#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 0.37 0.68 0.00 4.04 -1.26 -5.16 118.70 117.37 1psy s GLU 2 Ca 0.00 0.68 -0.13 0.00 0.04 0.00 0.00 54.97 55.56 1psy s GLU 2 Cb 0.00 0.38 0.01 0.00 0.02 0.00 0.00 34.13 34.54 1psy s GLU 2 CO 0.00 -0.38 1.08 -0.59 -1.84 0.00 0.00 175.26 173.54 1psy s PHE 3 N 2.88 2.79 -0.40 4.83 -0.71 -1.26 -4.92 117.98 121.19 1psy s PHE 3 Ca 0.08 1.52 -0.30 0.00 -1.04 0.00 0.00 56.93 57.19 1psy s PHE 3 Cb -0.12 -3.05 -0.09 0.00 -1.21 0.00 0.00 43.02 38.55 1psy s PHE 3 CO -0.16 -1.49 2.31 -0.12 -1.34 0.00 0.00 175.22 174.42 1psy n MET 4 N -2.73 1.26 -3.95 1.99 1.56 -1.26 -4.88 117.12 109.11 1psy n MET 4 Ca 0.09 0.25 -0.09 0.00 -0.27 0.00 0.00 57.70 57.69 1psy n MET 4 Cb 0.53 -2.93 -0.05 0.00 2.15 0.00 0.00 33.22 32.92 1psy n MET 4 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1psy s GLU 5 N 7.12 1.50 0.00 2.12 -1.05 -1.26 -5.06 118.70 122.07 1psy s GLU 5 Ca 1.06 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 1psy s GLU 5 Cb -0.52 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 33.65 1psy s GLU 5 CO 0.38 -0.63 0.00 0.43 0.95 0.00 0.00 175.26 176.39 1psy n SER 6 N -0.37 0.00 -4.86 0.83 7.64 -1.26 -5.17 113.62 110.43 1psy n SER 6 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.55 1psy n SER 6 Cb 0.62 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.88 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 2.50 0.00 1.43 -0.14 -1.26 -5.03 119.74 117.25 1psy s LYS 7 Ca 0.00 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 55.10 1psy s LYS 7 Cb 0.00 -1.98 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 1psy s LYS 7 CO 0.00 -1.29 0.00 0.41 -0.76 0.00 0.00 175.35 173.71 1psy n GLY 8 N -2.71 0.75 3.38 -3.33 0.00 -1.26 -5.18 105.19 96.84 1psy n GLY 8 Ca 0.07 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 1.70 1.16 0.17 1.61 2.12 -1.26 -5.18 118.70 119.02 1psy s GLU 9 Ca 0.00 -0.49 -0.21 0.00 0.36 0.00 0.00 54.97 54.63 1psy s GLU 9 Cb 0.00 0.53 0.05 0.00 0.26 0.00 0.00 34.13 34.97 1psy s GLU 9 CO 0.00 -0.48 0.57 0.50 -0.54 0.00 0.00 175.26 175.31 1psy s ARG 10 N -3.48 1.32 0.00 4.30 3.52 -1.26 -5.18 118.95 118.17 1psy s ARG 10 Ca 0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1psy s ARG 10 Cb 0.00 0.56 0.00 0.00 -1.56 0.00 0.00 34.95 33.95 1psy s ARG 10 CO -0.10 -0.57 0.00 0.39 -0.81 0.00 0.00 175.30 174.21 1psy n GLU 11 N -0.36 0.90 -0.97 5.12 1.02 -1.26 -5.04 120.64 120.06 1psy n GLU 11 Ca -0.14 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.63 1psy n GLU 11 Cb 0.64 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.11 1psy n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1psy n GLY 12 N 5.00 -3.86 0.00 0.62 0.00 -1.26 -5.05 105.19 100.65 1psy n GLY 12 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 2.83 0.00 -1.09 1.61 7.64 -1.26 -5.18 113.62 118.17 1psy n SER 13 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.87 1psy n SER 13 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 -0.07 -4.77 6.43 3.41 -1.26 -5.08 113.62 112.28 1psy n SER 14 Ca 0.00 -1.04 -0.33 0.00 -0.26 0.00 0.00 58.87 57.24 1psy n SER 14 Cb 0.00 0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1psy n SER 14 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1psy s SER 15 N -1.10 5.28 0.45 4.04 0.01 -1.26 -4.87 113.70 116.25 1psy s SER 15 Ca 0.01 2.02 0.30 0.00 1.31 0.00 0.00 55.95 59.59 1psy s SER 15 Cb -0.00 -2.56 1.62 0.00 0.21 0.00 0.00 66.02 65.30 1psy s SER 15 CO 0.00 -1.52 1.93 -0.61 0.41 0.00 0.00 173.24 173.45 1psy h GLN 16 N 0.29 0.00 -0.25 12.44 4.15 -2.05 -3.36 115.11 126.33 1psy h GLN 16 Ca -0.47 0.00 0.04 0.00 0.77 0.00 0.00 58.65 58.99 1psy h GLN 16 Cb 1.25 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.78 1psy h GLN 16 CO 0.55 0.00 -0.14 -1.14 -1.93 0.00 0.00 178.83 176.17 