#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psy n GLU 2 N 0.00 0.00 -3.47 0.00 2.13 -1.26 -5.13 120.64 112.91 1psy n GLU 2 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1psy n GLU 2 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1psy n GLU 2 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1psy s PHE 3 N -2.00 -0.88 -0.09 4.31 -0.71 -1.26 -5.16 117.98 112.19 1psy s PHE 3 Ca 0.00 1.52 0.02 0.00 -1.04 0.00 0.00 56.93 57.44 1psy s PHE 3 Cb 0.00 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1psy s PHE 3 CO 0.00 -0.44 -0.16 0.00 -1.34 0.00 0.00 175.22 173.28 1psy s MET 4 N 2.59 2.98 -0.07 1.99 0.23 -1.26 -5.10 119.30 120.67 1psy s MET 4 Ca -0.03 -0.74 -0.32 0.00 -1.03 0.00 0.00 55.69 53.56 1psy s MET 4 Cb -0.08 -2.46 0.14 0.00 -1.53 0.00 0.00 34.83 30.90 1psy s MET 4 CO -0.18 0.35 1.39 -1.21 -2.03 0.00 0.00 175.02 173.33 1psy s GLU 5 N -0.02 0.15 0.00 3.16 2.02 -1.26 -5.18 118.70 117.57 1psy s GLU 5 Ca -0.05 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.86 1psy s GLU 5 Cb -0.14 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1psy s GLU 5 CO 0.04 -0.07 0.00 -1.13 0.02 0.00 0.00 175.26 174.12 1psy n SER 6 N -0.52 0.00 -3.64 -0.19 3.41 -1.26 -5.18 113.62 106.24 1psy n SER 6 Ca -0.09 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.48 1psy n SER 6 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1psy n SER 6 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1psy s LYS 7 N -0.79 0.49 -0.44 4.33 2.20 -1.26 -5.12 119.74 119.14 1psy s LYS 7 Ca 0.00 0.81 0.07 0.00 -0.36 0.00 0.00 55.97 56.49 1psy s LYS 7 Cb 0.00 0.11 0.18 0.00 -1.51 0.00 0.00 37.83 36.61 1psy s LYS 7 CO 0.00 -0.10 0.62 0.20 -0.36 0.00 0.00 175.35 175.71 1psy s GLY 8 N 1.30 -0.98 0.01 5.54 0.00 -1.26 -5.14 107.32 106.78 1psy s GLY 8 Ca -0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.28 1psy s GLY 8 CO -0.15 3.47 0.09 1.85 0.00 0.00 0.00 173.10 178.35 1psy s GLU 9 N 1.35 0.42 0.99 2.90 2.12 -1.26 -5.15 118.70 120.07 1psy s GLU 9 Ca 0.22 -0.44 -0.15 0.00 0.36 0.00 0.00 54.97 54.96 1psy s GLU 9 Cb -0.04 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.56 1psy s GLU 9 CO -0.06 -0.09 0.18 -2.13 -0.54 0.00 0.00 175.26 172.61 1psy n ARG 10 N 1.54 -0.54 -2.73 4.30 3.00 -1.26 -4.89 116.66 116.07 1psy n ARG 10 Ca -0.23 -0.13 -0.43 0.00 -0.00 0.00 0.00 57.85 57.07 1psy n ARG 10 Cb 0.55 -1.73 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 1psy n ARG 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1psy s GLU 11 N -3.43 4.11 -0.00 -0.14 2.56 -1.26 -4.51 118.70 116.03 1psy s GLU 11 Ca 0.55 1.04 -0.00 0.00 0.00 0.00 0.00 54.97 56.55 1psy s GLU 11 Cb -0.18 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.25 1psy s GLU 11 CO 0.68 -0.75 0.01 0.41 -0.56 0.00 0.00 175.26 175.06 1psy n GLY 12 N 3.78 -3.00 2.85 -1.50 0.00 -1.26 -4.98 105.19 101.07 1psy n GLY 12 Ca 0.10 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1psy n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1psy n SER 13 N 0.05 5.12 -4.76 1.61 2.88 -1.26 -5.05 113.62 112.20 1psy n SER 13 Ca -0.01 -3.36 -0.39 0.00 -1.33 0.00 0.00 58.87 53.78 1psy n SER 13 Cb 0.02 -1.04 0.02 0.00 -0.75 0.00 0.00 64.21 62.45 1psy n SER 13 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1psy s SER 14 N -1.58 5.84 0.00 -3.46 1.04 -1.26 -4.94 113.70 109.35 1psy s SER 14 Ca 0.33 2.75 0.00 0.00 0.48 0.00 0.00 55.95 59.51 1psy s SER 14 Cb 0.05 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1psy s SER 14 CO 0.02 -1.18 0.00 -0.24 0.98 0.00 0.00 173.24 172.82 1psy n SER 15 N -0.37 0.00 -0.22 7.02 2.88 -1.26 -4.80 113.62 116.86 1psy n SER 15 Ca 0.06 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.63 1psy n SER 15 Cb 0.44 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.30 0.00 -1.46 5.75 -2.05 -3.39 115.11 114.26 1psy h GLN 16 Ca 0.00 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1psy h GLN 16 Cb 0.00 