#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3icr s SER 2 N 0.00 2.08 -0.05 1.61 0.15 -1.26 -4.82 113.70 111.41 3icr s SER 2 Ca 0.00 -0.82 -0.15 0.00 0.70 0.00 0.00 55.95 55.68 3icr s SER 2 Cb 0.00 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 3icr s SER 2 CO 0.00 -0.14 0.34 -0.13 1.20 0.00 0.00 173.24 174.52 3icr s ARG 3 N -2.71 0.62 -0.44 5.44 0.52 -1.26 -5.01 118.95 116.10 3icr s ARG 3 Ca 0.10 0.03 -0.17 0.00 -0.52 0.00 0.00 55.73 55.17 3icr s ARG 3 Cb -0.05 0.28 0.03 0.00 0.52 0.00 0.00 34.95 35.74 3icr s ARG 3 CO 0.03 -0.15 0.44 0.21 0.02 0.00 0.00 175.30 175.85 3icr s LYS 4 N -0.88 3.06 -0.23 3.54 2.20 -1.26 -1.51 119.74 124.66 3icr s LYS 4 Ca -0.10 -0.90 -0.07 0.00 -0.36 0.00 0.00 55.97 54.55 3icr s LYS 4 Cb -0.04 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.24 3icr s LYS 4 CO 0.03 -0.91 0.04 0.42 -0.36 0.00 0.00 175.35 174.58 3icr s ILE 5 N 2.06 4.21 -0.18 5.43 1.01 0.21 -0.86 121.20 133.09 3icr s ILE 5 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 3icr s ILE 5 Cb -0.19 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3icr s ILE 5 CO 0.12 0.38 -0.03 -0.69 0.00 0.00 0.00 174.94 174.72 3icr s VAL 6 N 1.33 3.80 -0.18 2.92 1.01 0.01 -1.30 120.40 127.97 3icr s VAL 6 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3icr s VAL 6 Cb -0.15 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3icr s VAL 6 CO 0.03 0.46 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 3icr s VAL 7 N 0.75 3.28 -0.31 2.92 1.01 0.18 -0.76 120.40 127.48 3icr s VAL 7 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 3icr s VAL 7 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3icr s VAL 7 CO 0.02 0.47 0.19 -0.69 0.00 0.00 0.00 175.10 175.09 3icr s VAL 8 N 1.00 5.08 0.00 2.92 1.01 0.84 0.25 120.40 131.50 3icr s VAL 8 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3icr s VAL 8 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3icr s VAL 8 CO -0.00 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3icr n GLY 9 N 5.05 2.02 1.10 4.51 0.00 0.31 -0.48 105.19 117.70 3icr n GLY 9 Ca -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 3icr n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 10 N 2.41 4.85 0.00 -0.02 0.00 -1.26 -4.05 105.19 107.12 3icr n GLY 10 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3icr n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3icr n VAL 11 N -1.09 0.00 0.48 1.61 0.31 -1.26 -1.48 118.33 116.90 3icr n VAL 11 Ca 0.31 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.45 3icr n VAL 11 Cb 1.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.84 3icr n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3icr h ALA 12 N 0.29 -1.32 -0.12 3.52 0.00 -1.93 -0.47 119.26 119.24 3icr h ALA 12 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3icr h ALA 12 Cb 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3icr h ALA 12 CO 0.00 -1.24 -0.14 0.78 0.00 0.00 0.00 179.25 178.65 3icr h GLY 13 N -1.24 0.33 0.86 0.00 0.00 -1.88 -2.91 103.07 98.23 3icr h GLY 13 Ca -0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3icr h GLY 13 CO 0.18 0.32 0.02 -1.33 0.00 0.00 0.00 176.54 175.73 3icr h GLY 14 N -0.10 0.06 1.77 4.60 0.00 -1.70 -1.35 103.07 106.35 3icr h GLY 14 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 3icr h GLY 14 CO 0.03 0.03 -0.38 0.00 0.00 0.00 0.00 176.54 176.22 3icr h ALA 15 N 0.87 1.13 0.00 3.60 0.00 -1.22 -1.86 119.26 121.77 3icr h ALA 15 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3icr h ALA 15 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3icr h ALA 15 CO -0.00 0.57 -0.00 0.77 0.00 0.00 0.00 179.25 180.59 3icr h SER 16 N 0.23 -0.00 -0.67 0.00 0.02 -1.37 -1.95 113.55 109.80 3icr h SER 16 Ca 0.02 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3icr h SER 16 Cb 0.77 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 3icr h SER 16 CO 0.06 0.21 0.24 1.62 -1.14 0.00 0.00 176.83 177.82 3icr h VAL 17 N -0.22 1.25 -0.44 2.27 3.04 -1.24 -2.94 116.25 117.97 3icr h VAL 17 Ca -0.00 -0.80 -0.02 0.00 -1.01 0.00 0.00 66.70 64.87 3icr h VAL 17 Cb 0.22 0.51 -0.02 0.00 -2.01 0.00 0.00 31.29 29.99 3icr h VAL 17 CO 0.00 0.31 0.19 0.00 -1.01 0.00 0.00 177.57 177.06 3icr h ALA 18 N 1.10 0.56 -0.33 3.17 0.00 -1.31 -0.70 119.26 121.77 3icr h ALA 18 Ca 0.22 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3icr h ALA 18 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3icr h ALA 18 CO -0.01 0.15 -0.13 0.00 0.00 0.00 0.00 179.25 179.25 3icr h ALA 19 N 1.03 0.45 -0.56 0.00 0.00 -1.37 -2.64 119.26 116.18 3icr h ALA 19 Ca 0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3icr h ALA 19 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3icr h ALA 19 CO -0.01 0.34 0.03 -0.09 0.00 0.00 0.00 179.25 179.52 3icr h ARG 20 N 0.44 0.97 -0.56 0.00 9.65 -1.50 -2.88 114.38 120.51 3icr h ARG 20 Ca 0.08 -0.29 0.11 0.00 -1.10 0.00 0.00 59.98 58.77 3icr h ARG 20 Cb 0.66 -0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 29.05 3icr h ARG 20 CO 0.04 0.96 0.03 -0.07 2.80 0.00 0.00 179.97 183.73 3icr h LEU 21 N 0.86 -0.18 -0.80 3.80 3.38 -1.03 -1.89 115.31 119.45 3icr h LEU 21 Ca 0.16 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 3icr h LEU 21 Cb 0.50 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3icr h LEU 21 CO 0.02 -0.06 0.49 -0.09 0.09 0.00 0.00 178.44 178.89 3icr h ARG 22 N 0.15 1.08 0.00 1.13 9.65 -1.38 -0.50 114.38 124.50 3icr h ARG 22 Ca 0.29 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 3icr h ARG 22 Cb 0.44 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 3icr h ARG 22 CO -0.44 0.75 -0.01 0.00 2.80 0.00 0.00 179.97 183.07 3icr h ARG 23 N 1.09 0.00 0.06 0.20 3.08 -1.15 -2.49 114.38 115.18 3icr h ARG 23 Ca 0.29 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.99 3icr h ARG 23 Cb -0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3icr h ARG 23 CO -0.06 0.01 -1.98 1.28 -1.07 0.00 0.00 179.97 178.16 3icr n LEU 24 N -3.15 1.89 -3.72 3.04 4.77 -0.65 -4.91 117.00 114.27 3icr n LEU 24 Ca -0.02 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 3icr n LEU 24 Cb 0.16 -0.55 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 3icr n LEU 24 CO 0.23 0.68 -0.30 -0.55 -1.33 0.00 0.00 177.39 176.12 3icr s SER 25 N -6.56 0.41 0.24 -1.43 0.15 -0.29 -5.00 113.70 101.22 3icr s SER 25 Ca -0.17 0.15 0.24 0.00 0.70 0.00 0.00 55.95 56.88 3icr s SER 25 Cb 0.07 0.02 0.44 0.00 -1.71 0.00 0.00 66.02 64.84 3icr s SER 25 CO 0.78 -0.18 1.50 -0.33 1.20 0.00 0.00 173.24 176.20 3icr h GLU 26 N 7.74 0.00 0.04 5.44 4.39 -1.87 -3.38 114.58 126.94 3icr h GLU 26 Ca -0.32 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.12 3icr h GLU 26 Cb 1.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 3icr h GLU 26 CO 0.33 0.00 -1.33 0.93 -1.16 0.00 0.00 179.01 177.78 3icr h GLU 27 N 0.00 0.09 -6.96 2.33 5.08 -1.92 -3.47 114.58 109.73 3icr h GLU 27 Ca 0.00 -0.15 -0.53 0.00 -1.00 0.00 0.00 59.36 57.68 3icr h GLU 27 Cb 0.85 0.06 0.09 0.00 0.50 0.00 0.00 28.75 30.24 3icr h GLU 27 CO 0.00 0.93 0.63 -0.51 -1.00 0.00 0.00 179.01 179.06 3icr s ASP 28 N -6.67 6.20 -0.20 1.42 1.01 -1.26 -4.68 116.67 112.48 3icr s ASP 28 Ca -0.03 2.70 -0.22 0.00 0.71 0.00 0.00 52.55 55.71 3icr s ASP 28 Cb 0.08 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3icr s ASP 28 CO 0.83 -0.93 0.68 -0.70 0.21 0.00 0.00 175.17 175.26 3icr s GLU 29 N -2.31 4.21 -0.16 8.23 2.12 -0.57 -4.97 118.70 125.26 3icr s GLU 29 Ca 0.58 0.71 0.01 0.00 0.36 0.00 0.00 54.97 56.63 3icr s GLU 29 Cb -0.39 -3.59 0.02 0.00 0.26 0.00 0.00 34.13 30.42 3icr s GLU 29 CO 0.50 -0.30 -0.19 0.42 -0.54 0.00 0.00 175.26 175.14 3icr s ILE 30 N 2.12 1.95 0.18 -3.70 1.01 -1.26 -0.61 121.20 120.88 3icr s ILE 30 Ca 0.31 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3icr s ILE 30 Cb -0.16 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3icr s ILE 30 CO 0.10 0.52 0.05 -0.38 0.00 0.00 0.00 174.94 175.23 3icr n ILE 31 N 4.47 0.00 -3.23 2.92 5.41 -0.42 -1.21 119.36 127.30 3icr n ILE 31 Ca -0.20 -0.82 0.03 0.00 1.00 0.00 0.00 62.75 62.76 3icr n ILE 31 Cb 0.50 -0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.39 3icr n ILE 31 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3icr s VAL 33 N -1.41 -0.17 -0.05 1.39 1.01 0.14 0.52 120.40 121.82 3icr s VAL 33 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3icr s VAL 33 Cb -0.00 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3icr s VAL 33 CO 0.02 0.00 -0.11 -0.70 0.00 0.00 0.00 175.10 174.32 3icr s GLU 34 N 2.20 1.45 0.14 2.72 2.56 0.28 -0.53 118.70 127.52 3icr s GLU 34 Ca -0.01 -0.36 0.07 0.00 0.00 0.00 0.00 54.97 54.68 3icr s GLU 34 Cb -0.02 -1.24 -0.14 0.00 2.00 0.00 0.00 34.13 34.73 3icr s GLU 34 CO -0.16 0.04 1.32 0.07 -0.56 0.00 0.00 175.26 175.97 3icr h ARG 35 N 6.86 0.01 -7.58 4.30 0.11 -1.72 0.07 114.38 116.43 3icr h ARG 35 Ca -0.33 -0.01 -0.45 0.00 0.10 0.00 0.00 59.98 59.29 3icr h ARG 35 Cb 1.18 0.00 0.13 0.00 1.11 0.00 0.00 29.97 32.39 3icr h ARG 35 CO 0.48 0.96 0.32 0.20 0.10 0.00 0.00 179.97 182.02 3icr s GLY 36 N -4.68 1.76 0.44 0.08 0.00 -1.26 -3.38 107.32 100.29 3icr s GLY 36 Ca 0.01 -1.32 0.24 0.00 0.00 0.00 0.00 44.72 43.65 3icr s GLY 36 CO 0.81 -0.64 1.72 -2.09 0.00 0.00 0.00 173.10 172.91 3icr h GLU 37 N -1.24 0.00 -6.44 2.90 4.81 -1.95 -1.08 114.58 111.58 3icr h GLU 37 Ca -0.42 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.18 3icr h GLU 37 Cb 1.25 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.39 3icr h GLU 37 CO 0.41 0.15 -0.86 0.71 -0.73 0.00 0.00 179.01 178.70 3icr s TYR 38 N -3.39 2.05 0.21 0.92 2.02 -1.26 -4.83 117.35 113.06 3icr s TYR 38 Ca 0.03 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.42 3icr s TYR 38 Cb 0.08 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3icr s TYR 38 CO 0.65 0.17 0.03 0.96 -1.57 0.00 0.00 175.55 175.78 3icr s ILE 39 N -0.91 3.79 -1.18 2.71 -4.36 -1.26 -4.75 121.20 115.24 3icr s ILE 39 Ca 0.10 -1.52 -0.02 0.00 -0.26 0.00 0.00 60.65 58.95 3icr s ILE 39 Cb -0.10 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.67 3icr s ILE 39 CO 0.03 -0.20 0.12 -1.20 0.24 0.00 0.00 174.94 173.93 3icr n SER 40 N -0.45 -4.17 -4.80 4.36 7.64 -0.55 -4.53 113.62 111.12 3icr n SER 40 Ca -0.09 0.05 -0.33 0.00 1.01 0.00 0.00 58.87 59.52 3icr n SER 40 Cb 0.56 -3.51 0.01 0.00 -1.01 0.00 0.00 64.21 60.27 3icr n SER 40 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3icr s PHE 41 N -2.74 2.95 -1.24 1.43 -0.12 -1.26 -2.30 117.98 114.71 3icr s PHE 41 Ca 0.09 1.52 -0.17 0.00 -0.05 0.00 0.00 56.93 58.31 3icr s PHE 41 Cb -0.04 -3.03 0.10 0.00 -0.63 0.00 0.00 43.02 39.41 3icr s PHE 41 CO 0.11 -1.16 1.61 0.00 -0.05 0.00 0.00 175.22 175.72 3icr s ALA 42 N -2.39 3.45 0.35 1.99 0.00 0.12 -4.80 121.76 120.48 3icr s ALA 42 Ca 0.64 -2.97 0.14 0.00 0.00 0.00 0.00 51.96 49.77 3icr s ALA 42 Cb -0.17 -4.48 1.01 0.00 0.00 0.00 0.00 23.12 19.48 3icr s ALA 42 CO 0.36 -3.18 1.73 -0.91 0.00 0.00 0.00 175.76 173.76 3icr h ASN 43 N 7.71 0.56 0.63 0.00 4.21 -1.89 -1.33 115.58 125.46 3icr h ASN 43 Ca 0.38 0.12 -0.09 0.00 1.21 0.00 0.00 56.30 57.92 3icr h ASN 43 Cb 0.89 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.11 3icr h ASN 43 CO 1.39 0.06 -0.44 0.00 -1.29 0.00 0.00 177.43 177.15 3icr n GLY 45 N 0.02 -1.49 0.22 0.00 0.00 -0.50 -4.35 105.19 99.09 3icr n GLY 45 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 3icr n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3icr h LEU 46 N 0.00 -0.06 -1.63 0.99 3.38 -1.54 0.04 115.31 116.49 3icr h LEU 46 Ca 0.00 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3icr h LEU 46 Cb 0.63 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3icr h LEU 46 CO 0.00 -0.01 0.18 -0.65 0.09 0.00 0.00 178.44 178.05 3icr h PRO 47 N 0.22 0.43 0.00 1.13 0.11 -1.83 -1.37 132.00 130.69 3icr h PRO 47 Ca 0.30 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 3icr h PRO 47 Cb 0.44 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3icr h PRO 47 CO -0.41 0.31 -0.66 1.88 -0.21 0.00 0.00 178.00 178.91 3icr h TYR 48 N 0.44 0.00 -0.10 0.65 0.05 -1.33 -0.15 116.97 116.53 3icr h TYR 48 Ca 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 3icr h TYR 48 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 3icr h TYR 48 CO 0.00 0.66 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.79 3icr h TYR 49 N 0.00 0.26 -0.95 4.88 3.20 -0.80 0.91 116.97 124.47 3icr h TYR 49 Ca -0.01 -0.07 0.11 0.00 3.14 0.00 0.00 58.73 61.91 3icr h TYR 49 Cb 1.30 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 39.43 3icr h TYR 49 CO 0.00 0.59 0.58 0.82 -1.64 0.00 0.00 178.16 178.51 3icr h ILE 50 N -0.15 0.91 0.00 1.81 2.04 -1.11 -1.96 117.51 119.05 3icr h ILE 50 Ca 0.02 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3icr h ILE 50 Cb 0.53 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3icr h ILE 50 CO 0.02 0.17 0.00 0.61 0.00 0.00 0.00 178.15 178.95 3icr n GLY 51 N -1.34 -0.92 2.16 5.37 0.00 -0.08 -4.89 105.19 105.49 3icr n GLY 51 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 3icr n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 52 N 0.65 0.72 0.12 -0.02 0.00 -0.74 -4.66 105.19 101.26 3icr n GLY 52 Ca 0.15 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 3icr n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3icr n VAL 53 N -2.84 1.61 -2.83 1.61 0.31 0.18 -4.43 118.33 111.93 3icr n VAL 53 Ca -0.04 -0.29 -0.43 0.00 -0.01 0.00 0.00 64.34 63.57 3icr n VAL 53 Cb 0.16 -1.90 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 3icr n VAL 53 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3icr s ILE 54 N -2.45 4.31 -0.24 2.52 1.01 -0.41 -4.89 121.20 121.05 3icr s ILE 54 Ca -0.28 -0.08 0.19 0.00 0.00 0.00 0.00 60.65 60.48 3icr s ILE 54 Cb 0.07 -4.64 0.19 0.00 0.01 0.00 0.00 42.46 38.09 3icr s ILE 54 CO 0.64 -1.35 1.55 0.71 0.00 0.00 0.00 174.94 176.48 3icr h THR 55 N 5.99 0.49 -3.51 2.92 1.35 -1.87 -3.38 112.91 114.90 3icr h THR 55 Ca -0.28 -1.63 -0.71 0.00 -0.55 0.00 0.00 66.41 63.24 3icr h THR 55 Cb 1.07 2.19 -0.27 0.00 -1.73 0.00 0.00 68.15 69.41 3icr h THR 55 CO 1.15 0.27 -0.49 -0.70 -0.25 0.00 0.00 175.52 175.50 3icr s GLU 56 N -3.13 2.69 0.29 4.72 2.12 -1.26 -4.96 118.70 119.17 3icr s GLU 56 Ca 0.05 -1.31 0.03 0.00 0.36 0.00 0.00 54.97 54.10 3icr s GLU 56 Cb 0.07 -3.75 0.66 0.00 0.26 0.00 0.00 34.13 31.37 3icr s GLU 56 CO 0.70 -0.85 1.76 -0.09 -0.54 0.00 0.00 175.26 176.24 3icr h ARG 57 N 8.42 0.64 0.00 4.30 2.43 -1.99 -2.11 114.38 126.07 3icr h ARG 57 Ca -0.24 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3icr h ARG 57 Cb 1.09 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3icr h ARG 57 CO 0.72 0.43 -0.04 0.37 -1.51 0.00 0.00 179.97 179.93 3icr h GLN 58 N 0.66 0.00 0.00 0.20 5.75 -1.97 -0.71 115.11 119.04 3icr h GLN 58 Ca 0.54 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.03 3icr h GLN 58 Cb 0.84 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.39 3icr h GLN 58 CO -0.40 0.04 -0.02 0.87 -2.65 0.00 0.00 178.83 176.68 3icr h LYS 59 N 0.00 0.00 0.00 1.69 1.57 -1.81 -2.56 116.57 115.46 3icr h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3icr h LYS 59 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3icr h LYS 59 CO 0.01 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 3icr n LEU 60 N -3.48 0.36 -4.24 2.94 4.77 -0.27 -4.40 117.00 112.68 3icr n LEU 60 Ca -0.03 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.11 3icr n LEU 60 Cb 0.11 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 3icr n LEU 60 CO 0.25 -0.37 0.03 -0.76 -1.33 0.00 0.00 177.39 175.21 3icr s LEU 61 N -3.79 5.86 0.05 2.23 1.43 -0.97 0.14 118.68 123.64 3icr s LEU 61 Ca 0.06 -1.88 -0.20 0.00 -1.03 0.00 0.00 54.13 51.09 3icr s LEU 61 Cb 0.10 -2.08 -0.13 0.00 0.03 0.00 0.00 46.19 44.11 3icr s LEU 61 CO 0.36 -0.75 1.37 0.58 0.23 0.00 0.00 176.35 178.15 3icr h VAL 62 N 6.06 1.33 -4.05 -1.59 2.07 -1.66 -3.44 116.25 114.97 3icr h VAL 62 Ca -0.24 -1.25 -0.43 0.00 0.82 0.00 0.00 66.70 65.60 3icr h VAL 62 Cb 1.08 1.79 -0.26 0.00 -1.52 0.00 0.00 31.29 32.38 3icr h VAL 62 CO 0.92 0.37 -0.79 -1.10 0.02 0.00 0.00 177.57 176.99 3icr s GLN 63 N -4.41 0.90 0.55 1.57 -0.21 -1.26 -5.10 119.66 111.70 3icr s GLN 63 Ca -0.14 -0.66 -0.07 0.00 0.02 0.00 0.00 55.36 54.51 3icr s GLN 63 Cb 0.06 -0.88 -0.03 0.00 1.00 0.00 0.00 33.01 33.16 3icr s GLN 63 CO 0.76 0.22 0.88 0.95 -2.12 0.00 0.00 175.29 175.98 3icr s THR 64 N -0.72 4.57 0.11 -0.19 -4.23 -1.26 -4.64 115.64 109.27 3icr s THR 64 Ca 0.02 0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 60.67 3icr s THR 64 Cb -0.07 -3.78 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 3icr s THR 64 CO 0.01 -0.85 1.75 0.58 -0.54 0.00 0.00 174.62 175.57 3icr h VAL 65 N -0.03 1.04 -0.66 2.29 2.07 -1.94 -3.20 116.25 115.82 3icr h VAL 65 Ca -0.46 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 3icr h VAL 65 Cb 1.21 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3icr h VAL 65 CO 0.62 0.04 0.10 -0.33 0.02 0.00 0.00 177.57 178.02 3icr h GLU 66 N 0.16 1.10 -0.40 1.57 3.07 -1.98 -1.33 114.58 116.76 3icr h GLU 66 Ca 0.05 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3icr h GLU 66 Cb -0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3icr h GLU 66 CO -0.01 1.01 0.00 0.54 -1.40 0.00 0.00 179.01 179.15 3icr n ARG 67 N -4.23 0.53 0.00 2.33 1.74 -1.21 -2.31 116.66 113.51 3icr n ARG 67 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3icr n ARG 67 Cb 0.29 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3icr n ARG 67 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3icr n SER 69 N 0.06 0.00 0.09 0.55 3.41 -0.50 -0.37 113.62 116.87 3icr n SER 69 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3icr n SER 69 Cb 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 3icr n SER 69 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3icr h LYS 70 N 0.00 -0.26 -0.54 4.33 1.63 -1.70 0.20 116.57 120.22 3icr h LYS 70 Ca 0.00 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 3icr h LYS 70 Cb 0.00 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 3icr h LYS 70 CO 0.00 0.11 0.31 -0.09 -3.45 0.00 0.00 179.45 176.33 3icr h ARG 71 N -0.72 0.58 -0.27 1.90 2.43 -0.97 -3.03 114.38 114.30 3icr h ARG 71 Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3icr h ARG 71 Cb 0.49 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3icr h ARG 71 CO 0.05 0.38 0.00 1.19 -1.51 0.00 0.00 179.97 180.08 3icr n PHE 72 N -4.82 0.89 -4.05 2.20 3.72 -1.25 -4.98 117.46 109.18 3icr n PHE 72 Ca 0.05 -0.83 -0.32 0.00 -0.05 0.00 0.00 57.45 56.29 3icr n PHE 72 Cb 0.11 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 3icr n PHE 72 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3icr n ASN 73 N -0.38 -1.40 -4.74 4.37 5.15 -0.08 -4.89 115.26 113.29 3icr n ASN 73 Ca 0.20 -1.15 -0.36 0.00 -0.60 0.00 