1psy s GLN 17 N -3.76 0.25 0.00 1.69 0.74 -1.26 -5.03 119.66 112.29 1psy s GLN 17 Ca -0.03 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.18 1psy s GLN 17 Cb 0.09 -0.00 0.00 0.00 1.10 0.00 0.00 33.01 34.20 1psy s GLN 17 CO 0.29 -0.32 0.00 0.00 -0.55 0.00 0.00 175.29 174.71 1psy h ARG 19 N 0.00 0.06 0.00 0.00 2.43 -1.95 0.29 114.38 115.21 1psy h ARG 19 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1psy h ARG 19 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1psy h ARG 19 CO 0.00 0.04 0.00 0.94 -1.51 0.00 0.00 179.97 179.44 1psy n GLN 20 N -4.63 0.00 0.24 0.20 0.00 -1.26 -0.64 117.38 111.29 1psy n GLN 20 Ca 0.38 0.31 0.09 0.00 -0.00 0.00 0.00 57.00 57.78 1psy n GLN 20 Cb 1.50 -1.18 0.61 0.00 0.00 0.00 0.00 30.24 31.17 1psy n GLN 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1psy h GLU 21 N 0.00 0.00 0.57 3.69 4.11 -1.46 -3.09 114.58 118.40 1psy h GLU 21 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1psy h GLU 21 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1psy h GLU 21 CO 0.00 0.17 -0.27 0.28 0.07 0.00 0.00 179.01 179.26 1psy h VAL 22 N 0.00 0.36 0.00 -1.06 2.07 -0.53 -3.13 116.25 113.96 1psy h VAL 22 Ca -0.00 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1psy h VAL 22 Cb 0.38 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1psy h VAL 22 CO 0.02 0.04 0.07 0.00 0.02 0.00 0.00 177.57 177.72 1psy n GLN 23 N -5.35 0.80 0.05 1.57 -0.00 0.19 -0.93 117.38 113.71 1psy n GLN 23 Ca -0.12 -0.34 0.00 0.00 -0.00 0.00 0.00 57.00 56.54 1psy n GLN 23 Cb 0.34 -1.61 0.00 0.00 -0.00 0.00 0.00 30.24 28.96 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 2.52 0.00 -0.04 2.61 1.74 -1.19 -4.94 116.66 117.36 1psy n ARG 24 Ca 0.15 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.19 1psy n ARG 24 Cb 0.37 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.74 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 -2.72 2.30 0.00 5.56 0.00 -1.06 -4.85 118.16 117.39 1psy n LYS 25 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1psy n LYS 25 Cb 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 33.79 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 -2.30 -0.48 -4.17 -5.58 5.75 -0.11 -3.54 116.55 106.13 1psy n ASP 26 Ca -0.14 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.41 1psy n ASP 26 Cb 0.75 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.73 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 0.98 -2.38 -2.12 7.99 -1.26 -4.48 117.00 115.73 1psy n LEU 27 Ca 0.00 -2.04 -0.14 0.00 -0.01 0.00 0.00 56.01 53.81 1psy n LEU 27 Cb 0.00 -1.21 0.03 0.00 -0.11 0.00 0.00 43.42 42.13 1psy n LEU 27 CO 0.00 -2.95 0.10 -1.54 -1.51 0.00 0.00 177.39 171.49 1psy n SER 28 N 15.12 3.50 0.00 -1.43 3.41 -1.26 -4.54 113.62 128.42 1psy n SER 28 Ca 0.40 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 1psy n SER 28 Cb 0.45 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1psy n SER 28 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1psy n SER 29 N -0.64 0.00 -0.14 4.04 2.88 -1.26 -4.87 113.62 113.63 1psy n SER 29 Ca 0.28 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.75 1psy n SER 29 Cb 0.89 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 0.57 0.07 -0.14 0.00 3.07 -1.91 -2.80 114.58 113.45 1psy h GLU 31 Ca 0.16 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1psy h GLU 31 Cb -0.06 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1psy h GLU 31 CO -0.04 0.86 -0.27 -0.09 -1.40 0.00 0.00 179.01 178.08 1psy h ARG 32 N 0.04 0.25 -0.64 2.33 9.65 -1.70 -2.33 114.38 121.98 1psy h ARG 32 Ca -0.02 -0.09 0.07 0.00 -1.10 0.00 0.00 59.98 58.84 1psy h ARG 32 Cb 1.46 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.96 1psy h ARG 32 CO 0.12 0.51 0.32 -0.92 2.80 0.00 0.00 179.97 182.79 1psy h TYR 33 N 0.23 0.57 0.00 