#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 0.68 -0.30 0.00 2.12 -1.26 -5.05 118.70 114.89 1psy s GLU 2 Ca 0.00 0.66 -0.04 0.00 0.36 0.00 0.00 54.97 55.95 1psy s GLU 2 Cb 0.00 0.33 0.19 0.00 0.26 0.00 0.00 34.13 34.91 1psy s GLU 2 CO 0.00 -0.11 0.79 0.12 -0.54 0.00 0.00 175.26 175.52 1psy s PHE 3 N 0.01 -1.20 -0.62 5.30 5.36 -1.26 -5.12 117.98 120.46 1psy s PHE 3 Ca 0.00 1.01 -0.21 0.00 -0.96 0.00 0.00 56.93 56.78 1psy s PHE 3 Cb -0.04 0.32 0.09 0.00 -0.34 0.00 0.00 43.02 43.05 1psy s PHE 3 CO -0.01 -0.67 0.82 1.41 -1.46 0.00 0.00 175.22 175.30 1psy s MET 4 N 2.89 3.07 0.26 10.12 -2.45 -1.26 -4.99 119.30 126.94 1psy s MET 4 Ca 0.14 -1.10 -0.08 0.00 -1.25 0.00 0.00 55.69 53.39 1psy s MET 4 Cb -0.10 -4.25 -0.01 0.00 1.25 0.00 0.00 34.83 31.72 1psy s MET 4 CO -0.20 -1.67 0.41 -1.21 1.05 0.00 0.00 175.02 173.41 1psy s GLU 5 N 3.30 1.56 0.00 4.11 0.41 -1.26 -5.18 118.70 121.64 1psy s GLU 5 Ca 0.16 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 1psy s GLU 5 Cb -0.21 0.43 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 1psy s GLU 5 CO 0.08 -0.63 0.00 -1.13 -0.49 0.00 0.00 175.26 173.09 1psy n SER 6 N -0.58 0.00 -3.62 -0.19 3.41 -1.26 -5.14 113.62 106.24 1psy n SER 6 Ca -0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1psy n SER 6 Cb 0.63 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 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 -2.00 0.53 -0.34 4.33 2.20 -1.26 -5.10 119.74 118.10 1psy s LYS 7 Ca 0.00 0.46 0.04 0.00 -0.36 0.00 0.00 55.97 56.11 1psy s LYS 7 Cb 0.00 0.26 0.32 0.00 -1.51 0.00 0.00 37.83 36.90 1psy s LYS 7 CO 0.00 -0.10 1.35 0.41 -0.36 0.00 0.00 175.35 176.65 1psy n GLY 8 N 1.76 -1.22 1.82 5.54 0.00 -1.26 -4.91 105.19 106.92 1psy n GLY 8 Ca -0.12 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1psy n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1psy n GLU 9 N 0.56 0.00 -1.38 1.61 2.13 -1.26 -5.15 120.64 117.15 1psy n GLU 9 Ca -0.04 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.49 1psy n GLU 9 Cb 0.75 0.00 0.18 0.00 0.27 0.00 0.00 31.44 32.64 1psy n GLU 9 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1psy s ARG 10 N -1.11 0.26 -0.60 5.31 3.52 -1.26 -4.87 118.95 120.20 1psy s ARG 10 Ca 0.00 0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.47 1psy s ARG 10 Cb 0.00 -1.75 -0.11 0.00 -1.56 0.00 0.00 34.95 31.53 1psy s ARG 10 CO 0.00 -2.76 2.47 -1.91 -0.81 0.00 0.00 175.30 172.29 1psy n GLU 11 N -4.13 0.81 0.00 5.12 4.07 -1.26 -4.79 120.64 120.46 1psy n GLU 11 Ca 0.09 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1psy n GLU 11 Cb 0.59 -2.90 0.00 0.00 -0.06 0.00 0.00 31.44 29.07 1psy n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1psy n GLY 12 N 6.16 5.34 0.03 8.31 0.00 -1.26 -5.10 105.19 118.67 1psy n GLY 12 Ca 0.44 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -0.03 0.00 1.61 2.88 -1.26 -5.14 113.62 111.68 1psy n SER 13 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1psy n SER 13 Cb 0.00 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1psy n SER 13 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1psy n SER 14 N -2.43 0.89 -3.89 -3.46 2.88 -1.26 -5.07 113.62 101.28 1psy n SER 14 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1psy n SER 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1psy n SER 14 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1psy n SER 15 N 0.00 0.00 0.02 -3.46 7.64 -1.26 -4.91 113.62 111.65 1psy n SER 15 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1psy n SER 15 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1psy n SER 15 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1psy h GLN 16 N 0.00 0.52 0.00 1.43 4.15 -2.05 -3.42 115.11 115.75 1psy h GLN 16 Ca 0.00 -0.39 -0.02 0.00 0.77 0.00 0.00 58.65 59.01 1psy h GLN 16 Cb 0.00 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1psy h GLN 16 CO 0.00 1.01 -0.03 0.94 -1.93 0.00 0.00 178.83 178.83 1psy n GLN 17 N -3.90 0.11 -0.07 1.69 7.27 -1.26 -5.02 117.38 116.20 1psy n GLN 17 Ca -0.04 -0.12 -0.12 0.00 0.07 0.00 0.00 57.00 56.78 1psy n GLN 17 Cb 0.68 0.15 -0.10 0.00 2.41 0.00 0.00 30.24 33.38 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 -4.62 -0.09 0.10 0.00 1.85 -1.26 0.89 116.66 113.53 1psy n ARG 19 Ca -0.11 0.37 -0.15 0.00 -1.00 0.00 0.00 57.85 56.96 1psy n ARG 19 Cb 0.41 -0.55 -0.09 0.00 -1.05 0.00 0.00 32.46 31.18 1psy n ARG 19 CO 0.00 0.00 0.00 -0.56 -0.01 0.00 0.00 177.63 177.06 1psy h GLN 20 N 0.00 -0.67 0.00 2.89 -0.00 -1.95 0.37 115.11 115.75 1psy h GLN 20 Ca 0.06 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 1psy h GLN 20 Cb 0.12 0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.75 1psy h GLN 20 CO -0.24 -0.45 -0.07 1.05 -0.00 0.00 0.00 178.83 179.13 1psy h GLU 21 N -0.70 0.00 0.35 0.06 -0.00 0.35 -3.24 114.58 111.40 1psy h GLU 21 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1psy h GLU 21 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.46 1psy h GLU 21 CO -0.28 0.07 -0.17 -0.24 -0.00 0.00 0.00 179.01 178.39 1psy h VAL 22 N 0.00 0.00 0.00 -1.06 3.04 0.12 -3.27 116.25 115.08 1psy h VAL 22 Ca -0.00 -0.65 -0.08 0.00 -1.01 0.00 0.00 66.70 64.96 1psy h VAL 22 Cb 0.21 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 29.46 1psy h VAL 22 CO 0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 177.57 176.55 1psy n GLN 23 N -5.08 1.00 0.05 4.17 10.64 0.12 -0.61 117.38 127.67 1psy n GLN 23 Ca -0.06 -0.42 0.00 0.00 -1.83 0.00 0.00 57.00 54.69 1psy n GLN 23 Cb 0.19 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 1psy n GLN 23 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1psy n ARG 24 N 2.42 0.00 -0.03 2.61 1.74 -1.25 -4.97 116.66 117.18 1psy n ARG 24 Ca 0.18 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.22 1psy n ARG 24 Cb 0.47 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.86 1psy n ARG 24 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1psy n LYS 25 N -2.74 2.33 0.00 5.56 0.00 -0.91 -4.89 118.16 117.51 1psy n LYS 25 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1psy n LYS 25 Cb 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 33.86 1psy n LYS 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1psy n ASP 26 N -2.35 -0.45 -4.57 -5.58 5.75 0.22 -3.58 116.55 106.00 1psy n ASP 26 Ca -0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.53 1psy n ASP 26 Cb 0.70 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.67 1psy n ASP 26 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1psy n LEU 27 N 0.00 1.26 -2.07 -2.12 7.99 -1.26 -4.45 117.00 116.36 1psy n LEU 27 Ca 0.00 -2.42 -0.09 0.00 -0.01 0.00 0.00 56.01 53.49 1psy n LEU 27 Cb 0.00 -1.71 0.05 0.00 -0.11 0.00 0.00 43.42 41.66 1psy n LEU 27 CO 0.00 -3.61 0.13 -1.20 -1.51 0.00 0.00 177.39 171.20 1psy n SER 28 N 19.69 2.96 0.00 -1.43 7.64 -1.26 -4.41 113.62 136.80 1psy n SER 28 Ca 0.40 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1psy n SER 28 Cb 0.47 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1psy n SER 28 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1psy n SER 29 N -0.60 0.00 0.13 6.43 2.88 -1.26 -4.86 113.62 116.34 1psy n SER 29 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 1psy n SER 29 Cb 0.89 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.54 0.27 -0.24 0.00 4.39 -1.91 -2.95 114.58 113.60 1psy h GLU 31 Ca 0.02 -0.22 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1psy h GLU 31 Cb 0.56 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1psy h GLU 31 CO -0.16 0.86 0.17 -0.09 -1.16 0.00 0.00 179.01 178.63 1psy h ARG 32 N 0.19 0.13 0.52 2.33 9.65 -1.66 -0.07 114.38 125.47 1psy h ARG 32 Ca -0.02 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1psy h ARG 32 Cb 1.24 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1psy h ARG 