0.00 54.58 52.68 3icr n ASN 73 Cb 0.84 -2.40 -0.08 0.00 -0.53 0.00 0.00 39.78 37.60 3icr n ASN 73 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3icr s LEU 74 N -7.12 3.87 -0.94 1.20 1.02 -0.39 -4.72 118.68 111.60 3icr s LEU 74 Ca 0.17 0.24 -0.19 0.00 0.02 0.00 0.00 54.13 54.37 3icr s LEU 74 Cb -0.08 -1.92 0.13 0.00 0.02 0.00 0.00 46.19 44.35 3icr s LEU 74 CO 0.93 0.37 1.14 -0.62 0.02 0.00 0.00 176.35 178.19 3icr s ASP 75 N -0.79 6.63 -0.25 2.29 -1.08 -0.35 -4.55 116.67 118.57 3icr s ASP 75 Ca 0.13 -2.04 -0.11 0.00 -0.52 0.00 0.00 52.55 50.00 3icr s ASP 75 Cb -0.12 -2.40 -0.05 0.00 -1.46 0.00 0.00 42.92 38.89 3icr s ASP 75 CO 0.03 -1.07 0.18 -0.63 0.52 0.00 0.00 175.17 174.19 3icr s ILE 76 N 2.72 5.34 -0.35 4.11 1.01 -1.26 -4.30 121.20 128.48 3icr s ILE 76 Ca 0.33 0.19 0.03 0.00 0.00 0.00 0.00 60.65 61.20 3icr s ILE 76 Cb -0.05 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 39.01 3icr s ILE 76 CO -0.09 0.31 0.07 -0.13 0.00 0.00 0.00 174.94 175.10 3icr s ARG 77 N 1.30 1.37 0.72 2.79 0.52 -1.26 -5.04 118.95 119.35 3icr s ARG 77 Ca 0.08 -1.79 -0.06 0.00 -0.52 0.00 0.00 55.73 53.44 3icr s ARG 77 Cb -0.14 -3.00 0.08 0.00 0.52 0.00 0.00 34.95 32.41 3icr s ARG 77 CO 0.07 -0.96 1.02 0.14 0.02 0.00 0.00 175.30 175.59 3icr s VAL 78 N 0.95 2.26 -1.64 3.52 -7.23 -1.25 -0.56 120.40 116.46 3icr s VAL 78 Ca 0.11 -0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 59.83 3icr s VAL 78 Cb -0.19 -2.93 0.11 0.00 0.56 0.00 0.00 36.38 33.93 3icr s VAL 78 CO -0.10 0.00 0.54 0.18 -0.31 0.00 0.00 175.10 175.40 3icr n LEU 79 N -2.94 -1.57 -3.73 1.32 4.77 -0.17 -4.85 117.00 109.83 3icr n LEU 79 Ca 0.10 -1.09 -0.26 0.00 -0.03 0.00 0.00 56.01 54.73 3icr n LEU 79 Cb 0.60 -1.96 -0.17 0.00 -2.33 0.00 0.00 43.42 39.56 3icr n LEU 79 CO 0.49 0.32 -0.37 -0.44 -1.33 0.00 0.00 177.39 176.07 3icr s SER 80 N -3.73 2.42 -0.24 -1.43 0.01 -0.17 -1.76 113.70 108.79 3icr s SER 80 Ca 0.45 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 57.07 3icr s SER 80 Cb -0.25 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 3icr s SER 80 CO 0.95 -0.27 0.12 -0.70 0.41 0.00 0.00 173.24 173.75 3icr s GLU 81 N 1.92 3.91 -0.13 12.44 2.12 -0.35 -2.23 118.70 136.38 3icr s GLU 81 Ca 0.01 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 3icr s GLU 81 Cb -0.15 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3icr s GLU 81 CO -0.07 -0.02 1.22 0.08 -0.54 0.00 0.00 175.26 175.93 3icr s VAL 82 N 1.23 4.31 -0.48 3.70 1.01 -1.26 0.18 120.40 129.09 3icr s VAL 82 Ca 0.06 1.61 0.16 0.00 0.00 0.00 0.00 61.98 63.81 3icr s VAL 82 Cb -0.14 -4.04 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 3icr s VAL 82 CO 0.05 -0.09 0.56 1.33 0.00 0.00 0.00 175.10 176.94 3icr n VAL 83 N 5.11 0.00 -3.64 2.92 0.24 -0.02 -4.95 118.33 118.00 3icr n VAL 83 Ca 0.13 -0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 3icr n VAL 83 Cb 0.45 0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 33.43 3icr n VAL 83 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3icr s LYS 84 N -2.73 0.65 -0.18 7.34 2.20 -1.22 -4.98 119.74 120.82 3icr s LYS 84 Ca 0.02 0.88 -0.08 0.00 -0.36 0.00 0.00 55.97 56.42 3icr s LYS 84 Cb 0.11 0.26 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 3icr s LYS 84 CO 0.66 -0.10 0.11 0.42 -0.36 0.00 0.00 175.35 176.08 3icr s ILE 85 N 0.73 5.21 -0.87 5.43 1.01 -1.26 -1.29 121.20 130.16 3icr s ILE 85 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 3icr s ILE 85 Cb -0.05 -3.34 0.22 0.00 0.01 0.00 0.00 42.46 39.30 3icr s ILE 85 CO -0.08 0.48 0.80 0.59 0.00 0.00 0.00 174.94 176.74 3icr n ASN 86 N 3.22 4.19 0.26 3.58 3.02 0.14 -4.69 115.26 124.98 3icr n ASN 86 Ca -0.17 -3.20 0.13 0.00 -0.03 0.00 0.00 54.58 51.31 3icr n ASN 86 Cb 0.53 -0.99 0.66 0.00 -0.61 0.00 0.00 39.78 39.36 3icr n ASN 86 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3icr h LYS 87 N 5.68 0.00 0.00 3.52 2.10 -1.92 0.08 116.57 126.04 3icr h LYS 87 Ca 0.17 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.60 3icr h LYS 87 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 3icr h LYS 87 CO 0.88 0.13 -0.94 0.93 -2.00 0.00 0.00 179.45 178.46 3icr h GLU 88 N 0.00 0.38 -0.02 0.07 4.39 -1.93 -3.16 114.58 114.31 3icr h GLU 88 Ca -0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3icr h GLU 88 Cb 0.48 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3icr h GLU 88 CO 0.02 1.09 -0.10 0.39 -1.16 0.00 0.00 179.01 179.24 3icr n GLU 89 N -3.73 1.62 -3.88 2.33 4.71 -0.97 -4.97 120.64 115.75 3icr n GLU 89 Ca -0.06 -1.12 -0.29 0.00 -0.01 0.00 0.00 57.16 55.67 3icr n GLU 89 Cb 0.83 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 3icr n GLU 89 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3icr n LYS 90 N 0.29 -2.27 -4.24 3.49 5.02 -0.05 -4.90 118.16 115.51 3icr n LYS 90 Ca 0.15 0.38 -0.14 0.00 -2.02 0.00 0.00 58.31 56.69 3icr n LYS 90 Cb 0.43 -4.19 -0.10 0.00 -0.02 0.00 0.00 35.03 31.15 3icr n LYS 90 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3icr s THR 91 N -3.77 1.12 0.17 -0.18 -4.23 -0.80 -1.65 115.64 106.30 3icr s THR 91 Ca 0.20 -2.03 0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3icr s THR 91 Cb -0.08 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 3icr s THR 91 CO 0.89 -0.75 -0.24 0.27 -0.54 0.00 0.00 174.62 174.25 3icr s ILE 92 N -3.32 2.23 -0.22 2.99 -4.36 0.86 0.29 121.20 119.68 3icr s ILE 92 Ca 0.16 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 58.54 3icr s ILE 92 Cb 0.03 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 3icr s ILE 92 CO 0.00 -0.08 0.11 -0.89 0.24 0.00 0.00 174.94 174.32 3icr s THR 93 N -1.53 5.05 -0.10 8.37 2.01 -0.41 -0.02 115.64 129.01 3icr s THR 93 Ca 0.18 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.25 3icr s THR 93 Cb -0.08 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3icr s THR 93 CO 0.08 0.39 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.67 3icr s ILE 94 N 0.82 3.32 -0.21 1.82 1.01 0.52 -0.84 121.20 127.64 3icr s ILE 94 Ca 0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3icr s ILE 94 Cb -0.13 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3icr s ILE 94 CO 0.02 0.55 -0.01 -0.75 0.00 0.00 0.00 174.94 174.75 3icr s LYS 95 N -0.16 3.54 -0.11 2.79 2.20 0.13 -0.82 119.74 127.30 3icr s LYS 95 Ca 0.01 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 3icr s LYS 95 Cb -0.13 -3.05 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 3icr s LYS 95 CO 0.03 -0.05 2.07 1.21 -0.36 0.00 0.00 175.35 178.25 3icr s ASN 96 N 1.14 5.94 0.39 1.43 3.84 0.76 -1.21 114.94 127.23 3icr s ASN 96 Ca 0.02 2.19 0.06 0.00 0.21 0.00 0.00 52.86 55.35 3icr s ASN 96 Cb -0.14 -2.52 0.78 0.00 -0.55 0.00 0.00 41.25 38.82 3icr s ASN 96 CO 0.01 -1.53 2.00 0.58 -2.79 0.00 0.00 177.10 175.36 3icr h VAL 97 N 6.45 1.14 -0.06 -5.21 2.07 -1.67 0.51 116.25 119.48 3icr h VAL 97 Ca -0.44 -0.40 -0.13 0.00 0.82 0.00 0.00 66.70 66.56 3icr h VAL 97 Cb 1.23 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3icr h VAL 97 CO 0.96 0.16 -0.46 0.74 0.02 0.00 0.00 177.57 178.99 3icr h THR 98 N 0.52 1.41 0.00 2.57 2.02 -1.90 -3.37 112.91 114.15 3icr h THR 98 Ca 0.13 -1.87 -0.18 0.00 0.77 0.00 0.00 66.41 65.26 3icr h THR 98 Cb 0.08 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 3icr h THR 98 CO -0.02 0.55 -2.13 0.35 0.37 0.00 0.00 175.52 174.64 3icr n THR 99 N -4.30 0.73 -0.81 3.16 -2.24 -1.14 -4.99 114.28 104.68 3icr n THR 99 Ca -0.09 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3icr n THR 99 Cb 0.58 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3icr n THR 99 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3icr n ASN 100 N -2.53 0.00 -4.78 3.42 3.02 0.18 -5.04 115.26 109.52 3icr n ASN 100 Ca -0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.01 3icr n ASN 100 Cb 0.86 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.98 3icr n ASN 100 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3icr s GLU 101 N -0.10 4.33 0.26 3.52 -1.05 -1.25 -4.74 118.70 119.66 3icr s GLU 101 Ca 0.00 1.45 0.10 0.00 -0.15 0.00 0.00 54.97 56.37 3icr s GLU 101 Cb 0.00 -2.65 -0.04 0.00 -0.44 0.00 0.00 34.13 31.00 3icr s GLU 101 CO 0.00 0.02 -0.04 0.95 0.95 0.00 0.00 175.26 177.15 3icr s THR 102 N -1.64 3.32 0.14 1.83 -4.23 -1.26 -0.17 115.64 113.62 3icr s THR 102 Ca 0.55 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 3icr s THR 102 Cb -0.21 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.89 3icr s THR 102 CO 0.26 -0.34 0.33 -0.72 -0.54 0.00 0.00 174.62 173.61 3icr s TYR 103 N -2.26 0.06 -0.05 3.99 -0.85 0.00 -4.98 117.35 113.26 3icr s TYR 103 Ca 0.30 -0.42 -0.03 0.00 -0.52 0.00 0.00 57.07 56.40 3icr s TYR 103 Cb -0.07 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 3icr s TYR 103 CO 0.19 -0.69 0.10 -0.80 -1.52 0.00 0.00 175.55 172.83 3icr s ASN 104 N -2.87 5.94 -0.08 -0.18 0.01 -1.26 -0.36 114.94 116.14 3icr s ASN 104 Ca 0.08 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 3icr s ASN 104 Cb 0.03 -1.80 0.02 0.00 0.41 0.00 0.00 41.25 39.91 3icr s ASN 104 CO -0.07 0.33 -0.06 -0.70 -1.51 0.00 0.00 177.10 175.08 3icr s GLU 105 N -1.42 1.25 0.54 -0.60 2.56 0.96 -4.95 118.70 117.03 3icr s GLU 105 Ca 0.20 -0.19 -0.16 0.00 0.00 0.00 0.00 54.97 54.82 3icr s GLU 105 Cb -0.12 -1.28 -0.07 0.00 2.00 0.00 0.00 34.13 34.66 3icr s GLU 105 CO 0.10 -0.18 1.00 0.00 -0.56 0.00 0.00 175.26 175.62 3icr s ALA 106 N 1.39 3.00 -0.00 6.30 0.00 -1.26 -0.10 121.76 131.10 3icr s ALA 106 Ca -0.02 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 3icr s ALA 106 Cb -0.13 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 3icr s ALA 106 CO -0.04 -0.38 0.04 1.52 0.00 0.00 0.00 175.76 176.90 3icr s TYR 107 N -2.63 0.08 -0.14 0.00 1.13 -0.66 -4.91 117.35 110.22 3icr s TYR 107 Ca 0.60 -0.16 -0.23 0.00 -1.41 0.00 0.00 57.07 55.86 3icr s TYR 107 Cb -0.11 -0.07 -0.25 0.00 -1.10 0.00 0.00 41.96 40.42 3icr s TYR 107 CO 0.34 -0.14 0.59 -0.44 -2.51 0.00 0.00 175.55 173.39 3icr h ASP 108 N 5.19 0.15 -3.68 -0.18 3.32 -1.32 -3.46 116.42 116.45 3icr h ASP 108 Ca -0.28 -0.83 -0.51 0.00 0.02 0.00 0.00 57.03 55.43 3icr h ASP 108 Cb 1.21 -0.05 -0.32 0.00 0.22 0.00 0.00 39.33 40.38 3icr h ASP 108 CO 0.44 1.33 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.78 3icr s VAL 109 N -2.35 1.15 -0.09 -1.35 1.01 -0.84 -4.89 120.40 113.04 3icr s VAL 109 Ca -0.21 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3icr s VAL 109 Cb 0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3icr s VAL 109 CO 0.70 0.35 -0.11 -0.22 0.00 0.00 0.00 175.10 175.82 3icr s LEU 110 N 0.34 2.91 -0.15 3.92 2.96 -0.22 -0.81 118.68 127.62 3icr s LEU 110 Ca -0.08 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3icr s LEU 110 Cb -0.13 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 44.96 3icr s LEU 110 CO 0.02 0.28 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.58 3icr s ILE 111 N -0.30 1.48 -0.33 6.68 1.01 0.07 0.18 121.20 129.99 3icr s ILE 111 Ca 0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 3icr s ILE 111 Cb -0.13 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3icr s ILE 111 CO 0.03 0.37 0.23 -0.76 0.00 0.00 0.00 174.94 174.81 3icr s LEU 112 N 1.51 4.41 -0.46 2.97 1.43 0.71 -0.11 118.68 129.14 3icr s LEU 112 Ca 0.04 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.89 3icr s LEU 112 Cb -0.14 -2.14 0.33 0.00 0.03 0.00 0.00 46.19 44.28 3icr s LEU 112 CO -0.10 -0.20 0.80 -0.24 0.23 0.00 0.00 176.35 176.84 3icr n SER 113 N 5.10 2.29 -0.04 2.29 2.88 0.37 -1.36 113.62 125.15 3icr n SER 113 Ca -0.13 -3.26 0.15 0.00 -1.33 0.00 0.00 58.87 54.30 3icr n SER 113 Cb 0.50 -0.60 0.74 0.00 -0.75 0.00 0.00 64.21 64.10 3icr n SER 113 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3icr n PRO 114 N 0.19 0.61 0.00 -1.46 -0.04 -1.25 -4.41 135.00 128.64 3icr n PRO 114 Ca 0.27 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3icr n PRO 114 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3icr n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3icr n GLY 115 N 1.24 -0.48 3.06 0.55 0.00 -1.26 -4.73 105.19 103.58 3icr n GLY 115 Ca 0.16 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 3icr n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icr s ALA 116 N -1.11 0.47 0.24 4.61 0.00 -1.26 -1.15 121.76 123.56 3icr s ALA 116 Ca 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.09 3icr s ALA 116 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3icr s ALA 116 CO 0.00 -0.23 -0.07 -1.59 0.00 0.00 0.00 175.76 173.87 3icr s LYS 117 N -2.78 2.12 0.43 0.00 -2.85 -0.23 -4.86 119.74 111.56 3icr s LYS 117 Ca -0.02 -1.43 -0.26 0.00 -1.00 0.00 0.00 55.97 53.26 3icr s LYS 117 Cb -0.01 -2.09 -0.09 0.00 -2.06 0.00 0.00 37.83 33.58 3icr s LYS 117 CO -0.05 0.38 1.44 -2.14 0.10 0.00 0.00 175.35 175.08 3icr s PRO 118 N -3.39 3.81 -0.11 1.78 0.02 -1.26 -0.84 135.00 135.01 3icr s PRO 118 Ca 0.29 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 3icr s PRO 118 Cb -0.07 -2.74 -0.02 0.00 0.02 0.00 0.00 34.50 31.69 3icr s PRO 118 CO 0.18 -0.73 1.15 0.42 -0.33 0.00 0.00 177.00 177.68 3icr s ILE 119 N -1.18 4.43 -0.28 2.83 1.01 -0.51 -4.74 121.20 122.76 3icr s ILE 119 Ca 0.59 1.73 -0.02 0.00 0.00 0.00 0.00 60.65 62.94 3icr s ILE 119 Cb -0.44 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 37.95 3icr s ILE 119 CO 0.58 -0.05 -0.01 -0.69 0.00 0.00 0.00 174.94 174.77 3icr s VAL 120 N 2.55 3.07 0.70 2.92 1.01 -1.26 -4.63 120.40 124.76 3icr s VAL 120 Ca 0.52 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 3icr s VAL 120 Cb -0.21 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3icr s VAL 120 CO 0.18 0.03 1.09 -2.16 0.00 0.00 0.00 175.10 174.23 3icr s PRO 121 N 1.31 2.93 -1.06 2.72 0.04 -1.26 -4.98 135.00 134.70 3icr s PRO 121 Ca -0.02 0.51 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 3icr s PRO 121 Cb -0.18 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.47 3icr s PRO 121 CO -0.02 -1.00 1.29 -1.12 0.04 0.00 0.00 177.00 176.19 3icr s SER 122 N -4.31 6.81 -0.27 6.66 0.01 -1.26 -4.99 113.70 116.35 3icr s SER 122 Ca 0.58 -2.41 -0.11 0.00 1.31 0.00 0.00 55.95 55.32 3icr s SER 122 Cb -0.11 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 3icr s SER 122 CO 0.52 -0.96 0.18 -0.63 0.41 0.00 0.00 173.24 172.76 3icr s ILE 123 N 2.42 5.26 -0.12 1.44 1.01 -1.26 -5.05 121.20 124.91 3icr s ILE 123 Ca 0.38 0.15 -0.39 0.00 0.00 0.00 0.00 60.65 60.80 3icr s ILE 123 Cb -0.03 -3.50 -0.16 0.00 0.01 0.00 0.00 42.46 38.78 3icr s ILE 123 CO -0.05 0.27 1.58 -2.65 0.00 0.00 0.00 174.94 174.09 3icr n PRO 124 N 4.93 1.18 -0.28 2.79 -0.02 -1.26 -0.68 135.00 141.66 3icr n PRO 124 Ca -0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3icr n PRO 124 Cb 0.52 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3icr n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3icr n GLY 125 N 3.49 0.67 0.28 -1.23 0.00 -1.26 -0.67 105.19 106.46 3icr n GLY 125 Ca 0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.40 3icr n GLY 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3icr h ILE 126 N 0.00 0.39 0.00 -0.61 2.10 -1.19 -2.35 117.51 115.84 3icr h ILE 126 Ca 0.00 -0.44 -0.08 0.00 1.08 0.00 0.00 64.86 65.42 3icr h ILE 126 Cb 0.00 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 3icr h ILE 126 CO 0.00 0.08 -0.38 -0.33 -1.08 0.00 0.00 178.15 176.45 3icr h GLU 127 N 0.00 0.00 -0.14 2.19 3.07 -1.92 -3.13 114.58 114.64 3icr h GLU 127 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3icr h GLU 127 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3icr h GLU 127 CO 0.01 0.38 0.00 0.39 -1.40 0.00 0.00 179.01 178.39 3icr n GLU 128 N -3.50 2.03 -2.54 2.33 1.02 -0.90 -4.87 120.64 114.21 3icr n GLU 128 Ca -0.00 -1.88 -0.41 0.00 -0.02 0.00 0.00 57.16 54.85 3icr n GLU 128 Cb 0.52 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 3icr n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3icr s ALA 129 N -1.58 2.97 0.32 0.62 0.00 -1.12 -4.38 121.76 118.58 3icr s ALA 129 Ca 0.28 -2.58 0.10 0.00 0.00 0.00 0.00 51.96 49.75 3icr s ALA 129 Cb 0.18 -4.60 0.92 0.00 0.00 0.00 0.00 23.12 19.62 3icr s ALA 129 CO 0.26 -3.55 1.69 0.87 0.00 0.00 0.00 175.76 175.03 3icr h LYS 130 N 8.66 0.39 -0.44 0.00 1.57 -1.86 -2.40 116.57 122.49 3icr h LYS 130 Ca 0.33 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.85 3icr h LYS 130 Cb 0.93 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.01 3icr h LYS 130 CO 1.43 0.26 -0.04 0.00 -0.57 0.00 0.00 179.45 180.53 3icr n ALA 131 N -2.38 4.54 -2.68 3.86 0.00 -1.26 -4.94 120.51 117.65 3icr n ALA 131 Ca 0.27 -3.18 -0.37 0.00 0.00 0.00 0.00 53.44 50.16 3icr n ALA 131 Cb 0.82 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 3icr n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3icr s LEU 132 N -3.30 4.15 0.02 0.00 1.98 -0.90 0.08 118.68 120.72 3icr s LEU 132 Ca 0.47 0.35 0.04 0.00 -2.89 0.00 0.00 54.13 52.10 3icr s LEU 132 Cb 0.42 -2.32 -0.02 0.00 0.66 0.00 0.00 46.19 44.93 3icr s LEU 132 CO 0.00 0.01 -0.13 -0.36 -1.89 0.00 0.00 176.35 173.98 3icr s PHE 133 N 1.05 1.17 0.26 5.38 0.40 0.04 -4.96 117.98 121.33 3icr s PHE 133 Ca 0.14 -0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.24 3icr s PHE 133 Cb -0.14 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.64 3icr s PHE 133 CO 0.06 0.01 0.13 0.95 0.70 0.00 0.00 175.22 177.07 3icr s THR 134 N -0.68 4.01 -0.21 0.64 -4.23 -1.26 -1.06 115.64 112.84 3icr s THR 134 Ca 0.02 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3icr s THR 134 Cb -0.07 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.64 3icr s THR 134 CO 0.01 -0.35 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.46 3icr s LEU 135 N -3.79 2.28 0.04 4.79 2.96 -1.26 -4.85 118.68 118.84 3icr s LEU 135 Ca 0.33 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 3icr s LEU 135 Cb -0.07 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.51 3icr s LEU 135 CO 0.23 -0.22 0.00 -1.14 -1.32 0.00 0.00 176.35 173.90 3icr n ARG 136 N 4.73 0.00 -3.18 1.98 0.63 -1.26 -4.96 116.66 114.59 3icr n ARG 136 Ca -0.12 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.67 3icr n ARG 136 Cb 0.45 -0.21 -0.03 0.00 0.45 0.00 0.00 32.46 33.12 3icr n ARG 136 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3icr n ASN 137 N -2.84 2.23 -0.05 6.15 0.23 -1.26 -4.88 115.26 114.84 3icr n ASN 137 Ca 0.00 -2.01 -0.12 0.00 -0.53 0.00 0.00 54.58 51.92 3icr n ASN 137 Cb 0.18 0.24 -0.07 0.00 -2.08 0.00 0.00 39.78 38.05 3icr n ASN 137 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3icr h VAL 138 N 1.17 1.31 -0.64 3.53 2.07 -1.99 -2.35 116.25 119.36 3icr h VAL 138 Ca -0.18 -1.08 0.13 0.00 0.82 0.00 0.00 66.70 66.39 3icr h VAL 138 Cb 0.57 1.75 -0.11 0.00 -1.52 0.00 0.00 31.29 31.99 3icr h VAL 138 CO 0.29 0.31 0.02 -0.65 0.02 0.00 0.00 177.57 177.57 3icr h PRO 139 N -0.07 0.13 -0.52 1.57 0.11 -1.99 0.20 