 0.24 -0.38 0.74 -0.25 0.00 0.00 175.52 175.85 3m62 h THR 808 N 0.00 1.29 -0.04 6.82 2.02 -0.84 -2.21 112.91 119.95 3m62 h THR 808 Ca -0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 3m62 h THR 808 Cb 0.52 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3m62 h THR 808 CO 0.03 0.49 0.03 0.58 0.37 0.00 0.00 175.52 177.02 3m62 h VAL 809 N 0.49 1.01 -0.61 3.16 2.07 -0.79 0.16 116.25 121.74 3m62 h VAL 809 Ca 0.05 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.66 3m62 h VAL 809 Cb 0.88 0.96 -0.11 0.00 -1.52 0.00 0.00 31.29 31.50 3m62 h VAL 809 CO 0.08 0.01 -0.04 1.88 0.02 0.00 0.00 177.57 179.52 3m62 h TYR 810 N 0.06 -0.11 -0.30 1.57 0.05 -1.33 -1.17 116.97 115.74 3m62 h TYR 810 Ca 0.02 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3m62 h TYR 810 Cb -0.00 0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3m62 h TYR 810 CO -0.07 -0.19 0.19 0.82 -1.05 0.00 0.00 178.16 177.86 3m62 h ILE 811 N 0.08 1.09 0.00 -2.88 2.04 -0.84 -0.57 117.51 116.44 3m62 h ILE 811 Ca 0.31 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3m62 h ILE 811 Cb 0.50 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3m62 h ILE 811 CO -0.55 0.08 -0.06 0.78 0.00 0.00 0.00 178.15 178.41 3m62 h ASN 812 N 0.39 0.00 -0.22 1.72 2.35 0.11 -1.28 115.58 118.65 3m62 h ASN 812 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3m62 h ASN 812 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3m62 h ASN 812 CO -0.02 0.06 0.00 0.18 -1.65 0.00 0.00 177.43 175.99 3m62 n LEU 813 N -3.67 3.00 0.23 1.61 4.77 -0.52 -4.59 117.00 117.84 3m62 n LEU 813 Ca -0.02 -1.33 0.16 0.00 -0.03 0.00 0.00 56.01 54.79 3m62 n LEU 813 Cb 0.16 -0.14 0.78 0.00 -2.33 0.00 0.00 43.42 41.89 3m62 n LEU 813 CO 0.28 0.61 0.97 0.77 -1.33 0.00 0.00 177.39 178.69 3m62 h SER 814 N 3.83 0.00 -0.64 -1.43 4.64 0.12 -1.79 113.55 118.29 3m62 h SER 814 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m62 h SER 814 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3m62 h SER 814 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3m62 n GLU 815 N -2.66 4.12 -3.66 4.77 1.02 -1.26 -4.83 120.64 118.13 3m62 n GLU 815 Ca -0.01 -3.00 -0.39 0.00 -0.02 0.00 0.00 57.16 53.74 3m62 n GLU 815 Cb 0.14 -2.02 -0.12 0.00 -0.02 0.00 0.00 31.44 29.42 3m62 n GLU 815 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3m62 s GLN 816 N -2.12 2.72 0.50 3.49 -1.52 -0.67 -4.98 119.66 117.07 3m62 s GLN 816 Ca 0.53 -1.15 0.15 0.00 -1.95 0.00 0.00 55.36 52.93 3m62 s GLN 816 Cb 0.36 -3.62 1.18 0.00 -0.22 0.00 0.00 33.01 30.71 3m62 s GLN 816 CO 0.23 -0.71 2.12 0.66 -0.25 0.00 0.00 175.29 177.34 3m62 h SER 817 N 8.34 0.06 -0.39 5.90 4.64 -1.88 -0.59 113.55 129.63 3m62 h SER 817 Ca -0.24 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3m62 h SER 817 Cb 1.09 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3m62 h SER 817 CO 0.65 0.07 0.12 -0.33 -0.87 0.00 0.00 176.83 176.47 3m62 h GLU 818 N 0.07 0.67 -0.12 4.77 3.07 -1.93 -0.68 114.58 120.42 3m62 h GLU 818 Ca 0.02 -0.12 -0.15 0.00 -0.50 0.00 0.00 59.36 58.61 3m62 h GLU 818 Cb 0.04 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3m62 h GLU 818 CO -0.00 0.60 -0.52 0.35 -1.40 0.00 0.00 179.01 178.05 3m62 h PHE 819 N 0.66 0.76 -0.74 4.33 3.57 -1.45 0.11 116.94 124.18 3m62 h PHE 819 Ca 0.15 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.34 3m62 h PHE 819 Cb 0.23 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 3m62 h PHE 819 CO 0.01 1.11 0.49 0.82 -2.23 0.00 0.00 178.31 178.51 3m62 h ILE 820 N 0.20 1.19 -0.03 1.41 2.04 -1.05 -0.47 117.51 120.80 3m62 h ILE 820 Ca -0.03 -0.34 -0.16 0.00 1.00 0.00 0.00 64.86 65.33 3m62 h ILE 820 Cb 1.15 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3m62 h ILE 820 CO 0.11 0.18 -0.59 -1.28 0.00 0.00 0.00 178.15 176.57 3m62 h SER 821 N 1.00 0.56 -0.20 1.72 0.87 -1.07 -1.68 113.55 114.75 3m62 h SER 821 Ca 0.27 -0.73 0.03 0.00 -1.23 0.00 0.00 61.79 60.14 3m62 h SER 821 Cb -0.11 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 3m62 h SER 821 CO -0.06 1.21 -0.01 0.00 -0.53 0.00 0.00 176.83 177.45 3m62 h ALA 822 N 0.36 0.17 -0.82 6.23 0.00 -0.25 -1.79 119.26 123.16 3m62 h ALA 822 Ca -0.07 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3m62 h ALA 822 Cb 1.28 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3m62 h ALA 822 CO 0.12 -0.44 0.54 0.28 0.00 0.00 0.00 179.25 179.75 3m62 h VAL 823 N 0.06 1.19 0.00 0.00 2.07 -1.17 -2.43 116.25 115.97 3m62 h VAL 823 Ca 0.09 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3m62 h VAL 823 Cb 0.12 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3m62 h VAL 823 CO -0.17 0.20 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 3m62 h ALA 824 N 1.50 0.99 -0.01 1.67 0.00 -0.73 -3.16 119.26 119.52 3m62 h ALA 824 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3m62 h ALA 824 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m62 h ALA 824 CO -0.07 0.05 -0.56 1.63 0.00 0.00 0.00 179.25 180.29 3m62 n LYS 825 N -3.13 1.15 -2.28 0.00 5.02 -0.73 -4.62 118.16 113.58 3m62 n LYS 825 Ca 0.02 -0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 55.27 3m62 n LYS 825 Cb 0.41 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 3m62 n LYS 825 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3m62 s ASP 