32 CO 0.11 0.08 -0.30 -0.92 2.80 0.00 0.00 179.97 181.74 1psy h TYR 33 N 0.13 -0.79 0.00 2.20 3.20 0.29 0.46 116.97 122.45 1psy h TYR 33 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1psy h TYR 33 Cb 0.27 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1psy h TYR 33 CO -0.00 -0.47 0.00 1.37 -1.64 0.00 0.00 178.16 177.42 1psy h LEU 34 N -0.77 0.00 0.08 2.82 8.10 -1.59 -2.88 115.31 121.07 1psy h LEU 34 Ca -0.06 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.67 1psy h LEU 34 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1psy h LEU 34 CO 0.08 0.00 -1.21 -0.09 -4.11 0.00 0.00 178.44 173.11 1psy h ARG 35 N 0.00 0.17 0.00 0.17 2.43 -0.26 -3.46 114.38 113.42 1psy h ARG 35 Ca 0.00 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1psy h ARG 35 Cb 0.53 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1psy h ARG 35 CO 0.00 1.11 0.00 0.94 -1.51 0.00 0.00 179.97 180.51 1psy n GLN 36 N -3.44 0.65 0.00 0.20 7.27 0.15 -5.05 117.38 117.17 1psy n GLN 36 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1psy n GLN 36 Cb 1.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.65 1psy n GLN 36 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1psy n SER 37 N -1.35 0.00 -3.61 1.69 2.88 -1.26 -4.98 113.62 106.98 1psy n SER 37 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1psy n SER 37 Cb 0.00 0.05 -0.15 0.00 -0.75 0.00 0.00 64.21 63.36 1psy n SER 37 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1psy s SER 38 N -2.74 1.04 -0.17 -3.46 1.04 -1.26 -5.13 113.70 103.03 1psy s SER 38 Ca 0.00 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.45 1psy s SER 38 Cb 0.00 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.49 1psy s SER 38 CO 0.00 -0.28 0.39 -0.55 0.98 0.00 0.00 173.24 173.78 1psy s SER 39 N 2.30 -0.39 -0.40 7.02 0.15 -1.26 -5.06 113.70 116.07 1psy s SER 39 Ca 0.04 0.86 0.05 0.00 0.70 0.00 0.00 55.95 57.60 1psy s SER 39 Cb -0.14 0.85 0.31 0.00 -1.71 0.00 0.00 66.02 65.34 1psy s SER 39 CO -0.08 -0.20 1.22 -1.14 1.20 0.00 0.00 173.24 174.23 1psy n ARG 40 N 4.56 0.58 -1.44 5.44 0.63 -1.26 -4.96 116.66 120.21 1psy n ARG 40 Ca -0.19 -1.33 -0.46 0.00 -0.92 0.00 0.00 57.85 54.95 1psy n ARG 40 Cb 0.53 -0.67 -0.02 0.00 0.45 0.00 0.00 32.46 32.76 1psy n ARG 40 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1psy n ARG 41 N 0.66 0.37 -2.81 -0.14 1.74 -1.26 -4.87 116.66 110.36 1psy n ARG 41 Ca 0.01 0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.80 1psy n ARG 41 Cb 0.72 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 1psy n ARG 41 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1psy s SER 42 N -0.90 6.22 -0.00 0.55 1.04 -1.26 -4.98 113.70 114.36 1psy s SER 42 Ca 0.62 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1psy s SER 42 Cb -0.80 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 62.88 1psy s SER 42 CO 0.58 -1.48 0.00 -0.89 0.98 0.00 0.00 173.24 172.44 1psy s THR 43 N 4.24 0.01 -1.92 2.02 2.01 -1.26 -5.01 115.64 115.72 1psy s THR 43 Ca 0.26 0.03 0.20 0.00 0.31 0.00 0.00 61.69 62.49 1psy s THR 43 Cb -0.14 -0.04 0.54 0.00 0.01 0.00 0.00 72.50 72.87 1psy s THR 43 CO 0.09 0.02 1.60 0.61 -0.69 0.00 0.00 174.62 176.25 1psy n GLY 44 N 3.29 -0.67 2.37 4.40 0.00 -1.26 -3.68 105.19 109.64 1psy n GLY 44 Ca -0.15 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 1psy n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1psy n GLU 45 N -1.04 0.88 0.00 1.61 2.13 -1.26 -5.11 120.64 117.84 1psy n GLU 45 Ca 0.14 -2.83 0.00 0.00 0.66 0.00 0.00 57.16 55.13 1psy n GLU 45 Cb 0.08 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.39 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1psy n GLU 46 N 0.82 3.29 -0.25 5.31 2.13 -1.24 -4.96 120.64 125.73 1psy n GLU 46 Ca 0.18 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.00 1psy n GLU 46 Cb 0.63 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.43 1psy n