#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 0.54 0.34 0.00 -6.30 -1.26 -5.04 118.70 106.97 1psy s GLU 2 Ca 0.00 1.24 -0.27 0.00 -2.50 0.00 0.00 54.97 53.44 1psy s GLU 2 Cb 0.00 0.73 -0.09 0.00 0.00 0.00 0.00 34.13 34.77 1psy s GLU 2 CO 0.00 -0.31 1.07 0.12 0.02 0.00 0.00 175.26 176.16 1psy s PHE 3 N 2.85 3.44 -0.59 5.30 2.19 -1.26 -4.97 117.98 124.94 1psy s PHE 3 Ca 0.02 1.68 -0.05 0.00 0.33 0.00 0.00 56.93 58.91 1psy s PHE 3 Cb -0.12 -3.19 -0.12 0.00 -1.31 0.00 0.00 43.02 38.28 1psy s PHE 3 CO -0.19 -0.55 2.44 0.00 1.83 0.00 0.00 175.22 178.75 1psy n MET 4 N 0.58 1.95 -3.90 10.12 0.00 -1.26 -4.81 117.12 119.79 1psy n MET 4 Ca 0.02 -1.19 -0.10 0.00 0.00 0.00 0.00 57.70 56.42 1psy n MET 4 Cb 0.47 -2.21 -0.10 0.00 0.00 0.00 0.00 33.22 31.38 1psy n MET 4 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1psy s GLU 5 N 2.45 0.44 0.00 3.17 0.41 -1.26 -5.13 118.70 118.77 1psy s GLU 5 Ca 0.46 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.55 1psy s GLU 5 Cb 0.16 0.18 0.00 0.00 -1.78 0.00 0.00 34.13 32.69 1psy s GLU 5 CO -0.02 -0.10 0.00 0.43 -0.49 0.00 0.00 175.26 175.08 1psy n SER 6 N 1.47 0.00 -3.21 -0.19 7.64 -1.26 -5.17 113.62 112.90 1psy n SER 6 Ca -0.23 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.69 1psy n SER 6 Cb 0.55 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.73 1psy n SER 6 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1psy s LYS 7 N 0.00 0.21 0.00 1.43 1.02 -1.26 -5.14 119.74 116.00 1psy s LYS 7 Ca 0.00 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1psy s LYS 7 Cb 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 1psy s LYS 7 CO 0.00 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1psy n GLY 8 N 5.28 2.07 1.91 -3.33 0.00 -1.26 -5.12 105.19 104.74 1psy n GLY 8 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 -3.83 1.61 2.13 -1.26 -5.17 120.64 114.12 1psy n GLU 9 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1psy n GLU 9 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 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 -2.00 1.81 -0.16 5.31 6.06 -1.26 -5.16 118.95 123.55 1psy s ARG 10 Ca 0.00 -1.11 -0.05 0.00 -2.50 0.00 0.00 55.73 52.07 1psy s ARG 10 Cb 0.00 0.54 0.06 0.00 0.06 0.00 0.00 34.95 35.61 1psy s ARG 10 CO 0.00 -0.84 0.11 -2.00 -2.50 0.00 0.00 175.30 170.07 1psy s GLU 11 N -2.78 0.07 0.00 5.12 2.56 -1.26 -4.95 118.70 117.46 1psy s GLU 11 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.15 1psy s GLU 11 Cb -0.04 -1.56 0.00 0.00 2.00 0.00 0.00 34.13 34.53 1psy s GLU 11 CO 0.08 -0.62 0.00 0.41 -0.56 0.00 0.00 175.26 174.57 1psy n GLY 12 N 5.29 0.00 2.44 -1.50 0.00 -1.26 -5.10 105.19 105.06 1psy n GLY 12 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.90 -4.47 1.61 2.88 -1.26 -5.14 113.62 106.34 1psy n SER 13 Ca 0.00 -2.45 -0.32 0.00 -1.33 0.00 0.00 58.87 54.78 1psy n SER 13 Cb 0.00 -0.24 0.15 0.00 -0.75 0.00 0.00 64.21 63.38 1psy n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1psy n SER 14 N 2.85 -1.48 -3.22 -3.46 3.41 -1.26 -5.01 113.62 105.45 1psy n SER 14 Ca 0.28 0.25 -0.23 0.00 -0.26 0.00 0.00 58.87 58.91 1psy n SER 14 Cb 0.49 -1.25 0.22 0.00 -0.26 0.00 0.00 64.21 63.42 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 -2.43 -3.63 -0.28 4.04 2.88 -1.26 -4.82 113.62 108.11 1psy n SER 15 Ca 0.07 -0.66 0.03 0.00 -1.33 0.00 0.00 58.87 56.98 1psy n SER 15 Cb 0.54 -0.78 0.08 0.00 -0.75 0.00 0.00 64.21 63.30 1psy n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1psy n GLN 16 N -4.49 -0.11 -1.95 -1.46 7.27 -1.26 -3.64 117.38 111.75 1psy n GLN 16 Ca 0.10 1.18 -0.02 0.00 0.07 0.00 0.00 57.00 58.34 1psy n GLN 16 Cb 0.45 -1.76 0.06 0.00 2.41 0.00 0.00 30.24 31.40 1psy n GLN 16 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1psy n GLN 17 N -5.20 0.65 0.38 3.69 7.27 -1.26 -5.04 117.38 