826 N -2.45 5.75 0.48 4.39 2.15 -0.95 -4.83 116.67 121.21 3m62 s ASP 826 Ca 0.14 -0.94 0.25 0.00 0.43 0.00 0.00 52.55 52.44 3m62 s ASP 826 Cb 0.16 -2.56 1.18 0.00 -0.30 0.00 0.00 42.92 41.40 3m62 s ASP 826 CO 0.60 -2.18 1.95 1.05 -0.17 0.00 0.00 175.17 176.41 3m62 h GLU 827 N 10.80 0.00 -0.04 4.34 9.09 -1.90 -2.60 114.58 134.27 3m62 h GLU 827 Ca 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.51 3m62 h GLU 827 Cb 1.02 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.11 3m62 h GLU 827 CO 1.30 0.18 -0.01 -0.09 0.05 0.00 0.00 179.01 180.45 3m62 h ARG 828 N 0.00 0.07 0.00 1.06 2.43 -1.99 -3.41 114.38 112.54 3m62 h ARG 828 Ca -0.00 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 3m62 h ARG 828 Cb 0.54 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 3m62 h ARG 828 CO 0.02 0.42 -1.80 0.43 -1.51 0.00 0.00 179.97 177.53 3m62 n SER 829 N -4.86 2.78 -4.60 -3.80 7.64 -1.24 -5.06 113.62 104.48 3m62 n SER 829 Ca -0.07 -0.06 -0.46 0.00 1.01 0.00 0.00 58.87 59.29 3m62 n SER 829 Cb 0.21 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 3m62 n SER 829 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3m62 n PHE 830 N -2.96 1.43 -3.31 1.43 7.35 -0.98 -4.97 117.46 115.45 3m62 n PHE 830 Ca -0.25 0.66 0.03 0.00 -0.76 0.00 0.00 57.45 57.12 3m62 n PHE 830 Cb 0.76 -2.29 -0.04 0.00 0.35 0.00 0.00 39.48 38.26 3m62 n PHE 830 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3m62 s ASN 831 N -0.26 -0.42 0.29 -2.13 2.47 -1.26 -4.92 114.94 108.71 3m62 s ASN 831 Ca 0.65 0.53 0.03 0.00 0.42 0.00 0.00 52.86 54.49 3m62 s ASN 831 Cb -0.74 1.46 0.69 0.00 -1.45 0.00 0.00 41.25 41.21 3m62 s ASN 831 CO 0.56 -0.08 1.73 -0.09 -3.72 0.00 0.00 177.10 175.50 3m62 h ARG 832 N 7.44 0.53 -0.62 0.43 2.43 -1.93 -1.70 114.38 120.96 3m62 h ARG 832 Ca -0.15 -0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.16 3m62 h ARG 832 Cb 1.13 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 3m62 h ARG 832 CO 0.05 0.35 0.44 -0.97 -1.51 0.00 0.00 179.97 178.34 3m62 h ASN 833 N 0.55 0.06 -0.64 -3.80 -0.73 -1.99 0.28 115.58 109.30 3m62 h ASN 833 Ca 0.54 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.86 3m62 h ASN 833 Cb 0.93 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.48 3m62 h ASN 833 CO -0.45 0.03 0.44 -0.07 -0.37 0.00 0.00 177.43 177.01 3m62 h LEU 834 N 0.06 0.20 0.01 0.34 3.38 -1.70 -0.72 115.31 116.89 3m62 h LEU 834 Ca 0.30 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 3m62 h LEU 834 Cb 1.10 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3m62 h LEU 834 CO -0.02 0.11 -1.02 -0.26 0.09 0.00 0.00 178.44 177.33 3m62 h PHE 835 N 0.22 0.04 -0.43 1.13 0.04 -0.60 -1.52 116.94 115.83 3m62 h PHE 835 Ca 0.31 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.94 3m62 h PHE 835 Cb 0.91 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 3m62 h PHE 835 CO -0.00 1.02 -0.15 0.28 -0.60 0.00 0.00 178.31 178.86 3m62 h VAL 836 N 0.01 1.28 -0.34 -0.55 2.07 -1.20 -1.84 116.25 115.67 3m62 h VAL 836 Ca -0.02 -1.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.05 3m62 h VAL 836 Cb 1.79 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3m62 h VAL 836 CO 0.14 0.43 -0.45 0.03 0.02 0.00 0.00 177.57 177.74 3m62 h ARG 837 N 0.68 0.91 -0.89 1.57 3.08 -1.14 -1.70 114.38 116.88 3m62 h ARG 837 Ca 0.10 -0.52 0.07 0.00 0.07 0.00 0.00 59.98 59.71 3m62 h ARG 837 Cb 0.70 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.72 3m62 h ARG 837 CO 0.05 1.16 0.55 0.00 -1.07 0.00 0.00 179.97 180.66 3m62 h ALA 838 N 0.75 1.24 -0.52 0.04 0.00 -1.20 -1.22 119.26 118.36 3m62 h ALA 838 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3m62 h ALA 838 Cb 1.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3m62 h ALA 838 CO 0.11 0.26 -0.11 0.28 0.00 0.00 0.00 179.25 179.79 3m62 h VAL 839 N 0.97 1.27 -0.45 0.00 2.07 -0.92 0.69 116.25 119.88 3m62 h VAL 839 Ca 0.40 -1.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 3m62 h VAL 839 Cb 0.24 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3m62 h VAL 839 CO -0.20 0.44 -0.24 -0.78 0.02 0.00 0.00 177.57 176.81 3m62 h ASP 840 N 0.87 0.96 -0.11 0.57 3.58 -1.05 -2.65 116.42 118.59 3m62 h ASP 840 Ca 0.14 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 57.12 3m62 h ASP 840 Cb 0.65 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3m62 h ASP 840 CO 0.05 1.14 -0.33 0.40 -2.88 0.00 0.00 179.24 177.62 3m62 h ILE 841 N 0.80 1.39 -0.91 2.25 2.04 -0.88 -3.15 117.51 119.05 3m62 h ILE 841 Ca 0.10 -1.66 0.12 0.00 1.00 0.00 0.00 64.86 64.42 3m62 h ILE 841 Cb 0.80 2.16 -0.07 0.00 -0.74 0.00 0.00 36.82 38.97 3m62 h ILE 841 CO 0.07 0.49 0.58 -0.07 0.00 0.00 0.00 178.15 179.22 3m62 h LEU 842 N -0.01 0.77 0.00 1.44 3.38 -0.88 -1.02 115.31 118.98 3m62 h LEU 842 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3m62 h LEU 842 Cb 0.96 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3m62 h LEU 842 CO 0.07 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.63 3m62 n GLY 843 N -1.41 -0.66 0.10 0.83 0.00 -1.00 -2.89 105.19 100.16 3m62 n GLY 843 Ca 0.17 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.21 3m62 n GLY 843 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3m62 h ARG 844 N 0.00 0.00 -4.28 1.61 3.08 -1.22 -3.41 114.38 110.16 3m62 h ARG 844 Ca 