GLU 46 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1psy n VAL 47 N 0.00 0.92 -1.29 6.31 3.14 -1.26 -4.41 118.33 121.74 1psy n VAL 47 Ca 0.00 -0.39 -0.24 0.00 -2.96 0.00 0.00 64.34 60.75 1psy n VAL 47 Cb 0.00 -0.54 -0.02 0.00 -1.06 0.00 0.00 33.84 32.22 1psy n VAL 47 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1psy n LEU 48 N 0.14 6.54 -4.44 6.55 4.77 -1.26 -4.81 117.00 124.50 1psy n LEU 48 Ca 0.09 -3.83 -0.22 0.00 -0.03 0.00 0.00 56.01 52.03 1psy n LEU 48 Cb 0.57 -1.16 -0.10 0.00 -2.33 0.00 0.00 43.42 40.40 1psy n LEU 48 CO 0.10 1.55 -0.24 -0.60 -1.33 0.00 0.00 177.39 176.88 1psy s ARG 49 N -1.88 1.69 -0.45 3.23 3.52 -1.26 -5.12 118.95 118.68 1psy s ARG 49 Ca 0.50 -1.97 0.02 0.00 -0.13 0.00 0.00 55.73 54.15 1psy s ARG 49 Cb 0.34 -0.60 0.21 0.00 -1.56 0.00 0.00 34.95 33.34 1psy s ARG 49 CO -0.14 -0.32 0.89 -0.12 -0.81 0.00 0.00 175.30 174.80 1psy n MET 50 N -0.71 0.41 0.16 5.12 0.00 -1.26 -5.00 117.12 115.85 1psy n MET 50 Ca -0.03 -1.55 0.13 0.00 -0.00 0.00 0.00 57.70 56.26 1psy n MET 50 Cb 0.66 -0.92 0.49 0.00 0.00 0.00 0.00 33.22 33.44 1psy n MET 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1psy h PRO 51 N 4.52 0.00 0.00 2.12 0.13 -2.02 -3.46 132.00 133.29 1psy h PRO 51 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1psy h PRO 51 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1psy h PRO 51 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1psy n GLY 52 N 0.39 2.41 0.00 1.56 0.00 -1.26 -5.17 105.19 103.12 1psy n GLY 52 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -4.50 1.61 8.00 -1.26 -5.09 116.55 115.31 1psy n ASP 53 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1psy n ASP 53 Cb 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 41.12 40.92 1psy n ASP 53 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1psy n GLU 54 N 0.00 0.04 -1.33 -1.24 0.00 -1.26 -4.86 120.64 112.00 1psy n GLU 54 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.14 1psy n GLU 54 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.06 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 8.58 1.66 -3.88 4.31 6.94 -1.26 -4.94 115.26 126.67 1psy n ASN 55 Ca 0.66 -0.73 -0.35 0.00 -0.02 0.00 0.00 54.58 54.14 1psy n ASN 55 Cb 0.10 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.54 1psy n ASN 55 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1psy n GLN 56 N -0.12 0.00 -0.03 -3.83 10.64 -1.26 -4.93 117.38 117.84 1psy n GLN 56 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 1psy n GLN 56 Cb 0.00 -0.93 -0.14 0.00 -0.86 0.00 0.00 30.24 28.31 1psy n GLN 56 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1psy n GLN 57 N 1.59 0.67 0.00 2.61 7.27 -1.26 -4.99 117.38 123.27 1psy n GLN 57 Ca 0.05 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.36 1psy n GLN 57 Cb 0.45 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.38 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 -3.11 0.00 -2.89 3.69 6.02 -1.26 -5.06 117.38 114.77 1psy n GLN 58 Ca -0.24 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.31 1psy n GLN 58 Cb 1.06 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.31 1psy n GLN 58 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1psy s GLU 59 N 0.00 3.79 0.00 -1.09 2.02 -1.26 -4.47 118.70 117.68 1psy s GLU 59 Ca 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 52.98 1psy s GLU 59 Cb 0.00 -5.04 0.00 0.00 0.10 0.00 0.00 34.13 29.19 1psy s GLU 59 CO 0.00 -1.83 0.00 -1.13 0.02 0.00 0.00 175.26 172.32 1psy n SER 60 N 6.52 0.00 0.25 -0.19 3.41 -1.26 -5.03 113.62 117.32 1psy n SER 60 Ca 0.30 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 59.00 1psy n SER 60 Cb 0.47 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 65.06 1psy n SER 60 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1psy h GLN 61 N 0.00 0.00 0.00 4.33 3.07 -1.96 -2.68 115.11 117.88 1psy h GLN 61 