#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psy s GLU 2 N 0.00 1.59 -0.30 0.00 2.12 -1.26 -5.16 118.70 115.70 1psy s GLU 2 Ca 0.00 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 54.35 1psy s GLU 2 Cb 0.00 0.56 0.18 0.00 0.26 0.00 0.00 34.13 35.13 1psy s GLU 2 CO 0.00 -0.70 0.60 0.12 -0.54 0.00 0.00 175.26 174.74 1psy s PHE 3 N -3.91 -1.54 0.16 5.30 5.36 -1.26 -5.17 117.98 116.93 1psy s PHE 3 Ca 0.12 1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 57.90 1psy s PHE 3 Cb -0.03 0.61 -0.04 0.00 -0.34 0.00 0.00 43.02 43.22 1psy s PHE 3 CO 0.03 -0.83 0.11 1.41 -1.46 0.00 0.00 175.22 174.47 1psy s MET 4 N 2.86 1.06 0.31 10.12 1.75 -1.26 -5.18 119.30 128.96 1psy s MET 4 Ca 0.15 -1.50 0.05 0.00 -1.25 0.00 0.00 55.69 53.15 1psy s MET 4 Cb -0.14 0.27 -0.06 0.00 2.84 0.00 0.00 34.83 37.73 1psy s MET 4 CO -0.20 -0.33 -0.01 -1.83 -0.65 0.00 0.00 175.02 172.00 1psy s GLU 5 N -4.09 1.62 0.00 4.11 1.03 -1.26 -5.15 118.70 114.96 1psy s GLU 5 Ca 0.30 -1.86 0.00 0.00 0.03 0.00 0.00 54.97 53.44 1psy s GLU 5 Cb 0.07 -1.08 0.00 0.00 -0.80 0.00 0.00 34.13 32.32 1psy s GLU 5 CO 0.06 -0.06 0.00 -1.13 -1.33 0.00 0.00 175.26 172.80 1psy n SER 6 N -0.65 0.00 -3.42 0.83 3.41 -1.26 -5.20 113.62 107.33 1psy n SER 6 Ca -0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.51 1psy n SER 6 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1psy n SER 6 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1psy s LYS 7 N -0.37 1.68 0.00 4.33 1.02 -1.26 -5.15 119.74 119.99 1psy s LYS 7 Ca 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1psy s LYS 7 Cb 0.00 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.82 1psy s LYS 7 CO 0.00 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 1psy n GLY 8 N -0.54 -0.95 3.01 -3.33 0.00 -1.26 -5.17 105.19 96.95 1psy n GLY 8 Ca -0.06 0.87 -0.11 0.00 0.00 0.00 0.00 46.02 46.72 1psy n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1psy s GLU 9 N 0.00 0.26 0.23 1.61 2.56 -1.26 -5.17 118.70 116.93 1psy s GLU 9 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 54.97 54.61 1psy s GLU 9 Cb 0.00 0.11 0.03 0.00 2.00 0.00 0.00 34.13 36.27 1psy s GLU 9 CO 0.00 -0.05 0.64 0.50 -0.56 0.00 0.00 175.26 175.79 1psy s ARG 10 N -0.64 1.57 0.05 4.30 3.52 -1.26 -5.18 118.95 121.31 1psy s ARG 10 Ca -0.07 -0.87 -0.03 0.00 -0.13 0.00 0.00 55.73 54.63 1psy s ARG 10 Cb -0.04 0.58 -0.03 0.00 -1.56 0.00 0.00 34.95 33.90 1psy s ARG 10 CO 0.00 -0.70 0.02 -2.00 -0.81 0.00 0.00 175.30 171.82 1psy s GLU 11 N -3.88 0.57 0.58 5.12 2.56 -1.26 -5.14 118.70 117.25 1psy s GLU 11 Ca 0.09 -0.96 -0.18 0.00 0.00 0.00 0.00 54.97 53.92 1psy s GLU 11 Cb -0.03 0.21 -0.09 0.00 2.00 0.00 0.00 34.13 36.22 1psy s GLU 11 CO 0.01 -0.12 0.50 0.41 -0.56 0.00 0.00 175.26 175.49 1psy n GLY 12 N 0.53 -1.57 2.75 -1.50 0.00 -1.26 -5.00 105.19 99.15 1psy n GLY 12 Ca -0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 1psy n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1psy n SER 13 N 0.51 -3.30 -4.29 1.61 7.64 -1.26 -5.15 113.62 109.39 1psy n SER 13 Ca 0.11 -2.85 -0.29 0.00 1.01 0.00 0.00 58.87 56.85 1psy n SER 13 Cb 0.48 1.71 0.27 0.00 -1.01 0.00 0.00 64.21 65.65 1psy n SER 13 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1psy n SER 14 N 2.79 -2.26 -3.18 6.43 3.41 -1.26 -5.03 113.62 114.51 1psy n SER 14 Ca 0.17 -0.30 -0.16 0.00 -0.26 0.00 0.00 58.87 58.32 1psy n SER 14 Cb 0.57 -1.19 0.15 0.00 -0.26 0.00 0.00 64.21 63.48 1psy n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1psy n SER 15 N -4.94 -3.03 -0.28 4.04 2.88 -1.26 -4.88 113.62 106.15 1psy n SER 15 Ca 0.03 -0.45 -0.08 0.00 -1.33 0.00 0.00 58.87 57.04 1psy n SER 15 Cb 0.55 -0.56 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 1psy n SER 15 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1psy h GLN 16 N 0.00 -0.04 0.00 -1.46 5.75 -2.04 -3.37 115.11 113.96 1psy h GLN 16 Ca -0.20 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.15 1psy h GLN 16 Cb 0.69 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.11 