0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 3m62 h ARG 844 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.73 3m62 h ARG 844 CO 0.00 0.00 -0.43 0.21 -1.07 0.00 0.00 179.97 178.68 3m62 s LYS 845 N -3.25 2.36 0.34 0.04 2.47 -1.14 -5.08 119.74 115.48 3m62 s LYS 845 Ca 0.04 -1.87 -0.29 0.00 -1.56 0.00 0.00 55.97 52.29 3m62 s LYS 845 Cb 0.11 -3.81 -0.12 0.00 -1.46 0.00 0.00 37.83 32.55 3m62 s LYS 845 CO 0.74 -1.16 1.39 0.25 0.16 0.00 0.00 175.35 176.74 3m62 n THR 846 N 4.65 1.80 -0.74 3.43 -2.24 -1.26 -0.18 114.28 119.74 3m62 n THR 846 Ca -0.04 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3m62 n THR 846 Cb 0.41 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 3m62 n THR 846 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m62 n GLY 847 N 0.95 1.01 0.30 3.38 0.00 -1.26 -4.91 105.19 104.65 3m62 n GLY 847 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3m62 n GLY 847 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m62 h LEU 848 N 0.00 0.97 -7.73 0.99 6.46 -0.80 -3.42 115.31 111.79 3m62 h LEU 848 Ca 0.00 -0.23 -0.40 0.00 -0.12 0.00 0.00 57.88 57.12 3m62 h LEU 848 Cb 0.00 -0.26 -0.34 0.00 -0.73 0.00 0.00 40.66 39.33 3m62 h LEU 848 CO 0.00 0.95 -0.77 0.00 -0.62 0.00 0.00 178.44 178.00 3m62 s ALA 849 N -5.31 0.64 0.80 1.25 0.00 -1.26 -5.07 121.76 112.80 3m62 s ALA 849 Ca -0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 3m62 s ALA 849 Cb 0.14 -0.41 0.08 0.00 0.00 0.00 0.00 23.12 22.92 3m62 s ALA 849 CO 0.83 -0.02 1.14 -1.54 0.00 0.00 0.00 175.76 176.17 3m62 s SER 850 N 0.93 3.93 0.48 0.00 1.04 -1.26 -4.86 113.70 113.95 3m62 s SER 850 Ca -0.11 2.10 0.16 0.00 0.48 0.00 0.00 55.95 58.58 3m62 s SER 850 Cb -0.14 -2.56 1.16 0.00 0.10 0.00 0.00 66.02 64.58 3m62 s SER 850 CO -0.00 -2.43 2.04 -0.65 0.98 0.00 0.00 173.24 173.18 3m62 h PRO 851 N -1.08 0.21 -0.18 4.02 0.11 -2.00 -1.04 132.00 132.04 3m62 h PRO 851 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3m62 h PRO 851 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3m62 h PRO 851 CO 0.48 0.14 0.02 0.93 -0.21 0.00 0.00 178.00 179.36 3m62 h GLU 852 N 0.22 0.31 -0.70 1.05 3.07 -1.99 -0.66 114.58 115.88 3m62 h GLU 852 Ca 0.18 -0.09 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 3m62 h GLU 852 Cb 0.45 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 3m62 h GLU 852 CO -0.03 0.48 0.42 0.35 -1.40 0.00 0.00 179.01 178.83 3m62 h PHE 853 N 0.09 0.79 -0.14 4.33 3.57 -1.88 -1.58 116.94 122.12 3m62 h PHE 853 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3m62 h PHE 853 Cb 0.33 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3m62 h PHE 853 CO 0.02 0.43 0.03 0.82 -2.23 0.00 0.00 178.31 177.39 3m62 h ILE 854 N 0.82 1.20 -0.83 1.41 2.04 -0.66 -1.90 117.51 119.60 3m62 h ILE 854 Ca 0.29 -0.64 0.13 0.00 1.00 0.00 0.00 64.86 65.63 3m62 h ILE 854 Cb 0.07 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 3m62 h ILE 854 CO -0.13 0.19 0.54 -0.08 0.00 0.00 0.00 178.15 178.67 3m62 h GLU 855 N 0.02 0.62 -0.37 2.37 4.81 -1.06 -2.15 114.58 118.83 3m62 h GLU 855 Ca 0.04 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3m62 h GLU 855 Cb 0.27 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3m62 h GLU 855 CO 0.00 0.41 -0.16 0.87 -0.73 0.00 0.00 179.01 179.41 3m62 h LYS 856 N 0.64 0.76 -0.62 1.92 1.57 -0.66 0.40 116.57 120.57 3m62 h LYS 856 Ca 0.40 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3m62 h LYS 856 Cb 0.65 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3m62 h LYS 856 CO -0.16 0.93 0.30 1.25 -0.57 0.00 0.00 179.45 181.20 3m62 h LEU 857 N 0.55 0.81 -0.91 2.94 5.85 -1.08 -0.99 115.31 122.48 3m62 h LEU 857 Ca 0.08 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 3m62 h LEU 857 Cb 0.70 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3m62 h LEU 857 CO 0.05 0.72 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.51 3m62 h LEU 858 N 0.85 0.46 -0.74 2.25 3.38 -1.27 -0.96 115.31 119.28 3m62 h LEU 858 Ca 0.21 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3m62 h LEU 858 Cb 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3m62 h LEU 858 CO -0.03 0.74 0.09 -1.13 0.09 0.00 0.00 178.44 178.21 3m62 h ASN 859 N 0.40 1.01 0.07 -0.43 -1.24 -0.31 -1.95 115.58 113.14 3m62 h ASN 859 Ca 0.05 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 56.82 3m62 h ASN 859 Cb 0.71 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.49 3m62 h ASN 859 CO 0.05 1.01 -0.04 0.15 -1.29 0.00 0.00 177.43 177.32 3m62 h PHE 860 N 0.99 -0.09 -0.92 0.67 3.57 -0.96 -2.13 116.94 118.06 3m62 h PHE 860 Ca 0.20 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3m62 h PHE 860 Cb 0.44 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3m62 h PHE 860 CO 0.03 0.04 0.56 0.00 -2.23 0.00 0.00 178.31 176.71 3m62 h ALA 861 N 0.71 1.26 -0.53 2.41 0.00 -1.04 -1.63 119.26 120.44 3m62 h ALA 861 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3m62 h ALA 861 Cb 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3m62 h ALA 861 CO 0.02 0.64 0.32 -0.91 0.00 0.00 0.00 179.25 179.31 3m62 h ASN 862 N 1.26 0.64 -0.36 0.00 2.35 -1.22 -0.21 115.58 118.04 3m62 h ASN 862 Ca 0.33 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3m62 h ASN 862 Cb -0.07 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3m62 