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.63 1psy h GLN 61 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.57 1psy h GLN 61 CO 0.00 0.09 -0.42 1.96 0.09 0.00 0.00 178.83 180.56 1psy h GLN 62 N 0.00 0.28 -1.11 0.06 1.08 -1.94 -2.82 115.11 110.66 1psy h GLN 62 Ca -0.00 -0.30 0.30 0.00 -1.45 0.00 0.00 58.65 57.20 1psy h GLN 62 Cb 0.18 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.61 1psy h GLN 62 CO 0.01 1.01 0.73 1.25 -0.95 0.00 0.00 178.83 180.89 1psy h LEU 63 N -0.33 0.31 0.07 1.46 6.46 -1.85 0.23 115.31 121.66 1psy h LEU 63 Ca -0.05 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1psy h LEU 63 Cb 1.16 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1psy h LEU 63 CO 0.08 0.03 -0.04 -0.61 -0.62 0.00 0.00 178.44 177.29 1psy h GLN 64 N 0.26 -0.10 -0.77 1.25 4.15 -1.47 -2.08 115.11 116.36 1psy h GLN 64 Ca 0.61 0.01 0.19 0.00 0.77 0.00 0.00 58.65 60.23 1psy h GLN 64 Cb 1.81 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.48 1psy h GLN 64 CO -0.24 0.20 0.53 0.37 -1.93 0.00 0.00 178.83 177.76 1psy h GLN 65 N -0.39 0.21 0.43 1.69 -0.00 -0.37 -0.04 115.11 116.64 1psy h GLN 65 Ca -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1psy h GLN 65 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.78 1psy h GLN 65 CO 0.02 0.14 -0.21 0.00 0.00 0.00 0.00 178.83 178.78 1psy h ASN 68 N -0.27 0.52 0.01 0.00 -1.24 -1.14 0.12 115.58 113.58 1psy h ASN 68 Ca 0.15 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1psy h ASN 68 Cb 0.50 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1psy h ASN 68 CO -0.44 0.34 -0.00 1.56 -1.29 0.00 0.00 177.43 177.59 1psy h GLN 69 N 0.59 -0.01 0.00 6.67 1.08 0.18 -2.20 115.11 121.42 1psy h GLN 69 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1psy h GLN 69 Cb 0.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1psy h GLN 69 CO -0.08 0.17 0.00 0.28 -0.95 0.00 0.00 178.83 178.25 1psy h VAL 70 N -0.20 0.00 0.00 -0.54 2.07 0.51 0.59 116.25 118.68 1psy h VAL 70 Ca -0.00 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1psy h VAL 70 Cb 0.19 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1psy h VAL 70 CO 0.00 0.00 -0.58 0.50 0.02 0.00 0.00 177.57 177.51 1psy h LYS 71 N 0.00 0.00 -0.05 1.57 1.63 -0.46 -3.19 116.57 116.07 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 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1psy h LYS 71 CO 0.00 0.58 0.00 1.04 -3.45 0.00 0.00 179.45 177.62 1psy n GLN 72 N -3.33 1.85 -0.88 1.90 3.00 0.12 -4.93 117.38 115.12 1psy n GLN 72 Ca 0.01 -1.24 -0.29 0.00 -0.01 0.00 0.00 57.00 55.47 1psy n GLN 72 Cb 0.73 -1.47 0.23 0.00 0.00 0.00 0.00 30.24 29.73 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1psy s VAL 73 N -1.96 1.73 0.00 5.09 0.11 -0.74 -4.76 120.40 119.87 1psy s VAL 73 Ca 0.35 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1psy s VAL 73 Cb 0.20 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 1psy s VAL 73 CO 0.32 0.00 0.18 0.54 -3.33 0.00 0.00 175.10 172.81 1psy n ARG 74 N -4.79 0.00 0.00 1.54 5.12 -1.26 -4.99 116.66 112.27 1psy n ARG 74 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1psy n ARG 74 Cb 0.58 -0.67 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 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 -0.19 0.00 0.00 0.55 8.00 -1.26 -4.87 116.55 118.78 1psy n ASP 75 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1psy n ASP 75 Cb 0.00 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 41.74 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 -0.33 0.38 0.00 -1.24 0.00 -1.26 -2.35 120.64 115.84 1psy n GLU 76 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.34 1psy n GLU 76 Cb 0.00 -1.50 0.56 0.00 0.00 0.00 0.00 31.44 30.50 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 0.74 0.55 0.35 0.00 4.20 -1.78 0.50 115.11 119.67 1psy h GLN 78 Ca 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1psy h GLN 78 Cb 0.39 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1psy h GLN 78 CO 0.00 0.37 -0.17 0.00 -0.67 0.00 0.00 178.83 178.36 1psy h GLU 80 N -0.77 0.00 -0.16 0.00 4.57 -1.74 0.21 114.58 116.69 1psy h GLU 80 Ca -0.05 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1psy h GLU 80 Cb 0.