117.88 1psy n GLN 17 Ca 0.11 -0.67 -0.18 0.00 0.07 0.00 0.00 57.00 56.33 1psy n GLN 17 Cb 0.35 0.28 -0.09 0.00 2.41 0.00 0.00 30.24 33.20 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 -5.48 -0.04 0.00 0.00 0.63 -1.26 0.33 116.66 110.83 1psy n ARG 19 Ca -0.14 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 1psy n ARG 19 Cb 0.39 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.66 1psy n ARG 19 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1psy n GLN 20 N -4.62 0.00 0.19 -0.14 7.27 -1.17 -1.10 117.38 117.80 1psy n GLN 20 Ca 0.23 0.65 0.07 0.00 0.07 0.00 0.00 57.00 58.01 1psy n GLN 20 Cb 0.76 -1.46 0.25 0.00 2.41 0.00 0.00 30.24 32.20 1psy n GLN 20 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1psy h GLU 21 N 0.00 0.00 0.08 3.69 4.39 -0.99 -3.19 114.58 118.56 1psy h GLU 21 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1psy h GLU 21 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1psy h GLU 21 CO 0.00 0.31 -0.25 0.28 -1.16 0.00 0.00 179.01 178.19 1psy h VAL 22 N 0.00 0.00 0.00 3.13 2.07 -0.18 -3.21 116.25 118.06 1psy h VAL 22 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1psy h VAL 22 Cb 1.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1psy h VAL 22 CO 0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1psy n GLN 23 N -3.84 0.23 0.08 1.57 -0.00 -0.26 0.12 117.38 115.28 1psy n GLN 23 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 1psy n GLN 23 Cb 0.20 -1.39 0.00 0.00 -0.00 0.00 0.00 30.24 29.05 1psy n GLN 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1psy n ARG 24 N 1.35 0.00 -0.00 2.61 1.74 -1.24 -4.95 116.66 116.17 1psy n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1psy n ARG 24 Cb 0.11 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.55 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 -2.94 2.08 0.00 5.56 2.85 -0.82 -4.85 118.16 120.04 1psy n LYS 25 Ca 0.00 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1psy n LYS 25 Cb 0.00 -0.86 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 1psy n LYS 25 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1psy n ASP 26 N -1.36 0.00 -2.69 -5.58 5.75 0.12 -3.54 116.55 109.25 1psy n ASP 26 Ca -0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.59 1psy n ASP 26 Cb 0.01 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.03 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 5.07 -1.72 -2.12 7.99 -1.26 -4.34 117.00 120.62 1psy n LEU 27 Ca 0.00 -2.94 0.08 0.00 -0.01 0.00 0.00 56.01 53.14 1psy n LEU 27 Cb 0.00 -1.15 0.37 0.00 -0.11 0.00 0.00 43.42 42.54 1psy n LEU 27 CO 0.00 1.12 0.83 -0.24 -1.51 0.00 0.00 177.39 177.59 1psy n SER 28 N 3.32 5.15 0.00 -1.43 2.88 -1.26 -4.15 113.62 118.13 1psy n SER 28 Ca 0.44 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 55.29 1psy n SER 28 Cb 0.41 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 0.81 0.00 0.35 -3.46 2.88 -1.26 -4.66 113.62 108.28 1psy n SER 29 Ca 0.26 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.62 1psy n SER 29 Cb 1.03 0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 64.44 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 -1.02 0.06 -0.07 0.00 3.07 -1.92 -3.13 114.58 111.58 1psy h GLU 31 Ca -0.08 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.70 1psy h GLU 31 Cb 0.84 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1psy h GLU 31 CO 0.04 0.83 -0.06 -0.09 -1.40 0.00 0.00 179.01 178.33 1psy h ARG 32 N 0.03 0.10 -0.20 2.33 9.65 -1.74 -2.14 114.38 122.42 1psy h ARG 32 Ca -0.02 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1psy h ARG 32 Cb 1.42 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.96 1psy h ARG 32 CO 0.11 0.18 0.03 -0.92 2.80 0.00 0.00 179.97 182.17 1psy h TYR 33 N 0.10 0.04 0.00 2.20 3.20 -0.37 0.73 116.97 122.87 1psy h TYR 33 Ca 