h ASN 862 CO -0.06 0.52 0.22 0.11 -1.65 0.00 0.00 177.43 176.57 3m62 h LYS 863 N 0.71 0.49 -0.11 0.81 1.57 -0.82 -1.67 116.57 117.55 3m62 h LYS 863 Ca 0.19 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3m62 h LYS 863 Cb -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3m62 h LYS 863 CO -0.03 0.36 0.02 0.00 -0.57 0.00 0.00 179.45 179.23 3m62 h ALA 864 N 1.09 0.11 -0.10 3.86 0.00 -1.13 0.14 119.26 123.23 3m62 h ALA 864 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3m62 h ALA 864 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m62 h ALA 864 CO -0.02 -0.44 -0.08 1.49 0.00 0.00 0.00 179.25 180.19 3m62 h GLU 865 N 0.06 0.15 0.07 0.00 4.57 -0.94 -0.62 114.58 117.87 3m62 h GLU 865 Ca 0.05 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 57.95 3m62 h GLU 865 Cb 0.04 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3m62 h GLU 865 CO -0.07 0.24 -1.11 1.49 -1.18 0.00 0.00 179.01 178.39 3m62 h GLU 866 N 0.14 0.37 -0.76 1.92 4.81 -0.89 -1.01 114.58 119.17 3m62 h GLU 866 Ca 0.03 -0.50 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 3m62 h GLU 866 Cb 0.24 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3m62 h GLU 866 CO 0.01 1.18 0.39 0.37 -0.73 0.00 0.00 179.01 180.23 3m62 h GLN 867 N 0.16 1.08 -0.55 1.92 5.75 -0.04 -1.61 115.11 121.83 3m62 h GLN 867 Ca -0.12 -0.14 -0.11 0.00 -0.15 0.00 0.00 58.65 58.13 3m62 h GLN 867 Cb 1.78 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 30.11 3m62 h GLN 867 CO 0.19 0.82 -0.08 -0.09 -2.65 0.00 0.00 178.83 177.02 3m62 h ARG 868 N 1.06 1.02 -0.55 1.69 2.43 -1.02 -1.46 114.38 117.55 3m62 h ARG 868 Ca 0.26 -0.37 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3m62 h ARG 868 Cb 0.08 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 3m62 h ARG 868 CO -0.04 1.05 0.23 0.87 -1.51 0.00 0.00 179.97 180.58 3m62 h LYS 869 N 0.90 0.81 -0.18 0.20 1.57 -1.02 -1.68 116.57 117.17 3m62 h LYS 869 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3m62 h LYS 869 Cb 0.65 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3m62 h LYS 869 CO 0.04 0.70 0.09 0.00 -0.57 0.00 0.00 179.45 179.71 3m62 h ALA 870 N 1.07 0.24 -0.50 3.86 0.00 -1.08 -1.27 119.26 121.58 3m62 h ALA 870 Ca 0.18 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3m62 h ALA 870 Cb 0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 3m62 h ALA 870 CO -0.02 -0.19 0.04 -0.44 0.00 0.00 0.00 179.25 178.64 3m62 h ASP 871 N 0.16 -0.12 0.45 0.00 3.45 -1.19 0.19 116.42 119.36 3m62 h ASP 871 Ca 0.06 0.11 -0.10 0.00 0.43 0.00 0.00 57.03 57.53 3m62 h ASP 871 Cb 0.13 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3m62 h ASP 871 CO -0.01 -0.03 -0.47 -0.08 -1.57 0.00 0.00 179.24 177.08 3m62 h GLU 872 N 0.17 0.02 -0.14 3.56 4.81 -1.24 -0.89 114.58 120.86 3m62 h GLU 872 Ca 0.25 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3m62 h GLU 872 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3m62 h GLU 872 CO -0.38 0.48 -0.19 1.49 -0.73 0.00 0.00 179.01 179.68 3m62 h GLU 873 N 0.01 0.37 -0.55 1.92 4.81 -0.60 -2.35 114.58 118.19 3m62 h GLU 873 Ca -0.00 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3m62 h GLU 873 Cb 0.83 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3m62 h GLU 873 CO 0.06 0.80 0.36 1.49 -0.73 0.00 0.00 179.01 180.99 3m62 h GLU 874 N -0.02 0.65 0.16 1.92 4.57 -0.44 -2.32 114.58 119.09 3m62 h GLU 874 Ca 0.01 -0.04 -0.29 0.00 -1.18 0.00 0.00 59.36 57.86 3m62 h GLU 874 Cb 0.75 -0.15 0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3m62 h GLU 874 CO 0.05 0.43 -1.29 0.22 -1.18 0.00 0.00 179.01 177.24 3m62 h ASP 875 N 0.67 0.58 0.09 1.04 3.58 -1.17 -0.11 116.42 121.10 3m62 h ASP 875 Ca 0.21 -0.61 -0.09 0.00 0.42 0.00 0.00 57.03 56.97 3m62 h ASP 875 Cb 0.03 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3m62 h ASP 875 CO -0.05 1.46 -0.28 0.25 -2.88 0.00 0.00 179.24 177.74 3m62 h LEU 876 N 0.12 0.31 0.05 2.28 5.85 -1.14 0.00 115.31 122.79 3m62 h LEU 876 Ca -0.17 -0.10 -0.37 0.00 0.84 0.00 0.00 57.88 58.08 3m62 h LEU 876 Cb 2.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.90 3m62 h LEU 876 CO 0.22 0.59 -2.19 1.21 -0.34 0.00 0.00 178.44 177.93 3m62 n GLU 877 N -4.12 0.70 0.00 1.25 4.07 -0.90 -4.63 120.64 117.01 3m62 n GLU 877 Ca -0.01 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 3m62 n GLU 877 Cb 0.40 -1.63 -0.00 0.00 -0.06 0.00 0.00 31.44 30.15 3m62 n GLU 877 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3m62 n TYR 878 N -3.28 0.00 -2.25 4.31 4.01 -0.06 -4.84 117.16 115.04 3m62 n TYR 878 Ca -0.36 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 3m62 n TYR 878 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 3m62 n TYR 878 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m62 n GLY 879 N 0.76 4.97 0.26 2.72 0.00 -0.01 -4.69 105.19 109.20 3m62 n GLY 879 Ca 0.00 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 44.03 3m62 n GLY 879 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m62 n ASP 880 N 2.93 1.08 -4.31 1.61 5.75 -1.26 -4.68 116.55 117.66 3m62 n ASP 880 Ca 0.47 -0.93 -0.34 0.00 -0.01 0.00 0.00 54.79 53.98 3m62 n ASP 880 Cb 0.32 0.14 -0.14 0.00 -1.03 0.00 0.00 41.12 40.41 3m62 n ASP 880 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3m62 s VAL 881 N -2.49 3.19 0.35 