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1psy h GLU 80 CO 0.08 0.00 -0.03 0.00 -1.18 0.00 0.00 179.01 177.87 1psy h ALA 81 N 1.26 0.22 0.00 2.92 0.00 0.06 -2.57 119.26 121.16 1psy h ALA 81 Ca 0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1psy h ALA 81 Cb 0.90 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1psy h ALA 81 CO -0.00 -0.02 -0.43 0.82 0.00 0.00 0.00 179.25 179.62 1psy h ILE 82 N 0.02 1.20 0.00 0.00 2.04 -0.47 -2.24 117.51 118.07 1psy h ILE 82 Ca 0.04 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1psy h ILE 82 Cb 0.46 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1psy h ILE 82 CO 0.01 0.42 0.00 0.29 0.00 0.00 0.00 178.15 178.88 1psy n LYS 83 N -3.88 0.08 -0.06 2.37 4.76 -0.74 -1.03 118.16 119.67 1psy n LYS 83 Ca -0.01 0.37 -0.04 0.00 -2.87 0.00 0.00 58.31 55.76 1psy n LYS 83 Cb 0.48 -1.67 -0.01 0.00 -1.84 0.00 0.00 35.03 31.98 1psy n LYS 83 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1psy n TYR 84 N -1.82 0.62 -0.02 2.13 9.36 -0.87 -4.39 117.16 122.17 1psy n TYR 84 Ca 0.02 0.27 -0.11 0.00 3.32 0.00 0.00 57.90 61.40 1psy n TYR 84 Cb 0.16 -0.62 -0.05 0.00 -0.63 0.00 0.00 39.34 38.20 1psy n TYR 84 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 1psy h ILE 85 N -0.79 1.07 -0.07 2.97 6.09 -1.44 0.21 117.51 125.55 1psy h ILE 85 Ca 0.00 -0.17 -0.37 0.00 -1.37 0.00 0.00 64.86 62.95 1psy h ILE 85 Cb 0.46 0.95 -0.04 0.00 0.47 0.00 0.00 36.82 38.66 1psy h ILE 85 CO 0.00 0.06 1.10 0.00 -3.07 0.00 0.00 178.15 176.24 1psy n ALA 86 N -2.15 6.79 0.04 0.18 0.00 -0.20 -3.08 120.51 122.09 1psy n ALA 86 Ca -0.05 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.90 1psy n ALA 86 Cb 0.05 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 2.77 0.00 0.03 0.00 0.00 -1.05 -4.80 120.64 117.57 1psy n GLU 87 Ca 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.60 1psy n GLU 87 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 32.04 1psy n GLU 87 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1psy h ASP 88 N 0.00 0.03 -0.13 4.31 1.82 -0.59 0.12 116.42 121.98 1psy h ASP 88 Ca 0.00 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1psy h ASP 88 Cb 0.00 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 1psy h ASP 88 CO 0.00 0.05 0.07 0.06 -1.61 0.00 0.00 179.24 177.82 1psy h GLN 89 N 0.01 0.19 -0.57 0.28 3.07 -1.75 0.36 115.11 116.70 1psy h GLN 89 Ca 0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.64 1psy h GLN 89 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 1psy h GLN 89 CO -0.00 0.15 -0.01 0.82 0.09 0.00 0.00 178.83 179.88 1psy h ILE 90 N 0.20 1.26 0.13 1.86 2.04 -1.07 0.57 117.51 122.49 1psy h ILE 90 Ca 0.05 -1.12 -0.27 0.00 1.00 0.00 0.00 64.86 64.51 1psy h ILE 90 Cb 0.01 0.83 0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1psy h ILE 90 CO -0.01 0.40 -1.24 1.56 0.00 0.00 0.00 178.15 178.87 1psy h GLN 91 N 0.91 0.30 0.10 2.37 4.20 0.09 -3.24 115.11 119.83 1psy h GLN 91 Ca 0.16 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1psy h GLN 91 Cb 0.54 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1psy h GLN 91 CO 0.03 1.23 -0.05 0.37 -0.67 0.00 0.00 178.83 179.74 1psy h GLN 92 N 0.09 -0.13 -6.88 1.46 -0.00 -0.22 -3.47 115.11 105.96 1psy h GLN 92 Ca -0.14 0.01 -0.37 0.00 -0.00 0.00 0.00 58.65 58.15 1psy h GLN 92 Cb 1.96 0.03 0.21 0.00 0.00 0.00 0.00 27.48 29.68 1psy h GLN 92 CO 0.21 0.04 -0.17 0.41 0.00 0.00 0.00 178.83 179.32 1psy n GLY 93 N 1.36 -3.44 1.61 2.39 0.00 0.20 -4.88 105.19 102.43 1psy n GLY 93 Ca -0.03 -1.