0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1psy h TYR 33 Cb 0.19 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1psy h TYR 33 CO 0.00 0.01 -0.34 1.37 -1.64 0.00 0.00 178.16 177.56 1psy h LEU 34 N 0.10 0.00 -0.38 2.82 8.10 -1.59 -2.99 115.31 121.37 1psy h LEU 34 Ca 0.09 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.92 1psy h LEU 34 Cb 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 1psy h LEU 34 CO -0.13 0.34 -0.38 -0.09 -4.11 0.00 0.00 178.44 174.07 1psy h ARG 35 N 0.00 0.92 0.00 0.17 1.12 -0.65 -3.45 114.38 112.49 1psy h ARG 35 Ca -0.00 -0.49 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 1psy h ARG 35 Cb 0.76 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.74 1psy h ARG 35 CO 0.04 1.14 0.00 0.94 -3.11 0.00 0.00 179.97 178.98 1psy n GLN 36 N -4.08 0.49 0.00 0.20 0.00 0.16 -5.08 117.38 109.07 1psy n GLN 36 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1psy n GLN 36 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.78 1psy n GLN 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1psy n SER 37 N -1.40 0.00 -3.15 1.69 2.88 -1.26 -4.97 113.62 107.41 1psy n SER 37 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1psy n SER 37 Cb 0.00 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.53 1psy n SER 37 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1psy s SER 38 N -3.23 -1.18 0.31 -3.46 0.15 -1.26 -5.13 113.70 99.90 1psy s SER 38 Ca 0.00 0.60 -0.08 0.00 0.70 0.00 0.00 55.95 57.18 1psy s SER 38 Cb 0.00 1.93 0.01 0.00 -1.71 0.00 0.00 66.02 66.25 1psy s SER 38 CO 0.00 -0.22 0.50 -0.55 1.20 0.00 0.00 173.24 174.17 1psy s SER 39 N 2.88 0.43 -0.27 5.45 0.15 -1.26 -5.17 113.70 115.91 1psy s SER 39 Ca 0.15 -1.25 -0.15 0.00 0.70 0.00 0.00 55.95 55.40 1psy s SER 39 Cb -0.13 0.65 0.08 0.00 -1.71 0.00 0.00 66.02 64.92 1psy s SER 39 CO -0.20 -1.28 0.66 -0.60 1.20 0.00 0.00 173.24 173.03 1psy s ARG 40 N -3.33 0.67 0.11 5.44 3.00 -1.26 -5.14 118.95 118.44 1psy s ARG 40 Ca 0.26 1.21 -0.34 0.00 -1.00 0.00 0.00 55.73 55.85 1psy s ARG 40 Cb -0.01 0.18 -0.18 0.00 0.00 0.00 0.00 34.95 34.94 1psy s ARG 40 CO 0.15 -0.15 0.98 -2.13 0.00 0.00 0.00 175.30 174.15 1psy n ARG 41 N 4.40 0.46 0.00 5.12 0.63 -1.26 -4.99 116.66 121.01 1psy n ARG 41 Ca -0.20 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1psy n ARG 41 Cb 0.58 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.94 1psy n ARG 41 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1psy n SER 42 N 1.84 -0.45 -4.54 6.15 2.88 -1.26 -4.64 113.62 113.60 1psy n SER 42 Ca 0.18 -0.30 -0.25 0.00 -1.33 0.00 0.00 58.87 57.16 1psy n SER 42 Cb 0.18 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.55 1psy n SER 42 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1psy n THR 43 N -1.49 -0.03 0.00 2.46 -2.24 -1.26 -3.97 114.28 107.75 1psy n THR 43 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1psy n THR 43 Cb 0.00 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 1psy n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1psy n GLY 44 N 6.31 -0.45 1.07 3.38 0.00 -1.26 -4.95 105.19 109.28 1psy n GLY 44 Ca 0.50 0.57 -0.02 0.00 0.00 0.00 0.00 46.02 47.07 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 0.00 1.18 -1.33 1.61 2.13 -1.26 -4.93 120.64 118.04 1psy n GLU 45 Ca 0.00 -0.33 -0.28 0.00 0.66 0.00 0.00 57.16 57.21 1psy n GLU 45 Cb 0.00 -1.19 -0.17 0.00 0.27 0.00 0.00 31.44 30.35 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 0.28 0.00 -1.14 5.31 2.13 -1.26 -4.74 120.64 121.22 1psy n GLU 46 Ca 0.06 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.71 1psy n GLU 46 Cb 0.59 -1.11 -0.12 0.00 0.27 0.00 0.00 31.44 31.07 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 5.76 3.06 -0.03 6.31 0.31 -1.26 -3.62 118.33 128.86 1psy n VAL 47 Ca 0.60 -1.96 0.03 0.00 -0.01 0.00 0.00 64.34 62.99 1psy n VAL 47 Cb 