132.00 131.44 3icr h PRO 139 Ca 0.03 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.23 3icr h PRO 139 Cb 0.52 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 31.51 3icr h PRO 139 CO 0.02 0.09 -0.00 -0.44 -0.21 0.00 0.00 178.00 177.45 3icr h ASP 140 N 0.13 -0.23 -0.34 -2.05 3.32 -1.88 0.04 116.42 115.41 3icr h ASP 140 Ca 0.34 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.51 3icr h ASP 140 Cb 0.55 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 3icr h ASP 140 CO -0.53 -0.08 0.20 0.74 -1.72 0.00 0.00 179.24 177.84 3icr h THR 141 N 0.11 1.12 -0.93 0.35 2.02 -0.70 -1.32 112.91 113.57 3icr h THR 141 Ca 0.26 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3icr h THR 141 Cb 0.41 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 3icr h THR 141 CO -0.44 0.12 0.60 0.44 0.37 0.00 0.00 175.52 176.60 3icr h ASP 142 N 0.43 1.08 -0.47 4.18 3.32 -0.15 -1.12 116.42 123.69 3icr h ASP 142 Ca 0.12 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3icr h ASP 142 Cb 0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3icr h ASP 142 CO -0.02 0.80 0.13 0.03 -1.72 0.00 0.00 179.24 178.47 3icr h ARG 143 N 1.27 0.75 0.12 3.56 3.08 -0.74 0.32 114.38 122.73 3icr h ARG 143 Ca 0.34 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3icr h ARG 143 Cb -0.11 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.83 3icr h ARG 143 CO -0.07 0.72 -0.06 0.82 -1.07 0.00 0.00 179.97 180.31 3icr h ILE 144 N 0.64 0.98 -0.98 2.04 2.04 -1.01 -0.96 117.51 120.26 3icr h ILE 144 Ca 0.15 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.68 3icr h ILE 144 Cb 0.29 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 3icr h ILE 144 CO -0.00 0.10 0.63 0.50 0.00 0.00 0.00 178.15 179.37 3icr h LYS 145 N -0.34 1.12 -0.64 2.37 3.64 -1.16 -1.61 116.57 119.96 3icr h LYS 145 Ca -0.02 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3icr h LYS 145 Cb 0.28 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3icr h LYS 145 CO 0.03 0.74 0.22 0.00 -2.27 0.00 0.00 179.45 178.17 3icr h ALA 146 N 1.44 0.83 -0.36 5.00 0.00 -0.77 -1.26 119.26 124.13 3icr h ALA 146 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3icr h ALA 146 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3icr h ALA 146 CO -0.17 0.48 0.23 -0.92 0.00 0.00 0.00 179.25 178.88 3icr h TYR 147 N 0.91 0.46 -0.55 0.00 3.20 -0.64 -0.26 116.97 120.09 3icr h TYR 147 Ca 0.21 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3icr h TYR 147 Cb 0.26 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3icr h TYR 147 CO 0.02 0.31 0.34 0.82 -1.64 0.00 0.00 178.16 178.01 3icr h ILE 148 N 0.48 1.09 -0.21 1.81 2.04 -1.10 -0.18 117.51 121.44 3icr h ILE 148 Ca 0.13 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3icr h ILE 148 Cb -0.03 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3icr h ILE 148 CO -0.03 0.12 0.01 0.44 0.00 0.00 0.00 178.15 178.69 3icr h ASP 149 N 0.68 0.36 0.08 1.72 3.32 -0.99 -0.39 116.42 121.20 3icr h ASP 149 Ca 0.21 -0.30 -0.25 0.00 0.02 0.00 0.00 57.03 56.71 3icr h ASP 149 Cb -0.01 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.46 3icr h ASP 149 CO -0.08 0.57 -1.00 -0.33 -1.72 0.00 0.00 179.24 176.67 3icr h GLU 150 N 0.13 0.63 0.00 3.56 3.07 -0.96 -3.35 114.58 117.68 3icr h GLU 150 Ca 0.06 -0.67 0.00 0.00 -0.50 0.00 0.00 59.36 58.25 3icr h GLU 150 Cb 0.38 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3icr h GLU 150 CO 0.01 1.27 -0.99 1.63 -1.40 0.00 0.00 179.01 179.53 3icr n LYS 151 N -3.83 1.07 -3.77 2.33 4.76 -0.09 -5.04 118.16 113.59 3icr n LYS 151 Ca -0.10 -0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 55.03 3icr n LYS 151 Cb 0.86 -1.35 0.01 0.00 -1.84 0.00 0.00 35.03 32.72 3icr n LYS 151 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3icr n LYS 152 N -1.53 -1.12 -1.90 1.97 5.02 -0.16 -4.84 118.16 115.61 3icr n LYS 152 Ca 0.02 0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 3icr n LYS 152 Cb 0.31 -3.05 -0.02 0.00 -0.02 0.00 0.00 35.03 32.25 3icr n LYS 152 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3icr s PRO 153 N -5.56 4.19 0.03 1.97 0.04 -1.26 -4.91 135.00 129.50 3icr s PRO 153 Ca 0.21 2.44 0.06 0.00 0.04 0.00 0.00 61.00 63.75 3icr s PRO 153 Cb -0.10 -3.05 -0.24 0.00 0.04 0.00 0.00 34.50 31.15 3icr s PRO 153 CO 0.89 -0.51 0.96 -0.09 0.04 0.00 0.00 177.00 178.30 3icr h ARG 154 N 4.63 0.08 -3.81 4.56 2.43 -1.94 -3.45 114.38 116.88 3icr h ARG 154 Ca -0.47 -0.13 -0.26 0.00 -0.81 0.00 0.00 59.98 58.31 3icr h ARG 154 Cb 1.22 0.05 -0.29 0.00 -0.42 0.00 0.00 29.97 30.53 3icr h ARG 154 CO 0.76 0.88 -0.73 -1.58 -1.51 0.00 0.00 179.97 177.80 3icr s HIS 155 N -2.65 0.10 0.04 2.20 5.04 -1.26 -1.31 115.29 117.45 3icr s HIS 155 Ca -0.04 -0.00 0.07 0.00 -1.54 0.00 0.00 55.06 53.55 3icr s HIS 155 Cb 0.08 -0.10 -0.02 0.00 0.04 0.00 0.00 32.58 32.58 3icr s HIS 155 CO 0.83 -0.02 -0.21 0.00 -2.34 0.00 0.00 174.74 173.00 3icr s ALA 156 N 0.13 1.78 -0.21 1.58 0.00 0.79 -0.74 121.76 125.09 3icr s ALA 156 Ca -0.01 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 3icr s ALA 156 Cb -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3icr s ALA 156 CO -0.00 0.40 -0.01 0.99 0.00 0.00 0.00 175.76 177.14 3icr s THR 157 N -0.78 3.79 -0.25 0.00 2.01 -1.26 -1.53 115.64 117.61 3icr s THR 157 Ca 0.08 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 3icr s THR 157 Cb -0.09 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 3icr s THR 157 CO 0.02 0.42 0.08 -0.69 -0.69 0.00 0.00 174.62 173.76 3icr s VAL 158 N 1.14 4.41 -0.38 3.82 1.01 0.05 0.03 120.40 130.50 3icr s VAL 158 Ca 0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 3icr s VAL 158 Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3icr s VAL 158 CO 0.01 0.33 0.31 -0.63 0.00 0.00 0.00 175.10 175.12 3icr s ILE 159 N 1.60 5.23 0.00 2.22 1.01 0.16 -0.13 121.20 131.30 3icr s ILE 159 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3icr s ILE 159 Cb -0.15 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3icr s ILE 159 CO 0.04 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.41 3icr n GLY 160 N 5.10 1.98 1.75 6.18 0.00 0.01 -0.01 105.19 120.21 3icr n GLY 160 Ca -0.11 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 3icr n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 161 N 2.15 5.37 2.37 -0.02 0.00 -1.26 -4.31 105.19 109.49 3icr n GLY 161 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 3icr n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 162 N -1.00 -2.34 0.34 -0.02 0.00 -1.26 -4.62 105.19 96.30 3icr n GLY 162 Ca 0.46 -1.53 0.06 0.00 0.00 0.00 0.00 46.02 45.00 3icr n GLY 162 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3icr h PHE 163 N -2.11 0.73 0.04 1.61 0.05 -1.96 -1.14 116.94 114.16 3icr h PHE 163 Ca -0.27 0.02 -0.15 0.00 3.82 0.00 0.00 57.97 61.38 3icr h PHE 163 Cb 0.82 -0.24 0.01 0.00 2.00 0.00 0.00 35.95 38.54 3icr h PHE 163 CO 0.00 0.41 -0.61 0.82 -0.18 0.00 0.00 178.31 178.75 3icr h ILE 164 N 0.74 1.47 -0.56 -0.55 2.04 -1.94 -2.31 117.51 116.40 3icr h ILE 164 Ca 0.28 -2.19 0.09 0.00 1.00 0.00 0.00 64.86 64.04 3icr h ILE 164 Cb 0.17 2.79 -0.07 0.00 -0.74 0.00 0.00 36.82 38.97 3icr h ILE 164 CO -0.08 0.63 0.14 1.23 0.00 0.00 0.00 178.15 180.07 3icr h GLY 165 N -0.24 0.72 1.17 5.37 0.00 -1.62 -2.31 103.07 106.16 3icr h GLY 165 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3icr h GLY 165 CO 0.12 -0.07 0.27 -2.08 0.00 0.00 0.00 176.54 174.78 3icr h VAL 166 N 0.29 1.24 0.00 4.60 2.07 -1.26 0.46 116.25 123.66 3icr h VAL 166 Ca 0.28 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3icr h VAL 166 Cb 0.38 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3icr h VAL 166 CO -0.34 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 176.95 3icr n GLU 167 N -4.29 0.06 0.00 1.57 1.02 -0.87 -1.69 120.64 116.45 3icr n GLU 167 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3icr n GLU 167 Cb 0.19 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3icr n GLU 167 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3icr n VAL 169 N 0.57 0.00 0.07 2.62 0.31 0.15 -1.41 118.33 120.64 3icr n VAL 169 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3icr n VAL 169 Cb 0.02 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.89 3icr n VAL 169 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3icr h GLU 170 N 0.00 -0.23 -0.04 5.55 4.81 -1.61 0.15 114.58 123.20 3icr h GLU 170 Ca 0.00 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3icr h GLU 170 Cb 0.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3icr h GLU 170 CO 0.00 -0.16 -0.29 -0.91 -0.73 0.00 0.00 179.01 176.93 3icr h ASN 171 N -0.24 0.08 -0.01 1.04 2.35 -1.51 0.10 115.58 117.39 3icr h ASN 171 Ca 0.03 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 3icr h ASN 171 Cb 0.28 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.64 3icr h ASN 171 CO -0.09 0.37 -0.67 -0.07 -1.65 0.00 0.00 177.43 175.32 3icr h LEU 172 N 0.07 0.60 -0.33 1.61 3.38 -1.77 -3.19 115.31 115.67 3icr h LEU 172 Ca 0.01 -0.75 0.04 0.00 0.09 0.00 0.00 57.88 57.27 3icr h LEU 172 Cb 0.55 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3icr h LEU 172 CO 0.04 1.27 0.12 0.03 0.09 0.00 0.00 178.44 179.99 3icr h ARG 173 N -0.01 0.26 0.00 1.13 2.47 -0.40 -1.94 114.38 115.88 3icr h ARG 173 Ca -0.08 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3icr h ARG 173 Cb 1.36 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 3icr h ARG 173 CO 0.13 0.17 0.00 0.39 0.56 0.00 0.00 179.97 181.22 3icr n GLU 174 N -5.01 0.06 0.00 0.04 -0.58 0.30 -0.57 120.64 114.87 3icr n GLU 174 Ca 0.00 0.37 0.15 0.00 -0.42 0.00 0.00 57.16 57.26 3icr n GLU 174 Cb 0.11 -1.64 0.69 0.00 -0.57 0.00 0.00 31.44 30.04 3icr n GLU 174 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3icr n ARG 175 N -1.76 1.11 -0.64 3.49 1.74 -0.76 -4.91 116.66 114.93 3icr n ARG 175 Ca 0.02 -0.40 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 3icr n ARG 175 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3icr n ARG 175 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3icr n GLY 176 N 1.15 0.73 3.73 -0.13 0.00 0.26 -5.05 105.19 105.88 3icr n GLY 176 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3icr n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3icr s ILE 177 N -2.50 4.83 0.36 -0.61 1.01 -1.04 -5.00 121.20 118.25 3icr s ILE 177 Ca 0.00 1.73 -0.28 0.00 0.00 0.00 0.00 60.65 62.10 3icr s ILE 177 Cb 0.00 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 3icr s ILE 177 CO 0.00 0.28 1.30 -1.61 0.00 0.00 0.00 174.94 174.91 3icr s GLU 178 N 0.45 4.23 -0.05 2.79 0.41 -0.43 -3.87 118.70 122.22 3icr s GLU 178 Ca 0.42 2.18 0.02 0.00 -0.41 0.00 0.00 54.97 57.19 3icr s GLU 178 Cb -0.20 -2.96 0.01 0.00 -1.78 0.00 0.00 34.13 29.20 3icr s GLU 178 CO 0.24 -0.29 -0.09 0.08 -0.49 0.00 0.00 175.26 174.71 3icr s VAL 179 N -1.19 0.86 -0.18 2.63 1.01 -1.26 -0.15 120.40 122.12 3icr s VAL 179 Ca 0.52 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3icr s VAL 179 Cb -0.39 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3icr s VAL 179 CO 0.51 0.28 -0.08 -0.89 0.00 0.00 0.00 175.10 174.92 3icr s THR 180 N 0.60 3.23 -0.24 3.92 2.01 -0.58 -1.40 115.64 123.16 3icr s THR 180 Ca -0.10 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.22 3icr s THR 180 Cb -0.13 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 3icr s THR 180 CO 0.02 0.47 0.18 -0.22 -0.69 0.00 0.00 174.62 174.38 3icr s LEU 181 N 0.94 4.10 -0.20 4.42 2.96 0.24 -0.77 118.68 130.38 3icr s LEU 181 Ca -0.01 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3icr s LEU 181 Cb -0.15 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 3icr s LEU 181 CO 0.00 0.04 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.36 3icr s VAL 182 N 1.19 3.81 0.00 1.68 1.01 0.82 -0.99 120.40 127.92 3icr s VAL 182 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3icr s VAL 182 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3icr s VAL 182 CO 0.06 0.44 0.00 1.21 0.00 0.00 0.00 175.10 176.80 3icr n GLU 183 N 4.24 1.02 0.00 2.72 4.07 0.05 -0.81 120.64 131.93 3icr n GLU 183 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 3icr n GLU 183 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 3icr n GLU 183 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3icr n ALA 185 N -3.00 -0.84 0.86 4.31 0.00 -1.26 -1.12 120.51 119.47 3icr n ALA 185 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3icr n ALA 185 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 3icr n ALA 185 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3icr n ASN 186 N 0.00 1.90 -3.62 0.00 0.23 -1.26 -1.38 115.26 111.13 3icr n ASN 186 Ca 0.00 -2.08 -0.11 0.00 -0.53 0.00 0.00 54.58 51.85 3icr n ASN 186 Cb 0.00 -0.28 -0.05 0.00 -2.08 0.00 0.00 39.78 37.37 3icr n ASN 186 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3icr s GLN 187 N -1.62 1.05 -0.54 -3.83 -2.07 -1.26 -4.95 119.66 106.44 3icr s GLN 187 Ca 0.21 -0.58 -0.28 0.00 -1.82 0.00 0.00 55.36 52.89 3icr s GLN 187 Cb 0.12 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.52 3icr s GLN 187 CO 0.12 -0.40 1.32 0.14 -1.32 0.00 0.00 175.29 175.15 3icr s VAL 188 N -3.40 3.91 -0.13 3.63 -7.23 -1.26 -4.93 120.40 110.98 3icr s VAL 188 Ca 0.00 0.83 0.02 0.00 -1.81 0.00 0.00 61.98 61.02 3icr s VAL 188 Cb 0.01 -4.52 -0.10 0.00 0.56 0.00 0.00 36.38 32.34 3icr s VAL 188 CO -0.09 -1.16 -0.10 -2.65 -0.31 0.00 0.00 175.10 170.79 3icr n PRO 190 N 8.45 0.61 0.31 4.82 -0.02 -1.26 -4.85 135.00 143.06 3icr n PRO 190 Ca 0.12 0.07 0.18 0.00 -2.02 0.00 0.00 63.50 61.85 3icr n PRO 190 Cb 0.49 -1.27 0.99 0.00 -0.02 0.00 0.00 33.50 33.68 3icr n PRO 190 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3icr h PRO 191 N 0.00 0.00 -6.21 0.52 0.11 -2.01 -3.43 132.00 120.98 3icr h PRO 191 Ca -0.30 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.34 3icr h PRO 191 Cb 1.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.60 3icr h PRO 191 CO -0.04 0.02 -0.42 0.96 -0.21 0.00 0.00 178.00 178.32 3icr s ILE 192 N -4.23 5.25 0.60 4.15 -4.36 -1.26 -4.64 121.20 116.70 3icr s ILE 192 Ca -0.04 -0.96 -0.08 0.00 -0.26 0.00 0.00 60.65 59.32 3icr s ILE 192 Cb 0.13 -3.86 -0.00 0.00 1.25 0.00 0.00 42.46 39.98 3icr s ILE 192 CO 0.50 -0.34 0.94 -1.81 0.24 0.00 0.00 174.94 174.47 3icr s ASP 193 N -3.97 5.76 0.15 4.36 1.01 -1.26 -4.84 116.67 117.87 3icr s ASP 193 Ca 0.34 0.94 -0.18 0.00 0.71 0.00 0.00 52.55 54.36 3icr s ASP 193 Cb -0.09 -1.95 0.04 0.00 1.01 0.00 0.00 42.92 41.93 3icr s ASP 193 CO 0.29 -1.01 1.71 0.22 0.21 0.00 0.00 175.17 176.60 3icr h TYR 194 N -0.23 0.01 0.00 4.23 3.20 -1.96 0.33 116.97 122.55 3icr h TYR 194 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3icr h TYR 194 Cb 1.24 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3icr h TYR 194 CO 0.52 -0.03 0.00 -0.85 -1.64 0.00 0.00 178.16 176.16 3icr n GLU 195 N -5.15 0.34 0.00 1.82 0.00 -1.26 -1.40 120.64 114.99 3icr n GLU 195 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3icr n GLU 195 Cb 0.15 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 30.26 3icr n GLU 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3icr n ALA 197 N 0.84 0.00 -0.36 -1.84 0.00 0.11 -3.99 120.51 115.27 3icr n ALA 197 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3icr n ALA 197 Cb 0.17 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.89 3icr n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3icr h ALA 198 N 0.00 1.58 -0.54 0.00 0.00 -1.49 0.15 119.26 118.96 3icr h ALA 198 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3icr h ALA 198 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3icr h ALA 198 CO 0.00 0.11 0.07 1.88 0.00 0.00 0.00 179.25 181.32 3icr h TYR 199 N 0.90 0.96 -0.16 0.00 -1.99 -1.87 -2.51 116.97 112.30 3icr h TYR 199 Ca 0.53 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 61.12 3icr h TYR 199 Cb 0.66 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 3icr h TYR 199 CO -0.00 0.86 0.08 0.28 -0.00 0.00 0.00 178.16 179.38 3icr h VAL 200 N 0.78 1.11 -0.47 -2.88 2.07 -1.40 -2.35 116.25 113.10 3icr h VAL 200 Ca 0.16 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.44 3icr h VAL 200 Cb 0.43 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3icr h VAL 200 CO 0.01 0.10 0.18 0.45 0.02 0.00 0.00 177.57 178.33 3icr h HIS 201 N 0.15 0.32 -0.57 1.57 3.86 -0.77 -1.67 115.15 118.04 3icr h HIS 201 Ca 0.06 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3icr h HIS 201 Cb 0.09 -0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 3icr h HIS 201 CO -0.04 0.12 0.30 1.49 0.86 0.00 0.00 177.93 180.66 3icr h GLU 202 N 0.36 0.55 -0.86 2.45 4.81 -1.37 -0.01 114.58 120.52 3icr h GLU 202 Ca 0.22 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3icr h GLU 202 Cb 0.