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.43 1psy h GLN 16 CO 0.00 0.20 0.10 0.94 -2.65 0.00 0.00 178.83 177.41 1psy n GLN 17 N -5.11 0.16 -0.08 1.69 7.27 -1.26 -5.01 117.38 115.06 1psy n GLN 17 Ca 0.11 -0.43 -0.01 0.00 0.07 0.00 0.00 57.00 56.74 1psy n GLN 17 Cb 0.37 0.02 0.26 0.00 2.41 0.00 0.00 30.24 33.30 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1psy n ARG 19 N -4.31 -0.16 0.16 0.00 0.00 -1.26 0.12 116.66 111.21 1psy n ARG 19 Ca 0.03 0.99 -0.06 0.00 -0.00 0.00 0.00 57.85 58.81 1psy n ARG 19 Cb 0.20 -1.46 -0.03 0.00 -0.00 0.00 0.00 32.46 31.17 1psy n ARG 19 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1psy h GLN 20 N 0.00 -0.40 0.00 2.89 4.15 -1.92 0.24 115.11 120.07 1psy h GLN 20 Ca 0.21 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1psy h GLN 20 Cb 0.37 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1psy h GLN 20 CO -0.63 -0.26 0.20 0.39 -1.93 0.00 0.00 178.83 176.60 1psy n GLU 21 N -3.15 0.07 0.05 1.69 1.02 0.16 -0.58 120.64 119.91 1psy n GLU 21 Ca -0.05 0.50 -0.19 0.00 -0.02 0.00 0.00 57.16 57.40 1psy n GLU 21 Cb 0.16 -1.92 -0.14 0.00 -0.02 0.00 0.00 31.44 29.52 1psy n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1psy h VAL 22 N 0.00 0.99 0.00 2.62 2.07 0.20 -3.30 116.25 118.84 1psy h VAL 22 Ca 0.00 -2.64 -0.02 0.00 0.82 0.00 0.00 66.70 64.87 1psy h VAL 22 Cb 0.41 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1psy h VAL 22 CO 0.00 0.82 -0.03 0.00 0.02 0.00 0.00 177.57 178.38 1psy n GLN 23 N -3.48 1.03 0.00 1.57 -0.00 0.72 -2.14 117.38 115.08 1psy n GLN 23 Ca -0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 57.00 56.71 1psy n GLN 23 Cb 1.06 -1.11 0.00 0.00 -0.00 0.00 0.00 30.24 30.19 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 1.62 0.00 0.04 2.61 1.85 -1.25 -5.01 116.66 116.51 1psy n ARG 24 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1psy n ARG 24 Cb 0.51 -0.13 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 1psy n ARG 24 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1psy n LYS 25 N -1.76 0.00 -0.18 2.89 2.85 -1.19 -4.98 118.16 115.80 1psy n LYS 25 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1psy n LYS 25 Cb 0.00 -0.45 0.20 0.00 -0.65 0.00 0.00 35.03 34.14 1psy n LYS 25 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1psy n ASP 26 N -3.34 -3.50 -4.50 -5.58 9.92 -0.91 -3.68 116.55 104.96 1psy n ASP 26 Ca 0.00 -0.60 -0.29 0.00 -0.53 0.00 0.00 54.79 53.36 1psy n ASP 26 Cb 0.13 -0.70 -0.19 0.00 -0.64 0.00 0.00 41.12 39.72 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 -0.65 -1.85 0.64 7.99 -1.26 -4.57 117.00 117.31 1psy n LEU 27 Ca 0.10 -0.31 -0.02 0.00 -0.01 0.00 0.00 56.01 55.77 1psy n LEU 27 Cb 0.41 -0.73 0.02 0.00 -0.11 0.00 0.00 43.42 43.02 1psy n LEU 27 CO 0.27 -1.21 0.26 -0.24 -1.51 0.00 0.00 177.39 174.96 1psy n SER 28 N 7.96 -0.06 0.00 -1.43 2.88 -1.26 -4.32 113.62 117.39 1psy n SER 28 Ca 0.66 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 1psy n SER 28 Cb 0.12 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.31 0.00 -0.14 -3.46 2.88 -1.26 -4.83 113.62 106.49 1psy n SER 29 Ca -0.10 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.39 1psy n SER 29 Cb 0.88 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.35 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 -0.16 0.16 -0.42 0.00 4.39 -1.92 -2.79 114.58 113.85 1psy h GLU 31 Ca 0.21 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1psy h GLU 31 Cb 0.49 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1psy h GLU 31 CO -0.55 0.77 0.25 -0.09 -1.16 0.00 0.00 179.01 178.24 1psy h ARG 32 N 0.11 0.56 0.16 2.33 2.43 -0.82 0.42 114.38 119.57 1psy h ARG 32 Ca -0.01 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1psy h ARG 32 Cb 1.20 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1psy h ARG 32 CO 0.10 0.40 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.85 1psy h TYR 33 N 0.58 -0.48 0.00 2.20 