0.08 -1.83 -0.12 0.00 -0.91 0.00 0.00 33.84 31.05 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 1.87 0.00 -0.50 7.52 -0.00 -1.26 -4.60 117.00 120.04 1psy n LEU 48 Ca 0.43 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.51 1psy n LEU 48 Cb 0.77 0.11 0.15 0.00 -0.00 0.00 0.00 43.42 44.46 1psy n LEU 48 CO 0.19 0.11 0.40 -1.14 -0.00 0.00 0.00 177.39 176.95 1psy n ARG 49 N -2.21 1.21 -3.63 1.47 0.00 -1.24 -4.94 116.66 107.33 1psy n ARG 49 Ca -0.10 -2.76 -0.38 0.00 -0.00 0.00 0.00 57.85 54.62 1psy n ARG 49 Cb 0.59 -1.34 -0.07 0.00 0.00 0.00 0.00 32.46 31.64 1psy n ARG 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1psy s MET 50 N -2.56 2.99 0.15 -0.14 -1.94 -1.26 -5.07 119.30 111.48 1psy s MET 50 Ca 0.33 -2.79 -0.30 0.00 -1.71 0.00 0.00 55.69 51.22 1psy s MET 50 Cb 0.31 -3.93 -0.08 0.00 2.01 0.00 0.00 34.83 33.15 1psy s MET 50 CO -0.04 -1.22 1.30 -1.25 -0.01 0.00 0.00 175.02 173.79 1psy s PRO 51 N -0.49 4.39 -0.41 2.03 0.04 -1.26 -5.00 135.00 134.30 1psy s PRO 51 Ca 0.21 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1psy s PRO 51 Cb -0.14 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.29 1psy s PRO 51 CO -0.07 -0.28 0.23 0.20 0.04 0.00 0.00 177.00 177.12 1psy s GLY 52 N 0.62 1.42 0.50 0.56 0.00 -1.26 -4.99 107.32 104.18 1psy s GLY 52 Ca 0.58 -2.37 0.29 0.00 0.00 0.00 0.00 44.72 43.23 1psy s GLY 52 CO 0.34 1.70 1.84 -0.55 0.00 0.00 0.00 173.10 176.44 1psy h ASP 53 N 6.84 0.12 0.00 1.64 5.19 -1.97 -1.85 116.42 126.39 1psy h ASP 53 Ca 0.01 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1psy h ASP 53 Cb 0.94 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1psy h ASP 53 CO 0.42 0.03 0.00 -0.62 -3.12 0.00 0.00 179.24 175.95 1psy n GLU 54 N -4.33 1.00 -3.54 3.56 -0.58 -1.26 -4.78 120.64 110.70 1psy n GLU 54 Ca 0.22 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.89 1psy n GLU 54 Cb 1.00 -1.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1psy n GLU 54 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1psy s ASN 55 N 1.42 -0.28 -0.85 1.62 0.01 -0.70 -4.95 114.94 111.22 1psy s ASN 55 Ca 0.00 0.03 -0.23 0.00 -0.71 0.00 0.00 52.86 51.95 1psy s ASN 55 Cb 0.00 0.29 -0.21 0.00 0.41 0.00 0.00 41.25 41.74 1psy s ASN 55 CO 0.00 -0.45 2.43 1.67 -1.51 0.00 0.00 177.10 179.24 1psy n GLN 56 N -0.10 0.33 -3.06 -0.60 0.00 -1.26 -4.80 117.38 107.89 1psy n GLN 56 Ca -0.05 -0.17 -0.28 0.00 -0.00 0.00 0.00 57.00 56.50 1psy n GLN 56 Cb 0.60 -2.21 -0.05 0.00 0.00 0.00 0.00 30.24 28.58 1psy n GLN 56 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1psy n GLN 57 N 7.83 3.15 0.06 3.69 0.00 -1.26 -3.29 117.38 127.56 1psy n GLN 57 Ca 0.57 -4.81 0.00 0.00 -0.00 0.00 0.00 57.00 52.76 1psy n GLN 57 Cb 0.25 -2.26 0.00 0.00 0.00 0.00 0.00 30.24 28.23 1psy n GLN 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1psy n GLN 58 N 0.07 0.00 -2.81 3.69 0.00 -1.26 -5.00 117.38 112.07 1psy n GLN 58 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 57.30 1psy n GLN 58 Cb 0.39 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.68 1psy n GLN 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1psy n GLU 59 N -2.79 1.63 -1.76 3.69 1.02 -1.26 -4.82 120.64 116.35 1psy n GLU 59 Ca 0.00 -3.33 -0.02 0.00 -0.02 0.00 0.00 57.16 53.80 1psy n GLU 59 Cb 0.00 -1.43 0.04 0.00 -0.02 0.00 0.00 31.44 30.03 1psy n GLU 59 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1psy n SER 60 N -0.59 -0.73 0.15 1.62 2.88 -1.26 -4.97 113.62 110.73 1psy n SER 60 Ca 0.06 -1.50 0.09 0.00 -1.33 0.00 0.00 58.87 56.19 1psy n SER 60 Cb 0.81 0.32 0.49 0.00 -0.75 0.00 0.00 64.21 65.07 1psy n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1psy n GLN 61 N -0.61 0.12 0.25 -1.46 10.64 -1.21 -2.20 117.38 122.91 1psy n GLN 61 Ca -0.11 0.61 -0.13 0.00 -1.83 0.00 0.00 57.00 55.54 1psy n GLN 61 Cb 0.65 -1.98 -0.07 0.00 -0.86 0.00 0.00 30.24 27.98 1psy n GLN 61 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 1psy h GLN 62 N 0.00 -0.65 0.00 2.61 1.08 -1.93 -3.15 115.11 113.07 1psy h GLN 62 Ca 0.00 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1psy h GLN 62 Cb 0.19 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1psy h GLN 62 CO 0.00 -0.36 -0.10 -0.07 -0.95 0.00 0.00 178.83 177.35 1psy h LEU 63 N -1.07 0.00 -1.31 1.46 4.07 -1.81 -0.14 115.31 116.51 1psy h LEU 63 Ca -0.07 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.03 1psy h LEU 63 Cb 0.59 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.26 1psy h LEU 63 CO 0.11 0.10 0.56 -0.61 -1.08 0.00 0.00 178.44 177.53 1psy h GLN 64 N 0.00 0.66 -0.73 1.13 4.15 -1.53 0.11 115.11 118.90 1psy h GLN 64 Ca -0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1psy h GLN 64 Cb 0.22 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1psy h GLN 64 CO 0.01 0.44 0.29 0.37 -1.93 0.00 0.00 178.83 178.01 1psy h GLN 65 N 0.68 1.09 -0.16 1.69 4.15 -0.97 0.24 115.11 121.84 1psy h GLN 65 Ca 0.43 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 1psy h GLN 65 Cb 0.69 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1psy h GLN 65 CO -0.19 0.90 0.01 0.00 -1.93 0.00 0.00 178.83 177.62 1psy h ASN 68 N -0.07 0.46 0.22 0.00 -1.24 -0.97 0.24 115.58 114.21 1psy h ASN 68 Ca 0.01 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1psy h ASN 68 Cb 0.13 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1psy h ASN 68 CO -0.00 0.23 -0.11 1.56 -1.29 0.00 0.00 177.43 177.81 1psy h GLN 69 N 0.59 -0.29 -0.24 6.67 1.08 -0.08 -1.13 115.11 121.70 1psy h GLN 69 Ca 0.40 0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.57 1psy h GLN 69 Cb 0.50 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1psy h GLN 69 CO -0.32 -0.20 -0.09 0.28 -0.95 0.00 0.00 178.83 177.56 1psy h VAL 70 N -0.31 1.19 0.00 -0.54 2.07 -0.12 -1.17 116.25 117.38 1psy h VAL 70 Ca -0.03 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1psy h VAL 70 Cb 0.24 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1psy h VAL 70 CO 0.04 0.27 -0.12 0.50 0.02 0.00 0.00 177.57 178.27 1psy h LYS 71 N 0.36 0.00 -0.03 1.57 1.63 0.51 -0.54 116.57 120.06 1psy h LYS 71 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1psy h LYS 71 Cb 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1psy h LYS 71 CO 0.02 0.12 0.00 0.00 -3.45 0.00 0.00 179.45 176.14 1psy n GLN 72 N -3.51 1.82 -0.34 1.90 10.64 -0.50 -4.99 117.38 122.40 1psy n GLN 72 Ca -0.01 -1.20 -0.29 0.00 -1.83 0.00 0.00 57.00 53.67 1psy n GLN 72 Cb 0.27 -1.47 0.27 0.00 -0.86 0.00 0.00 30.24 28.45 1psy n GLN 72 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1psy n VAL 73 N 0.45 0.00 0.00 -0.39 3.14 -0.21 -4.81 118.33 116.51 1psy n VAL 73 Ca 0.18 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1psy n VAL 73 Cb 0.41 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 1psy n VAL 73 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1psy n ARG 74 N -5.13 0.00 0.00 1.45 5.12 -1.26 -4.96 116.66 111.87 1psy n ARG 74 Ca 0.09 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1psy n ARG 74 Cb 0.57 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 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 0.00 0.55 8.00 -1.26 -4.96 116.55 117.25 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 0.34 0.00 -1.24 0.28 -1.26 -3.85 120.64 114.90 1psy n GLU 76 Ca 0.00 -0.54 0.04 0.00 -0.16 0.00 0.00 57.16 56.51 1psy n GLU 76 Cb 0.00 -0.58 0.01 0.00 1.43 0.00 0.00 31.44 32.30 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 1.22 0.00 0.18 0.00 -0.00 -1.97 -1.09 115.11 113.45 1psy h GLN 78 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1psy h GLN 78 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1psy h GLN 78 CO 