2.20 3.20 0.11 0.42 116.97 123.70 1psy h TYR 33 Ca 0.04 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 1psy h TYR 33 Cb 0.60 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1psy h TYR 33 CO 0.01 0.24 -0.73 1.37 -1.64 0.00 0.00 178.16 177.41 1psy h LEU 34 N 0.57 0.00 -0.06 2.82 8.10 -1.59 -3.22 115.31 121.94 1psy h LEU 34 Ca 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.28 1psy h LEU 34 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1psy h LEU 34 CO -0.23 0.73 -0.01 -0.09 -4.11 0.00 0.00 178.44 174.73 1psy h ARG 35 N 0.00 0.11 0.00 0.17 1.12 -0.57 -3.45 114.38 111.76 1psy h ARG 35 Ca -0.01 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.75 1psy h ARG 35 Cb 1.35 -0.01 0.03 0.00 -0.01 0.00 0.00 29.97 31.33 1psy h ARG 35 CO 0.09 0.44 0.07 0.94 -3.11 0.00 0.00 179.97 178.40 1psy n GLN 36 N -4.83 -0.24 -0.04 0.20 7.27 0.13 -5.07 117.38 114.80 1psy n GLN 36 Ca -0.07 -0.33 -0.02 0.00 0.07 0.00 0.00 57.00 56.65 1psy n GLN 36 Cb 0.22 -0.22 -0.01 0.00 2.41 0.00 0.00 30.24 32.63 1psy n GLN 36 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1psy h SER 37 N -0.31 0.00 -1.37 1.69 0.02 -1.87 -3.47 113.55 108.24 1psy h SER 37 Ca -0.07 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 1psy h SER 37 Cb 0.19 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.51 1psy h SER 37 CO 0.05 0.43 -0.59 -0.55 -1.14 0.00 0.00 176.83 175.03 1psy s SER 38 N -4.84 -0.59 0.85 3.07 0.15 -1.26 -4.97 113.70 106.11 1psy s SER 38 Ca -0.07 -1.72 -0.17 0.00 0.70 0.00 0.00 55.95 54.69 1psy s SER 38 Cb 0.01 1.32 -0.15 0.00 -1.71 0.00 0.00 66.02 65.50 1psy s SER 38 CO 0.10 -0.13 -0.61 -0.24 1.20 0.00 0.00 173.24 173.56 1psy n SER 39 N 3.46 -5.34 -3.56 5.45 2.88 -1.26 -5.02 113.62 110.22 1psy n SER 39 Ca 0.17 0.31 -0.01 0.00 -1.33 0.00 0.00 58.87 58.01 1psy n SER 39 Cb 0.53 -0.78 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 1psy n SER 39 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1psy s ARG 40 N -1.71 0.40 0.11 -1.46 3.52 -1.26 -4.79 118.95 113.76 1psy s ARG 40 Ca 0.44 0.82 -0.35 0.00 -0.13 0.00 0.00 55.73 56.51 1psy s ARG 40 Cb -0.27 0.29 -0.18 0.00 -1.56 0.00 0.00 34.95 33.24 1psy s ARG 40 CO 0.78 -0.11 1.03 -2.13 -0.81 0.00 0.00 175.30 174.06 1psy n ARG 41 N 4.38 0.54 0.00 5.12 3.00 -1.26 -4.96 116.66 123.48 1psy n ARG 41 Ca -0.15 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1psy n ARG 41 Cb 0.55 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 31.40 1psy n ARG 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1psy n SER 42 N 1.88 0.00 -4.77 6.15 3.41 -1.26 -4.96 113.62 114.07 1psy n SER 42 Ca 0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.39 1psy n SER 42 Cb 0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1psy n SER 42 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1psy s THR 43 N 0.00 2.40 0.00 6.66 -1.32 -1.26 -4.92 115.64 117.19 1psy s THR 43 Ca 0.00 0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 1psy s THR 43 Cb 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 72.50 67.76 1psy s THR 43 CO 0.00 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1psy n GLY 44 N 0.63 3.59 0.00 6.08 0.00 -1.26 -4.96 105.19 109.27 1psy n GLY 44 Ca 0.02 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 0.68 -0.34 1.61 1.02 -1.26 -4.42 120.64 117.92 1psy n GLU 45 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1psy n GLU 45 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 1psy n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1psy n GLU 46 N -0.97 0.85 -2.74 3.49 -0.00 -1.26 -4.19 120.64 115.81 1psy n GLU 46 Ca 0.15 -0.66 -0.09 0.00 -0.00 0.00 0.00 57.16 56.56 1psy n GLU 46 Cb 0.07 -1.95 0.05 0.00 -0.00 0.00 0.00 31.44 29.61 1psy n GLU 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1psy n VAL 47 N 