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3icr h GLU 202 CO -0.22 0.37 0.00 1.58 -0.73 0.00 0.00 179.01 180.01 3icr n HIS 203 N -4.85 0.00 0.00 0.92 -0.00 -0.63 -1.20 115.22 109.46 3icr n HIS 203 Ca 0.06 -0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3icr n HIS 203 Cb 0.15 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 3icr n HIS 203 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3icr n LYS 205 N 0.54 0.00 0.29 1.57 5.02 -0.02 -2.15 118.16 123.41 3icr n LYS 205 Ca 0.00 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.48 3icr n LYS 205 Cb 0.11 0.00 0.96 0.00 -0.02 0.00 0.00 35.03 36.08 3icr n LYS 205 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3icr h ASN 206 N 0.00 0.00 -0.56 4.39 2.35 -1.40 0.12 115.58 120.48 3icr h ASN 206 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3icr h ASN 206 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3icr h ASN 206 CO 0.00 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.19 3icr n HIS 207 N -2.92 1.71 -1.89 1.19 8.25 -0.92 -4.97 115.22 115.69 3icr n HIS 207 Ca -0.02 -0.71 -0.12 0.00 -0.26 0.00 0.00 57.72 56.62 3icr n HIS 207 Cb 0.13 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 3icr n HIS 207 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3icr n ASP 208 N 0.64 -4.09 -4.74 0.41 9.92 0.03 -5.01 116.55 113.71 3icr n ASP 208 Ca 0.26 0.11 -0.40 0.00 -0.53 0.00 0.00 54.79 54.23 3icr n ASP 208 Cb 1.05 -3.05 -0.05 0.00 -0.64 0.00 0.00 41.12 38.43 3icr n ASP 208 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3icr s VAL 209 N -2.54 4.67 -0.20 2.53 1.01 -1.26 -4.61 120.40 120.00 3icr s VAL 209 Ca 0.00 1.75 -0.26 0.00 0.00 0.00 0.00 61.98 63.47 3icr s VAL 209 Cb 0.00 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3icr s VAL 209 CO 0.00 0.35 0.86 -0.70 0.00 0.00 0.00 175.10 175.62 3icr s GLU 210 N -0.05 4.26 -0.20 2.72 2.12 -0.49 -4.31 118.70 122.74 3icr s GLU 210 Ca 0.41 1.05 -0.07 0.00 0.36 0.00 0.00 54.97 56.73 3icr s GLU 210 Cb -0.21 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 3icr s GLU 210 CO 0.25 -0.42 0.04 -0.51 -0.54 0.00 0.00 175.26 174.08 3icr s LEU 211 N 2.49 3.54 -0.24 2.70 1.43 -1.26 -0.59 118.68 126.74 3icr s LEU 211 Ca 0.38 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3icr s LEU 211 Cb -0.16 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.20 3icr s LEU 211 CO 0.10 0.09 -0.11 -0.69 0.23 0.00 0.00 176.35 175.97 3icr s VAL 212 N 0.89 1.98 0.21 -1.59 1.01 -0.16 -4.98 120.40 117.76 3icr s VAL 212 Ca 0.03 -1.41 0.06 0.00 0.00 0.00 0.00 61.98 60.66 3icr s VAL 212 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3icr s VAL 212 CO 0.02 0.05 0.14 -0.36 0.00 0.00 0.00 175.10 174.95 3icr s PHE 213 N 1.21 3.07 -1.43 5.22 0.08 -1.26 -0.77 117.98 124.10 3icr s PHE 213 Ca -0.06 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 3icr s PHE 213 Cb -0.19 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.85 3icr s PHE 213 CO -0.07 0.53 0.48 0.39 -0.10 0.00 0.00 175.22 176.45 3icr n GLU 214 N -0.70 -3.42 -3.97 0.44 1.02 -0.27 -4.92 120.64 108.81 3icr n GLU 214 Ca -0.08 0.42 -0.09 0.00 -0.02 0.00 0.00 57.16 57.39 3icr n GLU 214 Cb 0.56 -4.63 -0.08 0.00 -0.02 0.00 0.00 31.44 27.27 3icr n GLU 214 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3icr s ASP 215 N -4.25 0.18 0.29 1.62 -1.08 -0.90 -4.90 116.67 107.63 3icr s ASP 215 Ca 0.08 -0.86 -0.10 0.00 -0.52 0.00 0.00 52.55 51.15 3icr s ASP 215 Cb -0.05 0.34 0.01 0.00 -1.46 0.00 0.00 42.92 41.76 3icr s ASP 215 CO 0.89 -0.76 0.52 -0.83 0.52 0.00 0.00 175.17 175.50 3icr s GLY 216 N -2.93 0.78 -0.36 2.66 0.00 -1.26 -4.26 107.32 101.95 3icr s GLY 216 Ca 0.12 -1.04 -0.20 0.00 0.00 0.00 0.00 44.72 43.59 3icr s GLY 216 CO -0.05 -0.69 0.64 0.14 0.00 0.00 0.00 173.10 173.13 3icr s VAL 217 N -3.52 4.88 0.03 1.40 1.01 -1.26 -1.05 120.40 121.88 3icr s VAL 217 Ca 0.24 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.87 3icr s VAL 217 Cb -0.01 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 32.13 3icr s VAL 217 CO 0.13 -0.34 1.21 0.44 0.00 0.00 0.00 175.10 176.54 3icr h ASP 218 N 8.49 0.00 -4.44 3.32 3.32 -0.53 -3.47 116.42 123.11 3icr h ASP 218 Ca -0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3icr h ASP 218 Cb 1.11 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 3icr h ASP 218 CO 0.84 0.87 0.28 0.00 -1.72 0.00 0.00 179.24 179.52 3icr s ALA 219 N -2.76 -1.83 -0.16 3.45 0.00 -1.05 -4.21 121.76 115.21 3icr s ALA 219 Ca 0.01 1.57 -0.03 0.00 0.00 0.00 0.00 51.96 53.50 3icr s ALA 219 Cb 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3icr s ALA 219 CO 0.80 -0.34 -0.05 -0.51 0.00 0.00 0.00 175.76 175.67 3icr s LEU 220 N -0.73 3.17 0.28 0.00 1.43 0.16 -0.86 118.68 122.12 3icr s LEU 220 Ca -0.05 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3icr s LEU 220 Cb -0.02 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 3icr s LEU 220 CO 0.05 0.15 -0.03 -1.61 0.23 0.00 0.00 176.35 175.14 3icr s GLU 221 N 0.46 1.54 -1.54 1.70 2.02 0.10 -4.34 118.70 118.63 3icr s GLU 221 Ca -0.04 -1.79 -0.08 0.00 0.02 0.00 0.00 54.97 53.08 3icr s GLU 221 Cb -0.14 -1.03 0.07 0.00 0.10 0.00 0.00 34.13 33.12 3icr s GLU 221 CO 0.03 -0.02 0.53 0.39 0.02 0.00 0.00 175.26 176.21 3icr n GLU 222 N -0.58 -3.01 -3.20 1.61 -0.58 -1.26 -0.79 120.64 112.82 3icr n GLU 222 Ca -0.05 0.36 -0.19 0.00 -0.42 0.00 0.00 57.16 56.86 3icr n GLU 222 Cb 0.64 -4.67 0.05 0.00 -0.57 0.00 0.00 31.44 26.89 3icr n GLU 222 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3icr n ASN 223 N -2.84 -5.56 0.00 1.62 3.02 -1.26 -2.84 115.26 107.40 3icr n ASN 223 Ca -0.15 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3icr n ASN 223 Cb 0.61 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 3icr n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3icr n GLY 224 N -1.62 1.62 0.14 7.41 0.00 -0.74 -2.82 105.19 109.19 3icr n GLY 224 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 3icr n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icr h ALA 225 N 0.00 1.00 -3.36 4.61 0.00 -1.26 -3.42 119.26 116.83 3icr h ALA 225 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3icr h ALA 225 Cb 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.43 3icr h ALA 225 CO 0.00 0.00 -0.82 0.08 0.00 0.00 0.00 179.25 178.51 3icr s VAL 226 N -3.23 1.74 -0.36 0.00 1.01 0.03 -1.83 120.40 117.76 3icr s VAL 226 Ca 0.07 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3icr s VAL 226 Cb 0.10 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3icr s VAL 226 CO 0.53 0.26 0.20 -0.69 0.00 0.00 0.00 175.10 175.40 3icr s VAL 227 N 1.37 4.65 -0.40 2.92 1.01 0.89 0.00 120.40 130.85 3icr s VAL 227 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 3icr s VAL 227 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.72 3icr s VAL 227 CO -0.09 -0.14 0.71 -0.13 0.00 0.00 0.00 175.10 175.45 3icr s ARG 228 N 1.59 3.52 0.30 2.72 1.81 -0.04 -1.03 118.95 127.82 3icr s ARG 228 Ca 0.03 -0.04 -0.07 0.00 -1.72 0.00 0.00 55.73 53.93 3icr s ARG 228 Cb -0.18 -3.88 -0.06 0.00 -0.45 0.00 0.00 34.95 30.38 3icr s ARG 228 CO 0.07 -0.94 0.60 -0.51 -0.68 0.00 0.00 175.30 173.84 3icr s LEU 229 N 2.99 4.04 0.53 2.53 1.43 -0.45 0.20 118.68 129.96 3icr s LEU 229 Ca 0.27 0.87 0.21 0.00 -1.03 0.00 0.00 54.13 54.45 3icr s LEU 229 Cb -0.13 -3.68 1.43 0.00 0.03 0.00 0.00 46.19 43.83 3icr s LEU 229 CO 0.19 -0.21 2.15 0.11 0.23 0.00 0.00 176.35 178.82 3icr h LYS 230 N 1.81 0.00 0.00 1.70 1.57 -1.39 -1.37 116.57 118.89 3icr h LYS 230 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3icr h LYS 230 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3icr h LYS 230 CO 0.66 0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 178.45 3icr n SER 231 N -4.20 0.71 0.00 0.86 3.41 -1.26 -4.89 113.62 108.25 3icr n SER 231 Ca -0.03 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3icr n SER 231 Cb 0.12 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 3icr n SER 231 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3icr n GLY 232 N 0.50 3.09 3.75 5.00 0.00 -0.52 -5.08 105.19 111.93 3icr n GLY 232 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3icr n GLY 232 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3icr s SER 233 N -1.17 4.91 -0.11 1.61 0.01 -1.26 -4.76 113.70 112.93 3icr s SER 233 Ca 0.00 2.38 0.02 0.00 1.31 0.00 0.00 55.95 59.66 3icr s SER 233 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.65 3icr s SER 233 CO 0.00 -1.78 -0.16 -0.69 0.41 0.00 0.00 173.24 171.02 3icr s VAL 234 N -1.70 1.52 -0.20 3.43 1.01 -1.26 -1.34 120.40 121.86 3icr s VAL 234 Ca 0.77 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 3icr s VAL 234 Cb -0.30 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3icr s VAL 234 CO 0.37 0.44 0.04 -0.63 0.00 0.00 0.00 175.10 175.32 3icr s ILE 235 N 0.93 4.41 -0.20 2.22 1.01 -0.19 -4.94 121.20 124.43 3icr s ILE 235 Ca -0.08 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 3icr s ILE 235 Cb -0.15 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3icr s ILE 235 CO -0.01 0.43 0.56 -1.10 0.00 0.00 0.00 174.94 174.82 3icr s GLN 236 N 0.79 4.19 0.09 2.79 1.11 -1.26 -0.07 119.66 127.30 3icr s GLN 236 Ca 0.02 0.48 -0.05 0.00 0.01 0.00 0.00 55.36 55.82 3icr s GLN 236 Cb -0.14 -3.57 -0.02 0.00 -1.01 0.00 0.00 33.01 28.27 3icr s GLN 236 CO 0.02 -0.19 0.11 -0.08 0.01 0.00 0.00 175.29 175.15 3icr s THR 237 N 1.78 0.15 -0.62 -0.19 -1.32 -0.76 -4.94 115.64 109.73 3icr s THR 237 Ca 0.25 -1.56 0.07 0.00 -1.21 0.00 0.00 61.69 59.25 3icr s THR 237 Cb -0.16 -1.60 0.21 0.00 -1.51 0.00 0.00 72.50 69.45 3icr s THR 237 CO 0.10 -0.68 1.18 0.47 -2.21 0.00 0.00 174.62 173.47 3icr n ASP 238 N -0.03 2.65 -3.76 8.08 8.00 0.08 -4.40 116.55 127.17 3icr n ASP 238 Ca -0.12 -2.02 -0.13 0.00 0.71 0.00 0.00 54.79 53.23 3icr n ASP 238 Cb 0.62 -0.17 -0.11 0.00 -0.02 0.00 0.00 41.12 41.44 3icr n ASP 238 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3icr s LEU 240 N -1.04 0.73 -0.17 0.64 1.02 0.11 -4.83 118.68 115.14 3icr s LEU 240 Ca 0.16 0.63 -0.03 0.00 0.02 0.00 0.00 54.13 54.92 3icr s LEU 240 Cb 0.09 1.05 -0.02 0.00 0.02 0.00 0.00 46.19 47.33 3icr s LEU 240 CO 0.11 -0.12 -0.07 -0.63 0.02 0.00 0.00 176.35 175.66 3icr s ILE 241 N 0.33 3.42 -0.30 -0.59 -1.09 0.11 -0.78 121.20 122.30 3icr s ILE 241 Ca -0.01 -0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 57.77 3icr s ILE 241 Cb -0.03 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 3icr s ILE 241 CO -0.01 0.48 0.29 -0.22 -1.23 0.00 0.00 174.94 174.24 3icr s LEU 242 N 0.79 4.16 -0.39 2.97 2.96 -0.22 -0.67 118.68 128.28 3icr s LEU 242 Ca -0.03 -0.00 0.10 0.00 -0.22 0.00 0.00 54.13 53.98 3icr s LEU 242 Cb -0.15 -2.26 0.31 0.00 0.50 0.00 0.00 46.19 44.59 3icr s LEU 242 CO 0.02 -0.17 0.68 0.00 -1.32 0.00 0.00 176.35 175.56 3icr n ALA 243 N 5.22 1.86 -1.02 5.97 0.00 0.99 -4.44 120.51 129.08 3icr n ALA 243 Ca -0.11 -3.21 0.01 0.00 0.00 0.00 0.00 53.44 50.13 3icr n ALA 243 Cb 0.51 -0.92 0.32 0.00 0.00 0.00 0.00 19.45 19.36 3icr n ALA 243 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3icr n ILE 244 N 0.74 2.74 0.00 0.00 -5.35 -1.24 -4.22 119.36 112.04 3icr n ILE 244 Ca 0.22 -1.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 3icr n ILE 244 Cb 0.61 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3icr n ILE 244 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3icr n GLY 245 N -0.05 1.07 3.31 3.28 0.00 -1.26 -4.84 105.19 106.70 3icr n GLY 245 Ca 0.33 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 3icr n GLY 245 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3icr s VAL 246 N -1.22 1.68 0.02 1.61 -7.23 -1.26 -1.42 120.40 112.58 3icr s VAL 246 Ca 0.00 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 3icr s VAL 246 Cb 0.00 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 3icr s VAL 246 CO 0.00 -0.41 -0.20 0.00 -0.31 0.00 0.00 175.10 174.18 3icr s GLN 247 N -2.98 1.44 0.33 4.82 -2.07 -0.02 -4.85 119.66 116.34 3icr s GLN 247 Ca 0.16 -0.85 -0.29 0.00 -1.82 0.00 0.00 55.36 52.56 3icr s GLN 247 Cb -0.04 -1.49 -0.10 0.00 -1.09 0.00 0.00 33.01 30.28 3icr s GLN 247 CO 0.06 0.39 1.37 -1.25 -1.32 0.00 0.00 175.29 174.54 3icr s PRO 248 N -0.92 4.28 -1.43 9.60 0.04 -1.26 -1.07 135.00 144.24 3icr s PRO 248 Ca 0.07 2.32 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 3icr s PRO 248 Cb -0.08 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.47 3icr s PRO 248 CO 0.01 -0.31 2.15 0.39 0.04 0.00 0.00 177.00 179.28 3icr n GLU 249 N 0.88 2.96 -0.48 4.56 -0.58 -0.30 -4.71 120.64 122.97 3icr n GLU 249 Ca 0.01 -2.75 0.09 0.00 -0.42 0.00 0.00 57.16 54.08 3icr n GLU 249 Cb 0.41 -3.27 0.30 0.00 -0.57 0.00 0.00 31.44 28.31 3icr n GLU 249 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3icr n SER 250 N 6.07 4.19 -0.04 1.62 3.41 -1.26 -4.62 113.62 123.00 3icr n SER 250 Ca 0.50 -2.39 0.01 0.00 -0.26 0.00 0.00 58.87 56.74 3icr n SER 250 Cb 0.39 -0.49 0.34 0.00 -0.26 0.00 0.00 64.21 64.19 3icr n SER 250 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3icr h SER 251 N 3.38 0.56 -0.37 4.04 4.64 -1.93 0.17 113.55 124.04 3icr h SER 251 Ca 0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3icr h SER 251 Cb 1.26 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3icr h SER 251 CO 0.16 0.49 0.18 -0.07 -0.87 0.00 0.00 176.83 176.73 3icr h LEU 252 N 0.62 0.48 -0.13 5.97 4.07 -1.94 0.14 115.31 124.52 3icr h LEU 252 Ca 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 3icr h LEU 252 Cb 0.10 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 3icr h LEU 252 CO -0.02 0.47 -0.01 0.00 -1.08 0.00 0.00 178.44 177.80 3icr h ALA 253 N 1.04 0.18 -0.46 1.53 0.00 -1.77 -1.78 119.26 118.01 3icr h ALA 253 Ca 0.13 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3icr h ALA 253 Cb 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3icr h ALA 253 CO -0.02 -0.11 0.23 -0.22 0.00 0.00 0.00 179.25 179.13 3icr h LYS 254 N -0.04 0.44 0.00 0.00 3.64 -0.91 0.67 116.57 120.37 3icr h LYS 254 Ca 0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3icr h LYS 254 Cb 0.38 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3icr h LYS 254 CO 0.01 0.29 -0.16 0.78 -2.27 0.00 0.00 179.45 178.10 3icr h GLY 255 N 0.45 0.00 -1.77 5.01 0.00 -0.64 -2.02 103.07 104.10 3icr h GLY 255 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3icr h GLY 255 CO -0.14 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.40 3icr n ALA 256 N -2.25 2.45 -2.01 3.60 0.00 -0.68 -4.95 120.51 116.67 3icr n ALA 256 Ca -0.01 -0.84 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 3icr n ALA 256 Cb 0.32 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 3icr n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3icr n GLY 257 N 1.35 0.18 3.81 0.00 0.00 -0.76 -4.92 105.19 104.87 3icr n GLY 257 Ca 0.18 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 3icr n GLY 257 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3icr s LEU 258 N -2.19 4.23 0.27 0.99 1.43 0.17 -5.01 118.68 118.56 3icr s LEU 258 Ca 0.00 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 54.34 3icr s LEU 258 Cb 0.00 -3.94 -0.13 0.00 0.03 0.00 0.00 46.19 42.15 3icr s LEU 258 CO 0.00 -0.10 1.43 0.00 0.23 0.00 0.00 176.35 177.91 3icr n ALA 259 N 0.27 1.48 -2.72 4.21 0.00 -1.26 -4.53 120.51 117.96 3icr n ALA 259 Ca 0.01 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 3icr n ALA 259 Cb 0.52 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 3icr n ALA 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3icr s LEU 260 N -0.23 3.46 0.00 0.00 1.43 -1.26 -1.90 118.68 120.18 3icr s LEU 260 Ca 0.65 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3icr s LEU 260 Cb -0.60 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3icr s LEU 260 CO 0.51 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.71 3icr n GLY 261 N -0.80 6.81 3.74 -3.19 0.00 0.16 -4.65 105.19 107.25 3icr n GLY 261 Ca -0.08 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 3icr n GLY 261 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3icr n VAL 262 N 0.00 2.88 -1.73 1.61 0.24 -1.26 -2.18 118.33 117.88 3icr n VAL 262 Ca 0.00 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.34 61.64 3icr n VAL 262 Cb 0.00 -1.73 -0.05 0.00 -1.47 0.00 0.00 33.84 30.59 3icr n VAL 262 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3icr n ARG 263 N -0.25 -1.53 -1.01 7.34 1.74 -1.26 -1.64 116.66 120.05 3icr n ARG 263 Ca 0.06 0.90 -0.00 0.00 -0.77 0.00 0.00 57.85 58.04 3icr n ARG 263 Cb 0.41 -5.29 -0.00 0.00 -1.02 0.00 0.00 32.46 26.56 3icr n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3icr n GLY 264 N -0.47 0.44 3.73 -0.13 0.00 -0.93 -4.50 105.19 103.33 3icr n GLY 264 Ca -0.17 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 3icr n GLY 264 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3icr s THR 265 N -2.01 2.84 -0.17 2.61 -4.23 -0.65 -4.64 115.64 109.39 3icr s THR 265 Ca 0.00 0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 60.49 3icr s THR 265 Cb 0.00 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3icr s THR 265 CO 0.00 -0.36 1.11 -0.63 -0.54 0.00 0.00 174.62 174.21 3icr s ILE 266 N -2.82 4.54 0.13 2.99 1.01 0.28 0.37 121.20 127.70 3icr s ILE 266 Ca 0.63 1.85 -0.29 0.00 0.00 0.00 0.00 60.65 62.84 3icr s ILE 266 Cb -0.19 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 3icr s ILE 266 CO 0.57 -0.12 0.93 -0.75 0.00 0.00 0.00 174.94 175.57 3icr s LYS 267 N 2.97 4.70 0.04 2.79 2.20 -0.80 -2.00 119.74 129.65 3icr s LYS 267 Ca 0.49 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 3icr s LYS 267 Cb -0.19 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 3icr s LYS 267 CO 0.12 0.30 -0.04 0.14 -0.36 0.00 0.00 175.35 175.51 3icr s VAL 268 N -0.30 0.28 0.09 4.02 -7.23 -1.26 -4.33 120.40 111.66 3icr s VAL 268 Ca 0.44 -1.39 -0.01 0.00 -1.81 0.00 0.00 61.98 59.21 3icr s VAL 268 Cb -0.24 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 35.78 3icr s VAL 268 CO 0.29 -0.72 0.12 -0.46 -0.31 0.00 0.00 175.10 174.03 3icr n ASN 269 N 0.83 0.03 0.13 4.85 0.23 0.44 -4.86 115.26 116.91 3icr n ASN 269 Ca -0.19 -1.06 0.12 0.00 -0.53 0.00 0.00 54.58 52.92 3icr n ASN 269 Cb 0.58 -0.09 0.48 0.00 -2.08 0.00 0.00 39.78 38.67 3icr n ASN 269 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3icr n GLU 270 N -1.25 0.19 -0.52 -3.83 4.71 -1.26 -1.32 120.64 117.36 3icr n GLU 270 Ca 0.02 0.41 0.08 0.00 -0.01 0.00 0.00 57.16 57.66 3icr n GLU 270 Cb 0.06 -1.86 0.29 0.00 -1.01 0.00 0.00 31.44 28.92 3icr n GLU 270 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3icr n LYS 271 N -2.22 3.46 -1.21 3.49 5.02 -1.26 -2.80 118.16 122.64 3icr n LYS 271 Ca 0.02 -2.79 -0.07 0.00 -2.02 0.00 0.00 58.31 53.45 3icr n LYS 271 Cb 0.23 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 3icr n LYS 271 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3icr n PHE 272 N 0.20 0.00 -3.11 2.13 3.01 -0.43 -4.96 117.46 114.30 3icr n PHE 272 Ca 0.22 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.29 3icr n PHE 272 Cb 0.88 -1.61 -0.05 0.00 -0.01 0.00 0.00 39.48 38.68 3icr n PHE 272 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3icr s GLN 273 N -2.44 4.40 0.64 -1.08 0.74 -1.26 -0.96 119.66 119.70 3icr s GLN 273 Ca 0.00 0.86 -0.11 0.00 0.05 0.00 0.00 55.36 56.16 3icr s GLN 273 Cb 0.00 -3.37 0.15 0.00 1.10 0.00 0.00 33.01 30.89 3icr s GLN 273 CO 0.00 0.28 0.81 0.25 -0.55 0.00 0.00 175.29 176.09 3icr n THR 274 N 2.96 0.00 0.15 -0.34 -2.24 -0.69 -0.42 114.28 113.71 3icr n THR 274 Ca -0.04 -0.57 0.06 0.00 -2.27 0.00 0.00 64.05 61.23 3icr n THR 274 Cb 0.51 -1.61 0.30 0.00 -2.10 0.00 0.00 70.33 67.43 3icr n THR 274 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3icr n SER 275 N -3.64 0.28 -4.66 3.42 3.41 -1.26 -4.42 113.62 106.76 3icr n SER 275 Ca 0.10 0.62 -0.36 0.00 -0.26 0.00 0.00 58.87 58.97 3icr n SER 275 Cb 0.36 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 3icr n SER 275 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3icr s ASP 276 N -3.52 6.00 0.00 4.04 2.15 -1.26 -5.00 116.67 119.09 3icr s ASP 276 Ca 0.00 0.11 0.10 0.00 0.43 0.00 0.00 52.55 53.19 3icr s ASP 276 Cb 0.04 -2.07 0.44 0.00 -0.30 0.00 0.00 42.92 41.04 3icr s ASP 276 CO 0.14 0.10 1.32 -0.81 -0.17 0.00 0.00 175.17 175.75 3icr n PRO 277 N 4.06 0.01 -0.09 4.34 -0.04 -1.26 -2.08 135.00 139.94 3icr n PRO 277 Ca -0.16 0.31 0.03 0.00 -0.04 0.00 0.00 63.50 63.65 3icr n PRO 277 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 3icr n PRO 277 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3icr n HIS 278 N -1.48 0.24 -4.83 0.54 8.25 -1.26 -4.94 115.22 111.73 3icr n HIS 278 Ca 0.03 -0.45 -0.32 0.00 -0.26 0.00 0.00 57.72 56.71 3icr n HIS 278 Cb 0.12 -0.03 -0.17 0.00 1.12 0.00 0.00 29.99 31.03 3icr n HIS 278 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3icr s ILE 279 N -0.95 2.06 0.24 1.59 1.01 -0.88 -1.05 121.20 123.22 