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 178.83 178.74 1psy h GLU 80 N -0.61 0.17 -0.93 0.00 4.57 -1.84 -0.51 114.58 115.43 1psy h GLU 80 Ca -0.02 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.31 1psy h GLU 80 Cb 0.19 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.64 1psy h GLU 80 CO 0.04 0.11 0.52 0.00 -1.18 0.00 0.00 179.01 178.50 1psy h ALA 81 N 1.74 1.46 -0.08 2.92 0.00 -1.23 -0.26 119.26 123.82 1psy h ALA 81 Ca 0.24 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1psy h ALA 81 Cb 0.73 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1psy h ALA 81 CO -0.04 -0.06 0.00 0.82 0.00 0.00 0.00 179.25 179.98 1psy h ILE 82 N 0.70 0.95 0.00 0.00 1.08 -0.91 -1.92 117.51 117.41 1psy h ILE 82 Ca 0.52 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.98 1psy h ILE 82 Cb 0.76 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1psy h ILE 82 CO -0.37 0.01 0.00 0.29 -0.69 0.00 0.00 178.15 177.39 1psy n LYS 83 N -5.10 0.08 -0.33 2.37 4.01 -0.58 -0.10 118.16 118.50 1psy n LYS 83 Ca -0.05 0.26 0.11 0.00 -0.51 0.00 0.00 58.31 58.11 1psy n LYS 83 Cb 0.06 -1.50 0.29 0.00 -0.51 0.00 0.00 35.03 33.37 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 -1.36 0.87 0.14 2.13 9.36 -0.21 -3.45 117.16 124.63 1psy n TYR 84 Ca 0.03 -0.49 0.00 0.00 3.32 0.00 0.00 57.90 60.76 1psy n TYR 84 Cb 0.08 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.78 1psy n TYR 84 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 1psy n ILE 85 N 1.43 0.00 0.10 2.97 0.13 -0.72 -4.64 119.36 118.63 1psy n ILE 85 Ca 0.22 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.82 1psy n ILE 85 Cb 0.58 -0.20 -0.02 0.00 -0.84 0.00 0.00 39.64 39.17 1psy n ILE 85 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1psy h ALA 86 N 0.00 -0.99 -0.06 1.51 0.00 -0.76 0.31 119.26 119.27 1psy h ALA 86 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1psy h ALA 86 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1psy h ALA 86 CO 0.00 -0.98 -0.48 1.49 0.00 0.00 0.00 179.25 179.29 1psy h GLU 87 N -0.29 0.15 0.91 0.00 4.81 -1.74 -1.97 114.58 116.45 1psy h GLU 87 Ca -0.03 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1psy h GLU 87 Cb 0.23 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1psy h GLU 87 CO 0.03 0.60 -0.44 0.22 -0.73 0.00 0.00 179.01 178.69 1psy h ASP 88 N 0.12 -1.03 -0.88 1.04 3.58 -1.60 -0.64 116.42 117.00 1psy h ASP 88 Ca 0.01 0.03 0.11 0.00 0.42 0.00 0.00 57.03 57.59 1psy h ASP 88 Cb 0.89 0.27 -0.07 0.00 1.72 0.00 0.00 39.33 42.14 1psy h ASP 88 CO 0.07 -0.70 0.57 0.06 -2.88 0.00 0.00 179.24 176.36 1psy h GLN 89 N -1.29 0.81 -0.42 0.28 3.07 -0.99 0.23 115.11 116.79 1psy h GLN 89 Ca -0.12 -0.05 0.04 0.00 0.09 0.00 0.00 58.65 58.61 1psy h GLN 89 Cb 0.94 -0.18 -0.04 0.00 0.08 0.00 0.00 27.48 28.28 1psy h GLN 89 CO 0.21 0.54 0.19 0.82 0.09 0.00 0.00 178.83 180.67 1psy h ILE 90 N 0.83 0.94 -0.07 1.86 2.04 -0.91 0.27 117.51 122.47 1psy h ILE 90 Ca 0.42 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 66.09 1psy h ILE 90 Cb 0.48 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1psy h ILE 90 CO -0.18 0.07 -0.17 1.56 0.00 0.00 0.00 178.15 179.43 1psy h GLN 91 N 0.39 0.24 0.59 2.37 4.20 -0.02 -3.19 115.11 119.69 1psy h GLN 91 Ca 0.19 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1psy h GLN 91 Cb 0.12 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1psy h GLN 91 CO -0.15 0.76 -0.28 0.37 -0.67 0.00 0.00 178.83 178.86 1psy h GLN 92 N -0.24 -0.76 -7.22 1.46 5.75 -0.47 -3.45 115.11 110.19 1psy h GLN 92 Ca 0.00 0.05 -0.43 0.00 -0.15 0.00 0.00 58.65 58.13 1psy h GLN 92 Cb 0.76 0.17 0.20 0.00 1.07 0.00 0.00 27.48 29.68 1psy h GLN 92 CO 0.04 -0.45 0.05 0.20 -2.65 0.00 0.00 178.83 176.02 1psy s GLY 93 N -2.44 1.53 0.00 2.39 0.00 0.93 -4.91 107.32 104.82 1psy s GLY 93 Ca -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1psy