1psy h GLN 16 CO 0.12 -0.02 -0.26 0.00 -2.65 0.00 0.00 178.83 176.02 1psy n GLN 17 N -4.65 0.94 -0.07 1.69 10.64 -1.26 -4.95 117.38 119.72 1psy n GLN 17 Ca 0.01 -1.08 -0.14 0.00 -1.83 0.00 0.00 57.00 53.96 1psy n GLN 17 Cb 0.20 0.43 -0.06 0.00 -0.86 0.00 0.00 30.24 29.95 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1psy h ARG 19 N 0.35 0.00 0.00 0.00 2.43 -1.93 0.42 114.38 115.66 1psy h ARG 19 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1psy h ARG 19 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1psy h ARG 19 CO 0.08 0.00 0.00 0.94 -1.51 0.00 0.00 179.97 179.48 1psy n GLN 20 N -3.75 0.00 0.27 0.20 7.27 -1.18 -2.81 117.38 117.38 1psy n GLN 20 Ca 0.30 0.20 0.14 0.00 0.07 0.00 0.00 57.00 57.70 1psy n GLN 20 Cb 1.55 -1.03 0.82 0.00 2.41 0.00 0.00 30.24 33.99 1psy n GLN 20 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1psy h GLU 21 N 0.00 0.00 -0.64 3.69 4.11 -1.39 -2.24 114.58 118.10 1psy h GLU 21 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1psy h GLU 21 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1psy h GLU 21 CO 0.00 0.00 0.43 0.28 0.07 0.00 0.00 179.01 179.79 1psy h VAL 22 N 0.00 1.13 0.00 -1.06 2.07 -0.31 0.42 116.25 118.50 1psy h VAL 22 Ca 0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1psy h VAL 22 Cb 0.09 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1psy h VAL 22 CO -0.00 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1psy n GLN 23 N -4.45 0.00 -0.90 1.57 -0.00 -0.84 -2.68 117.38 110.07 1psy n GLN 23 Ca 0.07 0.46 0.00 0.00 -0.00 0.00 0.00 57.00 57.54 1psy n GLN 23 Cb 0.08 -1.51 -0.00 0.00 -0.00 0.00 0.00 30.24 28.81 1psy n GLN 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1psy n ARG 24 N -1.51 0.00 0.00 2.61 1.85 0.75 -4.93 116.66 115.43 1psy n ARG 24 Ca 0.01 -1.18 0.00 0.00 -1.00 0.00 0.00 57.85 55.68 1psy n ARG 24 Cb 0.03 -0.11 0.00 0.00 -1.05 0.00 0.00 32.46 31.33 1psy n ARG 24 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1psy n LYS 25 N 0.17 0.00 0.00 2.89 4.81 0.11 -5.01 118.16 121.13 1psy n LYS 25 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1psy n LYS 25 Cb 0.82 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.87 1psy n LYS 25 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1psy n ASP 26 N -1.86 0.00 -3.59 3.14 9.92 -1.18 -4.44 116.55 118.54 1psy n ASP 26 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1psy n ASP 26 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1psy n ASP 26 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1psy n LEU 27 N 0.00 -0.25 -1.85 0.64 7.99 -1.26 -4.61 117.00 117.66 1psy n LEU 27 Ca 0.00 -0.06 -0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1psy n LEU 27 Cb 0.00 -0.63 0.02 0.00 -0.11 0.00 0.00 43.42 42.70 1psy n LEU 27 CO 0.00 -0.77 0.19 -0.24 -1.51 0.00 0.00 177.39 175.06 1psy n SER 28 N 7.01 0.34 0.00 -1.43 2.88 -1.26 -4.59 113.62 116.57 1psy n SER 28 Ca 0.53 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1psy n SER 28 Cb 0.05 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1psy n SER 28 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1psy n SER 29 N -0.14 0.00 0.14 -3.46 2.88 -1.26 -4.85 113.62 106.93 1psy n SER 29 Ca -0.05 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.36 1psy n SER 29 Cb 0.93 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.32 1psy n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1psy h GLU 31 N -0.33 0.84 -0.63 0.00 4.57 -1.90 -3.12 114.58 114.01 1psy h GLU 31 Ca -0.02 -0.45 0.08 0.00 -1.18 0.00 0.00 59.36 57.79 1psy h GLU 31 Cb 0.29 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1psy h GLU 31 CO 0.01 1.09 0.42 -0.09 -1.18 0.00 0.00 179.01 179.26 1psy h ARG 32 N 0.62 0.51 -0.57 1.92 9.65 -1.80 -1.56 114.38 123.15 1psy h ARG 32 Ca 0.05 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 59.00 1psy h ARG 32 Cb 0.96 -0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 29.34 1psy h ARG 32 CO 0.09 0.34 0.16 -0.92 