2.12 -7.23 -1.26 -5.08 120.40 110.00 3m62 s VAL 881 Ca 0.24 -0.57 -0.27 0.00 -1.81 0.00 0.00 61.98 59.57 3m62 s VAL 881 Cb 0.19 -2.42 -0.12 0.00 0.56 0.00 0.00 36.38 34.59 3m62 s VAL 881 CO 0.52 0.46 1.19 -2.65 -0.31 0.00 0.00 175.10 174.30 3m62 n PRO 882 N 4.44 1.83 -0.31 4.82 -0.02 -1.26 -4.85 135.00 139.64 3m62 n PRO 882 Ca -0.18 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 3m62 n PRO 882 Cb 0.51 -2.18 0.26 0.00 -0.02 0.00 0.00 33.50 32.07 3m62 n PRO 882 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3m62 h ASP 883 N 2.24 0.88 0.69 2.55 1.82 -1.97 -1.03 116.42 121.61 3m62 h ASP 883 Ca -0.44 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 3m62 h ASP 883 Cb 1.30 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.15 3m62 h ASP 883 CO 0.61 0.53 0.00 -1.84 -1.61 0.00 0.00 179.24 176.93 3m62 n GLU 884 N -4.52 0.06 0.00 0.28 0.28 -1.26 -2.09 120.64 113.39 3m62 n GLU 884 Ca 0.15 0.12 0.13 0.00 -0.16 0.00 0.00 57.16 57.39 3m62 n GLU 884 Cb 0.26 -1.50 0.37 0.00 1.43 0.00 0.00 31.44 32.01 3m62 n GLU 884 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3m62 n PHE 885 N -1.46 0.04 -3.37 -1.84 0.99 -0.39 -4.91 117.46 106.51 3m62 n PHE 885 Ca 0.06 0.01 -0.38 0.00 -0.00 0.00 0.00 57.45 57.14 3m62 n PHE 885 Cb 0.24 -0.36 -0.06 0.00 -1.00 0.00 0.00 39.48 38.30 3m62 n PHE 885 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3m62 s LEU 886 N -3.07 4.37 0.37 4.37 1.43 -0.89 -1.01 118.68 124.25 3m62 s LEU 886 Ca 0.12 0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 53.85 3m62 s LEU 886 Cb 0.18 -2.68 -0.11 0.00 0.03 0.00 0.00 46.19 43.61 3m62 s LEU 886 CO 0.64 0.14 1.45 -0.67 0.23 0.00 0.00 176.35 178.15 3m62 n ASP 887 N 2.84 3.60 0.23 2.29 -0.08 0.54 -4.89 116.55 121.08 3m62 n ASP 887 Ca -0.10 1.22 0.12 0.00 -1.51 0.00 0.00 54.79 54.52 3m62 n ASP 887 Cb 0.52 -1.59 0.45 0.00 2.34 0.00 0.00 41.12 42.83 3m62 n ASP 887 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3m62 h PRO 888 N 2.93 0.00 0.00 -0.67 0.13 -1.91 -2.19 132.00 130.29 3m62 h PRO 888 Ca -0.50 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 3m62 h PRO 888 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3m62 h PRO 888 CO 0.64 0.15 -1.72 1.28 -0.23 0.00 0.00 178.00 178.11 3m62 n LEU 889 N -3.24 0.00 -0.11 1.56 4.77 -1.26 -4.67 117.00 114.04 3m62 n LEU 889 Ca 0.01 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.09 3m62 n LEU 889 Cb 0.43 0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 3m62 n LEU 889 CO 0.32 0.26 0.07 0.23 -1.33 0.00 0.00 177.39 176.93 3m62 n MET 890 N -2.38 0.28 -0.70 3.23 2.81 -1.25 -4.98 117.12 114.13 3m62 n MET 890 Ca -0.17 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 3m62 n MET 890 Cb 0.83 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 3m62 n MET 890 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3m62 n TYR 891 N -1.16 0.00 -3.97 2.03 4.01 -0.82 -4.92 117.16 112.32 3m62 n TYR 891 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.58 3m62 n TYR 891 Cb 0.36 -1.70 -0.02 0.00 -0.31 0.00 0.00 39.34 37.67 3m62 n TYR 891 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3m62 s THR 892 N -1.00 5.23 0.03 -0.72 -4.23 -1.26 -4.63 115.64 109.05 3m62 s THR 892 Ca 0.00 -0.97 -0.37 0.00 -1.18 0.00 0.00 61.69 59.18 3m62 s THR 892 Cb 0.00 -3.82 -0.16 0.00 1.34 0.00 0.00 72.50 69.87 3m62 s THR 892 CO 0.00 -0.30 1.49 2.30 -0.54 0.00 0.00 174.62 177.58 3m62 n ILE 893 N -1.27 0.09 -2.70 2.99 -5.35 -1.26 -0.34 119.36 111.52 3m62 n ILE 893 Ca -0.09 -0.02 -0.40 0.00 -0.27 0.00 0.00 62.75 61.97 3m62 n ILE 893 Cb 0.57 -1.10 -0.05 0.00 -1.74 0.00 0.00 39.64 37.31 3m62 n ILE 893 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3m62 s MET 894 N 1.34 4.78 -0.19 6.28 -1.94 -0.18 -4.84 119.30 124.55 3m62 s MET 894 Ca 0.86 1.52 -0.22 0.00 -1.71 0.00 0.00 55.69 56.15 3m62 s MET 894 Cb -0.90 -3.30 -0.21 0.00 2.01 0.00 0.00 34.83 32.43 3m62 s MET 894 CO 0.49 0.38 0.30 0.87 -0.01 0.00 0.00 175.02 177.04 3m62 h LYS 895 N 4.59 0.02 -2.66 2.03 1.57 -1.92 -3.44 116.57 116.76 3m62 h LYS 895 Ca -0.44 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 57.70 3m62 h LYS 895 Cb 1.20 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 33.13 3m62 h LYS 895 CO 0.69 1.02 -0.78 -3.47 -0.57 0.00 0.00 179.45 176.34 3m62 n ASP 896 N -4.39 1.36 -4.75 0.86 4.64 -1.26 -4.97 116.55 108.04 3m62 n ASP 896 Ca -0.29 -2.83 -0.41 0.00 -1.38 0.00 0.00 54.79 49.88 3m62 n ASP 896 Cb 0.68 -0.66 -0.02 0.00 -1.04 0.00 0.00 41.12 40.09 3m62 n ASP 896 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3m62 s PRO 897 N -0.84 4.29 0.10 -0.67 0.04 -1.26 -0.27 135.00 136.40 3m62 s PRO 897 Ca 0.30 2.27 0.04 0.00 0.04 0.00 0.00 61.00 63.65 3m62 s PRO 897 Cb 0.02 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 3m62 s PRO 897 CO -0.17 -0.35 -0.11 0.14 0.04 0.00 0.00 177.00 176.55 3m62 s VAL 898 N -0.36 1.02 -0.22 -0.36 -7.23 0.59 -1.49 120.40 112.35 3m62 s VAL 898 Ca 0.56 -1.67 -0.10 0.00 -1.81 0.00 0.00 61.98 58.96 3m62 s VAL 898 Cb -0.41 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 3m62 s VAL 898 CO 0.47 -0.54 0.14 -0.63 -0.31 0.00 0.00 175.10 174.23 3m62 s ILE 899 N -2.42 5.34 0.09 -0.62 1.01 0.70 -0.57 121.20 124.73 3m62 s ILE 899 Ca 0.07 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 