3.20 0.53 0.62 116.97 123.62 1psy h TYR 33 Ca 0.15 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1psy h TYR 33 Cb -0.02 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1psy h TYR 33 CO 0.00 -0.27 -0.24 1.37 -1.64 0.00 0.00 178.16 177.38 1psy h LEU 34 N -0.38 0.00 -0.14 2.82 8.10 -1.59 -3.10 115.31 121.02 1psy h LEU 34 Ca 0.01 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.90 1psy h LEU 34 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 1psy h LEU 34 CO -0.06 0.24 -0.31 -0.09 -4.11 0.00 0.00 178.44 174.11 1psy h ARG 35 N 0.00 0.46 0.00 0.17 1.12 -0.15 -3.45 114.38 112.53 1psy h ARG 35 Ca -0.00 -0.31 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 1psy h ARG 35 Cb 0.93 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.94 1psy h ARG 35 CO 0.03 0.92 0.00 1.04 -3.11 0.00 0.00 179.97 178.85 1psy n GLN 36 N -4.38 0.37 0.00 0.20 6.02 0.21 -5.04 117.38 114.76 1psy n GLN 36 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1psy n GLN 36 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 1psy n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1psy n SER 37 N -1.68 0.00 0.00 1.08 2.88 -1.26 -4.94 113.62 109.70 1psy n SER 37 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1psy n SER 37 Cb 0.00 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1psy n SER 37 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1psy n SER 38 N -1.95 0.00 -2.03 -3.46 2.88 -1.26 -4.95 113.62 102.85 1psy n SER 38 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1psy n SER 38 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1psy n SER 38 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1psy n SER 39 N 0.00 -1.10 -3.14 -3.46 7.64 -1.26 -5.13 113.62 107.17 1psy n SER 39 Ca 0.00 -1.70 -0.02 0.00 1.01 0.00 0.00 58.87 58.16 1psy n SER 39 Cb 0.00 1.82 -0.01 0.00 -1.01 0.00 0.00 64.21 65.00 1psy n SER 39 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1psy s ARG 40 N -2.04 0.86 -0.49 1.43 3.00 -1.26 -4.90 118.95 115.55 1psy s ARG 40 Ca 0.10 -0.48 -0.41 0.00 -1.00 0.00 0.00 55.73 53.94 1psy s ARG 40 Cb -0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 34.95 34.74 1psy s ARG 40 CO 0.05 -1.22 2.03 0.54 0.00 0.00 0.00 175.30 176.70 1psy n ARG 41 N 4.11 0.00 -2.86 5.12 3.00 -1.26 -4.82 116.66 119.96 1psy n ARG 41 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.53 1psy n ARG 41 Cb 0.56 -1.41 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 1psy n ARG 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1psy s SER 42 N 5.74 6.61 0.00 0.55 0.01 -1.26 -4.79 113.70 120.56 1psy s SER 42 Ca 1.13 -1.95 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1psy s SER 42 Cb -1.40 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 62.39 1psy s SER 42 CO 0.62 -1.14 0.00 0.41 0.41 0.00 0.00 173.24 173.53 1psy n THR 43 N 5.75 0.00 0.00 1.44 -1.04 -1.26 -5.13 114.28 114.04 1psy n THR 43 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1psy n THR 43 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1psy n THR 43 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1psy n GLY 44 N 5.00 0.74 1.19 3.41 0.00 -1.26 -4.82 105.19 109.44 1psy n GLY 44 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1psy n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1psy n GLU 45 N 0.00 1.88 0.00 1.61 0.28 -1.26 -4.70 120.64 118.45 1psy n GLU 45 Ca 0.00 -1.03 0.00 0.00 -0.16 0.00 0.00 57.16 55.97 1psy n GLU 45 Cb 0.00 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.29 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1psy n GLU 46 N 0.08 2.90 -1.14 3.44 2.13 -1.26 -4.80 120.64 121.99 1psy n GLU 46 Ca 0.15 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.68 1psy n GLU 46 Cb 0.73 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.37 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 0.00 3.69 -2.75 6.31 0.31 -1.26 -3.93 118.33 120.70 1psy n VAL 47 Ca 0.00 -2.11 