s GLY 93 CO 0.51 0.33 1.44 -1.06 0.00 0.00 0.00 173.10 174.31 1psy n GLN 94 N -4.85 0.83 -0.29 2.90 6.02 -1.26 -4.23 117.38 116.50 1psy n GLN 94 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.08 1psy n GLN 94 Cb 0.57 -1.08 0.15 0.00 1.02 0.00 0.00 30.24 30.89 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 1.31 2.44 0.00 1.08 7.99 -1.21 -4.80 117.00 123.81 1psy n LEU 95 Ca 0.00 -1.23 -0.21 0.00 -0.01 0.00 0.00 56.01 54.56 1psy n LEU 95 Cb 0.42 -0.46 0.10 0.00 -0.11 0.00 0.00 43.42 43.37 1psy n LEU 95 CO 0.00 0.39 0.49 1.41 -1.51 0.00 0.00 177.39 178.17 1psy n HIS 96 N 0.27 -2.88 0.00 -1.77 8.25 -1.25 0.05 115.22 117.88 1psy n HIS 96 Ca 0.10 -1.67 0.00 0.00 -0.26 0.00 0.00 57.72 55.89 1psy n HIS 96 Cb 0.50 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.97 2.07 1.58 -1.41 0.00 -1.26 -3.48 105.19 100.72 1psy n GLY 97 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.44 -0.56 1.61 2.13 -1.26 -4.99 120.64 118.02 1psy n GLU 98 Ca 0.00 -0.61 0.01 0.00 0.66 0.00 0.00 57.16 57.21 1psy n GLU 98 Cb 0.00 0.34 0.01 0.00 0.27 0.00 0.00 31.44 32.06 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 -0.50 0.04 -0.01 5.31 0.28 -1.23 -4.81 120.64 119.72 1psy n GLU 99 Ca -0.12 -1.13 -0.22 0.00 -0.16 0.00 0.00 57.16 55.54 1psy n GLU 99 Cb 0.62 -0.50 -0.13 0.00 1.43 0.00 0.00 31.44 32.86 1psy n GLU 99 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1psy h SER 100 N 0.07 0.34 0.28 -1.84 0.87 -0.65 -3.30 113.55 109.32 1psy h SER 100 Ca -0.02 -0.84 -0.12 0.00 -1.23 0.00 0.00 61.79 59.58 1psy h SER 100 Cb 1.42 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1psy h SER 100 CO 0.01 1.73 -0.47 -0.33 -0.53 0.00 0.00 176.83 177.24 1psy h GLU 101 N -0.23 0.23 -0.10 2.24 3.07 -1.88 -1.95 114.58 115.97 1psy h GLU 101 Ca -0.38 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.32 1psy h GLU 101 Cb 1.83 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.74 1psy h GLU 101 CO 0.03 0.66 -0.09 0.07 -1.40 0.00 0.00 179.01 178.28 1psy h ARG 102 N 0.19 0.15 0.05 2.33 -0.00 -1.88 -2.55 114.38 112.67 1psy h ARG 102 Ca 0.01 -0.03 -0.23 0.00 -0.00 0.00 0.00 59.98 59.74 1psy h ARG 102 Cb 0.91 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.84 1psy h ARG 102 CO 0.07 0.26 -1.05 0.28 -0.00 0.00 0.00 179.97 179.53 1psy h VAL 103 N 0.15 1.58 -0.98 0.08 2.07 -1.45 -3.00 116.25 114.69 1psy h VAL 103 Ca 0.03 -3.07 0.02 0.00 0.82 0.00 0.00 66.70 64.51 1psy h VAL 103 Cb 0.26 2.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 1psy h VAL 103 CO 0.01 0.89 0.65 0.00 0.02 0.00 0.00 177.57 179.14 1psy h ALA 104 N 0.85 1.32 0.25 1.67 0.00 -1.02 -1.35 119.26 120.98 1psy h ALA 104 Ca -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1psy h ALA 104 Cb 1.76 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1psy h ALA 104 CO 0.16 0.61 -0.12 0.37 0.00 0.00 0.00 179.25 180.27 1psy h GLN 105 N 1.30 -0.32 -0.61 0.00 4.15 -1.48 -1.44 115.11 116.72 1psy h GLN 105 Ca 0.37 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.92 1psy h GLN 105 Cb -0.09 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.59 1psy h GLN 105 CO -0.10 -0.14 0.16 0.00 -1.93 0.00 0.00 178.83 176.82 1psy h ARG 106 N -0.42 0.30 0.48 1.69 -0.00 -1.30 -1.51 114.38 113.62 1psy h ARG 106 Ca -0.03 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.40 1psy h ARG 106 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.23 1psy h ARG 106 CO 0.06 0.20 -0.23 0.00 0.00 0.00 0.00 179.97 179.99 1psy h ALA 107 N 1.46 -0.65 -1.56 0.04 0.00 -1.26 -3.13 119.26 114.17 1psy h ALA 107 Ca 0.32 -0.17 0.49 0.00 0.00 0.00 0.00 54.91 55.54 1psy h ALA 107 Cb 0.45 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 1psy h ALA 107 CO -0.38 -0.79 1.07 0.41 0.00 0.00 0.00 179.25 179.56 1psy n GLY 108 N -0.96 -0.85 0.41 0.00 0.00 -0.54 -0.48 