3m62 s ILE 899 Cb -0.03 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 3m62 s ILE 899 CO 0.01 0.40 1.10 -0.76 0.00 0.00 0.00 174.94 175.69 3m62 s LEU 900 N 0.69 4.42 0.29 2.97 1.43 -0.47 -1.94 118.68 126.07 3m62 s LEU 900 Ca 0.07 1.95 0.09 0.00 -1.03 0.00 0.00 54.13 55.21 3m62 s LEU 900 Cb -0.12 -3.59 0.44 0.00 0.03 0.00 0.00 46.19 42.95 3m62 s LEU 900 CO 0.01 -0.32 1.67 1.55 0.23 0.00 0.00 176.35 179.49 3m62 h PRO 901 N 6.18 0.11 0.06 1.29 0.13 -1.91 0.46 132.00 138.31 3m62 h PRO 901 Ca -0.42 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3m62 h PRO 901 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3m62 h PRO 901 CO 0.76 0.59 -0.03 0.00 -0.23 0.00 0.00 178.00 179.10 3m62 h ALA 902 N 1.39 -0.08 0.00 -0.56 0.00 -1.93 -3.38 119.26 114.70 3m62 h ALA 902 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3m62 h ALA 902 Cb 0.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3m62 h ALA 902 CO 0.07 -0.08 -0.49 0.66 0.00 0.00 0.00 179.25 179.41 3m62 h SER 903 N -1.01 0.00 -0.51 0.00 4.64 -1.99 -3.48 113.55 111.20 3m62 h SER 903 Ca -0.01 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 3m62 h SER 903 Cb 0.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.21 3m62 h SER 903 CO 0.01 0.49 -0.20 0.29 -0.87 0.00 0.00 176.83 176.56 3m62 n LYS 904 N -3.28 -0.81 -2.88 4.77 4.76 0.15 -5.00 118.16 115.87 3m62 n LYS 904 Ca 0.01 0.87 -0.36 0.00 -2.87 0.00 0.00 58.31 55.96 3m62 n LYS 904 Cb 0.70 -4.84 -0.06 0.00 -1.84 0.00 0.00 35.03 28.98 3m62 n LYS 904 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3m62 s MET 905 N -2.86 4.39 0.25 1.97 -1.94 -1.26 -4.72 119.30 115.15 3m62 s MET 905 Ca 0.00 1.14 -0.24 0.00 -1.71 0.00 0.00 55.69 54.88 3m62 s MET 905 Cb 0.00 -2.64 -0.09 0.00 2.01 0.00 0.00 34.83 34.11 3m62 s MET 905 CO 0.00 0.22 0.84 -0.80 -0.01 0.00 0.00 175.02 175.27 3m62 s ASN 906 N -1.81 7.30 0.09 3.03 0.01 -1.26 -1.36 114.94 120.93 3m62 s ASN 906 Ca 0.52 1.68 -0.19 0.00 -0.71 0.00 0.00 52.86 54.16 3m62 s ASN 906 Cb -0.15 -2.52 0.04 0.00 0.41 0.00 0.00 41.25 39.03 3m62 s ASN 906 CO 0.20 0.05 0.45 -0.51 -1.51 0.00 0.00 177.10 175.78 3m62 s ILE 907 N -1.44 0.05 0.31 0.60 2.07 0.26 -4.50 121.20 118.54 3m62 s ILE 907 Ca 0.44 -0.41 -0.28 0.00 -1.41 0.00 0.00 60.65 59.00 3m62 s ILE 907 Cb -0.20 -1.04 -0.09 0.00 0.13 0.00 0.00 42.46 41.26 3m62 s ILE 907 CO 0.24 -0.22 1.05 -0.62 -1.91 0.00 0.00 174.94 173.47 3m62 s ASP 908 N -2.37 7.20 0.19 4.50 3.68 -1.26 -0.30 116.67 128.32 3m62 s ASP 908 Ca -0.02 2.12 -0.13 0.00 2.13 0.00 0.00 52.55 56.65 3m62 s ASP 908 Cb 0.00 -2.61 0.21 0.00 -1.45 0.00 0.00 42.92 39.08 3m62 s ASP 908 CO -0.07 -0.18 1.67 -0.09 0.13 0.00 0.00 175.17 176.64 3m62 h ARG 909 N 3.46 0.10 -0.62 4.34 2.43 -0.97 -0.68 114.38 122.44 3m62 h ARG 909 Ca -0.47 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 58.79 3m62 h ARG 909 Cb 1.21 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 3m62 h ARG 909 CO 0.66 0.07 0.42 0.66 -1.51 0.00 0.00 179.97 180.26 3m62 h SER 910 N 0.10 0.42 -0.05 -3.80 4.64 -1.92 0.09 113.55 113.02 3m62 h SER 910 Ca 0.27 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 3m62 h SER 910 Cb 0.41 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3m62 h SER 910 CO -0.45 0.25 -0.06 0.74 -0.87 0.00 0.00 176.83 176.44 3m62 h THR 911 N 0.47 1.39 -0.52 2.95 2.02 -1.51 -1.18 112.91 116.52 3m62 h THR 911 Ca 0.29 -1.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.12 3m62 h THR 911 Cb 0.50 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 3m62 h THR 911 CO -0.08 0.34 -0.02 -0.29 0.37 0.00 0.00 175.52 175.84 3m62 h ILE 912 N -0.32 1.26 -0.38 3.11 6.09 -1.24 0.11 117.51 126.14 3m62 h ILE 912 Ca 0.01 -1.11 0.01 0.00 -1.37 0.00 0.00 64.86 62.40 3m62 h ILE 912 Cb 0.59 0.88 -0.02 0.00 0.47 0.00 0.00 36.82 38.73 3m62 h ILE 912 CO 0.02 0.39 0.23 0.50 -3.07 0.00 0.00 178.15 176.22 3m62 h LYS 913 N 0.83 0.46 0.00 2.19 3.64 -0.99 0.30 116.57 123.00 3m62 h LYS 913 Ca 0.15 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3m62 h LYS 913 Cb 0.53 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3m62 h LYS 913 CO 0.03 0.31 -0.27 0.00 -2.27 0.00 0.00 179.45 177.25 3m62 h ALA 914 N 1.15 1.39 0.20 5.00 0.00 -0.71 -1.01 119.26 125.29 3m62 h ALA 914 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3m62 h ALA 914 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3m62 h ALA 914 CO -0.05 0.34 -0.10 1.25 0.00 0.00 0.00 179.25 180.69 3m62 h HIS 915 N 0.00 -0.25 0.00 0.00 -0.00 0.61 -3.31 115.15 112.20 3m62 h HIS 915 Ca -0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3m62 h HIS 915 Cb 0.53 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 28.02 3m62 h HIS 915 CO 0.00 0.15 -0.16 -0.07 -0.00 0.00 0.00 177.93 177.86 3m62 h LEU 916 N -0.79 0.00 -1.37 0.26 3.38 -0.37 -1.66 115.31 114.75 3m62 h LEU 916 Ca -0.03 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.23 3m62 h LEU 916 Cb 0.51 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 3m62 h LEU 916 CO 0.05 0.16 0.69 0.25 0.09 0.00 0.00 178.44 179.67 3m62 h LEU 917 N 0.00 0.41 -0.34 1.67 5.85 -1.27 -3.26 115.31 118.38 3m62 h LEU 917 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3m62 h LEU 917 Cb 0.51 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3m62 