0.01 0.00 -0.01 0.00 0.00 64.34 62.23 1psy n VAL 47 Cb 0.00 -2.37 0.04 0.00 -0.91 0.00 0.00 33.84 30.60 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 3.29 1.38 -4.39 7.52 -0.00 -1.26 -4.96 117.00 118.58 1psy n LEU 48 Ca 0.64 -2.75 -0.29 0.00 -0.00 0.00 0.00 56.01 53.60 1psy n LEU 48 Cb 0.43 0.35 0.24 0.00 -0.00 0.00 0.00 43.42 44.44 1psy n LEU 48 CO 0.61 0.90 0.16 -1.14 -0.00 0.00 0.00 177.39 177.92 1psy n ARG 49 N -0.32 -2.45 -2.75 1.47 0.63 -1.25 -4.99 116.66 106.98 1psy n ARG 49 Ca 0.06 -0.69 -0.00 0.00 -0.92 0.00 0.00 57.85 56.30 1psy n ARG 49 Cb 0.89 -2.00 0.01 0.00 0.45 0.00 0.00 32.46 31.82 1psy n ARG 49 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1psy s MET 50 N -4.10 0.24 0.54 -0.14 -1.94 -1.26 -4.92 119.30 107.71 1psy s MET 50 Ca 0.65 -0.14 0.32 0.00 -1.71 0.00 0.00 55.69 54.81 1psy s MET 50 Cb -0.21 0.01 1.25 0.00 2.01 0.00 0.00 34.83 37.89 1psy s MET 50 CO 0.65 -0.32 1.94 -1.00 -0.01 0.00 0.00 175.02 176.28 1psy h PRO 51 N 5.07 0.00 0.00 2.03 0.13 -1.96 -3.43 132.00 133.84 1psy h PRO 51 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1psy h PRO 51 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1psy h PRO 51 CO -0.08 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.11 1psy n GLY 52 N 0.15 -0.05 0.00 1.56 0.00 -1.26 -5.14 105.19 100.46 1psy n GLY 52 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1psy n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1psy n ASP 53 N -1.22 0.00 -3.35 1.61 9.92 -1.26 -4.99 116.55 117.26 1psy n ASP 53 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 1psy n ASP 53 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1psy n ASP 53 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1psy n GLU 54 N -0.73 2.80 0.00 -1.24 0.00 -1.26 -4.91 120.64 115.30 1psy n GLU 54 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 57.16 55.21 1psy n GLU 54 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 31.44 28.69 1psy n GLU 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1psy n ASN 55 N 4.52 0.00 -3.57 -1.84 0.23 -1.26 -3.90 115.26 109.44 1psy n ASN 55 Ca 0.60 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 54.31 1psy n ASN 55 Cb 0.23 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.90 1psy n ASN 55 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1psy n GLN 56 N 0.00 3.75 -3.57 -3.83 1.13 -1.26 -4.78 117.38 108.82 1psy n GLN 56 Ca 0.00 -4.67 -0.10 0.00 -1.94 0.00 0.00 57.00 50.29 1psy n GLN 56 Cb 0.00 -2.37 -0.02 0.00 0.11 0.00 0.00 30.24 27.96 1psy n GLN 56 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1psy s GLN 57 N -3.03 1.45 0.15 -1.09 2.00 -1.25 -4.98 119.66 112.90 1psy s GLN 57 Ca 0.38 -0.65 -0.29 0.00 -2.00 0.00 0.00 55.36 52.80 1psy s GLN 57 Cb 0.14 0.60 -0.03 0.00 0.80 0.00 0.00 33.01 34.52 1psy s GLN 57 CO -0.01 -0.65 1.57 0.37 -0.50 0.00 0.00 175.29 176.07 1psy h GLN 58 N 2.00 -0.35 -0.51 1.67 4.15 -1.95 -3.41 115.11 116.72 1psy h GLN 58 Ca -0.29 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.14 1psy h GLN 58 Cb 1.29 0.08 -0.16 0.00 0.21 0.00 0.00 27.48 28.89 1psy h GLN 58 CO 0.33 -0.23 -0.26 -1.83 -1.93 0.00 0.00 178.83 174.91 1psy s GLU 59 N -5.80 0.50 0.00 1.69 -1.05 -1.26 -5.09 118.70 107.69 1psy s GLU 59 Ca -0.15 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 1psy s GLU 59 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1psy s GLU 59 CO 0.64 -0.65 0.00 0.45 0.95 0.00 0.00 175.26 176.65 1psy n SER 60 N 3.15 0.00 0.18 0.83 2.88 -1.26 -5.02 113.62 114.38 1psy n SER 60 Ca 0.12 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.69 1psy n SER 60 Cb 0.61 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.47 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 0.04 0.14 -1.46 3.07 -1.95 -2.71 115.11 112.23 1psy h GLN 61 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1psy h GLN 61 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1psy h GLN 61 CO 