3icr s ILE 279 Ca 0.12 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3icr s ILE 279 Cb 0.07 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3icr s ILE 279 CO 0.09 0.55 -0.07 -0.31 0.00 0.00 0.00 174.94 175.20 3icr s TYR 280 N 0.68 2.61 -0.07 3.97 1.51 0.13 -1.70 117.35 124.48 3icr s TYR 280 Ca -0.10 -0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 55.64 3icr s TYR 280 Cb -0.16 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.52 3icr s TYR 280 CO 0.01 0.61 0.20 0.00 -1.11 0.00 0.00 175.55 175.26 3icr s ALA 281 N -2.17 -0.49 0.30 3.71 0.00 -0.13 -0.21 121.76 122.76 3icr s ALA 281 Ca 0.29 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 3icr s ALA 281 Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3icr s ALA 281 CO 0.18 -0.12 0.36 0.96 0.00 0.00 0.00 175.76 177.14 3icr s ILE 282 N -0.12 0.00 0.00 0.00 -4.36 -0.47 -4.76 121.20 111.50 3icr s ILE 282 Ca -0.02 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3icr s ILE 282 Cb -0.02 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.17 3icr s ILE 282 CO 0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.80 3icr n GLY 283 N -0.49 -1.67 0.36 6.27 0.00 -1.26 -4.18 105.19 104.21 3icr n GLY 283 Ca 0.02 -1.48 0.18 0.00 0.00 0.00 0.00 46.02 44.74 3icr n GLY 283 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3icr h ASP 284 N 0.00 0.00 1.11 1.61 3.32 -1.88 -2.78 116.42 117.81 3icr h ASP 284 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3icr h ASP 284 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3icr h ASP 284 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3icr h ALA 285 N 1.63 1.00 -2.55 3.45 0.00 -1.72 -3.44 119.26 117.63 3icr h ALA 285 Ca 0.11 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.48 3icr h ALA 285 Cb 0.71 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3icr h ALA 285 CO -0.00 0.00 -0.48 0.96 0.00 0.00 0.00 179.25 179.73 3icr s ILE 286 N -3.34 5.17 0.15 0.00 -4.36 -1.05 -0.56 121.20 117.21 3icr s ILE 286 Ca 0.05 -0.78 -0.30 0.00 -0.26 0.00 0.00 60.65 59.36 3icr s ILE 286 Cb 0.09 -3.67 -0.07 0.00 1.25 0.00 0.00 42.46 40.06 3icr s ILE 286 CO 0.51 -0.12 0.96 -0.70 0.24 0.00 0.00 174.94 175.83 3icr s GLU 287 N -3.28 4.74 0.22 0.37 2.12 -0.85 -4.70 118.70 117.33 3icr s GLU 287 Ca 0.34 1.47 0.07 0.00 0.36 0.00 0.00 54.97 57.21 3icr s GLU 287 Cb -0.11 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3icr s GLU 287 CO 0.28 0.30 -0.13 0.14 -0.54 0.00 0.00 175.26 175.31 3icr s VAL 288 N -0.35 1.72 -0.02 3.70 -7.23 -0.63 -4.58 120.40 113.01 3icr s VAL 288 Ca 0.45 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 58.26 3icr s VAL 288 Cb -0.24 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 3icr s VAL 288 CO 0.31 -0.53 0.46 -0.54 -0.31 0.00 0.00 175.10 174.49 3icr s LYS 289 N -3.66 4.11 0.36 4.82 1.02 -1.26 -0.37 119.74 124.76 3icr s LYS 289 Ca 0.24 0.49 -0.28 0.00 0.02 0.00 0.00 55.97 56.44 3icr s LYS 289 Cb 0.00 -3.29 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 3icr s LYS 289 CO 0.08 0.51 1.32 0.16 -0.92 0.00 0.00 175.35 176.50 3icr s ASP 290 N -0.55 6.61 0.30 2.83 1.47 -0.05 -1.00 116.67 126.28 3icr s ASP 290 Ca 0.25 2.71 -0.01 0.00 1.18 0.00 0.00 52.55 56.69 3icr s ASP 290 Cb -0.17 -2.65 0.49 0.00 -0.34 0.00 0.00 42.92 40.25 3icr s ASP 290 CO 0.14 -0.65 1.95 0.15 0.68 0.00 0.00 175.17 177.44 3icr h PHE 291 N 3.16 1.03 -0.01 2.11 3.57 -1.23 -0.06 116.94 125.50 3icr h PHE 291 Ca -0.49 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 3icr h PHE 291 Cb 1.23 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.63 3icr h PHE 291 CO 0.55 0.61 -0.06 0.28 -2.23 0.00 0.00 178.31 177.46 3icr h VAL 292 N 1.07 1.55 -0.00 1.41 2.07 -1.90 -3.37 116.25 117.07 3icr h VAL 292 Ca 0.33 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3icr h VAL 292 Cb -0.01 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3icr h VAL 292 CO -0.09 0.45 -0.18 0.35 0.02 0.00 0.00 177.57 178.12 3icr n THR 293 N -4.70 0.00 -2.59 2.57 -2.24 -1.25 -5.01 114.28 101.07 3icr n THR 293 Ca -0.09 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.11 3icr n THR 293 Cb 0.38 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 69.67 3icr n THR 293 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3icr n GLU 294 N -0.60 -2.62 -3.17 -0.78 1.02 -0.04 -4.99 120.64 109.46 3icr n GLU 294 Ca 0.02 0.76 -0.39 0.00 -0.02 0.00 0.00 57.16 57.54 3icr n GLU 294 Cb 0.12 -5.21 -0.06 0.00 -0.02 0.00 0.00 31.44 26.27 3icr n GLU 294 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3icr s THR 295 N -2.94 4.77 0.14 2.62 2.01 -1.26 -4.69 115.64 116.30 3icr s THR 295 Ca 0.12 1.33 -0.31 0.00 0.31 0.00 0.00 61.69 63.14 3icr s THR 295 Cb -0.05 -3.97 -0.11 0.00 0.01 0.00 0.00 72.50 68.38 3icr s THR 295 CO 0.15 0.47 1.81 -1.61 -0.69 0.00 0.00 174.62 174.75 3icr s GLU 296 N -0.57 4.13 0.00 4.92 8.01 -1.26 -0.88 118.70 133.06 3icr s GLU 296 Ca 0.32 2.61 0.00 0.00 0.01 0.00 0.00 54.97 57.91 3icr s GLU 296 Cb -0.19 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.14 3icr s GLU 296 CO 0.19 -0.83 0.00 -2.37 0.01 0.00 0.00 175.26 172.27 3icr n THR 297 N 4.58 0.00 0.00 3.63 5.66 0.51 -4.93 114.28 123.73 3icr n THR 297 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 3icr n THR 297 Cb 0.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 3icr n THR 297 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3icr n ILE 299 N 0.00 0.00 -2.53 1.09 5.41 -1.26 -1.60 119.36 120.46 3icr n ILE 299 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 3icr n ILE 299 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 3icr n ILE 299 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3icr s PRO 300 N 0.00 3.77 0.09 0.38 0.04 -1.26 -4.87 135.00 133.15 3icr s PRO 300 Ca 0.00 -1.69 0.03 0.00 0.04 0.00 0.00 61.00 59.38 3icr s PRO 300 Cb 0.00 -5.47 -0.04 0.00 0.04 0.00 0.00 34.50 29.04 3icr s PRO 300 CO 0.00 -2.37 -0.10 -0.51 0.04 0.00 0.00 177.00 174.06 3icr s LEU 301 N 4.94 2.41 0.08 -3.56 1.43 -1.26 -5.01 118.68 117.71 3icr s LEU 301 Ca 0.53 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 3icr s LEU 301 Cb 0.02 -0.27 -0.16 0.00 0.03 0.00 0.00 46.19 45.82 3icr s LEU 301 CO 0.03 -0.28 1.29 0.00 0.23 0.00 0.00 176.35 177.62 3icr h ALA 302 N 3.54 0.29 0.10 4.21 0.00 -1.97 -2.68 119.26 122.74 3icr h ALA 302 Ca -0.37 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.01 3icr h ALA 302 Cb 1.19 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3icr h ALA 302 CO 0.54 0.57 -0.27 2.35 0.00 0.00 0.00 179.25 182.43 3icr h TRP 303 N 0.41 -0.73 -0.44 0.00 7.01 -1.98 -0.28 115.95 119.94 3icr h TRP 303 Ca -0.04 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.06 3icr h TRP 303 Cb 1.27 0.31 -0.07 0.00 -2.10 0.00 0.00 29.16 28.57 3icr h TRP 303 CO 0.09 -0.37 0.02 -1.35 -2.79 0.00 0.00 178.44 174.04 3icr h PRO 304 N -0.47 0.13 -0.59 2.65 0.11 -1.94 0.30 132.00 132.19 3icr h PRO 304 Ca 0.04 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.15 3icr h PRO 304 Cb 0.51 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 3icr h PRO 304 CO -0.17 0.09 0.38 0.00 -0.21 0.00 0.00 178.00 178.09 3icr h ALA 305 N 1.38 0.75 -0.60 -0.75 0.00 -1.11 0.19 119.26 119.12 3icr h ALA 305 Ca 0.22 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3icr h ALA 305 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3icr h ALA 305 CO -0.35 0.15 0.18 -0.91 0.00 0.00 0.00 179.25 178.32 3icr h ASN 306 N 0.77 0.89 -0.28 0.00 2.35 -0.88 -2.19 115.58 116.23 3icr h ASN 306 Ca 0.22 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3icr h ASN 306 Cb -0.05 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3icr h ASN 306 CO -0.07 0.87 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.46 3icr h ARG 307 N 0.86 0.52 -0.82 0.81 9.65 -0.39 -2.42 114.38 122.59 3icr h ARG 307 Ca 0.19 -0.18 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3icr h ARG 307 Cb 0.30 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 3icr h ARG 307 CO -0.00 0.70 0.53 1.96 2.80 0.00 0.00 179.97 185.95 3icr h GLN 308 N 0.30 1.01 -0.24 0.20 4.20 -0.63 -2.81 115.11 117.13 3icr h GLN 308 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3icr h GLN 308 Cb 0.48 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3icr h GLN 308 CO 0.02 0.67 0.16 0.78 -0.67 0.00 0.00 178.83 179.79 3icr h GLY 309 N 1.04 0.34 -1.37 3.46 0.00 -1.28 0.20 103.07 105.47 3icr h GLY 309 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3icr h GLY 309 CO -0.10 0.13 0.00 -2.13 0.00 0.00 0.00 176.54 174.43 3icr n ARG 310 N -4.92 0.24 0.00 4.80 0.00 -0.92 -2.03 116.66 113.83 3icr n ARG 310 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 3icr n ARG 310 Cb 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.27 3icr n ARG 310 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3icr n LEU 312 N 0.56 0.00 -0.35 6.15 7.94 0.70 -2.40 117.00 129.60 3icr n LEU 312 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 3icr n LEU 312 Cb 0.08 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.15 3icr n LEU 312 CO 0.00 0.00 1.24 0.00 -1.11 0.00 0.00 177.39 177.52 3icr h ALA 313 N 0.00 1.24 -0.51 1.96 0.00 -1.65 -1.38 119.26 118.92 3icr h ALA 313 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3icr h ALA 313 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3icr h ALA 313 CO 0.00 0.66 -0.02 -0.44 0.00 0.00 0.00 179.25 179.44 3icr h ASP 314 N 1.30 0.86 -0.61 0.00 3.32 -1.76 0.53 116.42 120.06 3icr h ASP 314 Ca 0.34 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3icr h ASP 314 Cb -0.07 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3icr h ASP 314 CO -0.07 0.94 0.40 0.40 -1.72 0.00 0.00 179.24 179.19 3icr h ILE 315 N 0.81 1.16 -0.02 0.35 2.04 -1.65 0.42 117.51 120.63 3icr h ILE 315 Ca 0.15 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3icr h ILE 315 Cb 0.52 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3icr h ILE 315 CO 0.03 0.16 -0.15 0.40 0.00 0.00 0.00 178.15 178.59 3icr h ILE 316 N 0.83 1.51 0.00 -0.67 2.04 -1.11 -3.42 117.51 116.70 3icr h ILE 316 Ca 0.22 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.37 3icr h ILE 316 Cb -0.09 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3icr h ILE 316 CO -0.05 0.47 -0.13 1.41 0.00 0.00 0.00 178.15 179.84 3icr n HIS 317 N -4.61 0.00 -1.29 1.37 8.25 0.16 -5.08 115.22 114.03 3icr n HIS 317 Ca -0.09 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 3icr n HIS 317 Cb 0.42 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3icr n HIS 317 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3icr n GLY 318 N -0.27 1.92 0.00 -1.41 0.00 0.15 -4.88 105.19 100.71 3icr n GLY 318 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3icr n GLY 318 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3icr n HIS 319 N 0.00 0.00 -2.18 1.61 8.25 -1.25 -4.91 115.22 116.74 3icr n HIS 319 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3icr n HIS 319 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3icr n HIS 319 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3icr s THR 320 N 3.05 3.79 -0.17 1.59 -1.32 -1.26 -4.89 115.64 116.42 3icr s THR 320 Ca 0.00 0.88 -0.39 0.00 -1.21 0.00 0.00 61.69 60.97 3icr s THR 320 Cb 0.00 -3.81 -0.16 0.00 -1.51 0.00 0.00 72.50 67.01 3icr s THR 320 CO 0.00 -0.35 1.59 0.47 -2.21 0.00 0.00 174.62 174.12 3icr n ASP 321 N 8.35 2.02 -4.83 8.08 10.43 -1.26 -4.97 116.55 134.38 3icr n ASP 321 Ca 0.18 1.10 -0.37 0.00 2.57 0.00 0.00 54.79 58.26 3icr n ASP 321 Cb 0.46 -1.14 -0.06 0.00 1.84 0.00 0.00 41.12 42.22 3icr n ASP 321 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3icr s SER 322 N 2.45 6.94 0.00 -2.24 1.04 -1.26 -5.09 113.70 115.55 3icr s SER 322 Ca 0.94 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 58.52 3icr s SER 322 Cb -1.06 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 62.70 3icr s SER 322 CO 0.60 0.21 0.11 -0.76 0.98 0.00 0.00 173.24 174.38 3icr s LEU 323 N -1.45 4.03 -0.15 2.42 1.02 -1.26 -4.95 118.68 118.35 3icr s LEU 323 Ca 0.32 0.19 -0.29 0.00 0.02 0.00 0.00 54.13 54.37 3icr s LEU 323 Cb -0.17 -2.39 -0.02 0.00 0.02 0.00 0.00 46.19 43.62 3icr s LEU 323 CO 0.18 0.26 1.37 -0.47 0.02 0.00 0.00 176.35 177.71 3icr s TYR 324 N -1.25 2.61 -1.06 0.29 5.04 -1.12 -4.89 117.35 116.97 3icr s TYR 324 Ca 0.25 0.79 0.09 0.00 -2.44 0.00 0.00 57.07 55.76 3icr s TYR 324 Cb -0.12 -3.63 0.42 0.00 0.35 0.00 0.00 41.96 38.98 3icr s TYR 324 CO 0.16 -2.25 1.23 0.36 -1.34 0.00 0.00 175.55 173.71 3icr n LYS 325 N 6.79 2.75 0.00 4.97 2.85 -1.26 -4.94 118.16 129.32 3icr n LYS 325 Ca 0.15 -1.65 0.00 0.00 -1.05 0.00 0.00 58.31 55.76 3icr n LYS 325 Cb 0.44 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 3icr n LYS 325 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3icr n GLY 326 N 0.62 0.97 3.73 2.58 0.00 -1.26 -4.45 105.19 107.38 3icr n GLY 326 Ca 0.15 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 3icr n GLY 326 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icr s THR 327 N -1.57 5.40 0.09 2.61 2.01 -0.17 -4.64 115.64 119.36 3icr s THR 327 Ca 0.00 0.21 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 3icr s THR 327 Cb 0.00 -3.48 -0.21 0.00 0.01 0.00 0.00 72.50 68.82 3icr s THR 327 CO 0.00 0.43 1.23 0.25 -0.69 0.00 0.00 174.62 175.84 3icr h LEU 328 N 6.69 0.89 -0.11 4.42 6.46 -1.94 -0.16 115.31 131.56 3icr h LEU 328 Ca -0.41 -0.68 0.00 0.00 -0.12 0.00 0.00 57.88 56.67 3icr h LEU 328 Cb 1.15 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 3icr h LEU 328 CO 0.76 1.48 0.00 0.61 -0.62 0.00 0.00 178.44 180.67 3icr n GLY 329 N 0.98 1.28 3.66 3.75 0.00 -1.26 -2.11 105.19 111.49 3icr n GLY 329 Ca -0.10 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3icr n GLY 329 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3icr s THR 330 N -2.11 3.87 0.18 2.61 2.01 -1.26 -4.13 115.64 116.82 3icr s THR 330 Ca 0.00 1.10 -0.04 0.00 0.31 0.00 0.00 61.69 63.06 3icr s THR 330 Cb 0.00 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 3icr s THR 330 CO 0.00 -0.08 0.18 -0.94 -0.69 0.00 0.00 174.62 173.09 3icr s SER 331 N 2.57 0.14 -0.15 3.53 1.04 -0.11 -4.99 113.70 115.72 3icr s SER 331 Ca 0.65 -1.20 -0.26 0.00 0.48 0.00 0.00 55.95 55.61 3icr s SER 331 Cb -0.28 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.30 3icr s SER 331 CO 0.23 -0.86 0.66 0.54 0.98 0.00 0.00 173.24 174.79 3icr s VAL 332 N -4.08 0.00 0.01 5.02 0.11 -1.26 -1.54 120.40 118.66 3icr s VAL 332 Ca 0.30 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3icr s VAL 332 Cb 0.05 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 3icr s VAL 332 CO 0.07 -0.01 -0.02 0.00 -3.33 0.00 0.00 175.10 171.81 3icr s ALA 333 N -0.41 0.08 -0.02 1.54 0.00 0.07 -5.00 121.76 118.02 3icr s ALA 333 Ca -0.06 -0.38 -0.28 0.00 0.00 0.00 0.00 51.96 51.24 3icr s ALA 333 Cb -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3icr s ALA 333 CO 0.05 -0.10 0.88 0.21 0.00 0.00 0.00 175.76 176.80 3icr s LYS 334 N -0.95 4.52 -0.44 0.00 2.20 -1.26 -1.39 119.74 122.43 3icr s LYS 334 Ca -0.10 1.24 0.02 0.00 -0.36 0.00 0.00 55.97 56.77 3icr s LYS 334 Cb -0.06 -3.45 0.13 0.00 -1.51 0.00 0.00 37.83 32.93 3icr s LYS 334 CO -0.01 -0.00 0.23 0.08 -0.36 0.00 0.00 175.35 175.29 3icr s VAL 335 N 0.91 1.49 0.00 4.02 1.01 0.13 -4.71 120.40 123.25 3icr s VAL 335 Ca 0.47 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.89 3icr s VAL 335 Cb -0.20 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3icr s VAL 335 CO 0.25 -0.87 0.00 0.49 0.00 0.00 0.00 175.10 174.97 3icr n PHE 336 N 3.59 0.00 1.30 5.22 3.72 -1.26 -1.06 117.46 128.97 3icr n PHE 336 Ca 0.08 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.62 3icr n PHE 336 Cb 0.35 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.50 3icr n PHE 336 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3icr n ASP 337 N 7.20 0.28 -4.89 4.37 10.43 -1.26 -4.87 116.55 127.81 3icr n ASP 337 Ca 0.00 -0.25 -0.33 0.00 2.57 0.00 0.00 54.79 56.79 3icr n ASP 337 Cb 0.00 -0.16 -0.05 0.00 1.84 0.00 0.00 41.12 42.75 3icr n ASP 337 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3icr s LEU 338 N -2.65 4.31 -0.12 0.64 1.02 -0.22 -4.41 118.68 117.26 3icr s LEU 338 Ca 0.24 0.59 -0.03 0.00 0.02 0.00 0.00 54.13 54.95 3icr s LEU 338 Cb 0.20 -3.11 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 3icr s LEU 338 CO 0.51 0.12 -0.00 -0.89 0.02 0.00 0.00 176.35 176.10 3icr s THR 339 N -1.54 4.26 -0.10 5.49 2.01 0.40 0.19 115.64 126.35 3icr s THR 339 Ca 0.37 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.13 3icr s THR 339 Cb -0.13 -2.83 0.02 0.00 0.01 0.00 0.00 72.50 69.57 3icr s THR 339 CO 0.22 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.90 3icr s VAL 340 N -0.39 1.26 0.07 3.82 1.01 -0.48 -2.20 120.40 123.48 3icr s VAL 340 Ca 0.07 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3icr s VAL 340 Cb -0.12 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3icr s VAL 340 CO 0.02 0.40 -0.10 0.00 0.00 0.00 0.00 175.10 175.42 3icr s ALA 341 N 1.21 0.87 0.05 5.51 0.00 0.30 -0.75 121.76 128.95 3icr s ALA 341 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 3icr s ALA 341 Cb -0.14 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3icr s ALA 341 CO -0.04 0.01 0.08 -0.08 0.00 0.00 0.00 175.76 175.73 3icr s THR 342 N -1.74 0.16 -0.11 0.00 -1.32 -0.59 -0.61 115.64 111.43 3icr s THR 342 Ca -0.03 -1.32 -0.29 0.00 -1.21 0.00 0.00 61.69 58.84 3icr s THR 342 Cb -0.07 -1.17 0.07 0.00 -1.51 0.00 0.00 72.50 69.81 3icr s THR 342 CO 0.00 -0.73 0.68 0.28 -2.21 0.00 0.00 174.62 172.64 3icr s THR 343 N -3.27 0.00 0.00 5.08 -1.32 -0.46 -0.93 115.64 114.74 3icr s THR 343 Ca 0.01 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 3icr s THR 343 Cb 0.03 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 3icr s THR 343 CO -0.08 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 3icr n GLY 344 N 1.45 0.81 3.79 6.08 0.00 -0.90 -1.13 105.19 115.29 3icr n GLY 344 Ca -0.18 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 3icr n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3icr s LEU 345 N 0.00 3.82 0.49 0.99 1.02 0.53 -4.86 118.68 120.67 3icr s LEU 345 Ca 0.00 -0.05 0.08 0.00 0.02 0.00 0.00 54.13 54.18 3icr s LEU 345 Cb 0.00 -2.47 0.04 0.00 0.02 0.00 0.00 46.19 43.78 3icr s LEU 345 CO 0.00 0.13 0.62 0.54 0.02 0.00 0.00 176.35 177.66 3icr s ASN 346 N -2.70 5.27 0.24 2.29 2.20 -1.26 -3.93 114.94 117.06 3icr s ASN 346 Ca 0.30 -0.71 -0.05 0.00 -0.94 0.00 0.00 52.86 51.46 3icr s ASN 346 Cb -0.11 -0.16 0.35 0.00 -2.00 0.00 0.00 41.25 39.33 3icr s ASN 346 CO 0.23 -1.02 1.84 -0.33 -2.94 0.00 0.00 177.10 174.88 3icr h GLU 347 N 0.51 0.90 -0.50 3.55 5.08 -1.97 -1.92 114.58 120.22 3icr h GLU 347 Ca -0.36 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3icr h GLU 347 Cb 1.28 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 