2.80 0.00 0.00 179.97 182.43 1psy h TYR 33 N 0.53 0.26 0.00 2.20 3.20 0.21 0.48 116.97 123.84 1psy h TYR 33 Ca 0.28 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.05 1psy h TYR 33 Cb 0.42 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1psy h TYR 33 CO -0.00 0.02 -0.63 1.37 -1.64 0.00 0.00 178.16 177.28 1psy h LEU 34 N 0.30 0.00 -0.01 2.82 8.10 -1.40 -3.24 115.31 121.88 1psy h LEU 34 Ca 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.28 1psy h LEU 34 Cb 0.40 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.62 1psy h LEU 34 CO -0.35 0.63 -0.01 -0.09 -4.11 0.00 0.00 178.44 174.52 1psy h ARG 35 N 0.00 0.02 0.00 0.17 2.43 -0.35 -3.46 114.38 113.20 1psy h ARG 35 Ca -0.01 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1psy h ARG 35 Cb 1.21 -0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1psy h ARG 35 CO 0.08 0.44 0.14 1.04 -1.51 0.00 0.00 179.97 180.16 1psy n GLN 36 N -4.87 -0.39 -0.05 0.20 6.02 0.15 -5.05 117.38 113.40 1psy n GLN 36 Ca -0.08 -0.72 -0.20 0.00 -0.01 0.00 0.00 57.00 55.99 1psy n GLN 36 Cb 0.23 -0.45 -0.13 0.00 1.02 0.00 0.00 30.24 30.90 1psy n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1psy h SER 37 N -0.57 0.15 -0.86 1.08 0.87 -1.87 -3.47 113.55 108.88 1psy h SER 37 Ca -0.15 -0.78 0.07 0.00 -1.23 0.00 0.00 61.79 59.71 1psy h SER 37 Cb 0.41 -0.05 -0.21 0.00 -0.44 0.00 0.00 62.40 62.11 1psy h SER 37 CO 0.11 1.41 -0.30 -0.94 -0.53 0.00 0.00 176.83 176.57 1psy s SER 38 N -6.76 -1.40 0.71 6.23 1.04 -1.26 -5.00 113.70 107.26 1psy s SER 38 Ca -0.22 0.21 -0.16 0.00 0.48 0.00 0.00 55.95 56.26 1psy s SER 38 Cb 0.03 1.90 -0.13 0.00 0.10 0.00 0.00 66.02 67.92 1psy s SER 38 CO 0.69 -0.26 -0.46 -1.20 0.98 0.00 0.00 173.24 172.99 1psy n SER 39 N 5.37 -4.51 -2.71 7.02 7.64 -1.26 -5.01 113.62 120.16 1psy n SER 39 Ca 0.05 0.34 -0.04 0.00 1.01 0.00 0.00 58.87 60.23 1psy n SER 39 Cb 0.54 -0.71 0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1psy n SER 39 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1psy n ARG 40 N 1.86 0.32 -1.53 1.43 0.63 -1.26 -4.95 116.66 113.17 1psy n ARG 40 Ca 0.02 -1.33 -0.54 0.00 -0.92 0.00 0.00 57.85 55.09 1psy n ARG 40 Cb 0.47 -0.63 -0.06 0.00 0.45 0.00 0.00 32.46 32.68 1psy n ARG 40 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1psy n ARG 41 N 2.55 0.54 0.00 -0.14 0.00 -1.26 -4.97 116.66 113.37 1psy n ARG 41 Ca 0.13 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 1psy n ARG 41 Cb 0.62 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 31.41 1psy n ARG 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1psy n SER 42 N 1.92 0.00 -3.53 6.15 2.88 -1.26 -5.06 113.62 114.71 1psy n SER 42 Ca 0.18 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.43 1psy n SER 42 Cb 0.16 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.49 1psy n SER 42 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1psy s THR 43 N 0.00 0.23 0.00 2.46 -4.23 -1.26 -4.71 115.64 108.13 1psy s THR 43 Ca 0.00 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1psy s THR 43 Cb 0.00 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1psy s THR 43 CO 0.00 -0.87 0.46 0.61 -0.54 0.00 0.00 174.62 174.28 1psy n GLY 44 N 4.48 -1.26 0.00 3.99 0.00 -1.26 -5.00 105.19 106.14 1psy n GLY 44 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1psy n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1psy n GLU 45 N 0.00 0.00 -1.20 1.61 4.71 -1.26 -5.02 120.64 119.47 1psy n GLU 45 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 1psy n GLU 45 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.97 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1psy n GLU 46 N -0.49 0.00 -0.33 3.49 2.13 -1.26 -4.82 120.64 119.35 1psy n GLU 46 Ca 0.00 -1.67 0.04 0.00 0.66 0.00 0.00 57.16 56.19 1psy n GLU 46 Cb 0.00 -0.11 0.17 0.00 0.27 0.00 0.00 31.44 31.77 1psy n GLU 46 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1psy n VAL 47 N 0.34 1.00 -1.28 6.31 0.31 -1.26 -4.01 118.33 119.74 1psy n VAL 47 Ca 0.03 -0.57 -0.28 0.00 -0.01 0.00 0.00 64.34 63.51 1psy n VAL 47 Cb 1.01 -0.22 0.14 0.00 -0.91 0.00 0.00 33.84 33.85 1psy n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1psy n LEU 48 N 0.33 7.06 -4.15 7.52 -0.00 -1.26 -4.82 117.00 121.68 1psy n LEU 48 Ca 0.12 -3.90 -0.38 0.00 -0.00 0.00 0.00 56.01 51.85 1psy n LEU 48 Cb 0.56 -0.89 0.01 0.00 -0.00 0.00 0.00 43.42 43.11 1psy n LEU 48 CO 0.12 1.23 -0.73 -1.14 -0.00 0.00 0.00 177.39 176.88 1psy n ARG 49 N -1.05 0.00 -0.35 1.47 0.63 -1.26 -4.69 116.66 111.41 1psy n ARG 49 Ca 0.60 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.53 1psy n ARG 49 Cb 1.25 -0.99 0.04 0.00 0.45 0.00 0.00 32.46 33.22 1psy n ARG 49 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1psy n MET 50 N 1.62 -0.21 -0.02 -0.14 2.81 -1.26 0.28 117.12 120.20 1psy n MET 50 Ca 0.06 1.42 -0.09 0.00 -1.81 0.00 0.00 57.70 57.28 1psy n MET 50 Cb 0.48 -2.10 0.06 0.00 -0.71 0.00 0.00 33.22 30.94 1psy n MET 50 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1psy h PRO 51 N 0.00 0.64 0.00 0.03 0.13 -1.88 -3.47 132.00 127.45 1psy h PRO 51 Ca 0.32 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1psy h PRO 51 Cb 0.55 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1psy h PRO 51 CO -0.91 0.97 0.00 0.41 -0.23 0.00 0.00 178.00 178.23 1psy n GLY 52 N 0.14 1.24 0.08 1.56 0.00 0.14 -4.50 105.19 103.84 1psy n GLY 52 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1psy n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1psy h ASP 53 N 0.00 -0.25 -1.61 1.61 5.19 -1.91 -3.44 116.42 116.00 1psy h ASP 53 Ca 0.00 0.02 -0.43 0.00 -0.62 0.00 0.00 57.03 56.00 1psy h ASP 53 Cb 0.00 0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.61 1psy h ASP 53 CO 0.00 -0.10 -0.31 -1.61 -3.12 0.00 0.00 179.24 174.10 1psy s GLU 54 N -3.46 2.94 0.00 3.56 2.02 -1.26 -5.14 118.70 117.36 1psy s GLU 54 Ca -0.03 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.81 1psy s GLU 54 Cb 0.01 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1psy s GLU 54 CO 0.10 -0.11 0.00 -1.71 0.02 0.00 0.00 175.26 173.56 1psy n ASN 55 N -1.73 0.65 -3.49 -0.19 5.15 -1.26 -4.61 115.26 109.78 1psy n ASN 55 Ca 0.04 0.00 -0.50 0.00 -0.60 0.00 0.00 54.58 53.52 1psy n ASN 55 Cb 0.59 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.75 1psy n ASN 55 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1psy n GLN 56 N 0.00 0.00 -1.52 1.20 7.27 -1.26 -4.76 117.38 118.31 1psy n GLN 56 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 1psy n GLN 56 Cb 0.00 -1.17 -0.02 0.00 2.41 0.00 0.00 30.24 31.46 1psy n GLN 56 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1psy n GLN 57 N 4.76 0.86 0.00 3.69 7.27 -1.26 -4.97 117.38 127.73 1psy n GLN 57 Ca 0.35 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.73 1psy n GLN 57 Cb -0.04 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.06 1psy n GLN 57 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1psy n GLN 58 N 0.80 0.00 -0.74 3.69 6.02 -1.26 -5.05 117.38 120.84 1psy n GLN 58 Ca 0.12 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.94 1psy n GLN 58 Cb 0.30 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.50 1psy n GLN 58 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1psy n GLU 59 N -0.02 1.86 0.00 -1.09 -0.58 -1.26 -4.06 120.64 115.49 1psy n GLU 59 Ca 0.00 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.59 1psy n GLU 59 Cb 0.00 -2.19 0.00 0.00 -0.57 0.00 0.00 31.44 28.68 1psy n GLU 59 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1psy n SER 60 N 3.45 0.00 0.03 1.62 2.88 -1.26 -5.02 113.62 115.33 1psy n SER 60 Ca 0.40 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 58.08 1psy n SER 60 Cb 0.34 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.41 1psy n SER 60 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1psy h GLN 61 N 0.00 0.15 0.10 -1.46 3.07 -1.98 0.21 115.11 115.20 1psy h GLN 61 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1psy h GLN 61 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.53 