0.00 0.33 -0.07 1.96 0.09 0.00 0.00 178.83 181.15 1psy h GLN 62 N 0.03 -0.18 -0.60 0.06 7.50 -1.95 -3.16 115.11 116.82 1psy h GLN 62 Ca 0.00 0.01 0.17 0.00 0.50 0.00 0.00 58.65 59.34 1psy h GLN 62 Cb 0.55 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 1psy h GLN 62 CO 0.04 0.27 0.53 1.25 -1.50 0.00 0.00 178.83 179.42 1psy h LEU 63 N -0.89 0.00 -0.97 1.46 6.46 -1.95 0.46 115.31 119.88 1psy h LEU 63 Ca -0.02 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.85 1psy h LEU 63 Cb 0.53 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.38 1psy h LEU 63 CO 0.03 0.00 0.61 -0.61 -0.62 0.00 0.00 178.44 177.85 1psy h GLN 64 N 0.00 0.96 -0.80 1.25 5.75 -1.44 0.62 115.11 121.46 1psy h GLN 64 Ca 0.28 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.78 1psy h GLN 64 Cb 1.33 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 1psy h GLN 64 CO -0.00 0.64 0.52 0.37 -2.65 0.00 0.00 178.83 177.71 1psy h GLN 65 N 0.99 0.89 -0.01 1.69 4.15 -0.14 0.45 115.11 123.13 1psy h GLN 65 Ca 0.47 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 1psy h GLN 65 Cb 0.41 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 1psy h GLN 65 CO -0.25 0.59 -0.01 0.00 -1.93 0.00 0.00 178.83 177.23 1psy h ASN 68 N -0.23 0.00 -0.03 0.00 -1.24 -0.16 0.28 115.58 114.20 1psy h ASN 68 Ca 0.03 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 1psy h ASN 68 Cb 0.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1psy h ASN 68 CO -0.10 0.00 -0.24 1.56 -1.29 0.00 0.00 177.43 177.36 1psy h GLN 69 N 0.00 0.22 0.00 6.67 1.08 0.15 -3.12 115.11 120.11 1psy h GLN 69 Ca 0.02 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1psy h GLN 69 Cb 0.06 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1psy h GLN 69 CO -0.00 0.87 0.00 0.28 -0.95 0.00 0.00 178.83 179.03 1psy h VAL 70 N -0.37 0.00 0.00 -0.54 2.07 0.57 -0.21 116.25 117.77 1psy h VAL 70 Ca -0.02 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 1psy h VAL 70 Cb 0.93 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1psy h VAL 70 CO 0.05 0.00 -0.27 0.50 0.02 0.00 0.00 177.57 177.87 1psy h LYS 71 N 0.00 0.00 -0.64 1.57 3.64 -0.42 -2.69 116.57 118.03 1psy h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1psy h LYS 71 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1psy h LYS 71 CO 0.00 0.27 0.00 1.04 -2.27 0.00 0.00 179.45 178.49 1psy n GLN 72 N -3.32 4.00 -1.22 1.90 6.02 -0.10 -4.98 117.38 119.69 1psy n GLN 72 Ca 0.01 -2.76 -0.30 0.00 -0.01 0.00 0.00 57.00 53.95 1psy n GLN 72 Cb 0.51 -2.01 0.14 0.00 1.02 0.00 0.00 30.24 29.90 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1psy s VAL 73 N -2.18 2.59 0.00 5.09 0.11 -1.02 -4.37 120.40 120.63 1psy s VAL 73 Ca 0.49 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1psy s VAL 73 Cb 0.34 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 1psy s VAL 73 CO 0.19 -0.25 0.25 0.54 -3.33 0.00 0.00 175.10 172.50 1psy n ARG 74 N -3.90 0.00 0.00 1.54 1.74 -1.26 -4.99 116.66 109.79 1psy n ARG 74 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1psy n ARG 74 Cb 0.56 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 1psy n ARG 74 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1psy n ASP 75 N -0.50 0.00 0.00 0.55 8.00 -1.26 -4.94 116.55 118.41 1psy n ASP 75 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1psy n ASP 75 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.23 -0.06 -1.24 0.00 -1.26 -4.49 120.64 114.82 1psy n GLU 76 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 57.16 57.11 1psy n GLU 76 Cb 0.00 -0.59 0.27 0.00 0.00 0.00 0.00 31.44 31.12 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1psy h GLN 78 N 3.72 0.08 0.05 0.00 7.50 -1.79 0.80 115.11 125.46 1psy h GLN 78 Ca 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 1psy h GLN 78 Cb 0.80 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.31 1psy h GLN 78 CO 0.00 0.05 -0.02 0.00 -1.50 0.00 0.00 178.83 177.36 