h LEU 917 CO 0.02 0.04 0.00 -1.54 -0.34 0.00 0.00 178.44 176.62 3m62 n SER 918 N -4.64 0.34 -3.20 1.25 3.41 -0.71 -4.99 113.62 105.08 3m62 n SER 918 Ca 0.27 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3m62 n SER 918 Cb 0.96 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 65.34 3m62 n SER 918 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m62 s ASP 919 N -0.44 -1.02 -0.30 4.04 -1.08 -0.71 -5.08 116.67 112.07 3m62 s ASP 919 Ca 0.00 0.11 -0.06 0.00 -0.52 0.00 0.00 52.55 52.08 3m62 s ASP 919 Cb 0.00 1.78 -0.20 0.00 -1.46 0.00 0.00 42.92 43.04 3m62 s ASP 919 CO 0.00 -0.31 3.11 -1.20 0.52 0.00 0.00 175.17 177.29 3m62 n SER 920 N 5.40 5.21 -3.86 -0.34 7.64 -1.26 -3.84 113.62 122.57 3m62 n SER 920 Ca 0.03 -2.38 -0.10 0.00 1.01 0.00 0.00 58.87 57.42 3m62 n SER 920 Cb 0.52 -1.27 -0.09 0.00 -1.01 0.00 0.00 64.21 62.36 3m62 n SER 920 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3m62 s THR 921 N 1.54 0.11 -0.01 0.44 -4.23 -1.26 -1.74 115.64 110.49 3m62 s THR 921 Ca 0.59 -0.90 -0.33 0.00 -1.18 0.00 0.00 61.69 59.86 3m62 s THR 921 Cb 0.25 -0.87 -0.12 0.00 1.34 0.00 0.00 72.50 73.11 3m62 s THR 921 CO -0.01 -0.50 1.83 -0.67 -0.54 0.00 0.00 174.62 174.74 3m62 n ASP 922 N 0.76 3.52 0.00 3.99 2.03 0.53 -4.78 116.55 122.61 3m62 n ASP 922 Ca -0.19 0.99 0.07 0.00 0.52 0.00 0.00 54.79 56.17 3m62 n ASP 922 Cb 0.59 -1.41 0.30 0.00 -0.72 0.00 0.00 41.12 39.87 3m62 n ASP 922 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3m62 n PRO 923 N 6.08 0.01 -0.07 -0.67 -0.04 -1.26 -1.25 135.00 137.79 3m62 n PRO 923 Ca 0.21 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.86 3m62 n PRO 923 Cb 0.31 -1.51 -0.15 0.00 -0.04 0.00 0.00 33.50 32.11 3m62 n PRO 923 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3m62 n PHE 924 N -1.52 0.21 -0.50 0.54 3.01 -1.26 -4.63 117.46 113.31 3m62 n PHE 924 Ca 0.03 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3m62 n PHE 924 Cb 0.16 -0.99 0.00 0.00 -0.01 0.00 0.00 39.48 38.64 3m62 n PHE 924 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3m62 n ASN 925 N -2.76 0.86 -0.29 4.37 0.23 -1.21 -5.02 115.26 111.43 3m62 n ASN 925 Ca -0.27 -1.36 -0.04 0.00 -0.53 0.00 0.00 54.58 52.38 3m62 n ASN 925 Cb 1.07 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.76 3m62 n ASN 925 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3m62 n ARG 926 N -0.18 -1.17 -2.58 -3.83 5.12 -0.38 -4.99 116.66 108.65 3m62 n ARG 926 Ca 0.00 0.50 -0.40 0.00 -1.93 0.00 0.00 57.85 56.02 3m62 n ARG 926 Cb 0.31 -4.48 -0.05 0.00 -1.16 0.00 0.00 32.46 27.08 3m62 n ARG 926 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3m62 s MET 927 N -1.80 4.72 0.31 5.56 -1.94 -1.26 -4.69 119.30 120.20 3m62 s MET 927 Ca 0.00 1.69 -0.28 0.00 -1.71 0.00 0.00 55.69 55.38 3m62 s MET 927 Cb 0.00 -3.22 -0.13 0.00 2.01 0.00 0.00 34.83 33.48 3m62 s MET 927 CO 0.00 0.33 1.17 -2.30 -0.01 0.00 0.00 175.02 174.20 3m62 n PRO 928 N 1.32 1.74 -3.69 2.03 -0.02 -1.26 -0.35 135.00 134.77 3m62 n PRO 928 Ca -0.01 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 3m62 n PRO 928 Cb 0.46 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 3m62 n PRO 928 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3m62 s LEU 929 N -0.22 -0.16 0.00 2.45 2.96 -0.71 -4.67 118.68 118.33 3m62 s LEU 929 Ca 0.58 1.02 0.07 0.00 -0.22 0.00 0.00 54.13 55.59 3m62 s LEU 929 Cb -0.64 1.62 -0.03 0.00 0.50 0.00 0.00 46.19 47.64 3m62 s LEU 929 CO 0.60 -0.19 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.67 3m62 s LYS 930 N 1.09 2.11 0.33 1.98 1.02 -1.26 -4.11 119.74 120.90 3m62 s LYS 930 Ca -0.07 -0.94 0.07 0.00 0.02 0.00 0.00 55.97 55.05 3m62 s LYS 930 Cb -0.06 -2.12 0.74 0.00 -0.52 0.00 0.00 37.83 35.87 3m62 s LYS 930 CO -0.10 0.56 1.86 1.25 -0.92 0.00 0.00 175.35 178.00 3m62 h LEU 931 N 5.10 0.73 -1.37 3.17 5.85 -1.97 0.41 115.31 127.23 3m62 h LEU 931 Ca -0.45 0.04 0.33 0.00 0.84 0.00 0.00 57.88 58.64 3m62 h LEU 931 Cb 1.14 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 3m62 h LEU 931 CO 0.47 0.37 0.73 -0.33 -0.34 0.00 0.00 178.44 179.34 3m62 h GLU 932 N 0.78 0.27 -0.00 1.25 3.07 -2.04 -2.25 114.58 115.65 3m62 h GLU 932 Ca 0.46 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 3m62 h GLU 932 Cb 0.65 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3m62 h GLU 932 CO -0.22 0.18 -0.07 -0.25 -1.40 0.00 0.00 179.01 177.25 3m62 n ASP 933 N -4.66 0.30 -4.79 1.42 8.00 0.14 -4.85 116.55 112.10 3m62 n ASP 933 Ca 0.30 -0.47 -0.33 0.00 0.71 0.00 0.00 54.79 54.99 3m62 n ASP 933 Cb 1.08 -0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 42.04 3m62 n ASP 933 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3m62 s VAL 934 N -2.47 3.67 -0.15 2.53 -7.23 -0.85 -4.56 120.40 111.33 3m62 s VAL 934 Ca 0.30 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.36 3m62 s VAL 934 Cb 0.20 -3.36 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 3m62 s VAL 934 CO 0.46 -0.37 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.85 3m62 s THR 935 N -2.22 2.80 0.15 5.32 2.01 -0.82 -4.92 115.64 117.97 3m62 s THR 935 Ca 0.66 -0.73 -0.34 0.00 0.31 0.00 0.00 61.69 61.59 3m62 s THR 935 Cb -0.18 -2.18 -0.15 0.00 0.01 0.00 0.00 72.50 70.01 3m62 s THR 935 CO 0.31 0.51 1.50 -2.65 -0.69 0.00 0.00 174.62 173.61 3m62 n PRO 936 