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 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 -5.24 1.21 -0.55 1.61 6.02 -1.26 -4.26 117.38 114.91 1psy n GLN 94 Ca 0.11 -0.33 0.05 0.00 -0.01 0.00 0.00 57.00 56.82 1psy n GLN 94 Cb 0.57 -1.18 0.26 0.00 1.02 0.00 0.00 30.24 30.91 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 1.42 3.93 0.00 1.08 7.99 -1.22 -4.88 117.00 125.32 1psy n LEU 95 Ca 0.08 -1.99 -0.20 0.00 -0.01 0.00 0.00 56.01 53.90 1psy n LEU 95 Cb 0.55 -0.58 0.14 0.00 -0.11 0.00 0.00 43.42 43.42 1psy n LEU 95 CO 0.07 0.53 0.58 1.41 -1.51 0.00 0.00 177.39 178.47 1psy n HIS 96 N 0.51 -3.98 0.00 -1.77 8.25 -1.26 -2.03 115.22 114.95 1psy n HIS 96 Ca 0.18 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.86 1psy n HIS 96 Cb 0.81 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1psy n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1psy n GLY 97 N -0.92 1.34 2.72 -1.41 0.00 -1.26 -3.42 105.19 102.24 1psy n GLY 97 Ca 0.11 0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 0.63 -0.91 1.61 2.13 -1.26 -4.98 120.64 117.85 1psy n GLU 98 Ca 0.00 -1.44 -0.05 0.00 0.66 0.00 0.00 57.16 56.33 1psy n GLU 98 Cb 0.00 -0.92 -0.05 0.00 0.27 0.00 0.00 31.44 30.74 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 1.09 0.00 -0.09 5.31 0.28 -1.22 -4.93 120.64 121.08 1psy n GLU 99 Ca 0.05 -0.85 -0.23 0.00 -0.16 0.00 0.00 57.16 55.97 1psy n GLU 99 Cb 0.68 0.35 -0.12 0.00 1.43 0.00 0.00 31.44 33.78 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 0.03 1.94 0.27 -1.84 2.88 -0.86 -4.12 113.62 111.92 1psy n SER 100 Ca -0.19 0.32 0.12 0.00 -1.33 0.00 0.00 58.87 57.78 1psy n SER 100 Cb 0.68 -0.87 0.77 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.71 0.00 0.00 -1.46 4.57 -1.91 0.12 114.58 115.18 1psy h GLU 101 Ca -0.46 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.68 1psy h GLU 101 Cb 1.56 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 1psy h GLU 101 CO -0.19 0.05 -0.21 0.07 -1.18 0.00 0.00 179.01 177.55 1psy h ARG 102 N 0.00 0.00 0.00 1.92 0.11 -1.93 -2.13 114.38 112.35 1psy h ARG 102 Ca -0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 1psy h ARG 102 Cb 0.11 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.16 1psy h ARG 102 CO 0.01 0.21 -1.06 0.28 0.10 0.00 0.00 179.97 179.51 1psy h VAL 103 N 0.00 1.63 -0.09 0.08 2.07 -0.93 -2.76 116.25 116.24 1psy h VAL 103 Ca -0.00 -3.35 -0.01 0.00 0.82 0.00 0.00 66.70 64.16 1psy h VAL 103 Cb 0.52 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1psy h VAL 103 CO 0.03 0.93 0.01 0.00 0.02 0.00 0.00 177.57 178.55 1psy h ALA 104 N 1.01 0.12 0.00 1.67 0.00 -0.96 -2.63 119.26 118.46 1psy h ALA 104 Ca -0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1psy h ALA 104 Cb 1.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1psy h ALA 104 CO 0.12 -0.22 -0.41 -0.56 0.00 0.00 0.00 179.25 178.19 1psy h GLN 105 N -0.11 0.00 0.08 0.00 3.07 -1.60 -3.20 115.11 113.35 1psy h GLN 105 Ca 0.03 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.79 1psy h GLN 105 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.84 1psy h GLN 105 CO 0.00 0.41 -0.22 -0.09 0.09 0.00 0.00 178.83 179.02 1psy h ARG 106 N 0.00 -0.38 -0.88 0.06 2.43 -1.16 -0.64 114.38 113.80 1psy h ARG 106 Ca -0.00 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.39 1psy h ARG 106 Cb 0.77 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 1psy h ARG 106 CO 0.05 -0.25 0.59 0.00 -1.51 0.00 0.00 179.97 178.84 1psy h ALA 107 N 0.41 2.24 -0.70 2.80 0.00 -1.49 -0.80 119.26 121.71 1psy h ALA 107 Ca 0.04 0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.25 1psy h ALA 107 Cb 0.44 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 1psy h ALA 107 CO -0.15 -0.51 0.39 0.41 0.00 0.00 0.00 179.25 179.39 1psy n GLY 108 N -1.53 -0.51 0.13 0.00 0.00 -0.25 0.05 105.19 103.09 1psy n GLY 108 Ca 0.18 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.70 1psy n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1psy