1psy h GLU 80 N -0.12 0.03 -0.11 0.00 4.22 -1.78 0.46 114.58 117.28 1psy h GLU 80 Ca -0.01 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.48 1psy h GLU 80 Cb 0.05 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1psy h GLU 80 CO 0.01 0.02 -0.23 0.00 -2.18 0.00 0.00 179.01 176.63 1psy h ALA 81 N 1.26 -0.21 -0.11 2.92 0.00 0.60 0.31 119.26 124.03 1psy h ALA 81 Ca 0.83 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.60 1psy h ALA 81 Cb 3.10 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 21.32 1psy h ALA 81 CO -0.13 -0.69 -0.64 0.82 0.00 0.00 0.00 179.25 178.61 1psy h ILE 82 N -0.30 1.36 0.00 0.00 2.04 -0.17 -1.97 117.51 118.48 1psy h ILE 82 Ca 0.09 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.96 1psy h ILE 82 Cb 0.44 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1psy h ILE 82 CO -0.28 0.60 0.00 1.17 0.00 0.00 0.00 178.15 179.64 1psy n LYS 83 N -3.88 0.11 -0.06 2.37 3.00 -0.27 -0.42 118.16 119.01 1psy n LYS 83 Ca -0.03 0.22 -0.06 0.00 -0.00 0.00 0.00 58.31 58.43 1psy n LYS 83 Cb 0.65 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.16 1psy n LYS 83 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1psy n TYR 84 N -1.34 0.00 0.15 5.64 4.19 0.92 -4.52 117.16 122.20 1psy n TYR 84 Ca 0.04 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.12 1psy n TYR 84 Cb 0.10 -0.34 -0.08 0.00 0.49 0.00 0.00 39.34 39.51 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 -0.68 0.68 0.00 2.97 -0.00 -1.37 0.11 117.51 119.23 1psy h ILE 85 Ca 0.00 -0.63 -0.22 0.00 -0.00 0.00 0.00 64.86 64.02 1psy h ILE 85 Cb 0.68 0.99 -0.03 0.00 -0.00 0.00 0.00 36.82 38.46 1psy h ILE 85 CO 0.00 0.12 0.57 0.00 -0.00 0.00 0.00 178.15 178.84 1psy n ALA 86 N -2.49 5.11 0.03 0.18 0.00 0.44 -3.15 120.51 120.63 1psy n ALA 86 Ca -0.09 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1psy n ALA 86 Cb 0.26 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1psy n ALA 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1psy n GLU 87 N 2.93 0.00 -0.06 0.00 2.13 -1.16 -4.71 120.64 119.76 1psy n GLU 87 Ca 0.37 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 58.11 1psy n GLU 87 Cb 0.56 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.26 1psy n GLU 87 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1psy h ASP 88 N 0.00 -0.01 0.89 4.31 1.82 -0.72 0.27 116.42 122.98 1psy h ASP 88 Ca 0.00 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.63 1psy h ASP 88 Cb 0.00 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1psy h ASP 88 CO 0.00 0.03 -0.26 0.06 -1.61 0.00 0.00 179.24 177.46 1psy h GLN 89 N 0.13 0.00 -0.10 0.28 -0.00 -1.77 -0.49 115.11 113.17 1psy h GLN 89 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 1psy h GLN 89 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.60 1psy h GLN 89 CO -0.16 0.26 0.01 0.82 -0.00 0.00 0.00 178.83 179.76 1psy h ILE 90 N 0.00 1.22 -0.04 1.86 2.04 -0.80 0.59 117.51 122.39 1psy h ILE 90 Ca -0.00 -0.70 -0.17 0.00 1.00 0.00 0.00 64.86 64.99 1psy h ILE 90 Cb 0.78 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1psy h ILE 90 CO 0.03 0.20 -0.72 1.56 0.00 0.00 0.00 178.15 179.22 1psy h GLN 91 N -0.08 0.21 0.16 2.37 1.08 -0.77 -3.19 115.11 114.90 1psy h GLN 91 Ca 0.03 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1psy h GLN 91 Cb 0.30 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1psy h GLN 91 CO 0.00 0.85 -0.08 0.37 -0.95 0.00 0.00 178.83 179.02 1psy h GLN 92 N 0.14 -0.21 0.00 1.46 -0.00 -1.02 -3.46 115.11 112.01 1psy h GLN 92 Ca -0.02 0.01 -0.38 0.00 -0.00 0.00 0.00 58.65 58.26 1psy h GLN 92 Cb 1.28 0.05 0.19 0.00 0.00 0.00 0.00 27.48 29.00 1psy h GLN 92 CO 0.11 0.19 0.13 0.41 0.00 0.00 0.00 178.83 179.66 1psy n GLY 93 N 0.76 -2.71 1.77 2.39 0.00 0.21 -4.91 105.19 102.71 1psy n GLY 93 Ca -0.07 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 1psy n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1psy n GLN 94 N -4.68 1.51 -1.00 1.61 6.02 -1.26 -4.49 117.38 115.09 1psy n GLN 94 Ca 0.15 -0.93 -0.22 0.00 -0.01 0.00 0.00 57.00 55.99 1psy n GLN 94 Cb 0.57 -1.41 0.07 0.00 1.02 0.00 0.00 30.24 30.49 1psy n GLN 94 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1psy n LEU 95 N 0.96 6.58 -4.00 1.08 7.99 -1.20 -4.81 117.00 123.60 1psy n LEU 95 Ca 0.19 -3.48 -0.08 0.00 -0.01 0.00 0.00 56.01 52.63 1psy n LEU 95 Cb 0.56 -0.95 -0.09 0.00 -0.11 0.00 0.00 43.42 42.83 1psy n LEU 95 CO 0.21 1.21 -0.28 -1.38 -1.51 0.00 0.00 177.39 175.63 1psy s HIS 96 N -2.49 0.35 0.00 -1.77 -3.43 -1.26 -3.59 115.29 103.10 1psy s HIS 96 Ca 0.42 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 53.89 1psy s HIS 96 Cb 0.34 -0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 1psy s HIS 96 CO 0.01 -0.39 0.00 0.41 -2.00 0.00 0.00 174.74 172.78 1psy n GLY 97 N 0.38 2.18 0.00 -1.38 0.00 -1.26 -4.46 105.19 100.65 1psy n GLY 97 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.21 0.00 -0.46 1.61 2.13 -1.26 -4.96 120.64 117.48 1psy n GLU 98 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1psy n GLU 98 Cb 0.00 0.00 0.11 0.00 0.27 0.00 0.00 31.44 31.82 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 0.00 1.96 0.04 5.31 0.28 -1.26 -3.87 120.64 123.10 1psy n GLU 99 Ca 0.00 -1.29 -0.17 0.00 -0.16 0.00 0.00 57.16 55.54 1psy n GLU 99 Cb 0.00 -1.62 -0.14 0.00 1.43 0.00 0.00 31.44 31.10 1psy n GLU 99 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1psy h SER 100 N 0.91 0.36 1.01 -1.84 4.64 -1.86 -3.30 113.55 113.47 1psy h SER 100 Ca 0.16 -0.58 -0.11 0.00 -0.47 0.00 0.00 61.79 60.79 1psy h SER 100 Cb 1.53 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.48 1psy h SER 100 CO 0.36 1.50 -0.52 -0.08 -0.87 0.00 0.00 176.83 177.22 1psy h GLU 101 N 0.06 0.00 0.00 4.77 4.81 -1.87 -2.61 114.58 119.74 1psy h GLU 101 Ca -0.29 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1psy h GLU 101 Cb 2.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 1psy h GLU 101 CO 0.14 0.52 -0.33 0.07 -0.73 0.00 0.00 179.01 178.68 1psy h ARG 102 N 0.00 0.00 0.00 1.92 -0.00 -1.79 -2.20 114.38 112.31 1psy h ARG 102 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.88 1psy h ARG 102 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.13 1psy h ARG 102 CO 0.07 0.33 -0.49 0.28 -0.00 0.00 0.00 179.97 180.16 1psy h VAL 103 N 0.00 0.68 -0.04 0.08 2.07 -1.55 -2.28 116.25 115.21 1psy h VAL 103 Ca -0.00 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 1psy h VAL 103 Cb 0.72 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1psy h VAL 103 CO 0.04 0.39 -0.04 0.00 0.02 0.00 0.00 177.57 177.98 1psy h ALA 104 N 1.59 0.06 0.00 1.67 0.00 -1.20 -2.76 119.26 118.61 1psy h ALA 104 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1psy h ALA 104 Cb 1.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1psy h ALA 104 CO 0.05 -0.16 -0.56 -0.56 0.00 0.00 0.00 179.25 178.01 1psy h GLN 105 N -0.36 0.00 0.27 0.00 3.07 -1.58 -3.22 115.11 113.28 1psy h GLN 105 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.75 1psy h GLN 105 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.06 1psy h GLN 105 CO 0.01 0.56 -0.37 -0.09 0.09 0.00 0.00 178.83 179.03 1psy h ARG 106 N 0.00 -0.67 -0.73 0.06 9.65 -1.24 -0.84 114.38 120.61 1psy h ARG 106 Ca -0.01 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.06 1psy h ARG 106 Cb 1.02 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 1psy h ARG 106 CO 0.07 -0.45 0.49 0.00 2.80 0.00 0.00 179.97 182.88 1psy h ALA 107 N -0.21 2.12 -1.01 2.80 0.00 -1.51 0.14 119.26 121.58 1psy h ALA 107 Ca -0.00 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.21 1psy h ALA 107 Cb 0.66 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1psy h ALA 107 CO -0.13 -0.31 0.59 0.78 0.00 0.00 0.00 179.25 180.18 1psy h GLY 108 N 0.40 1.97 0.11 0.00 0.00 -1.18 0.16 103.07 104.54 1psy h GLY 108 Ca 0.35 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1psy h GLY 108 CO -0.11 -0.41 -0.45 0.83 0.00 0.00 0.00 176.54 176.40 1psy h GLU 109 N 0.39 -0.62 -0.06 4.80 5.08 -0.67 0.32 114.58 123.82 1psy h GLU 109 Ca 0.71 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 59.02 1psy h GLU 109 Cb 1.58 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1psy h GLU 109 CO -0.55 -0.41 -0.38 0.82 -1.00 0.00 0.00 179.01 177.49 1psy h ILE 110 N -0.65 1.29 0.65 3.13 1.08 -1.33 -2.56 117.51 119.13 1psy h ILE 110 Ca -0.01 -1.