3icr h GLU 347 CO 0.46 0.59 0.25 0.87 -1.00 0.00 0.00 179.01 180.18 3icr h LYS 348 N 0.92 0.48 -0.14 2.33 1.57 -1.97 0.23 116.57 119.99 3icr h LYS 348 Ca 0.38 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.08 3icr h LYS 348 Cb 0.23 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3icr h LYS 348 CO -0.19 0.32 -0.13 0.82 -0.57 0.00 0.00 179.45 179.70 3icr h ILE 349 N 0.50 1.34 -0.63 1.86 2.04 -1.92 -1.76 117.51 118.95 3icr h ILE 349 Ca 0.22 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 64.88 3icr h ILE 349 Cb 0.13 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 3icr h ILE 349 CO -0.16 0.37 0.33 -0.07 0.00 0.00 0.00 178.15 178.63 3icr h LEU 350 N -0.03 0.48 -0.68 1.44 3.38 -1.03 -0.53 115.31 118.35 3icr h LEU 350 Ca 0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3icr h LEU 350 Cb 0.64 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3icr h LEU 350 CO 0.03 0.31 0.42 0.50 0.09 0.00 0.00 178.44 179.79 3icr h LYS 351 N 0.62 0.92 -0.82 1.13 3.64 -0.55 -1.07 116.57 120.43 3icr h LYS 351 Ca 0.28 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3icr h LYS 351 Cb 0.20 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3icr h LYS 351 CO -0.19 0.64 0.53 -0.09 -2.27 0.00 0.00 179.45 178.07 3icr h ARG 352 N 0.92 1.09 -0.00 1.90 2.43 -0.49 -1.77 114.38 118.47 3icr h ARG 352 Ca 0.25 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3icr h ARG 352 Cb -0.05 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 3icr h ARG 352 CO -0.05 0.74 -0.05 1.28 -1.51 0.00 0.00 179.97 180.38 3icr n LEU 353 N -4.40 0.25 -2.53 3.80 4.77 -0.28 -4.93 117.00 113.67 3icr n LEU 353 Ca 0.09 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.97 3icr n LEU 353 Cb 0.04 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3icr n LEU 353 CO 0.37 0.05 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.19 3icr n ASN 354 N -1.06 -5.61 -4.69 -1.43 5.15 -0.48 -4.99 115.26 102.15 3icr n ASN 354 Ca 0.16 -0.18 -0.39 0.00 -0.60 0.00 0.00 54.58 53.57 3icr n ASN 354 Cb 0.24 -4.51 -0.06 0.00 -0.53 0.00 0.00 39.78 34.91 3icr n ASN 354 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3icr s ILE 355 N -3.06 5.12 0.16 -1.44 1.01 -0.78 -5.03 121.20 117.18 3icr s ILE 355 Ca 0.18 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.56 3icr s ILE 355 Cb -0.08 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 3icr s ILE 355 CO 0.22 0.23 1.20 -2.16 0.00 0.00 0.00 174.94 174.43 3icr s PRO 356 N 1.21 4.48 0.18 2.79 0.04 -1.26 -4.61 135.00 137.83 3icr s PRO 356 Ca 0.27 1.85 -0.07 0.00 0.04 0.00 0.00 61.00 63.08 3icr s PRO 356 Cb -0.16 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 3icr s PRO 356 CO 0.11 -0.11 0.27 1.52 0.04 0.00 0.00 177.00 178.82 3icr s TYR 357 N 0.14 0.57 0.29 0.56 1.13 -1.26 -4.73 117.35 114.05 3icr s TYR 357 Ca 0.54 -0.91 0.07 0.00 -1.41 0.00 0.00 57.07 55.36 3icr s TYR 357 Cb -0.32 -0.14 -0.06 0.00 -1.10 0.00 0.00 41.96 40.34 3icr s TYR 357 CO 0.35 -0.74 -0.06 -1.21 -2.51 0.00 0.00 175.55 171.38 3icr s GLU 358 N -4.02 1.59 0.08 -3.49 0.41 0.85 -4.92 118.70 109.20 3icr s GLU 358 Ca 0.23 -1.81 0.02 0.00 -0.41 0.00 0.00 54.97 53.00 3icr s GLU 358 Cb 0.04 -1.24 -0.04 0.00 -1.78 0.00 0.00 34.13 31.11 3icr s GLU 358 CO 0.04 0.05 -0.07 0.14 -0.49 0.00 0.00 175.26 174.93 3icr s VAL 359 N -2.95 0.64 0.01 2.63 -7.23 -1.26 -1.23 120.40 111.01 3icr s VAL 359 Ca 0.30 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3icr s VAL 359 Cb 0.03 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.59 3icr s VAL 359 CO 0.13 -0.74 -0.03 0.54 -0.31 0.00 0.00 175.10 174.69 3icr s VAL 360 N -3.00 0.22 -0.27 1.32 0.11 -0.57 -4.99 120.40 113.23 3icr s VAL 360 Ca 0.06 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3icr s VAL 360 Cb 0.01 -0.24 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 3icr s VAL 360 CO -0.03 -0.10 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.57 3icr s HIS 361 N -0.48 3.18 -0.24 1.54 3.76 -1.26 -1.67 115.29 120.12 3icr s HIS 361 Ca -0.04 -1.93 0.02 0.00 -0.15 0.00 0.00 55.06 52.97 3icr s HIS 361 Cb -0.04 -2.02 0.05 0.00 1.11 0.00 0.00 32.58 31.68 3icr s HIS 361 CO -0.00 -0.81 -0.13 0.08 -0.85 0.00 0.00 174.74 173.03 3icr s VAL 362 N 1.22 2.21 -0.23 -0.90 1.01 0.41 -3.94 120.40 120.19 3icr s VAL 362 Ca -0.04 -1.38 -0.17 0.00 0.00 0.00 0.00 61.98 60.38 3icr s VAL 362 Cb -0.19 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3icr s VAL 362 CO -0.04 0.15 0.48 -1.58 0.00 0.00 0.00 175.10 174.11 3icr s GLN 363 N 1.18 4.13 0.04 2.72 0.74 -1.26 -0.99 119.66 126.21 3icr s GLN 363 Ca -0.04 0.30 -0.01 0.00 0.05 0.00 0.00 55.36 55.66 3icr s GLN 363 Cb -0.18 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 3icr s GLN 363 CO -0.07 -0.21 -0.03 0.00 -0.55 0.00 0.00 175.29 174.43 3icr s ALA 364 N 1.85 0.39 0.45 1.58 0.00 -0.04 -4.94 121.76 121.05 3icr s ALA 364 Ca 0.21 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 3icr s ALA 364 Cb -0.15 0.23 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 3icr s ALA 364 CO 0.09 -0.29 0.99 -0.80 0.00 0.00 0.00 175.76 175.74 3icr s ASN 365 N -2.43 6.70 0.48 0.00 0.01 -1.26 0.14 114.94 118.58 3icr s ASN 365 Ca -0.01 1.79 0.14 0.00 -0.71 0.00 0.00 52.86 54.07 3icr s ASN 365 Cb 0.02 -2.55 1.13 0.00 0.41 0.00 0.00 41.25 40.26 3icr s ASN 365 CO -0.07 -0.53 2.09 0.77 -1.51 0.00 0.00 177.10 177.86 3icr h SER 366 N 1.77 0.18 -5.27 -1.22 4.64 -1.01 -3.43 113.55 109.21 3icr h SER 366 Ca -0.49 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 3icr h SER 366 Cb 1.20 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 3icr h SER 366 CO 0.60 0.13 -0.05 -1.38 -0.87 0.00 0.00 176.83 175.26 3icr s HIS 367 N -5.23 0.50 0.21 4.77 -3.43 -1.26 -4.12 115.29 106.73 3icr s HIS 367 Ca -0.06 -0.89 -0.32 0.00 -0.80 0.00 0.00 55.06 53.00 3icr s HIS 367 Cb 0.18 0.26 -0.15 0.00 -1.43 0.00 0.00 32.58 31.44 3icr s HIS 367 CO 0.70 -1.16 1.22 0.00 -2.00 0.00 0.00 174.74 173.50 3icr n ALA 368 N -0.47 -0.14 0.27 -1.38 0.00 -0.29 -4.79 120.51 113.72 3icr n ALA 368 Ca -0.02 0.44 0.16 0.00 0.00 0.00 0.00 53.44 54.01 3icr n ALA 368 Cb 0.61 -2.10 0.66 0.00 0.00 0.00 0.00 19.45 18.62 3icr n ALA 368 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3icr h GLY 369 N 3.43 0.00 2.00 0.00 0.00 -1.92 -2.50 103.07 104.08 3icr h GLY 369 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3icr h GLY 369 CO 0.70 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.82 3icr n TYR 370 N -3.19 0.51 -3.99 5.60 0.18 -1.26 -4.69 117.16 110.31 3icr n TYR 370 Ca 0.00 0.19 -0.36 0.00 1.88 0.00 0.00 57.90 59.61 3icr n TYR 370 Cb 0.32 -0.80 -0.06 0.00 -0.38 0.00 0.00 39.34 38.41 3icr n TYR 370 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3icr s TYR 371 N -3.16 3.48 0.58 -3.48 6.14 -0.94 -5.08 117.35 114.88 3icr s TYR 371 Ca 0.07 0.41 -0.19 0.00 0.64 0.00 0.00 57.07 58.00 3icr s TYR 371 Cb 0.11 -1.87 -0.06 0.00 0.42 0.00 0.00 41.96 40.56 3icr s TYR 371 CO 0.39 0.66 0.95 -2.30 0.64 0.00 0.00 175.55 175.89 3icr n PRO 372 N 1.74 0.94 -2.19 4.97 -0.02 -1.26 -3.70 135.00 135.48 3icr n PRO 372 Ca -0.17 0.36 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 3icr n PRO 372 Cb 0.54 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 3icr n PRO 372 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3icr n ASN 373 N -0.55 -4.53 -4.75 2.55 3.02 -1.26 -4.99 115.26 104.75 3icr n ASN 373 Ca 0.13 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.30 3icr n ASN 373 Cb 0.46 -3.64 -0.03 0.00 -0.61 0.00 0.00 39.78 35.97 3icr n ASN 373 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3icr s ALA 374 N -2.72 3.48 0.04 5.41 0.00 -1.24 -4.95 121.76 121.78 3icr s ALA 374 Ca 0.00 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.08 3icr s ALA 374 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3icr s ALA 374 CO 0.00 -0.47 -0.10 -0.08 0.00 0.00 0.00 175.76 175.11 3icr s THR 375 N -0.45 0.76 0.37 0.00 -1.32 -1.26 -4.93 115.64 108.81 3icr s THR 375 Ca 0.52 -0.93 -0.28 0.00 -1.21 0.00 0.00 61.69 59.79 3icr s THR 375 Cb -0.36 -0.74 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 3icr s THR 375 CO 0.42 -0.16 1.34 -2.84 -2.21 0.00 0.00 174.62 171.18 3icr s PRO 376 N -1.21 4.16 -0.20 7.08 0.02 -1.26 -0.40 135.00 143.19 3icr s PRO 376 Ca -0.03 2.27 0.01 0.00 0.02 0.00 0.00 61.00 63.27 3icr s PRO 376 Cb -0.08 -2.94 0.03 0.00 0.02 0.00 0.00 34.50 31.53 3icr s PRO 376 CO 0.01 -0.37 -0.18 0.08 -0.33 0.00 0.00 177.00 176.21 3icr s VAL 377 N -1.18 2.13 -0.26 3.83 1.01 0.12 -3.98 120.40 122.06 3icr s VAL 377 Ca 0.53 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3icr s VAL 377 Cb -0.41 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 3icr s VAL 377 CO 0.54 0.42 0.17 -0.22 0.00 0.00 0.00 175.10 176.01 3icr s LEU 378 N 1.26 3.99 -0.13 3.92 2.96 -0.31 -0.87 118.68 129.49 3icr s LEU 378 Ca 0.02 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3icr s LEU 378 Cb -0.14 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.45 3icr s LEU 378 CO -0.11 -0.01 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.09 3icr s ILE 379 N 1.54 2.46 -0.22 6.68 1.01 -0.16 -1.75 121.20 130.75 3icr s ILE 379 Ca 0.07 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 3icr s ILE 379 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3icr s ILE 379 CO 0.08 0.53 0.07 -0.75 0.00 0.00 0.00 174.94 174.88 3icr s LYS 380 N 0.62 3.80 -0.12 2.79 2.20 0.72 -0.44 119.74 129.31 3icr s LYS 380 Ca -0.10 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3icr s LYS 380 Cb -0.16 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 3icr s LYS 380 CO 0.03 0.01 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.67 3icr s LEU 381 N 1.08 2.35 -0.09 5.43 2.96 -0.67 -1.14 118.68 128.59 3icr s LEU 381 Ca 0.04 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3icr s LEU 381 Cb -0.14 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3icr s LEU 381 CO 0.03 0.15 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.42 3icr s ILE 382 N 0.39 2.77 0.23 6.68 1.01 -0.45 -1.51 121.20 130.33 3icr s ILE 382 Ca -0.15 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 3icr s ILE 382 Cb -0.17 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.21 3icr s ILE 382 CO 0.07 0.55 0.60 0.72 0.00 0.00 0.00 174.94 176.88 3icr s PHE 383 N -0.03 -0.10 -0.15 3.97 -0.71 -0.37 -0.63 117.98 119.96 3icr s PHE 383 Ca -0.05 -0.28 -0.18 0.00 -1.04 0.00 0.00 56.93 55.38 3icr s PHE 383 Cb -0.14 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 3icr s PHE 383 CO 0.04 -1.05 0.50 1.21 -1.34 0.00 0.00 175.22 174.58 3icr s ASN 384 N -2.91 6.64 0.44 1.98 3.84 -0.10 -0.11 114.94 124.73 3icr s ASN 384 Ca 0.11 0.77 0.17 0.00 0.21 0.00 0.00 52.86 54.12 3icr s ASN 384 Cb -0.03 -2.29 1.02 0.00 -0.55 0.00 0.00 41.25 39.40 3icr s ASN 384 CO 0.02 -0.07 1.96 0.50 -2.79 0.00 0.00 177.10 176.72 3icr h LYS 385 N 7.00 0.00 0.00 0.43 3.64 -1.90 0.18 116.57 125.92 3icr h LYS 385 Ca -0.38 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3icr h LYS 385 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3icr h LYS 385 CO 0.75 0.22 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.31 3icr h ASP 386 N 0.00 0.00 0.94 4.20 3.32 -1.93 -3.41 116.42 119.53 3icr h ASP 386 Ca -0.00 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.73 3icr h ASP 386 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3icr h ASP 386 CO 0.03 0.81 -1.14 0.77 -1.72 0.00 0.00 179.24 177.99 3icr h SER 387 N -1.00 0.00 0.00 6.45 4.64 -1.98 -3.48 113.55 118.18 3icr h SER 387 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3icr h SER 387 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3icr h SER 387 CO -0.03 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 3icr n GLY 388 N 1.34 0.55 3.62 -0.77 0.00 0.64 -4.88 105.19 105.68 3icr n GLY 388 Ca -0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 3icr n GLY 388 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3icr n LYS 389 N -2.66 1.56 -3.08 1.61 4.81 -1.26 -1.32 118.16 117.82 3icr n LYS 389 Ca 0.00 0.56 -0.40 0.00 -0.87 0.00 0.00 58.31 57.59 3icr n LYS 389 Cb 0.02 -2.11 -0.06 0.00 0.02 0.00 0.00 35.03 32.90 3icr n LYS 389 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3icr s ILE 390 N -0.21 4.99 -0.08 3.15 1.01 -1.26 -0.92 121.20 127.88 3icr s ILE 390 Ca 0.70 1.25 0.15 0.00 0.00 0.00 0.00 60.65 62.74 3icr s ILE 390 Cb -0.75 -3.97 -0.17 0.00 0.01 0.00 0.00 42.46 37.58 3icr s ILE 390 CO 0.52 0.08 0.80 1.88 0.00 0.00 0.00 174.94 178.22 3icr h TYR 391 N 7.52 0.00 0.00 3.97 0.05 -1.22 -3.49 116.97 123.81 3icr h TYR 391 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 3icr h TYR 391 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3icr h TYR 391 CO 0.72 0.76 0.00 0.41 -1.05 0.00 0.00 178.16 179.00 3icr n GLY 392 N 1.45 0.89 3.36 3.88 0.00 -1.13 -0.35 105.19 113.29 3icr n GLY 392 Ca -0.12 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 3icr n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3icr s ALA 393 N -2.00 -1.17 0.03 4.61 0.00 -0.28 -1.34 121.76 121.60 3icr s ALA 393 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3icr s ALA 393 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 3icr s ALA 393 CO 0.00 -0.41 -0.07 -0.65 0.00 0.00 0.00 175.76 174.63 3icr s GLN 394 N -1.99 0.48 -0.05 0.00 -0.21 -0.29 -1.35 119.66 116.24 3icr s GLN 394 Ca -0.08 -0.55 -0.14 0.00 0.02 0.00 0.00 55.36 54.61 3icr s GLN 394 Cb -0.02 -0.32 0.03 0.00 1.00 0.00 0.00 33.01 33.71 3icr s GLN 394 CO 0.01 0.07 0.33 -0.08 -2.12 0.00 0.00 175.29 173.50 3icr s THR 395 N -0.93 0.04 0.11 -0.19 -1.32 0.22 -0.20 115.64 113.37 3icr s THR 395 Ca -0.06 -0.31 -0.10 0.00 -1.21 0.00 0.00 61.69 60.01 3icr s THR 395 Cb -0.07 -0.58 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 3icr s THR 395 CO 0.00 -0.17 0.26 -1.48 -2.21 0.00 0.00 174.62 171.02 3icr s LEU 396 N -0.82 1.09 0.00 9.08 0.05 -0.72 -0.54 118.68 126.83 3icr s LEU 396 Ca -0.09 -0.61 0.00 0.00 0.05 0.00 0.00 54.13 53.48 3icr s LEU 396 Cb -0.04 1.26 0.00 0.00 -2.05 0.00 0.00 46.19 45.36 3icr s LEU 396 CO 0.03 -0.79 0.00 0.61 -0.55 0.00 0.00 176.35 175.65 3icr n GLY 397 N -0.13 -0.87 0.12 -3.48 0.00 -0.94 -1.17 105.19 98.72 3icr n GLY 397 Ca -0.14 -1.57 0.04 0.00 0.00 0.00 0.00 46.02 44.35 3icr n GLY 397 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3icr h ARG 398 N 2.96 0.00 -1.93 1.61 3.08 -1.77 0.11 114.38 118.44 3icr h ARG 398 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3icr h ARG 398 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.85 3icr h ARG 398 CO 0.00 0.23 0.24 0.34 -1.07 0.00 0.00 179.97 179.70 3icr s ASP 399 N -5.82 -0.63 -0.17 7.04 2.15 -1.26 -4.66 116.67 113.33 3icr s ASP 399 Ca -0.00 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.79 3icr s ASP 399 Cb 0.08 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.39 3icr s ASP 399 CO 0.78 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.90 3icr n GLY 400 N 1.25 0.52 0.13 2.66 0.00 -1.26 -4.72 105.19 103.78 3icr n GLY 400 Ca -0.17 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 3icr n GLY 400 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3icr h VAL 401 N 0.00 1.06 -0.67 1.61 2.07 -1.92 -3.13 116.25 115.26 3icr h VAL 401 Ca -0.03 -2.48 -0.04 0.00 0.82 0.00 0.00 66.70 64.96 3icr h VAL 401 Cb 0.19 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 3icr h VAL 401 CO 0.05 0.78 0.25 -2.24 0.02 0.00 0.00 177.57 176.43 3icr h ASP 402 N -0.11 0.92 -0.30 0.57 2.03 -1.95 -2.89 116.42 114.69 3icr h ASP 402 Ca -0.30 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3icr h ASP 402 Cb 1.92 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 40.17 3icr h ASP 402 CO 0.13 0.83 0.20 0.50 -1.03 0.00 0.00 179.24 179.87 3icr h LYS 403 N 0.97 0.39 -1.25 4.15 3.64 -1.98 -1.20 116.57 121.29 3icr h LYS 403 Ca 0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3icr h LYS 403 Cb 0.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3icr h LYS 403 CO -0.02 0.26 0.00 0.54 -2.27 0.00 0.00 179.45 177.97 3icr n ARG 404 N -4.88 0.43 0.00 1.90 3.00 -1.09 -1.65 116.66 114.37 3icr n ARG 404 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 3icr n ARG 404 Cb 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 32.46 31.22 3icr n ARG 404 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3icr n ASP 406 N 0.64 0.00 -0.08 0.55 8.00 -0.46 -1.88 116.55 123.33 3icr n ASP 406 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3icr n ASP 406 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 3icr n ASP 406 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3icr h VAL 407 N 0.00 1.15 -0.31 2.53 2.07 -1.58 -0.89 116.25 119.22 3icr h VAL 407 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3icr h VAL 407 Cb 0.00 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3icr h VAL 407 CO 0.00 0.15 0.07 0.40 0.02 0.00 0.00 177.57 178.21 3icr h ILE 408 N 0.27 1.23 -0.55 4.57 2.04 -1.65 -0.54 117.51 122.88 3icr h ILE 408 Ca 0.09 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3icr h ILE 408 Cb 0.13 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3icr h ILE 408 CO -0.01 0.25 0.21 0.00 0.00 0.00 0.00 178.15 178.60 3icr h ALA 409 N 0.90 1.33 -0.13 1.87 0.00 -1.81 0.11 119.26 121.53 3icr h ALA 409 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3icr h ALA 409 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3icr h ALA 409 CO 0.00 0.49 0.08 1.15 0.00 0.00 0.00 179.25 180.98 3icr h THR 410 N 0.79 1.07 -0.52 0.00 2.02 -0.95 -2.32 112.91 113.00 3icr h THR 410 Ca 0.19 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3icr h THR 410 Cb 0.18 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3icr h THR 410 CO -0.02 0.07 0.29 0.00 0.37 0.00 0.00 175.52 176.23 3icr h ALA 411 N 1.00 0.66 0.00 6.16 0.00 -0.32 -0.87 119.26 125.89 3icr h ALA 411 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3icr h ALA 411 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3icr h ALA 411 CO -0.01 -0.04 -0.00 0.82 0.00 0.00 0.00 179.25 180.02 3icr h ILE 412 N 0.56 1.02 0.00 0.00 2.04 -0.74 -1.08 117.51 119.32 3icr h ILE 412 Ca 0.22 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 3icr h ILE 412 Cb 0.08 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3icr h ILE 412 CO -0.13 0.02 -0.11 0.11 0.00 0.00 0.00 178.15 178.04 3icr h LYS 413 N -0.04 0.00 -0.33 2.37 1.57 -1.24 0.08 116.57 118.98 3icr h LYS 413 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3icr h LYS 413 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3icr h LYS 413 CO 0.00 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 3icr n ALA 414 N -2.25 2.45 -2.17 3.86 0.00 -0.35 -4.92 120.51 117.14 3icr n ALA 414 Ca -0.02 -0.56 -0.20 0.00 0.00 0.00 0.00 53.44 52.66 3icr n ALA 414 Cb 0.25 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 