1psy h GLN 61 CO 0.00 0.10 -0.05 1.96 0.09 0.00 0.00 178.83 180.93 1psy h GLN 62 N 0.16 -0.12 -0.26 0.06 1.08 -1.94 -3.19 115.11 110.89 1psy h GLN 62 Ca 0.20 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.48 1psy h GLN 62 Cb 0.59 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1psy h GLN 62 CO -0.03 0.09 0.23 -0.07 -0.95 0.00 0.00 178.83 178.10 1psy h LEU 63 N -1.01 0.00 -1.42 1.46 -0.00 -1.93 0.14 115.31 112.55 1psy h LEU 63 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1psy h LEU 63 Cb 0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.89 1psy h LEU 63 CO 0.02 0.00 0.46 -0.61 -0.00 0.00 0.00 178.44 178.32 1psy h GLN 64 N 0.00 0.67 -0.72 1.13 4.15 -0.64 0.14 115.11 119.84 1psy h GLN 64 Ca 0.12 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1psy h GLN 64 Cb 0.58 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.09 1psy h GLN 64 CO -0.00 0.45 0.19 0.37 -1.93 0.00 0.00 178.83 177.90 1psy h GLN 65 N 0.69 1.15 -0.05 1.69 4.15 -0.70 0.24 115.11 122.29 1psy h GLN 65 Ca 0.31 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1psy h GLN 65 Cb 0.32 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1psy h GLN 65 CO -0.10 1.00 -0.05 0.00 -1.93 0.00 0.00 178.83 177.75 1psy h ASN 68 N 1.33 0.38 -0.01 0.00 -1.24 -0.47 -1.86 115.58 113.71 1psy h ASN 68 Ca 0.38 -0.16 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 1psy h ASN 68 Cb -0.10 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.85 1psy h ASN 68 CO -0.10 0.73 -0.06 1.56 -1.29 0.00 0.00 177.43 178.27 1psy h GLN 69 N 0.31 0.06 0.00 6.67 1.08 0.14 -2.86 115.11 120.51 1psy h GLN 69 Ca 0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1psy h GLN 69 Cb 0.80 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1psy h GLN 69 CO 0.06 0.71 0.00 0.28 -0.95 0.00 0.00 178.83 178.94 1psy h VAL 70 N -0.57 0.00 0.00 -0.54 2.07 -0.20 -0.72 116.25 116.29 1psy h VAL 70 Ca -0.00 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1psy h VAL 70 Cb 0.72 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1psy h VAL 70 CO 0.01 0.00 -0.37 0.50 0.02 0.00 0.00 177.57 177.73 1psy h LYS 71 N 0.00 0.00 -0.50 1.57 1.63 -1.10 -2.93 116.57 115.24 1psy h LYS 71 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1psy h LYS 71 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1psy h LYS 71 CO 0.00 0.37 0.00 0.00 -3.45 0.00 0.00 179.45 176.37 1psy n GLN 72 N -3.48 2.24 -0.91 1.90 10.64 -0.28 -4.95 117.38 122.54 1psy n GLN 72 Ca 0.00 -1.71 -0.29 0.00 -1.83 0.00 0.00 57.00 53.16 1psy n GLN 72 Cb 0.53 -1.43 0.23 0.00 -0.86 0.00 0.00 30.24 28.70 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1psy s VAL 73 N -1.46 1.75 0.00 -0.39 0.11 -1.11 -4.67 120.40 114.63 1psy s VAL 73 Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1psy s VAL 73 Cb 0.17 -2.35 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1psy s VAL 73 CO 0.20 0.00 0.37 0.54 -3.33 0.00 0.00 175.10 172.88 1psy n ARG 74 N -4.74 0.00 0.00 1.54 5.12 -1.26 -4.99 116.66 112.33 1psy n ARG 74 Ca 0.08 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 1psy n ARG 74 Cb 0.58 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.79 1psy n ARG 74 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1psy n ASP 75 N -1.63 0.00 -0.17 0.55 8.00 -1.26 -4.93 116.55 117.12 1psy n ASP 75 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1psy n ASP 75 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1psy n GLU 76 N 0.00 2.51 0.00 -1.24 0.28 -1.26 -4.24 120.64 116.69 1psy n GLU 76 Ca 0.00 -0.42 0.12 0.00 -0.16 0.00 0.00 57.16 56.70 1psy n GLU 76 Cb 0.00 -1.08 0.21 0.00 1.43 0.00 0.00 31.44 32.00 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1psy h GLN 78 N 0.00 0.51 0.06 0.00 3.07 -1.89 0.17 115.11 117.02 1psy h GLN 78 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 1psy h GLN 78 Cb 0.51 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.95 1psy h GLN 78 CO 0.00 0.34 -0.03 0.00 0.09 0.00 0.00 178.83 