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.06 1psy h ILE 110 Cb 0.65 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 1psy h ILE 110 CO -0.24 0.40 -0.47 0.58 -0.69 0.00 0.00 178.15 177.74 1psy h VAL 111 N 0.11 0.06 -0.07 1.67 2.07 -0.03 0.10 116.25 120.17 1psy h VAL 111 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1psy h VAL 111 Cb 0.72 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1psy h VAL 111 CO 0.05 0.00 0.22 0.28 0.02 0.00 0.00 177.57 178.15 1psy h SER 112 N -1.08 0.00 0.00 0.57 0.02 -0.11 0.17 113.55 113.13 1psy h SER 112 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1psy h SER 112 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1psy h SER 112 CO 0.04 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 175.49 1psy n SER 113 N -3.19 0.00 -2.62 3.07 2.88 -0.15 -4.84 113.62 108.77 1psy n SER 113 Ca -0.01 0.50 -0.02 0.00 -1.33 0.00 0.00 58.87 58.01 1psy n SER 113 Cb 0.30 -0.43 0.10 0.00 -0.75 0.00 0.00 64.21 63.43 1psy n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1psy n GLY 115 N -1.21 1.89 3.56 0.00 0.00 0.49 -4.23 105.19 105.68 1psy n GLY 115 Ca -0.12 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1psy n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1psy s VAL 116 N -0.70 3.47 0.00 1.61 1.01 -0.55 -4.35 120.40 120.88 1psy s VAL 116 Ca 0.35 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1psy s VAL 116 Cb 0.39 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1psy s VAL 116 CO -0.15 -1.02 0.00 0.54 0.00 0.00 0.00 175.10 174.47 1psy n ARG 117 N 9.08 0.00 0.00 2.72 3.00 -1.26 -4.74 116.66 125.46 1psy n ARG 117 Ca 0.17 0.00 0.12 0.00 -0.01 0.00 0.00 57.85 58.13 1psy n ARG 117 Cb 0.51 0.00 0.18 0.00 0.00 0.00 0.00 32.46 33.15 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 0.31 2.19 0.00 0.00 0.00 -1.26 -4.84 117.12 113.52 1psy n MET 119 Ca 0.13 -1.73 0.00 0.00 0.00 0.00 0.00 57.70 56.09 1psy n MET 119 Cb 0.47 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.22 1psy n MET 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1psy n ARG 120 N 1.07 0.00 0.00 2.12 0.63 -1.25 -4.79 116.66 114.44 1psy n ARG 120 Ca 0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1psy n ARG 120 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1psy n ARG 120 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1psy n GLN 121 N -1.35 1.19 0.00 -0.14 10.64 -1.10 -4.96 117.38 121.66 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1psy n GLN 121 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1psy n THR 122 N -0.02 0.00 0.20 -0.39 -1.04 -1.20 -4.25 114.28 107.58 1psy n THR 122 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1psy n THR 122 Cb 0.00 -0.48 0.40 0.00 -1.82 0.00 0.00 70.33 68.43 1psy n THR 122 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1psy h ARG 123 N 0.00 0.00 -3.36 -2.82 0.11 -1.94 -3.36 114.38 103.01 1psy h ARG 123 Ca 0.00 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.72 1psy h ARG 123 Cb 0.00 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 30.70 1psy h ARG 123 CO 0.00 0.33 -0.74 -0.08 0.10 0.00 0.00 179.97 179.58 1psy s THR 124 N -4.21 -0.09 -0.04 0.08 -1.32 -1.26 -3.98 115.64 104.81 1psy s THR 124 Ca -0.03 0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 1psy s THR 124 Cb 0.14 -0.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 1psy s THR 124 CO 0.71 0.16 0.01 -3.20 -2.21 0.00 0.00 174.62 170.09