3icr n ALA 414 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3icr n ASN 415 N 0.44 -5.68 -4.81 0.00 5.03 0.01 -5.00 115.26 105.25 3icr n ASN 415 Ca 0.11 0.12 -0.31 0.00 0.87 0.00 0.00 54.58 55.37 3icr n ASN 415 Cb 0.27 -4.77 0.04 0.00 -1.02 0.00 0.00 39.78 34.30 3icr n ASN 415 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3icr s LEU 416 N -5.49 3.23 0.47 3.41 1.43 -0.44 -5.04 118.68 116.26 3icr s LEU 416 Ca 0.00 1.68 0.07 0.00 -1.03 0.00 0.00 54.13 54.85 3icr s LEU 416 Cb 0.00 -4.51 -0.00 0.00 0.03 0.00 0.00 46.19 41.71 3icr s LEU 416 CO 0.00 -1.38 0.36 0.42 0.23 0.00 0.00 176.35 175.98 3icr s THR 417 N -2.88 2.18 0.59 5.49 -4.23 -1.26 -4.52 115.64 111.01 3icr s THR 417 Ca 0.60 -1.46 0.30 0.00 -1.18 0.00 0.00 61.69 59.94 3icr s THR 417 Cb -0.15 -2.64 0.36 0.00 1.34 0.00 0.00 72.50 71.42 3icr s THR 417 CO 0.50 0.00 2.18 -0.37 -0.54 0.00 0.00 174.62 176.39 3icr h VAL 418 N 0.97 0.48 0.00 2.29 -1.51 -1.53 -1.47 116.25 115.48 3icr h VAL 418 Ca -0.39 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.06 3icr h VAL 418 Cb 1.28 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3icr h VAL 418 CO 0.59 0.00 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.78 3icr h LEU 419 N 0.00 0.00 0.00 4.19 3.38 -1.86 -3.01 115.31 118.01 3icr h LEU 419 Ca 0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 3icr h LEU 419 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3icr h LEU 419 CO -0.00 0.09 -1.50 0.44 0.09 0.00 0.00 178.44 177.56 3icr h ASP 420 N 0.00 0.00 -0.96 -0.43 3.32 -1.65 -3.39 116.42 113.31 3icr h ASP 420 Ca -0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 3icr h ASP 420 Cb 0.56 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.01 3icr h ASP 420 CO 0.01 0.98 0.56 -0.07 -1.72 0.00 0.00 179.24 179.00 3icr h LEU 421 N 0.00 0.74 -1.62 1.55 3.38 -1.47 0.10 115.31 117.98 3icr h LEU 421 Ca -0.21 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3icr h LEU 421 Cb 1.93 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3icr h LEU 421 CO 0.09 0.31 0.00 -0.65 0.09 0.00 0.00 178.44 178.28 3icr h PRO 422 N 0.77 0.00 -0.69 1.13 0.11 -1.74 -2.83 132.00 128.75 3icr h PRO 422 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3icr h PRO 422 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3icr h PRO 422 CO -0.35 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 173.97 3icr n ASP 423 N -2.46 3.90 -4.61 -2.05 2.03 0.35 -4.87 116.55 108.84 3icr n ASP 423 Ca -0.01 -2.00 -0.43 0.00 0.52 0.00 0.00 54.79 52.87 3icr n ASP 423 Cb 0.09 -0.46 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 3icr n ASP 423 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3icr s LEU 424 N -1.05 3.81 -0.63 -2.67 1.43 -1.07 -4.98 118.68 113.53 3icr s LEU 424 Ca 0.48 0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 53.94 3icr s LEU 424 Cb 0.25 -3.46 0.05 0.00 0.03 0.00 0.00 46.19 43.06 3icr s LEU 424 CO 0.33 -1.07 0.99 -0.70 0.23 0.00 0.00 176.35 176.13 3icr s GLU 425 N 4.01 3.21 0.56 1.70 2.12 -1.26 -4.88 118.70 124.15 3icr s GLU 425 Ca 0.45 -0.54 0.07 0.00 0.36 0.00 0.00 54.97 55.31 3icr s GLU 425 Cb -0.09 -4.15 0.07 0.00 0.26 0.00 0.00 34.13 30.22 3icr s GLU 425 CO 0.25 -1.72 0.62 1.28 -0.54 0.00 0.00 175.26 175.14 3icr n LEU 426 N 7.80 0.00 -4.61 2.70 4.77 -1.26 -5.06 117.00 121.34 3icr n LEU 426 Ca -0.01 -2.62 -0.43 0.00 -0.03 0.00 0.00 56.01 52.92 3icr n LEU 426 Cb 0.47 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3icr n LEU 426 CO 0.65 -0.65 0.83 -0.44 -1.33 0.00 0.00 177.39 176.45 3icr s SER 427 N -4.38 6.73 -0.25 -1.43 0.01 -1.26 -5.01 113.70 108.11 3icr s SER 427 Ca 0.47 0.66 0.01 0.00 1.31 0.00 0.00 55.95 58.40 3icr s SER 427 Cb -0.04 -2.49 0.05 0.00 0.21 0.00 0.00 66.02 63.75 3icr s SER 427 CO 0.30 -0.91 -0.10 -0.47 0.41 0.00 0.00 173.24 172.47 3icr s TYR 428 N 3.63 3.16 0.11 2.43 6.04 -1.26 -4.35 117.35 127.12 3icr s TYR 428 Ca 0.41 -2.04 -0.01 0.00 0.04 0.00 0.00 57.07 55.47 3icr s TYR 428 Cb -0.11 -1.97 -0.04 0.00 -1.04 0.00 0.00 41.96 38.79 3icr s TYR 428 CO 0.20 -0.84 0.03 0.00 -1.54 0.00 0.00 175.55 173.40 3icr s ALA 429 N 1.19 0.82 0.31 3.97 0.00 -1.26 -4.99 121.76 121.79 3icr s ALA 429 Ca -0.05 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 50.57 3icr s ALA 429 Cb -0.18 0.71 0.86 0.00 0.00 0.00 0.00 23.12 24.50 3icr s ALA 429 CO -0.06 -0.45 1.69 -1.35 0.00 0.00 0.00 175.76 175.59 3icr h PRO 430 N 2.92 0.39 0.00 0.00 0.11 -1.98 -1.14 132.00 132.30 3icr h PRO 430 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3icr h PRO 430 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3icr h PRO 430 CO 0.61 0.26 0.00 -1.35 -0.21 0.00 0.00 178.00 177.30 3icr h PRO 431 N 0.40 0.00 0.00 1.05 0.11 -1.97 -3.30 132.00 128.29 3icr h PRO 431 Ca 0.63 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.65 3icr h PRO 431 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3icr h PRO 431 CO -0.55 0.00 -1.32 0.66 -0.21 0.00 0.00 178.00 176.57 3icr n TYR 432 N -2.51 0.00 -2.51 0.65 4.01 -0.45 -4.82 117.16 111.53 3icr n TYR 432 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3icr n TYR 432 Cb 0.20 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 3icr n TYR 432 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3icr n SER 433 N -2.37 0.00 -4.50 7.72 2.88 -1.09 -4.57 113.62 111.68 3icr n SER 433 Ca -0.09 -0.38 -0.24 0.00 -1.33 0.00 0.00 58.87 56.84 3icr n SER 433 Cb 0.63 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.99 3icr n SER 433 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3icr s SER 434 N 0.87 2.97 0.41 -3.46 0.01 -1.26 -1.13 113.70 112.11 3icr s SER 434 Ca 0.00 -1.32 0.15 0.00 1.31 0.00 0.00 55.95 56.09 3icr s SER 434 Cb 0.00 -0.21 1.02 0.00 0.21 0.00 0.00 66.02 67.04 3icr s SER 434 CO 0.00 -0.48 1.89 0.00 0.41 0.00 0.00 173.24 175.06 3icr h ALA 435 N 2.05 2.09 -3.59 1.44 0.00 -1.97 -3.20 119.26 116.08 3icr h ALA 435 Ca -0.42 0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.83 3icr h ALA 435 Cb 1.24 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.61 3icr h ALA 435 CO 0.72 -0.33 -0.80 0.15 0.00 0.00 0.00 179.25 179.00 3icr s LYS 436 N -5.47 2.49 0.70 0.00 1.02 -1.26 -5.05 119.74 112.16 3icr s LYS 436 Ca -0.08 -1.19 -0.16 0.00 0.02 0.00 0.00 55.97 54.55 3icr s LYS 436 Cb 0.22 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 3icr s LYS 436 CO 0.78 -0.48 1.25 0.34 -0.92 0.00 0.00 175.35 176.31 3icr s ASP 437 N 1.18 4.35 0.41 2.83 2.15 -1.21 -4.85 116.67 121.54 3icr s ASP 437 Ca -0.05 2.48 0.27 0.00 0.43 0.00 0.00 52.55 55.68 3icr s ASP 437 Cb -0.18 -2.60 1.38 0.00 -0.30 0.00 0.00 42.92 41.22 3icr s ASP 437 CO -0.06 -2.16 1.61 -0.65 -0.17 0.00 0.00 175.17 173.74 3icr h PRO 438 N 0.07 0.08 -0.27 4.34 0.11 -1.92 -0.55 132.00 133.87 3icr h PRO 438 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3icr h PRO 438 Cb 1.31 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3icr h PRO 438 CO 0.51 0.05 -0.04 0.28 -0.21 0.00 0.00 178.00 178.60 3icr h VAL 439 N 0.08 1.27 0.00 3.15 2.07 -1.94 -1.60 116.25 119.29 3icr h VAL 439 Ca 0.83 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3icr h VAL 439 Cb 2.44 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.62 3icr h VAL 439 CO -0.52 0.32 0.00 0.59 0.02 0.00 0.00 177.57 177.98 3icr n ASN 440 N -4.56 0.00 0.00 0.57 5.03 -0.21 -1.86 115.26 114.22 3icr n ASN 440 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 3icr n ASN 440 Cb 0.28 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 3icr n ASN 440 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3icr n VAL 442 N 0.68 0.00 -0.03 2.41 3.14 -0.60 -0.75 118.33 123.17 3icr n VAL 442 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 3icr n VAL 442 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 3icr n VAL 442 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3icr h GLY 443 N 0.00 0.24 0.87 7.55 0.00 -1.63 -1.88 103.07 108.21 3icr h GLY 443 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.25 3icr h GLY 443 CO 0.00 0.10 0.15 -0.97 0.00 0.00 0.00 176.54 175.82 3icr h TYR 444 N 0.19 0.29 -0.80 5.60 0.05 -1.22 0.12 116.97 121.19 3icr h TYR 444 Ca 0.06 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.86 3icr h TYR 444 Cb 0.03 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 3icr h TYR 444 CO -0.05 0.16 0.53 0.00 -1.05 0.00 0.00 178.16 177.75 3icr h ALA 445 N 1.16 1.02 -0.24 3.88 0.00 -1.81 -0.14 119.26 123.13 3icr h ALA 445 Ca 0.13 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3icr h ALA 445 Cb 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3icr h ALA 445 CO -0.08 0.43 -0.54 0.00 0.00 0.00 0.00 179.25 179.05 3icr h ALA 446 N 1.30 0.60 -0.30 0.00 0.00 -1.11 -3.07 119.26 116.67 3icr h ALA 446 Ca 0.30 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3icr h ALA 446 Cb -0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3icr h ALA 446 CO -0.07 0.68 -0.19 0.77 0.00 0.00 0.00 179.25 180.45 3icr h SER 447 N 0.55 0.54 -0.14 0.00 0.02 -0.16 -1.80 113.55 112.57 3icr h SER 447 Ca 0.01 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 3icr h SER 447 Cb 1.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3icr h SER 447 CO 0.11 0.74 0.00 0.78 -1.14 0.00 0.00 176.83 177.32 3icr h ASN 448 N 0.49 0.32 0.09 3.07 2.35 -0.95 -0.21 115.58 120.74 3icr h ASN 448 Ca 0.08 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3icr h ASN 448 Cb 0.60 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3icr h ASN 448 CO 0.04 0.38 -0.05 0.40 -1.65 0.00 0.00 177.43 176.55 3icr h ILE 449 N 0.34 1.14 -0.75 2.81 2.04 -1.36 0.79 117.51 122.53 3icr h ILE 449 Ca 0.08 -1.09 0.13 0.00 1.00 0.00 0.00 64.86 64.97 3icr h ILE 449 Cb 0.23 1.82 -0.09 0.00 -0.74 0.00 0.00 36.82 38.04 3icr h ILE 449 CO 0.00 0.26 0.34 0.58 0.00 0.00 0.00 178.15 179.33 3icr h VAL 450 N -0.65 0.73 -0.14 1.67 2.07 -1.16 -2.36 116.25 116.42 3icr h VAL 450 Ca -0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3icr h VAL 450 Cb 0.52 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3icr h VAL 450 CO 0.02 0.10 0.00 0.47 0.02 0.00 0.00 177.57 178.18 3icr n ASP 451 N -4.93 1.62 -0.07 0.57 8.00 -0.11 -4.89 116.55 116.74 3icr n ASP 451 Ca 0.14 -1.67 -0.01 0.00 0.71 0.00 0.00 54.79 53.96 3icr n ASP 451 Cb 0.37 -0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3icr n ASP 451 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3icr n GLY 452 N 1.14 0.49 0.18 0.44 0.00 -0.89 -4.92 105.19 101.63 3icr n GLY 452 Ca 0.17 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.64 3icr n GLY 452 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3icr h PHE 453 N 0.00 0.00 -3.37 1.61 0.04 -1.12 -3.45 116.94 110.65 3icr h PHE 453 Ca -0.02 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.61 3icr h PHE 453 Cb 0.09 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.03 3icr h PHE 453 CO 0.05 0.33 -0.44 0.54 -0.60 0.00 0.00 178.31 178.19 3icr s VAL 454 N -3.24 0.07 0.11 -0.55 0.11 -1.08 -4.76 120.40 111.05 3icr s VAL 454 Ca 0.03 -0.56 0.09 0.00 -2.93 0.00 0.00 61.98 58.62 3icr s VAL 454 Cb 0.08 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3icr s VAL 454 CO 0.70 -0.31 -0.22 -0.62 -3.33 0.00 0.00 175.10 171.32 3icr s ASP 455 N -1.18 3.63 0.06 3.54 2.15 -1.26 -4.28 116.67 119.33 3icr s ASP 455 Ca -0.13 -0.61 -0.01 0.00 0.43 0.00 0.00 52.55 52.23 3icr s ASP 455 Cb -0.06 -0.42 -0.04 0.00 -0.30 0.00 0.00 42.92 42.09 3icr s ASP 455 CO 0.02 0.19 -0.03 0.42 -0.17 0.00 0.00 175.17 175.61 3icr s THR 456 N -1.07 0.25 0.26 1.71 -4.23 -1.26 -1.13 115.64 110.17 3icr s THR 456 Ca 0.16 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 3icr s THR 456 Cb -0.10 -1.57 -0.06 0.00 1.34 0.00 0.00 72.50 72.11 3icr s THR 456 CO 0.08 -0.95 -0.04 0.68 -0.54 0.00 0.00 174.62 173.85 3icr s VAL 457 N -3.90 1.40 0.33 2.29 -7.23 -0.26 -4.86 120.40 108.17 3icr s VAL 457 Ca 0.09 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3icr s VAL 457 Cb 0.08 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 3icr s VAL 457 CO -0.09 -0.32 0.48 -1.10 -0.31 0.00 0.00 175.10 173.77 3icr s GLN 458 N -3.78 3.25 0.37 4.82 -1.52 -1.26 -0.96 119.66 120.57 3icr s GLN 458 Ca 0.29 -0.76 0.16 0.00 -1.95 0.00 0.00 55.36 53.09 3icr s GLN 458 Cb 0.04 -2.78 1.05 0.00 -0.22 0.00 0.00 33.01 31.11 3icr s GLN 458 CO 0.10 0.12 1.74 0.11 -0.25 0.00 0.00 175.29 177.11 3icr h TRP 459 N 0.87 0.79 -0.00 0.91 5.08 -1.96 -1.45 115.95 120.18 3icr h TRP 459 Ca -0.48 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3icr h TRP 459 Cb 1.24 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 27.18 3icr h TRP 459 CO 0.45 0.03 -0.08 -2.39 -1.28 0.00 0.00 178.44 175.17 3icr n HIS 460 N -4.75 0.00 -0.08 0.12 1.44 -1.26 -3.85 115.22 106.84 3icr n HIS 460 Ca 0.27 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.89 3icr n HIS 460 Cb 0.88 -0.16 -0.12 0.00 0.12 0.00 0.00 29.99 30.70 3icr n HIS 460 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3icr n GLU 461 N -0.93 1.19 -0.27 -1.40 1.02 -0.57 -4.77 120.64 114.91 3icr n GLU 461 Ca 0.16 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.30 3icr n GLU 461 Cb 0.26 -1.41 0.18 0.00 -0.02 0.00 0.00 31.44 30.44 3icr n GLU 461 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3icr h ILE 462 N 0.00 1.23 -0.24 -3.67 6.09 -1.59 -1.82 117.51 117.51 3icr h ILE 462 Ca -0.44 -0.49 -0.01 0.00 -1.37 0.00 0.00 64.86 62.55 3icr h ILE 462 Cb 1.94 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 39.28 3icr h ILE 462 CO 0.00 0.24 0.11 0.44 -3.07 0.00 0.00 178.15 175.87 3icr h ASP 463 N 1.13 0.31 -0.60 2.19 3.32 -1.86 -0.79 116.42 120.12 3icr h ASP 463 Ca 0.30 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3icr h ASP 463 Cb -0.05 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3icr h ASP 463 CO -0.06 0.34 0.39 -0.09 -1.72 0.00 0.00 179.24 178.11 3icr h ARG 464 N 0.25 0.76 -0.21 3.56 2.43 -1.81 -0.70 114.38 118.66 3icr h ARG 464 Ca 0.08 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3icr h ARG 464 Cb 0.12 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3icr h ARG 464 CO -0.01 0.51 -0.00 0.82 -1.51 0.00 0.00 179.97 179.77 3icr h ILE 465 N 0.79 0.85 -0.78 1.20 2.04 -1.00 -1.74 117.51 118.86 3icr h ILE 465 Ca 0.22 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 3icr h ILE 465 Cb -0.06 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3icr h ILE 465 CO -0.06 0.01 0.43 0.58 0.00 0.00 0.00 178.15 179.11 3icr h VAL 466 N 0.06 1.23 -0.00 1.67 2.07 -0.84 -1.22 116.25 119.22 3icr h VAL 466 Ca 0.10 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3icr h VAL 466 Cb 0.13 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3icr h VAL 466 CO -0.17 0.26 0.00 -0.33 0.02 0.00 0.00 177.57 177.34 3icr h GLU 467 N 1.08 0.00 -0.87 1.57 5.08 -0.78 -3.21 114.58 117.44 3icr h GLU 467 Ca 0.27 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.04 3icr h GLU 467 Cb 0.03 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.89 3icr h GLU 467 CO -0.04 0.00 -0.28 0.09 -1.00 0.00 0.00 179.01 177.78 3icr n ASN 468 N -4.14 5.80 0.00 1.42 3.02 -0.53 -4.93 115.26 115.89 3icr n ASN 468 Ca -0.03 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 3icr n ASN 468 Cb 0.08 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3icr n ASN 468 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3icr n GLY 469 N -0.76 0.52 3.76 7.41 0.00 -1.17 -4.98 105.19 109.97 3icr n GLY 469 Ca 0.50 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 3icr n GLY 469 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3icr s GLY 470 N -1.40 2.97 -0.38 -0.02 0.00 -0.77 -4.69 107.32 103.02 3icr s GLY 470 Ca 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 44.72 45.66 3icr s GLY 470 CO 0.00 1.74 0.25 -0.47 0.00 0.00 0.00 173.10 174.62 3icr s TYR 471 N -0.98 3.24 -0.30 1.90 5.04 -0.80 -4.59 117.35 120.86 3icr s TYR 471 Ca 0.48 -0.67 -0.12 0.00 -2.44 0.00 0.00 57.07 54.32 3icr s TYR 471 Cb -0.36 -2.50 -0.04 0.00 0.35 0.00 0.00 41.96 39.41 3icr s TYR 471 CO 0.46 -0.57 0.21 -1.17 -1.34 0.00 0.00 175.55 173.13 3icr s LEU 472 N 1.64 4.21 -0.21 6.97 2.96 -1.26 -0.33 118.68 132.65 3icr s LEU 472 Ca 0.04 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3icr s LEU 472 Cb -0.19 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3icr s LEU 472 CO 0.09 -0.12 0.05 -0.63 -1.32 0.00 0.00 176.35 174.41 3icr s ILE 473 N 1.74 4.33 -0.38 6.68 1.01 0.65 -1.08 121.20 134.15 3icr s ILE 473 Ca 0.07 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 3icr s ILE 473 Cb -0.17 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.33 3icr s ILE 473 CO 0.11 0.40 0.71 -0.62 0.00 0.00 0.00 174.94 175.53 3icr s ASP 474 N 1.07 6.46 -0.06 3.58 3.68 -0.04 -1.14 116.67 130.21 3icr s ASP 474 Ca 0.03 0.13 0.16 0.00 2.13 0.00 0.00 52.55 55.01 3icr s ASP 474 Cb -0.14 -2.36 0.58 0.00 -1.45 0.00 0.00 42.92 39.55 3icr s ASP 474 CO 0.03 -0.71 1.47 1.33 0.13 0.00 0.00 175.17 177.42 3icr n VAL 475 N 5.76 1.27 -1.29 1.11 0.24 -0.07 -1.45 118.33 123.90 3icr n VAL 475 Ca 0.01 -0.91 -0.32 0.00 -2.04 0.00 0.00 64.34 61.07 3icr n VAL 475 Cb 0.48 0.17 0.10 0.00 -1.47 0.00 0.00 33.84 33.12 3icr n VAL 475 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3icr s ARG 476 N -1.59 2.09 0.40 7.34 0.52 -1.26 -0.54 118.95 125.91 3icr s ARG 476 Ca 0.42 1.42 -0.26 0.00 -0.52 0.00 0.00 55.73 56.78 3icr s ARG 476 Cb 0.25 -1.86 -0.09 0.00 0.52 0.00 0.00 34.95 33.78 3icr s ARG 476 CO 0.23 -1.80 1.23 -1.21 0.02 0.00 0.00 175.30 173.77 3icr s GLU 477 N -4.47 4.02 0.43 3.54 2.02 -1.26 -3.96 118.70 119.02 3icr s GLU 477 Ca 0.66 1.99 0.19 0.00 0.02 0.00 0.00 54.97 57.83 3icr s GLU 477 Cb -0.21 -2.72 1.12 0.00 0.10 0.00 0.00 34.13 32.41 3icr s GLU 477 CO 0.51 -0.39 1.85 -1.35 0.02 0.00 0.00 175.26 175.90 3icr h PRO 478 N 2.68 0.36 -0.93 0.39 0.11 -1.98 0.45 132.00 133.08 3icr h PRO 478 Ca -0.49 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.74 3icr h PRO 478 Cb 1.24 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3icr h PRO 478 CO 0.63 0.24 0.59 -2.95 -0.21 0.00 0.00 178.00 176.30 3icr h ASN 479 N 0.37 0.73 0.14 -2.05 7.08 -2.04 -2.20 115.58 117.62 3icr h ASN 479 Ca 0.47 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.74 3icr h ASN 479 Cb 1.22 -0.10 0.00 0.00 -2.08 0.00 0.00 38.32 37.36 3icr h ASN 479 CO -0.17 0.37 0.00 -0.62 -2.08 0.00 0.00 177.43 174.93 3icr n GLU 480 N -4.59 0.52 -0.04 4.14 1.02 0.15 -3.39 120.64 118.46 3icr n GLU 480 Ca 0.18 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.39 3icr n GLU 480 Cb 0.45 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.53 3icr n GLU 480 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3icr n LEU 481 N -1.11 0.45 -0.37 -4.62 4.77 -0.83 -4.26 117.00 111.03 3icr n LEU 481 Ca 0.14 -0.21 0.02 0.00 -0.03 0.00 0.00 56.01 55.93 3icr n LEU 481 Cb 0.11 -0.05 0.17 