3.75 0.47 -2.71 3.84 0.31 -1.26 -4.91 118.33 117.81 1psy n VAL 47 Ca 0.18 -2.64 -0.09 0.00 -0.01 0.00 0.00 64.34 61.77 1psy n VAL 47 Cb 0.17 0.72 0.04 0.00 -0.91 0.00 0.00 33.84 33.86 1psy n VAL 47 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1psy n LEU 48 N -0.15 0.72 -3.77 7.52 4.77 -1.26 -5.11 117.00 119.72 1psy n LEU 48 Ca 0.07 -3.78 -0.49 0.00 -0.03 0.00 0.00 56.01 51.78 1psy n LEU 48 Cb 0.80 0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 42.22 1psy n LEU 48 CO 0.14 1.69 0.45 -1.14 -1.33 0.00 0.00 177.39 177.20 1psy n ARG 49 N -0.12 0.00 -0.08 3.23 3.00 -1.26 -4.85 116.66 116.58 1psy n ARG 49 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.86 1psy n ARG 49 Cb 0.81 -1.24 -0.01 0.00 0.00 0.00 0.00 32.46 32.02 1psy n ARG 49 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1psy h MET 50 N 2.42 -0.23 -0.07 -0.14 2.86 -2.03 -2.93 114.93 114.81 1psy h MET 50 Ca -0.42 0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.08 1psy h MET 50 Cb 1.20 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.92 1psy h MET 50 CO 0.54 -0.16 -0.59 -1.00 1.06 0.00 0.00 176.91 176.77 1psy h PRO 51 N -0.24 0.51 -5.87 -0.22 0.13 -2.05 -3.49 132.00 120.77 1psy h PRO 51 Ca 0.16 -0.46 -0.26 0.00 -0.87 0.00 0.00 66.00 64.57 1psy h PRO 51 Cb 0.50 0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.75 1psy h PRO 51 CO -0.46 1.10 -1.01 0.41 -0.23 0.00 0.00 178.00 177.80 1psy n GLY 52 N 0.85 0.13 1.64 1.56 0.00 -1.11 -4.86 105.19 103.39 1psy n GLY 52 Ca -0.09 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1psy n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1psy n ASP 53 N 0.32 -3.16 -2.73 1.61 2.03 -1.26 -4.99 116.55 108.38 1psy n ASP 53 Ca -0.06 0.81 -0.17 0.00 0.52 0.00 0.00 54.79 55.88 1psy n ASP 53 Cb 0.55 3.06 -0.06 0.00 -0.72 0.00 0.00 41.12 43.95 1psy n ASP 53 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1psy n GLU 54 N -3.32 1.90 -3.46 -0.67 0.00 -1.26 -4.61 120.64 109.22 1psy n GLU 54 Ca 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 57.16 56.01 1psy n GLU 54 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 31.44 29.21 1psy n GLU 54 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1psy s ASN 55 N 2.78 -1.15 -0.74 -1.84 -0.87 -1.26 -5.00 114.94 106.86 1psy s ASN 55 Ca 0.45 1.25 -0.36 0.00 -1.57 0.00 0.00 52.86 52.63 1psy s ASN 55 Cb 0.16 2.17 -0.19 0.00 -0.02 0.00 0.00 41.25 43.37 1psy s ASN 55 CO -0.02 -0.22 2.45 1.67 -2.57 0.00 0.00 177.10 178.41 1psy n GLN 56 N 5.40 0.15 -3.62 -0.60 0.00 -1.26 -4.87 117.38 112.58 1psy n GLN 56 Ca -0.08 0.02 -0.29 0.00 -0.00 0.00 0.00 57.00 56.65 1psy n GLN 56 Cb 0.50 -1.70 -0.13 0.00 0.00 0.00 0.00 30.24 28.91 1psy n GLN 56 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1psy s GLN 57 N 7.68 0.89 0.00 3.69 -1.52 -1.26 -3.41 119.66 125.73 1psy s GLN 57 Ca 1.26 -1.56 0.00 0.00 -1.95 0.00 0.00 55.36 53.11 1psy s GLN 57 Cb -1.25 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 1psy s GLN 57 CO 0.54 -1.15 0.00 0.94 -0.25 0.00 0.00 175.29 175.37 1psy n GLN 58 N 3.99 0.00 -0.14 2.91 7.27 -1.26 -4.95 117.38 125.20 1psy n GLN 58 Ca 0.08 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.23 1psy n GLN 58 Cb 0.37 0.00 0.13 0.00 2.41 0.00 0.00 30.24 33.14 1psy n GLN 58 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1psy n GLU 59 N 0.00 1.15 -2.50 3.69 1.02 -1.26 -4.65 120.64 118.09 1psy n GLU 59 Ca 0.00 -2.43 -0.03 0.00 -0.02 0.00 0.00 57.16 54.67 1psy n GLU 59 Cb 0.00 -1.39 0.09 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.26 -1.33 0.32 1.62 2.88 -1.26 -4.96 113.62 109.63 1psy n SER 60 Ca 0.14 -2.04 0.16 0.00 -1.33 0.00 0.00 58.87 55.80 1psy n SER 60 Cb 0.65 0.70 0.83 0.00 -0.75 0.00 0.00 64.21 65.64 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 1.12 0.00 -0.12 -1.46 3.07 -1.82 0.22 115.11 116.12 1psy h GLN 61 Ca -0.35 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.22 1psy h GLN 61 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.80 1psy h GLN 61 CO -0.13 0.00 -0.63 1.96 0.09 0.00 0.00 178.83 180.12 1psy h GLN 62 N 0.00 0.44 -0.33 0.06 1.08 -1.87 -2.94 115.11 111.56 1psy h GLN 62 Ca 0.00 -0.31 0.09 0.00 -1.45 0.00 0.00 58.65 56.98 1psy h GLN 62 Cb 0.56 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1psy h GLN 62 CO 0.00 0.92 0.23 -0.07 -0.95 0.00 0.00 178.83 178.97 1psy h LEU 63 N 0.32 0.02 -1.95 1.46 4.07 -0.82 1.00 115.31 119.41 1psy h LEU 63 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1psy h LEU 63 Cb 1.17 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1psy h LEU 63 CO 0.11 0.02 -0.08 -0.61 -1.08 0.00 0.00 178.44 176.79 1psy h GLN 64 N 0.03 0.00 -0.06 1.13 4.15 -1.56 -0.61 115.11 118.19 1psy h GLN 64 Ca 0.15 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.43 1psy h GLN 64 Cb 0.58 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1psy h GLN 64 CO -0.01 0.08 -0.62 1.96 -1.93 0.00 0.00 178.83 178.32 1psy h GLN 65 N 0.00 0.20 -0.00 1.69 4.20 -0.89 -0.28 115.11 120.03 1psy h GLN 65 Ca -0.00 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 1psy h GLN 65 Cb 0.16 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1psy h GLN 65 CO 0.01 0.75 -0.42 0.00 -0.67 0.00 0.00 178.83 178.50 1psy h ASN 68 N -0.23 0.32 -0.04 0.00 2.35 -1.11 0.29 115.58 117.16 1psy h ASN 68 Ca -0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1psy h ASN 68 Cb 0.20 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1psy h ASN 68 CO -0.01 0.22 -0.04 1.56 -1.65 0.00 0.00 177.43 177.50 1psy h GLN 69 N 0.36 0.10 0.00 0.81 1.08 0.70 -2.66 115.11 115.50 1psy h GLN 69 Ca 0.16 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1psy h GLN 69 Cb 0.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1psy h GLN 69 CO -0.04 0.56 -0.17 0.28 -0.95 0.00 0.00 178.83 178.51 1psy h VAL 70 N -0.37 0.43 0.00 -0.54 2.07 0.13 0.32 116.25 118.30 1psy h VAL 70 Ca 0.01 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1psy h VAL 70 Cb 0.55 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1psy h VAL 70 CO 0.01 0.17 0.00 0.50 0.02 0.00 0.00 177.57 178.27 1psy h LYS 71 N 0.00 0.00 0.00 1.57 1.63 -0.36 -2.65 116.57 116.76 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 0.70 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1psy h LYS 71 CO 0.02 0.00 -0.68 1.04 -3.45 0.00 0.00 179.45 176.38 1psy n GLN 72 N -2.69 0.14 -1.01 1.90 1.13 0.11 -4.95 117.38 112.02 1psy n GLN 72 Ca 0.03 0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.82 1psy n GLN 72 Cb 0.38 -1.57 0.21 0.00 0.11 0.00 0.00 30.24 29.37 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1psy s VAL 73 N -3.09 1.92 0.00 5.09 0.11 -1.00 -4.81 120.40 118.61 1psy s VAL 73 Ca 0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1psy s VAL 73 Cb 0.16 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1psy s VAL 73 CO 0.74 0.00 0.29 0.54 -3.33 0.00 0.00 175.10 173.33 1psy n ARG 74 N -4.49 0.00 0.00 1.54 5.12 -1.26 -5.01 116.66 112.56 1psy n ARG 74 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1psy n ARG 74 Cb 0.57 -0.76 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 1psy n ARG 74 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1psy n ASP 75 N -0.41 0.00 -0.22 0.55 -0.08 -1.26 -4.95 116.55 110.18 1psy n ASP 75 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1psy n ASP 75 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1psy n ASP 75 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1psy n GLU 76 N 0.00 1.69 0.00 -0.67 1.02 -1.26 -3.76 120.64 117.66 1psy n GLU 76 Ca 0.00 -0.65 0.03 0.00 -0.02 0.00 0.00 57.16 56.52 1psy n GLU 76 Cb 0.00 -1.05 