179.23 1psy h GLU 80 N -0.19 0.00 0.00 0.00 4.57 -1.76 0.21 114.58 117.41 1psy h GLU 80 Ca -0.01 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1psy h GLU 80 Cb 0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1psy h GLU 80 CO 0.01 0.00 -0.22 0.00 -1.18 0.00 0.00 179.01 177.62 1psy h ALA 81 N 1.40 -0.29 -0.63 2.92 0.00 -0.72 -0.75 119.26 121.17 1psy h ALA 81 Ca 0.47 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.47 1psy h ALA 81 Cb 1.98 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 20.10 1psy h ALA 81 CO -0.00 -0.72 0.27 0.82 0.00 0.00 0.00 179.25 179.61 1psy h ILE 82 N -0.36 0.81 0.00 0.00 1.08 -0.50 0.63 117.51 119.17 1psy h ILE 82 Ca 0.06 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1psy h ILE 82 Cb 0.44 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1psy h ILE 82 CO -0.20 0.09 0.00 0.29 -0.69 0.00 0.00 178.15 177.63 1psy n LYS 83 N -4.95 0.07 -0.01 2.37 4.01 -0.64 -0.98 118.16 118.02 1psy n LYS 83 Ca 0.09 0.26 -0.02 0.00 -0.51 0.00 0.00 58.31 58.12 1psy n LYS 83 Cb 0.26 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.28 1psy n LYS 83 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1psy n TYR 84 N -1.32 0.00 0.19 2.13 4.19 -0.16 -4.37 117.16 117.81 1psy n TYR 84 Ca 0.03 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.36 1psy n TYR 84 Cb 0.05 -0.14 0.69 0.00 0.49 0.00 0.00 39.34 40.43 1psy n TYR 84 CO 0.00 0.00 0.00 0.97 0.91 0.00 0.00 176.86 178.74 1psy h ILE 85 N -0.27 0.86 0.00 2.97 6.09 0.20 0.71 117.51 128.07 1psy h ILE 85 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1psy h ILE 85 Cb 0.27 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1psy h ILE 85 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1psy n ALA 86 N -2.53 -0.13 0.07 0.18 0.00 -0.15 -2.88 120.51 115.06 1psy n ALA 86 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1psy n ALA 86 Cb 0.24 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.43 1psy n ALA 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1psy h GLU 87 N 0.00 0.00 0.00 0.00 4.81 -1.69 -1.93 114.58 115.77 1psy h GLU 87 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1psy h GLU 87 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1psy h GLU 87 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.81 1psy n ASP 88 N -3.84 0.00 0.00 1.04 2.03 0.25 -0.99 116.55 115.03 1psy n ASP 88 Ca 0.08 0.94 0.05 0.00 0.52 0.00 0.00 54.79 56.38 1psy n ASP 88 Cb 0.62 -0.44 0.44 0.00 -0.72 0.00 0.00 41.12 41.03 1psy n ASP 88 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1psy h GLN 89 N 0.00 0.50 -0.81 -0.67 3.07 -1.34 -0.10 115.11 115.76 1psy h GLN 89 Ca 0.00 -0.03 0.11 0.00 0.09 0.00 0.00 58.65 58.82 1psy h GLN 89 Cb 0.00 -0.11 -0.08 0.00 0.08 0.00 0.00 27.48 27.37 1psy h GLN 89 CO 0.00 0.33 0.44 0.82 0.09 0.00 0.00 178.83 180.51 1psy h ILE 90 N 0.51 0.85 0.02 1.86 2.04 -1.02 0.34 117.51 122.11 1psy h ILE 90 Ca 0.16 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1psy h ILE 90 Cb 0.02 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1psy h ILE 90 CO -0.04 0.13 -0.01 1.56 0.00 0.00 0.00 178.15 179.79 1psy h GLN 91 N 0.72 -0.02 0.37 2.37 4.20 0.43 -2.94 115.11 120.23 1psy h GLN 91 Ca 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 1psy h GLN 91 Cb 0.44 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1psy h GLN 91 CO -0.28 0.63 -0.36 0.37 -0.67 0.00 0.00 178.83 178.52 1psy h GLN 92 N -0.71 -0.72 -7.30 1.46 4.15 -0.75 -3.44 115.11 107.80 1psy h GLN 92 Ca -0.00 0.05 -0.42 0.00 0.77 0.00 0.00 58.65 59.05 1psy h GLN 92 Cb 0.66 0.16 0.19 0.00 0.21 0.00 0.00 27.48 28.71 1psy h GLN 92 CO 0.00 -0.48 0.09 0.20 -1.93 0.00 0.00 178.83 176.71 1psy s GLY 93 N -2.25 1.54 -0.04 2.39 0.00 0.12 -4.92 107.32 104.16 1psy s GLY 93 Ca -0.17 -0.76 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 1psy s GLY 93 CO 0.63 0.09 1.70 -0.18 0.00 0.00 0.00 173.10 175.34 1psy n GLN 94 N -4.84 1.10 0.00 2.90 7.27 -1.26 -4.09 117.38 118.45 1psy n GLN 94 Ca 0.11 -0.20 0.13 0.00 0.07 0.00 0.00 57.00 57.11 1psy n GLN 94 Cb 0.59 -1.08 0.36 0.00 2.41 0.00 0.00 30.24 32.52 1psy n GLN 94 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1psy n LEU 95 N 1.04 1.47 -4.78 1.69 7.99 -1.14 -4.84 117.00 118.44 1psy n LEU 95 Ca 0.04 -0.46 -0.29 0.00 -0.01 0.00 0.00 56.01 55.28 1psy n LEU 95 Cb 0.53 -0.06 0.12 0.00 -0.11 0.00 0.00 43.42 43.91 1psy n LEU 95 CO 0.05 0.26 0.71 -1.38 -1.51 0.00 0.00 177.39 175.51 1psy s HIS 96 N -2.28 2.58 0.00 -1.77 -3.43 -1.12 -0.26 115.29 109.01 1psy s HIS 96 Ca 0.29 0.97 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 1psy s HIS 96 Cb 0.20 -3.29 0.00 0.00 -1.43 0.00 0.00 32.58 28.06 1psy s HIS 96 CO 0.44 -2.21 0.00 0.41 -2.00 0.00 0.00 174.74 171.38 1psy n GLY 97 N -2.06 2.05 2.67 -1.38 0.00 -1.26 -4.25 105.19 100.96 1psy n GLY 97 Ca 0.07 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 1psy n GLY 97 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1psy n GLU 98 N 0.00 0.35 -0.77 1.61 2.13 -1.26 -4.99 120.64 117.71 1psy n GLU 98 Ca 0.00 -0.92 -0.04 0.00 0.66 0.00 0.00 57.16 56.86 1psy n GLU 98 Cb 0.00 -0.14 -0.04 0.00 0.27 0.00 0.00 31.44 31.53 1psy n GLU 98 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1psy n GLU 99 N -0.12 0.00 -0.04 5.31 0.28 -1.11 -4.92 120.64 120.04 1psy n GLU 99 Ca -0.15 -0.53 -0.21 0.00 -0.16 0.00 0.00 57.16 56.10 1psy n GLU 99 Cb 0.71 0.27 -0.13 0.00 1.43 0.00 0.00 31.44 33.72 1psy n GLU 99 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1psy n SER 100 N 0.00 2.05 0.26 -1.84 2.88 0.64 -4.08 113.62 113.54 1psy n SER 100 Ca -0.15 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1psy n SER 100 Cb 0.61 -0.81 0.70 0.00 -0.75 0.00 0.00 64.21 63.96 1psy n SER 100 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1psy h GLU 101 N -0.17 0.00 0.00 -1.46 4.81 -1.91 0.15 114.58 116.00 1psy h GLU 101 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1psy h GLU 101 Cb 1.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.26 1psy h GLU 101 CO -0.01 0.11 0.00 0.07 -0.73 0.00 0.00 179.01 178.45 1psy h ARG 102 N 0.00 0.00 0.00 1.92 -0.00 -1.93 -2.71 114.38 111.66 1psy h ARG 102 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.71 1psy h ARG 102 Cb 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.18 1psy h ARG 102 CO 0.01 0.00 -1.50 0.28 -0.00 0.00 0.00 179.97 178.76 1psy h VAL 103 N 0.00 1.07 -0.89 0.08 2.07 -0.87 -3.31 116.25 114.39 1psy h VAL 103 Ca 0.00 -2.87 0.15 0.00 0.82 0.00 0.00 66.70 64.80 1psy h VAL 103 Cb 0.49 2.52 -0.10 0.00 -1.52 0.00 0.00 31.29 32.68 1psy h VAL 103 CO 0.00 0.61 0.49 0.00 0.02 0.00 0.00 177.57 178.68 1psy h ALA 104 N 1.02 1.37 -0.12 1.67 0.00 -1.08 0.15 119.26 122.27 1psy h ALA 104 Ca -0.21 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1psy h ALA 104 Cb 1.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1psy h ALA 104 CO 0.09 -0.06 -0.42 -0.56 0.00 0.00 0.00 179.25 178.31 1psy h GLN 105 N 0.68 0.28 -0.43 0.00 3.07 -1.69 -1.15 115.11 115.86 1psy h GLN 105 Ca 0.49 -0.14 -0.07 0.00 0.09 0.00 0.00 58.65 59.03 1psy h GLN 105 Cb 0.69 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 1psy h GLN 105 CO -0.36 0.66 0.01 0.00 0.09 0.00 0.00 178.83 179.23 1psy h ARG 106 N 0.23 0.76 -0.31 0.06 2.47 -0.90 -2.76 114.38 113.93 1psy h ARG 106 Ca 0.02 -0.23 -0.16 0.00 -1.26 0.00 0.00 59.98 58.35 1psy h ARG 106 Cb 0.84 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 1psy h ARG 106 CO 0.07 0.82 -0.43 0.00 0.56 0.00 0.00 179.97 180.98 1psy h ALA 107 N 0.91 0.65 -1.03 0.04 0.00 -0.83 -3.05 119.26 115.94 1psy h ALA 107 Ca 0.12 -0.47 0.28 0.00 0.00 0.00 0.00 54.91 54.85 1psy h ALA 107 Cb 0.47 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1psy h ALA 107 CO 0.02 0.67 0.71 0.78 0.00 0.00 0.00 179.25 181.43 1psy h GLY 108 N 0.87 0.53 0.45 0.00 0.00 -1.02 -0.23 103.07 103.66 1psy h GLY 108 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1psy h GLY 108 CO 0.10 -0.05 -0.31 0.83 0.00 0.00 0.00 176.54 177.11 