0.00 -2.33 0.00 0.00 43.42 41.32 3icr n LEU 481 CO 0.13 0.11 1.27 0.11 -1.33 0.00 0.00 177.39 177.68 3icr h LYS 482 N 0.51 1.15 -0.18 3.23 1.57 -1.80 -1.28 116.57 119.78 3icr h LYS 482 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3icr h LYS 482 Cb 0.12 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3icr h LYS 482 CO 0.00 0.76 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 3icr n GLN 483 N -4.50 1.75 0.00 3.15 0.00 -1.26 -5.14 117.38 111.37 3icr n GLN 483 Ca 0.15 -1.12 0.00 0.00 0.00 0.00 0.00 57.00 56.03 3icr n GLN 483 Cb 0.18 -1.39 0.00 0.00 0.00 0.00 0.00 30.24 29.03 3icr n GLN 483 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3icr n GLY 484 N 1.13 0.13 3.79 2.61 0.00 -0.49 -4.94 105.19 107.43 3icr n GLY 484 Ca 0.16 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 3icr n GLY 484 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3icr s ILE 486 N 0.00 4.77 0.22 -0.61 1.01 -1.26 -4.79 121.20 120.54 3icr s ILE 486 Ca 0.00 1.28 -0.32 0.00 0.00 0.00 0.00 60.65 61.61 3icr s ILE 486 Cb 0.00 -3.94 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 3icr s ILE 486 CO 0.00 0.49 1.39 1.17 0.00 0.00 0.00 174.94 177.99 3icr n LYS 487 N 2.14 1.90 -0.71 2.79 4.81 -1.26 -2.17 118.16 125.66 3icr n LYS 487 Ca -0.08 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3icr n LYS 487 Cb 0.51 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.23 3icr n LYS 487 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3icr n GLY 488 N 2.26 0.80 3.77 3.14 0.00 -1.26 -5.00 105.19 108.90 3icr n GLY 488 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3icr n GLY 488 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3icr s SER 489 N -2.73 6.29 -0.16 1.61 0.01 -0.92 -4.50 113.70 113.30 3icr s SER 489 Ca 0.00 2.55 0.01 0.00 1.31 0.00 0.00 55.95 59.83 3icr s SER 489 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 3icr s SER 489 CO 0.00 -0.85 -0.20 -0.63 0.41 0.00 0.00 173.24 171.97 3icr s ILE 490 N -1.32 2.00 -0.34 1.44 1.01 -0.24 -4.91 121.20 118.83 3icr s ILE 490 Ca 0.58 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 3icr s ILE 490 Cb -0.36 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3icr s ILE 490 CO 0.45 0.53 1.10 0.21 0.00 0.00 0.00 174.94 177.23 3icr s ASN 491 N 1.16 6.87 -0.32 3.58 3.04 -1.26 -0.86 114.94 127.16 3icr s ASN 491 Ca 0.01 0.98 -0.01 0.00 0.04 0.00 0.00 52.86 53.88 3icr s ASN 491 Cb -0.14 -2.54 0.10 0.00 -1.54 0.00 0.00 41.25 37.13 3icr s ASN 491 CO -0.09 -0.95 0.11 -0.63 -3.04 0.00 0.00 177.10 172.50 3icr s ILE 492 N 3.82 0.84 0.34 -5.21 1.01 -0.53 -4.95 121.20 116.52 3icr s ILE 492 Ca 0.46 -1.43 -0.27 0.00 0.00 0.00 0.00 60.65 59.42 3icr s ILE 492 Cb -0.12 -1.64 -0.12 0.00 0.01 0.00 0.00 42.46 40.59 3icr s ILE 492 CO 0.18 -0.70 1.11 -2.65 0.00 0.00 0.00 174.94 172.88 3icr n PRO 493 N 4.79 1.62 -0.24 2.79 -0.02 -1.25 -4.07 135.00 138.62 3icr n PRO 493 Ca -0.01 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.05 3icr n PRO 493 Cb 0.42 -2.07 0.10 0.00 -0.02 0.00 0.00 33.50 31.92 3icr n PRO 493 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3icr h LEU 494 N 2.06 -0.56 0.00 2.45 5.85 -1.06 -0.12 115.31 123.92 3icr h LEU 494 Ca -0.43 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3icr h LEU 494 Cb 1.32 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.76 3icr h LEU 494 CO 0.60 -0.22 0.00 0.47 -0.34 0.00 0.00 178.44 178.96 3icr n ASP 495 N -5.43 0.00 -0.01 1.25 8.00 -1.26 -1.24 116.55 117.86 3icr n ASP 495 Ca 0.10 0.48 0.11 0.00 0.71 0.00 0.00 54.79 56.19 3icr n ASP 495 Cb 0.39 -0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 40.84 3icr n ASP 495 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3icr n GLU 496 N -1.49 0.59 -0.22 -1.24 1.02 -0.13 -4.74 120.64 114.43 3icr n GLU 496 Ca 0.03 -0.17 -0.02 0.00 -0.02 0.00 0.00 57.16 56.99 3icr n GLU 496 Cb 0.15 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.16 3icr n GLU 496 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3icr h LEU 497 N 0.00 0.47 -1.38 -4.62 5.85 -0.39 -1.56 115.31 113.68 3icr h LEU 497 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3icr h LEU 497 Cb 0.91 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3icr h LEU 497 CO 0.00 0.30 0.31 -0.09 -0.34 0.00 0.00 178.44 178.63 3icr h ARG 498 N 0.61 0.73 0.00 1.25 2.43 -1.85 -1.03 114.38 116.52 3icr h ARG 498 Ca 0.29 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3icr h ARG 498 Cb 0.22 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3icr h ARG 498 CO -0.20 0.52 0.00 -0.44 -1.51 0.00 0.00 179.97 178.34 3icr h ASP 499 N 0.75 0.00 -0.17 -3.80 3.32 -1.64 -3.30 116.42 111.58 3icr h ASP 499 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3icr h ASP 499 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3icr h ASP 499 CO -0.04 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.02 3icr n ARG 500 N -2.35 2.42 -0.27 3.56 1.74 -0.47 -4.75 116.66 116.54 3icr n ARG 500 Ca 0.05 -2.52 0.28 0.00 -0.77 0.00 0.00 57.85 54.89 3icr n ARG 500 Cb 0.43 -1.58 0.65 0.00 -1.02 0.00 0.00 32.46 30.95 3icr n ARG 500 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3icr h LEU 501 N 1.10 0.17 -2.11 0.55 3.38 -1.43 0.13 115.31 117.10 3icr h LEU 501 Ca 0.00 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3icr h LEU 501 Cb 1.12 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3icr h LEU 501 CO 0.10 0.04 0.18 -0.33 0.09 0.00 0.00 178.44 178.52 3icr h GLU 502 N 0.15 0.00 0.00 1.13 5.08 -1.89 -1.74 114.58 117.32 3icr h GLU 502 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3icr h GLU 502 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3icr h GLU 502 CO -0.10 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.84 3icr h GLU 503 N 0.00 0.00 -5.76 2.33 5.08 -1.14 -3.43 114.58 111.66 3icr h GLU 503 Ca 0.10 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.87 3icr h GLU 503 Cb 0.46 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.62 3icr h GLU 503 CO -0.00 0.00 0.39 0.08 -1.00 0.00 0.00 179.01 178.48 3icr s VAL 504 N -3.27 4.88 0.12 3.13 1.01 -0.65 -5.03 120.40 120.59 3icr s VAL 504 Ca 0.07 1.49 -0.31 0.00 0.00 0.00 0.00 61.98 63.22 3icr s VAL 504 Cb 0.10 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3icr s VAL 504 CO 0.54 -0.03 1.51 -2.84 0.00 0.00 0.00 175.10 174.28 3icr s PRO 505 N 2.62 4.25 0.17 2.72 0.02 -1.26 -4.92 135.00 138.59 3icr s PRO 505 Ca 0.34 2.24 0.23 0.00 0.02 0.00 0.00 61.00 63.83 3icr s PRO 505 Cb -0.16 -3.28 0.20 0.00 0.02 0.00 0.00 34.50 31.29 3icr s PRO 505 CO 0.08 -0.57 1.22 0.28 -0.33 0.00 0.00 177.00 177.68 3icr h VAL 506 N 4.27 0.00 -0.27 3.83 2.07 -1.95 -3.30 116.25 120.90 3icr h VAL 506 Ca -0.42 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3icr h VAL 506 Cb 1.20 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3icr h VAL 506 CO 0.90 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.59 3icr n ASP 507 N -2.38 2.84 -4.70 0.57 5.75 -1.26 -4.86 116.55 112.51 3icr n ASP 507 Ca 0.02 -1.90 -0.25 0.00 -0.01 0.00 0.00 54.79 52.65 3icr n ASP 507 Cb 0.49 -0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 3icr n ASP 507 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3icr s LYS 508 N -1.66 2.52 -0.01 0.11 1.02 -1.25 -5.10 119.74 115.38 3icr s LYS 508 Ca 0.36 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 3icr s LYS 508 Cb 0.21 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 3icr s LYS 508 CO 0.30 0.42 1.18 -0.51 -0.92 0.00 0.00 175.35 175.82 3icr s ASP 509 N -3.35 7.09 -0.16 2.83 1.01 -1.26 -4.58 116.67 118.25 3icr s ASP 509 Ca 0.30 1.87 -0.08 0.00 0.71 0.00 0.00 52.55 55.35 3icr s ASP 509 Cb -0.08 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3icr s ASP 509 CO 0.21 -0.51 0.12 -0.63 0.21 0.00 0.00 175.17 174.57 3icr s ILE 510 N 1.69 5.34 -0.03 0.77 -1.09 0.51 -1.90 121.20 126.49 3icr s ILE 510 Ca 0.56 0.16 0.07 0.00 -2.23 0.00 0.00 60.65 59.21 3icr s ILE 510 Cb -0.26 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 3icr s ILE 510 CO 0.25 0.53 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.93 3icr s TYR 511 N -0.30 2.39 -0.06 3.97 1.51 0.55 -1.19 117.35 124.23 3icr s TYR 511 Ca 0.11 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 3icr s TYR 511 Cb -0.12 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3icr s TYR 511 CO 0.01 -0.04 -0.23 0.42 -1.11 0.00 0.00 175.55 174.60 3icr s ILE 512 N -0.56 1.90 0.03 2.71 -1.09 -0.33 -0.25 121.20 123.60 3icr s ILE 512 Ca 0.08 -0.98 0.05 0.00 -2.23 0.00 0.00 60.65 57.58 3icr s ILE 512 Cb -0.11 -1.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.14 3icr s ILE 512 CO -0.00 0.53 -0.14 0.28 -1.23 0.00 0.00 174.94 174.38 3icr s THR 513 N -0.09 1.11 0.00 2.92 -1.32 -0.29 -0.20 115.64 117.76 3icr s THR 513 Ca -0.04 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 3icr s THR 513 Cb -0.13 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 3icr s THR 513 CO 0.04 0.05 0.00 0.00 -2.21 0.00 0.00 174.62 172.50 3icr h GLN 515 N 0.00 0.00 0.00 0.00 5.75 -1.92 0.20 115.11 119.14 3icr h GLN 515 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3icr h GLN 515 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3icr h GLN 515 CO 0.00 0.11 -1.15 1.28 -2.65 0.00 0.00 178.83 176.42 3icr n LEU 516 N -4.62 0.49 0.00 -2.39 4.77 -1.26 -1.64 117.00 112.35 3icr n LEU 516 Ca -0.09 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3icr n LEU 516 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3icr n LEU 516 CO 0.10 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3icr n GLY 517 N 1.44 1.19 0.00 -0.72 0.00 -1.26 -4.11 105.19 101.73 3icr n GLY 517 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3icr n GLY 517 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3icr n ARG 519 N -0.03 0.00 -0.11 1.61 1.74 -1.26 -1.46 116.66 117.15 3icr n ARG 519 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3icr n ARG 519 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 3icr n ARG 519 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3icr h GLY 520 N 0.00 0.97 0.97 -0.13 0.00 -1.92 -1.97 103.07 100.98 3icr h GLY 520 Ca 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 46.34 3icr h GLY 520 CO 0.00 0.86 0.17 -1.82 0.00 0.00 0.00 176.54 175.75 3icr h TYR 521 N 0.74 0.80 -0.59 5.60 3.20 -1.62 -0.71 116.97 124.38 3icr h TYR 521 Ca 0.07 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3icr h TYR 521 Cb 0.93 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3icr h TYR 521 CO 0.06 0.69 0.39 0.28 -1.64 0.00 0.00 178.16 177.93 3icr h VAL 522 N 0.68 1.14 -0.61 1.81 2.07 -1.83 0.17 116.25 119.67 3icr h VAL 522 Ca 0.16 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3icr h VAL 522 Cb 0.25 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3icr h VAL 522 CO -0.01 0.14 0.23 0.00 0.02 0.00 0.00 177.57 177.96 3icr h ALA 523 N 1.23 0.79 -0.69 1.67 0.00 -1.24 -2.92 119.26 118.10 3icr h ALA 523 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3icr h ALA 523 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3icr h ALA 523 CO -0.06 0.42 0.39 0.00 0.00 0.00 0.00 179.25 180.00 3icr h ALA 524 N 1.09 0.88 0.00 0.00 0.00 -0.64 -0.93 119.26 119.65 3icr h ALA 524 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3icr h ALA 524 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3icr h ALA 524 CO -0.01 0.38 0.00 0.54 0.00 0.00 0.00 179.25 180.16 3icr n ARG 525 N -4.52 0.00 -0.46 0.00 5.12 0.00 -4.60 116.66 112.21 3icr n ARG 525 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3icr n ARG 525 Cb 0.08 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 3icr n ARG 525 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3icr n LEU 527 N 0.50 0.00 0.00 0.55 4.77 -0.36 -4.65 117.00 117.81 3icr n LEU 527 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3icr n LEU 527 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3icr n LEU 527 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3icr n GLU 529 N -0.01 0.00 -0.05 3.23 -0.58 -1.26 -1.26 120.64 120.70 3icr n GLU 529 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3icr n GLU 529 Cb 0.00 0.00 0.42 0.00 -0.57 0.00 0.00 31.44 31.29 3icr n GLU 529 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3icr n LYS 530 N 0.00 1.73 -0.34 3.49 4.76 -1.26 -4.95 118.16 121.59 3icr n LYS 530 Ca 0.00 -1.09 0.00 0.00 -2.87 0.00 0.00 58.31 54.35 3icr n LYS 530 Cb 0.00 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 3icr n LYS 530 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3icr n GLY 531 N 1.16 0.81 3.87 0.72 0.00 -0.70 -5.08 105.19 105.97 3icr n GLY 531 Ca 0.17 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3icr n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3icr s TYR 532 N -2.00 3.41 -0.35 1.61 1.51 -0.39 -5.05 117.35 116.09 3icr s TYR 532 Ca 0.00 1.00 -0.25 0.00 -1.01 0.00 0.00 57.07 56.81 3icr s TYR 532 Cb 0.00 -2.36 0.01 0.00 -0.11 0.00 0.00 41.96 39.50 3icr s TYR 532 CO 0.00 0.17 0.87 0.15 -1.11 0.00 0.00 175.55 175.62 3icr s LYS 533 N -3.01 3.87 -0.03 -0.62 -0.14 -1.26 -4.88 119.74 113.67 3icr s LYS 533 Ca 0.50 0.56 -0.05 0.00 -1.36 0.00 0.00 55.97 55.62 3icr s LYS 533 Cb -0.11 -3.78 0.01 0.00 -1.68 0.00 0.00 37.83 32.27 3icr s LYS 533 CO 0.21 -0.85 0.12 0.54 -0.76 0.00 0.00 175.35 174.61 3icr s VAL 534 N 3.26 0.04 0.04 3.17 0.11 -1.26 -0.37 120.40 125.39 3icr s VAL 534 Ca 0.35 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 3icr s VAL 534 Cb -0.13 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 3icr s VAL 534 CO 0.16 -0.17 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.11 3icr s LYS 535 N -0.54 0.79 0.05 1.54 1.02 -0.33 -4.48 119.74 117.80 3icr s LYS 535 Ca -0.06 -0.72 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 3icr s LYS 535 Cb -0.04 -0.75 -0.06 0.00 -0.52 0.00 0.00 37.83 36.45 3icr s LYS 535 CO 0.01 0.18 0.51 1.21 -0.92 0.00 0.00 175.35 176.34 3icr s ASN 536 N -1.17 6.96 -0.57 2.83 2.47 -0.28 -1.18 114.94 123.99 3icr s ASN 536 Ca -0.01 1.15 -0.28 0.00 0.42 0.00 0.00 52.86 54.14 3icr s ASN 536 Cb -0.08 -2.32 0.03 0.00 -1.45 0.00 0.00 41.25 37.43 3icr s ASN 536 CO 0.01 0.28 1.16 -0.69 -3.72 0.00 0.00 177.10 174.14 3icr s VAL 537 N -1.13 4.07 -0.17 -5.21 1.01 0.72 -1.11 120.40 118.58 3icr s VAL 537 Ca 0.28 0.84 -0.36 0.00 0.00 0.00 0.00 61.98 62.74 3icr s VAL 537 Cb -0.18 -4.70 -0.13 0.00 0.00 0.00 0.00 36.38 31.37 3icr s VAL 537 CO 0.17 -1.30 1.87 -0.67 0.00 0.00 0.00 175.10 175.17 3icr n ASP 538 N 8.30 3.04 0.00 3.32 2.03 -0.14 -1.51 116.55 131.60 3icr n ASP 538 Ca 0.08 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.34 3icr n ASP 538 Cb 0.49 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 3icr n ASP 538 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3icr n GLY 539 N 4.52 1.42 7.00 0.27 0.00 -1.25 -4.42 105.19 112.73 3icr n GLY 539 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3icr n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3icr n GLY 540 N -2.00 0.38 0.29 -0.02 0.00 -0.57 -2.89 105.19 100.38 3icr n GLY 540 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 3icr n GLY 540 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3icr h PHE 541 N 0.00 0.90 -0.49 1.61 3.57 -0.20 -2.72 116.94 119.61 3icr h PHE 541 Ca 0.00 -0.13 0.07 0.00 3.53 0.00 0.00 57.97 61.44 3icr h PHE 541 Cb 0.00 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.43 3icr h PHE 541 CO 0.00 0.82 0.15 -0.22 -2.23 0.00 0.00 178.31 176.83 3icr h LYS 542 N 0.79 0.30 -0.18 1.11 1.63 -1.43 0.27 116.57 119.07 3icr h LYS 542 Ca 0.15 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 3icr h LYS 542 Cb 0.46 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3icr h LYS 542 CO 0.02 0.20 -0.07 1.25 -3.45 0.00 0.00 179.45 177.40 3icr h LEU 543 N 0.31 0.37 -0.27 5.20 5.85 -1.52 -2.67 115.31 122.58 3icr h LEU 543 Ca 0.24 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3icr h LEU 543 Cb 0.28 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3icr h LEU 543 CO -0.27 0.69 0.04 0.22 -0.34 0.00 0.00 178.44 178.79 3icr h TYR 544 N 0.05 0.07 0.00 1.25 3.20 -1.05 -2.20 116.97 118.29 3icr h TYR 544 Ca 0.04 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3icr h TYR 544 Cb 0.54 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3icr h TYR 544 CO 0.06 0.01 -0.34 0.78 -1.64 0.00 0.00 178.16 177.03 3icr h GLY 545 N 0.14 0.00 0.83 1.82 0.00 -0.54 0.14 103.07 105.45 3icr h GLY 545 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 3icr h GLY 545 CO -0.18 0.00 -0.28 -0.84 0.00 0.00 0.00 176.54 175.25 3icr h THR 546 N 0.00 1.35 0.01 4.70 2.02 -1.08 -2.97 112.91 116.94 3icr h THR 546 Ca -0.00 -1.51 -0.27 0.00 0.77 0.00 0.00 66.41 65.40 3icr h THR 546 Cb 0.76 1.91 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 3icr h THR 546 CO 0.04 0.45 -1.47 1.62 0.37 0.00 0.00 175.52 176.54 3icr h VAL 547 N 0.13 1.15 -2.21 3.16 3.04 -1.19 -3.39 116.25 116.94 3icr h VAL 547 Ca 0.01 -2.94 -0.58 0.00 -1.01 0.00 0.00 66.70 62.18 3icr h VAL 547 Cb 0.86 2.58 -0.42 0.00 -2.01 0.00 0.00 31.29 32.30 3icr h VAL 547 CO 0.06 0.68 -0.69 0.18 -1.01 0.00 0.00 177.57 176.79 3icr n LEU 548 N -3.18 4.21 0.17 3.16 4.77 0.46 -4.92 117.00 121.66 3icr n LEU 548 Ca -0.11 -5.60 0.05 0.00 -0.03 0.00 0.00 56.01 50.31 3icr n LEU 548 Cb 1.01 -0.45 0.48 0.00 -2.33 0.00 0.00 43.42 42.13 3icr n LEU 548 CO 0.46 2.34 0.95 1.55 -1.33 0.00 0.00 177.39 181.37 3icr h PRO 549 N 2.96 0.15 0.00 3.23 0.13 -1.72 -1.27 132.00 135.48 3icr h PRO 549 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3icr h PRO 549 Cb 0.57 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3icr h PRO 549 CO 0.79 0.24 0.00 0.93 -0.23 0.00 0.00 178.00 179.74 3icr h GLU 550 N 0.15 0.00 0.00 0.86 4.39 -1.91 -2.99 114.58 115.07 3icr h GLU 550 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3icr h GLU 550 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3icr h GLU 550 CO 0.01 0.00 -0.64 0.54 -1.16 0.00 0.00 179.01 177.76 3icr n ARG 551 N -2.81 0.01 -1.68 2.33 1.74 -0.48 -4.92 116.66 110.85 3icr n ARG 551 Ca 0.01 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.65 3icr n ARG 551 Cb 0.27 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 3icr n ARG 551 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3icr n ILE 552 N -1.52 1.42 -4.61 0.55 5.41 -1.13 -4.52 119.36 114.94 3icr n ILE 552 Ca 0.05 -0.35 -0.32 0.00 1.00 0.00 0.00 62.75 63.12 3icr n ILE 552 Cb 0.34 -1.53 -0.11 0.00 -0.71 0.00 0.00 39.64 37.63 3icr n ILE 552 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3icr s VAL 553 N -0.51 3.41 -2.18 1.39 1.01 -1.26 -5.01 120.40 117.25 3icr s VAL 553 Ca 0.62 -0.76 0.17 0.00 0.00 0.00 0.00 61.98 62.02 3icr s VAL 553 Cb -0.61 -2.43 0.14 0.00 0.00 0.00 0.00 36.38 33.48 3icr s VAL 553 CO 0.55 0.47 1.05 -1.22 0.00 0.00 0.00 175.10 175.95