0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1psy h GLN 78 N 1.21 1.26 0.16 0.00 3.07 -1.89 0.21 115.11 119.14 1psy h GLN 78 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 1psy h GLN 78 Cb 0.27 -0.26 0.00 0.00 0.08 0.00 0.00 27.48 27.57 1psy h GLN 78 CO 0.00 0.89 -0.08 0.00 0.09 0.00 0.00 178.83 179.73 1psy h GLU 80 N -1.03 0.00 -0.45 0.00 4.81 -1.81 0.16 114.58 116.27 1psy h GLU 80 Ca -0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1psy h GLU 80 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1psy h GLU 80 CO 0.04 0.00 -0.20 0.00 -0.73 0.00 0.00 179.01 178.12 1psy h ALA 81 N 1.42 0.63 -0.54 2.92 0.00 -0.52 -2.70 119.26 120.46 1psy h ALA 81 Ca 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1psy h ALA 81 Cb 0.66 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1psy h ALA 81 CO -0.00 0.59 0.36 0.82 0.00 0.00 0.00 179.25 181.02 1psy h ILE 82 N 0.76 1.09 0.00 0.00 1.08 -0.58 0.02 117.51 119.88 1psy h ILE 82 Ca 0.10 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1psy h ILE 82 Cb 0.76 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1psy h ILE 82 CO 0.06 0.12 0.00 0.29 -0.69 0.00 0.00 178.15 177.93 1psy n LYS 83 N -4.46 0.01 -0.06 2.37 4.01 -1.03 -0.70 118.16 118.30 1psy n LYS 83 Ca 0.06 0.23 -0.05 0.00 -0.51 0.00 0.00 58.31 58.04 1psy n LYS 83 Cb 0.11 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.11 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 -1.49 0.38 0.00 2.13 9.36 -0.13 -4.47 117.16 122.93 1psy n TYR 84 Ca 0.04 0.16 -0.13 0.00 3.32 0.00 0.00 57.90 61.29 1psy n TYR 84 Cb 0.18 -0.52 -0.10 0.00 -0.63 0.00 0.00 39.34 38.28 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 -0.75 1.31 0.00 2.97 6.09 -1.16 0.31 117.51 126.28 1psy h ILE 85 Ca 0.00 -1.10 -0.17 0.00 -1.37 0.00 0.00 64.86 62.22 1psy h ILE 85 Cb 0.55 2.04 -0.06 0.00 0.47 0.00 0.00 36.82 39.83 1psy h ILE 85 CO 0.00 0.28 -0.19 0.00 -3.07 0.00 0.00 178.15 175.17 1psy n ALA 86 N -2.36 5.66 0.00 0.18 0.00 0.13 -2.69 120.51 121.43 1psy n ALA 86 Ca -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1psy n ALA 86 Cb 0.25 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.37 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 2.59 0.00 -0.11 0.00 2.13 -1.19 -4.76 120.64 119.31 1psy n GLU 87 Ca 0.38 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.08 1psy n GLU 87 Cb 0.78 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.46 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 0.70 0.75 4.31 3.58 -0.27 -1.20 116.42 124.29 1psy h ASP 88 Ca 0.00 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.02 1psy h ASP 88 Cb 0.00 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 1psy h ASP 88 CO 0.00 0.95 -0.10 0.06 -2.88 0.00 0.00 179.24 177.28 1psy h GLN 89 N 0.44 0.00 -0.28 0.28 3.07 -1.71 -0.25 115.11 116.67 1psy h GLN 89 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.77 1psy h GLN 89 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.24 1psy h GLN 89 CO 0.05 0.10 0.01 0.82 0.09 0.00 0.00 178.83 179.90 1psy h ILE 90 N 0.00 1.25 0.00 1.86 1.08 -1.46 0.47 117.51 120.71 1psy h ILE 90 Ca -0.00 -0.88 -0.18 0.00 -0.39 0.00 0.00 64.86 63.41 1psy h ILE 90 Cb 0.50 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.51 1psy h ILE 90 CO 0.01 0.28 -0.84 1.56 -0.69 0.00 0.00 178.15 178.47 1psy h GLN 91 N 0.28 0.00 0.15 2.37 4.20 -1.26 -3.17 115.11 117.68 1psy h GLN 91 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1psy h GLN 91 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1psy h GLN 91 CO 0.01 0.84 -0.07 0.37 -0.67 0.00 0.00 178.83 179.31 1psy h GLN 92 N 0.00 -0.20 0.00 1.46 -0.00 -0.91 -3.46 115.11 112.00 1psy h GLN 92 Ca -0.01 0.01 -0.20 0.00 -0.00 0.00 0.00 58.65 58.46 1psy h GLN 92 Cb 1.58 0.05 0.10 0.00 0.00 0.00 0.00 27.48 29.20 1psy h