1psy h GLU 109 N 0.18 -0.51 0.00 4.80 5.08 -1.38 0.11 114.58 122.87 1psy h GLU 109 Ca 0.53 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.84 1psy h GLU 109 Cb 1.74 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1psy h GLU 109 CO -0.13 -0.34 -0.42 0.82 -1.00 0.00 0.00 179.01 177.95 1psy h ILE 110 N -0.53 1.12 0.84 3.13 1.08 -1.25 -2.65 117.51 119.24 1psy h ILE 110 Ca 0.03 -1.52 -0.04 0.00 -0.39 0.00 0.00 64.86 62.94 1psy h ILE 110 Cb 0.56 1.87 0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1psy h ILE 110 CO -0.19 0.41 -0.40 0.58 -0.69 0.00 0.00 178.15 177.86 1psy h VAL 111 N 0.00 0.16 -0.22 1.67 2.07 -0.65 0.52 116.25 119.80 1psy h VAL 111 Ca -0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1psy h VAL 111 Cb 0.83 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1psy h VAL 111 CO 0.05 0.00 0.29 0.77 0.02 0.00 0.00 177.57 178.71 1psy h SER 112 N -1.14 0.00 0.00 0.57 4.64 -0.73 0.21 113.55 117.09 1psy h SER 112 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1psy h SER 112 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1psy h SER 112 CO 0.19 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.95 1psy n SER 113 N -3.60 0.00 -2.28 4.97 7.64 -0.84 -4.84 113.62 114.67 1psy n SER 113 Ca 0.03 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1psy n SER 113 Cb 0.42 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 63.57 1psy n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1psy n GLY 115 N -0.41 1.76 2.95 0.00 0.00 -0.24 -4.42 105.19 104.83 1psy n GLY 115 Ca -0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1psy n GLY 115 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1psy n VAL 116 N -0.09 1.85 0.00 1.61 3.14 0.56 -4.31 118.33 121.09 1psy n VAL 116 Ca 0.07 -1.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.05 1psy n VAL 116 Cb 0.87 -2.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.45 1psy n VAL 116 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1psy n ARG 117 N 6.03 0.00 -0.12 1.45 3.00 -1.26 -4.06 116.66 121.69 1psy n ARG 117 Ca 0.45 0.00 0.08 0.00 -0.01 0.00 0.00 57.85 58.38 1psy n ARG 117 Cb 0.30 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.90 1psy n ARG 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1psy n MET 119 N 0.97 1.85 0.00 0.00 2.81 -1.26 -4.74 117.12 116.75 1psy n MET 119 Ca 0.13 -1.40 0.00 0.00 -1.81 0.00 0.00 57.70 54.62 1psy n MET 119 Cb 0.46 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1psy n MET 119 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1psy n ARG 120 N 0.65 0.00 0.00 0.03 0.63 -1.26 -4.93 116.66 111.78 1psy n ARG 120 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1psy n ARG 120 Cb 0.49 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.39 1psy n ARG 120 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1psy n GLN 121 N -2.10 3.51 -4.22 -0.14 7.27 -1.04 -4.99 117.38 115.68 1psy n GLN 121 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 56.89 1psy n GLN 121 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 1psy n GLN 121 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1psy s THR 122 N 1.80 0.00 0.00 1.69 -4.23 -0.87 -4.57 115.64 109.45 1psy s THR 122 Ca 0.00 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1psy s THR 122 Cb 0.00 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1psy s THR 122 CO 0.00 0.00 0.00 0.54 -0.54 0.00 0.00 174.62 174.62 1psy n ARG 123 N -0.59 0.00 -2.98 3.99 1.74 -1.26 -4.32 116.66 113.25 1psy n ARG 123 Ca 0.05 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.70 1psy n ARG 123 Cb 0.62 -0.48 -0.05 0.00 -1.02 0.00 0.00 32.46 31.53 1psy n ARG 123 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1psy s THR 124 N 0.00 4.62 0.00 0.55 -1.32 -1.26 -4.56 115.64 113.66 1psy s THR 124 Ca 0.00 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1psy s THR 124 Cb 0.00 -4.40 0.00 0.00 -1.51 0.00 0.00 72.50 66.59 1psy s THR 124 CO 0.00 -0.91 0.00 0.59 -2.21 0.00 0.00 174.62 172.09