h GLU 109 N 0.00 -0.24 0.00 1.61 5.08 -1.26 -0.36 114.58 119.41 1psy h GLU 109 Ca 0.57 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.91 1psy h GLU 109 Cb 1.55 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1psy h GLU 109 CO -0.49 -0.16 -0.17 0.82 -1.00 0.00 0.00 179.01 178.01 1psy h ILE 110 N -0.25 0.61 0.79 3.13 1.08 -0.75 -2.58 117.51 119.54 1psy h ILE 110 Ca -0.01 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 63.67 1psy h ILE 110 Cb 0.22 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1psy h ILE 110 CO -0.04 0.16 -0.42 0.58 -0.69 0.00 0.00 178.15 177.74 1psy h VAL 111 N 0.00 0.00 -0.60 1.67 2.07 -0.18 0.29 116.25 119.50 1psy h VAL 111 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1psy h VAL 111 Cb 0.47 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1psy h VAL 111 CO 0.02 0.00 0.41 -1.28 0.02 0.00 0.00 177.57 176.74 1psy h SER 112 N -1.11 0.33 0.23 0.57 0.87 -0.89 0.37 113.55 113.92 1psy h SER 112 Ca -0.11 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1psy h SER 112 Cb 0.87 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1psy h SER 112 CO 0.15 0.19 -0.11 0.28 -0.53 0.00 0.00 176.83 176.81 1psy h SER 113 N 0.36 -0.26 0.00 6.23 0.02 -1.06 -3.44 113.55 115.39 1psy h SER 113 Ca 0.28 0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 61.02 1psy h SER 113 Cb 0.62 0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.08 1psy h SER 113 CO -0.07 -0.14 -0.37 0.00 -1.14 0.00 0.00 176.83 175.11 1psy n GLY 115 N -0.32 0.45 2.75 0.00 0.00 0.62 -4.22 105.19 104.48 1psy n GLY 115 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.55 0.00 1.61 3.14 0.98 -4.42 118.33 122.19 1psy n VAL 116 Ca 0.00 -1.80 0.00 0.00 -2.96 0.00 0.00 64.34 59.58 1psy n VAL 116 Cb 0.58 -2.30 0.00 0.00 -1.06 0.00 0.00 33.84 31.06 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 5.29 0.00 0.00 1.45 5.12 -1.26 -4.49 116.66 122.78 1psy n ARG 117 Ca 0.51 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 1psy n ARG 117 Cb 0.26 -0.28 0.00 0.00 -1.16 0.00 0.00 32.46 31.28 1psy n ARG 117 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1psy n MET 119 N -0.17 1.36 0.00 0.00 0.00 -1.26 -4.80 117.12 112.25 1psy n MET 119 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 57.70 57.17 1psy n MET 119 Cb 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 31.83 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 -0.29 0.00 -3.80 2.12 0.63 -1.26 -4.87 116.66 109.19 1psy n ARG 120 Ca 0.17 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.74 1psy n ARG 120 Cb 0.21 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.99 1psy n ARG 120 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1psy s GLN 121 N 0.15 3.31 0.30 -0.14 -0.21 -1.26 -5.01 119.66 116.79 1psy s GLN 121 Ca 0.00 -0.70 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 1psy s GLN 121 Cb 0.00 -3.25 -0.10 0.00 1.00 0.00 0.00 33.01 30.66 1psy s GLN 121 CO 0.00 -0.31 1.18 0.95 -2.12 0.00 0.00 175.29 174.99 1psy s THR 122 N 1.52 3.21 0.00 -0.19 -4.23 -1.21 -4.22 115.64 110.53 1psy s THR 122 Ca 0.04 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1psy s THR 122 Cb -0.16 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1psy s THR 122 CO 0.01 0.29 0.00 -1.14 -0.54 0.00 0.00 174.62 173.24 1psy n ARG 123 N 1.09 -1.42 -3.48 3.99 0.63 -1.25 -5.07 116.66 111.15 1psy n ARG 123 Ca -0.01 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.81 1psy n ARG 123 Cb 0.44 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.25 1psy n ARG 123 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1psy s THR 124 N -2.00 -0.53 -2.00 5.15 -4.23 -1.26 -4.62 115.64 106.14 1psy s THR 124 Ca 0.00 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1psy s THR 124 Cb 0.00 -0.70 0.28 0.00 1.34 0.00 0.00 72.50 73.41 1psy s THR 124 CO 0.00 -0.06 1.02 0.59 -0.54 0.00 0.00 174.62 175.63