GLN 92 CO 0.11 0.19 0.04 0.41 0.00 0.00 0.00 178.83 179.58 1psy n GLY 93 N 0.88 -2.76 1.71 2.39 0.00 0.16 -4.89 105.19 102.67 1psy n GLY 93 Ca -0.07 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.26 1.47 -0.37 1.61 6.02 -1.26 -4.30 117.38 117.30 1psy n GLN 94 Ca 0.07 -0.94 0.04 0.00 -0.01 0.00 0.00 57.00 56.17 1psy n GLN 94 Cb 0.29 -1.37 0.19 0.00 1.02 0.00 0.00 30.24 30.37 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 0.75 2.93 -4.91 1.08 7.99 -1.20 -4.90 117.00 118.74 1psy n LEU 95 Ca 0.18 -1.48 -0.30 0.00 -0.01 0.00 0.00 56.01 54.40 1psy n LEU 95 Cb 0.57 -0.50 0.16 0.00 -0.11 0.00 0.00 43.42 43.54 1psy n LEU 95 CO 0.23 0.44 0.84 -1.00 -1.51 0.00 0.00 177.39 176.39 1psy s HIS 96 N -1.77 1.97 0.00 -1.77 3.76 -1.26 -2.88 115.29 113.35 1psy s HIS 96 Ca 0.26 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.63 1psy s HIS 96 Cb 0.18 -3.90 0.00 0.00 1.11 0.00 0.00 32.58 29.97 1psy s HIS 96 CO 0.10 -2.43 0.00 0.41 -0.85 0.00 0.00 174.74 171.96 1psy n GLY 97 N -3.50 2.21 1.00 -2.22 0.00 -1.26 -3.61 105.19 97.81 1psy n GLY 97 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.13 -0.43 1.61 2.13 -1.26 -4.97 120.64 117.85 1psy n GLU 98 Ca 0.00 -0.39 0.07 0.00 0.66 0.00 0.00 57.16 57.51 1psy n GLU 98 Cb 0.00 0.41 0.16 0.00 0.27 0.00 0.00 31.44 32.29 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 -0.14 1.31 0.04 5.31 0.28 -1.24 -4.65 120.64 121.56 1psy n GLU 99 Ca -0.09 -2.85 -0.14 0.00 -0.16 0.00 0.00 57.16 53.92 1psy n GLU 99 Cb 0.47 -1.44 -0.14 0.00 1.43 0.00 0.00 31.44 31.76 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 0.55 0.25 0.60 -1.84 0.87 -1.80 -3.33 113.55 108.85 1psy h SER 100 Ca -0.01 -0.36 -0.08 0.00 -1.23 0.00 0.00 61.79 60.11 1psy h SER 100 Cb 1.06 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1psy h SER 100 CO 0.01 1.30 -0.38 1.05 -0.53 0.00 0.00 176.83 178.27 1psy h GLU 101 N 0.04 0.00 0.00 2.24 -0.00 -1.89 -2.11 114.58 112.86 1psy h GLU 101 Ca -0.22 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.09 1psy h GLU 101 Cb 1.98 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.72 1psy h GLU 101 CO 0.14 0.38 -0.23 0.07 -0.00 0.00 0.00 179.01 179.37 1psy h ARG 102 N 0.00 0.00 0.00 1.06 0.11 -1.87 -1.88 114.38 111.80 1psy h ARG 102 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 1psy h ARG 102 Cb 0.79 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.85 1psy h ARG 102 CO 0.05 0.23 -0.73 0.28 0.10 0.00 0.00 179.97 179.91 1psy h VAL 103 N 0.00 0.65 -0.37 0.08 2.07 -1.50 -3.23 116.25 113.96 1psy h VAL 103 Ca -0.00 -1.99 -0.10 0.00 0.82 0.00 0.00 66.70 65.43 1psy h VAL 103 Cb 0.79 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1psy h VAL 103 CO 0.03 0.37 -0.18 0.00 0.02 0.00 0.00 177.57 177.82 1psy h ALA 104 N 1.55 1.01 0.00 1.67 0.00 -1.09 -2.36 119.26 120.04 1psy h ALA 104 Ca -0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1psy h ALA 104 Cb 1.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1psy h ALA 104 CO 0.05 0.59 -0.44 -0.56 0.00 0.00 0.00 179.25 178.89 1psy h GLN 105 N 0.61 0.00 0.40 0.00 3.07 -1.60 -3.09 115.11 114.49 1psy h GLN 105 Ca 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.82 1psy h GLN 105 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1psy h GLN 105 CO 0.05 0.44 -0.19 0.00 0.09 0.00 0.00 178.83 179.22 1psy h ARG 106 N 0.00 -0.51 -0.68 0.06 2.47 -1.45 -2.73 114.38 111.54 1psy h ARG 106 Ca -0.00 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.83 1psy h ARG 106 Cb 0.92 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.31 1psy h ARG 106 CO 0.06 -0.22 0.45 0.00 0.56 0.00 0.00 179.97 180.81 1psy h ALA 107 N -0.30 1.84 -1.51 0.04 0.00 -1.53 0.59 119.26 118.39 1psy h ALA 107 Ca -0.05 -0.01 0.46 0.00 0.00 0.00 0.00 54.91 55.30 1psy h ALA 107 Cb 0.53 