N 3.92 1.89 -3.36 4.92 -0.02 -1.26 -0.21 135.00 140.87 3m62 n PRO 936 Ca -0.19 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 3m62 n PRO 936 Cb 0.52 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3m62 n PRO 936 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3m62 n ASN 937 N 3.08 5.33 -0.05 2.55 2.85 -0.56 -4.83 115.26 123.64 3m62 n ASN 937 Ca 0.17 -3.11 -0.11 0.00 -0.11 0.00 0.00 54.58 51.42 3m62 n ASN 937 Cb 0.27 -1.29 -0.04 0.00 1.24 0.00 0.00 39.78 39.95 3m62 n ASN 937 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 3m62 h GLU 938 N 6.33 0.27 -0.67 1.20 4.57 -1.92 -0.00 114.58 124.35 3m62 h GLU 938 Ca 0.18 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.46 3m62 h GLU 938 Cb 0.83 -0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.26 3m62 h GLU 938 CO 1.02 0.30 0.10 1.49 -1.18 0.00 0.00 179.01 180.74 3m62 h GLU 939 N 0.17 0.20 -0.52 1.92 4.81 -1.98 0.14 114.58 119.32 3m62 h GLU 939 Ca 0.06 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3m62 h GLU 939 Cb 0.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3m62 h GLU 939 CO -0.01 0.13 0.03 1.25 -0.73 0.00 0.00 179.01 179.68 3m62 h LEU 940 N 0.21 0.88 -1.57 1.64 5.85 -1.89 -2.75 115.31 117.67 3m62 h LEU 940 Ca 0.37 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3m62 h LEU 940 Cb 0.60 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3m62 h LEU 940 CO -0.51 0.95 0.32 -0.09 -0.34 0.00 0.00 178.44 178.77 3m62 h ARG 941 N 0.77 0.56 0.00 1.25 2.43 0.63 -0.62 114.38 119.40 3m62 h ARG 941 Ca 0.15 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 3m62 h ARG 941 Cb 0.49 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3m62 h ARG 941 CO 0.02 0.37 -0.65 1.96 -1.51 0.00 0.00 179.97 180.16 3m62 h GLN 942 N 0.58 0.00 -0.22 0.20 1.08 -0.81 -2.15 115.11 113.78 3m62 h GLN 942 Ca 0.19 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.24 3m62 h GLN 942 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3m62 h GLN 942 CO -0.05 0.65 -0.44 0.87 -0.95 0.00 0.00 178.83 178.91 3m62 h LYS 943 N 0.00 0.70 -0.66 1.46 1.57 -0.86 -1.91 116.57 116.87 3m62 h LYS 943 Ca -0.01 -0.45 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 3m62 h LYS 943 Cb 1.19 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 3m62 h LYS 943 CO 0.08 1.07 0.20 0.82 -0.57 0.00 0.00 179.45 181.06 3m62 h ILE 944 N 0.41 1.25 0.26 1.86 2.04 -1.30 0.49 117.51 122.52 3m62 h ILE 944 Ca 0.01 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3m62 h ILE 944 Cb 1.05 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3m62 h ILE 944 CO 0.10 0.34 -0.13 -0.07 0.00 0.00 0.00 178.15 178.39 3m62 h LEU 945 N 0.96 -0.30 -0.61 1.44 3.38 -1.41 0.76 115.31 119.54 3m62 h LEU 945 Ca 0.21 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.24 3m62 h LEU 945 Cb 0.31 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 3m62 h LEU 945 CO -0.01 -0.12 0.01 0.00 0.09 0.00 0.00 178.44 178.41 3m62 h PHE 947 N 0.12 0.29 0.00 0.00 3.57 -0.68 -1.74 116.94 118.51 3m62 h PHE 947 Ca 0.32 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 3m62 h PHE 947 Cb 0.51 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3m62 h PHE 947 CO -0.35 0.16 -0.24 0.87 -2.23 0.00 0.00 178.31 176.51 3m62 h LYS 948 N 0.33 0.00 -0.16 1.11 1.57 -0.23 -2.45 116.57 116.75 3m62 h LYS 948 Ca 0.13 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.71 3m62 h LYS 948 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3m62 h LYS 948 CO -0.09 0.24 -0.71 -0.22 -0.57 0.00 0.00 179.45 178.10 3m62 h LYS 949 N 0.00 0.69 -0.72 3.15 3.64 -0.98 -2.26 116.57 120.08 3m62 h LYS 949 Ca -0.00 -0.53 0.03 0.00 -1.27 0.00 0.00 60.65 58.87 3m62 h LYS 949 Cb 0.45 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3m62 h LYS 949 CO 0.03 1.15 0.48 1.96 -2.27 0.00 0.00 179.45 180.80 3m62 h GLN 950 N 0.48 0.88 0.00 1.90 1.08 -0.85 -2.98 115.11 115.64 3m62 h GLN 950 Ca -0.03 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.94 3m62 h GLN 950 Cb 1.32 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 3m62 h GLN 950 CO 0.14 0.58 -1.04 0.87 -0.95 0.00 0.00 178.83 178.44 3m62 h LYS 951 N 0.91 0.00 0.00 1.46 1.79 -1.50 -3.33 116.57 115.91 3m62 h LYS 951 Ca 0.28 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.72 3m62 h LYS 951 Cb 0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3m62 h LYS 951 CO -0.08 0.55 -0.15 -0.22 -1.08 0.00 0.00 179.45 178.47 3m62 h LYS 952 N 0.00 0.00 -0.00 3.15 3.64 -1.24 -2.96 116.57 119.16 3m62 h LYS 952 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3m62 h LYS 952 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 3m62 h LYS 952 CO 0.08 0.15 -0.08 0.39 -2.27 0.00 0.00 179.45 177.72 3m62 n GLU 953 N -3.80 0.24 -0.07 1.90 1.02 -1.22 -3.53 120.64 115.17 3m62 n GLU 953 Ca -0.02 -0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.87 3m62 n GLU 953 Cb 0.26 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 3m62 n GLU 953 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3m62 n GLU 954 N -1.35 0.68 0.00 3.49 -0.58 -1.12 -5.17 120.64 116.60 3m62 n GLU 954 Ca 0.10 0.26 0.05 0.00 -0.42 0.00 0.00 57.16 57.15 3m62 n GLU 954 Cb 0.30 -1.63 0.28 0.00 -0.57 0.00 0.00 31.44 29.82 3m62 n GLU 954 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65