105.19 102.77 1psy n GLY 108 Ca -0.11 0.67 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.80 0.00 1.61 5.08 -1.24 -0.29 114.58 118.94 1psy h GLU 109 Ca 0.84 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 59.20 1psy h GLU 109 Cb 3.06 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 32.49 1psy h GLU 109 CO -0.22 -0.53 -0.29 0.82 -1.00 0.00 0.00 179.01 177.79 1psy h ILE 110 N -0.83 0.75 0.23 3.13 1.08 -0.90 -2.05 117.51 118.91 1psy h ILE 110 Ca -0.05 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.19 1psy h ILE 110 Cb 0.72 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1psy h ILE 110 CO -0.05 0.28 -0.11 0.58 -0.69 0.00 0.00 178.15 178.16 1psy h VAL 111 N 0.00 0.00 -0.54 1.67 2.07 -0.87 0.27 116.25 118.85 1psy h VAL 111 Ca -0.00 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1psy h VAL 111 Cb 0.75 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1psy h VAL 111 CO 0.04 0.00 0.52 0.28 0.02 0.00 0.00 177.57 178.43 1psy h SER 112 N -0.31 0.00 0.00 0.57 0.02 -1.02 0.93 113.55 113.75 1psy h SER 112 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1psy h SER 112 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1psy h SER 112 CO 0.05 0.00 0.00 -0.24 -1.14 0.00 0.00 176.83 175.50 1psy n SER 113 N -3.82 0.00 -1.36 3.07 2.88 -0.78 -4.84 113.62 108.78 1psy n SER 113 Ca 0.10 0.41 0.01 0.00 -1.33 0.00 0.00 58.87 58.07 1psy n SER 113 Cb 0.73 -0.19 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.35 2.12 2.94 0.00 0.00 0.69 -4.27 105.19 107.01 1psy n GLY 115 Ca -0.04 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1psy n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1psy n VAL 116 N -0.30 1.62 0.00 1.61 0.31 0.08 -4.29 118.33 117.37 1psy n VAL 116 Ca 0.07 -1.16 0.00 0.00 -0.01 0.00 0.00 64.34 63.25 1psy n VAL 116 Cb 0.81 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1psy n VAL 116 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1psy n ARG 117 N 5.76 0.00 0.00 5.55 5.12 -1.26 -4.51 116.66 127.32 1psy n ARG 117 Ca 0.41 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 1psy n ARG 117 Cb 0.25 -0.29 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 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 -0.06 2.05 0.14 0.00 2.81 -1.26 -4.73 117.12 116.06 1psy n MET 119 Ca 0.00 -1.56 0.00 0.00 -1.81 0.00 0.00 57.70 54.33 1psy n MET 119 Cb 0.19 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 0.82 0.00 -3.68 0.03 0.00 -1.26 -4.87 116.66 107.69 1psy n ARG 120 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.90 1psy n ARG 120 Cb 0.46 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.80 1psy n ARG 120 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1psy s GLN 121 N -1.65 0.20 0.02 -0.14 -1.52 -1.26 -5.04 119.66 110.26 1psy s GLN 121 Ca 0.00 0.71 -0.30 0.00 -1.95 0.00 0.00 55.36 53.82 1psy s GLN 121 Cb 0.00 -0.03 -0.04 0.00 -0.22 0.00 0.00 33.01 32.72 1psy s GLN 121 CO 0.00 -0.24 0.98 0.95 -0.25 0.00 0.00 175.29 176.73 1psy s THR 122 N 2.01 4.79 -0.34 -0.19 -4.23 -1.18 -4.02 115.64 112.48 1psy s THR 122 Ca -0.03 2.05 0.16 0.00 -1.18 0.00 0.00 61.69 62.69 1psy s THR 122 Cb -0.11 -4.31 0.43 0.00 1.34 0.00 0.00 72.50 69.85 1psy s THR 122 CO -0.09 0.19 0.94 -1.14 -0.54 0.00 0.00 174.62 173.98 1psy n ARG 123 N 3.71 1.11 -1.55 3.99 0.63 -1.26 -5.05 116.66 118.24 1psy n ARG 123 Ca 0.05 -3.15 -0.13 0.00 -0.92 0.00 0.00 57.85 53.71 1psy n ARG 123 Cb 0.51 -1.23 -0.11 0.00 0.45 0.00 0.00 32.46 32.07 1psy n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1psy n THR 124 N -0.03 0.00 -1.73 5.15 -2.24 -1.26 -4.75 114.28 109.42 1psy n THR 124 Ca 0.11 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1psy n THR 124 Cb 0.79 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1psy n THR 124 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09