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1psy h ALA 107 CO 0.09 0.02 1.04 0.78 0.00 0.00 0.00 179.25 181.19 1psy h GLY 108 N 0.60 0.65 0.61 0.00 0.00 -1.40 0.23 103.07 103.76 1psy h GLY 108 Ca 0.31 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1psy h GLY 108 CO -0.10 -0.19 -0.22 0.83 0.00 0.00 0.00 176.54 176.86 1psy h GLU 109 N 0.05 -0.40 0.00 4.80 5.08 -0.89 -0.07 114.58 123.16 1psy h GLU 109 Ca 0.81 0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 59.08 1psy h GLU 109 Cb 2.90 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 32.22 1psy h GLU 109 CO -0.21 -0.26 -0.56 0.82 -1.00 0.00 0.00 179.01 177.80 1psy h ILE 110 N -0.41 1.08 0.79 3.13 1.08 -0.80 -2.71 117.51 119.67 1psy h ILE 110 Ca 0.03 -2.18 -0.04 0.00 -0.39 0.00 0.00 64.86 62.28 1psy h ILE 110 Cb 0.44 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.48 1psy h ILE 110 CO -0.13 0.55 -0.45 0.58 -0.69 0.00 0.00 178.15 178.01 1psy h VAL 111 N 0.00 0.00 -0.36 1.67 2.07 -0.54 0.93 116.25 120.02 1psy h VAL 111 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1psy h VAL 111 Cb 1.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1psy h VAL 111 CO 0.07 0.00 0.26 0.77 0.02 0.00 0.00 177.57 178.70 1psy h SER 112 N -1.14 0.00 0.00 0.57 4.64 -0.99 0.35 113.55 116.97 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 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1psy h SER 112 CO 0.13 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.85 1psy n SER 113 N -4.39 0.00 -2.35 4.97 2.88 -0.79 -4.73 113.62 109.21 1psy n SER 113 Ca 0.06 0.86 -0.02 0.00 -1.33 0.00 0.00 58.87 58.43 1psy n SER 113 Cb 0.44 -0.47 0.08 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.02 1.94 2.78 0.00 0.00 1.00 -4.24 105.19 105.65 1psy n GLY 115 Ca -0.14 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.05 2.17 0.00 1.61 0.31 0.07 -4.27 118.33 118.16 1psy n VAL 116 Ca 0.10 -1.47 0.00 0.00 -0.01 0.00 0.00 64.34 62.96 1psy n VAL 116 Cb 0.99 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 5.16 0.00 0.00 5.55 3.00 -1.26 -4.18 116.66 124.93 1psy n ARG 117 Ca 0.45 0.00 0.08 0.00 -0.01 0.00 0.00 57.85 58.37 1psy n ARG 117 Cb 0.22 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.70 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 0.30 2.25 0.00 0.00 2.00 -1.26 -4.60 117.12 115.81 1psy n MET 119 Ca 0.08 -1.90 0.00 0.00 0.00 0.00 0.00 57.70 55.88 1psy n MET 119 Cb 0.37 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 32.17 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 1.04 0.00 -1.06 0.03 0.63 -1.26 -4.84 116.66 111.19 1psy n ARG 120 Ca 0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1psy n ARG 120 Cb 0.45 -0.03 0.00 0.00 0.45 0.00 0.00 32.46 33.33 1psy n ARG 120 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1psy n GLN 121 N -1.74 1.10 -0.36 -0.14 6.02 -1.15 -5.00 117.38 116.11 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1psy n GLN 121 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1psy n THR 122 N 0.00 0.00 0.00 5.09 -2.24 -1.21 -3.82 114.28 112.10 1psy n THR 122 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1psy n THR 122 Cb 0.00 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 1psy n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1psy n ARG 123 N -0.71 0.00 -1.83 -0.78 1.74 -1.26 -3.63 116.66 110.19 1psy n ARG 123 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1psy n ARG 123 Cb 0.00 -0.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.88 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 3.27 0.00 0.55 -1.32 -1.25 -4.62 115.64 112.28 1psy s THR 124 Ca 0.00 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1psy s THR 124 Cb 0.00 -4.08 0.00 0.00 -1.51 0.00 0.00 72.50 66.91 1psy s THR 124 CO 0.00 -0.52 0.00 0.59 -2.21 0.00 0.00 174.62 172.48