#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 4.51 0.16 0.00 -1.05 -1.26 -4.36 118.70 116.70 1psy s GLU 2 Ca 0.00 1.09 -0.34 0.00 -0.15 0.00 0.00 54.97 55.57 1psy s GLU 2 Cb 0.00 -3.28 -0.15 0.00 -0.44 0.00 0.00 34.13 30.26 1psy s GLU 2 CO 0.00 0.52 1.42 1.97 0.95 0.00 0.00 175.26 180.11 1psy n PHE 3 N 1.87 1.90 -3.99 4.83 1.16 -1.26 -4.99 117.46 116.99 1psy n PHE 3 Ca -0.06 0.47 -0.09 0.00 -1.87 0.00 0.00 57.45 55.90 1psy n PHE 3 Cb 0.49 -2.43 -0.08 0.00 -1.61 0.00 0.00 39.48 35.86 1psy n PHE 3 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1psy s MET 4 N 0.33 1.03 1.32 3.97 0.23 -1.26 -5.16 119.30 119.77 1psy s MET 4 Ca 0.77 -1.19 -0.18 0.00 -1.03 0.00 0.00 55.69 54.06 1psy s MET 4 Cb -0.77 0.34 0.34 0.00 -1.53 0.00 0.00 34.83 33.20 1psy s MET 4 CO 0.45 -0.35 0.97 -1.21 -2.03 0.00 0.00 175.02 172.84 1psy s GLU 5 N -3.96 -2.13 0.00 3.16 2.02 -1.26 -5.00 118.70 111.52 1psy s GLU 5 Ca 0.16 0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.62 1psy s GLU 5 Cb 0.05 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1psy s GLU 5 CO -0.02 -4.43 0.00 0.45 0.02 0.00 0.00 175.26 171.28 1psy n SER 6 N -5.37 0.00 -4.66 -0.19 2.88 -1.26 -5.05 113.62 99.97 1psy n SER 6 Ca 0.07 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.19 1psy n SER 6 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1psy n SER 6 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1psy s LYS 7 N -2.00 4.19 -0.47 -1.46 1.02 -1.26 -4.93 119.74 114.83 1psy s LYS 7 Ca 0.00 2.17 0.06 0.00 0.02 0.00 0.00 55.97 58.22 1psy s LYS 7 Cb 0.00 -3.94 0.18 0.00 -0.52 0.00 0.00 37.83 33.55 1psy s LYS 7 CO 0.00 -0.83 0.63 0.20 -0.92 0.00 0.00 175.35 174.43 1psy s GLY 8 N 3.19 -0.78 -0.10 -3.33 0.00 -1.26 -4.80 107.32 100.25 1psy s GLY 8 Ca 0.72 -0.68 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 1psy s GLY 8 CO 0.29 3.35 0.46 -2.21 0.00 0.00 0.00 173.10 174.99 1psy n GLU 9 N 3.27 0.72 -0.73 2.90 2.13 -1.26 -4.95 120.64 122.72 1psy n GLU 9 Ca 0.18 0.27 -0.32 0.00 0.66 0.00 0.00 57.16 57.95 1psy n GLU 9 Cb 0.54 -1.74 0.15 0.00 0.27 0.00 0.00 31.44 30.66 1psy n GLU 9 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1psy n ARG 10 N -3.35 -0.74 -3.49 5.31 1.74 -1.26 -5.02 116.66 109.85 1psy n ARG 10 Ca -0.27 -0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 56.43 1psy n ARG 10 Cb 1.05 -1.91 -0.02 0.00 -1.02 0.00 0.00 32.46 30.56 1psy n ARG 10 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1psy s GLU 11 N -3.77 2.56 0.50 5.56 2.12 -1.26 -4.99 118.70 119.42 1psy s GLU 11 Ca 0.59 -1.52 0.05 0.00 0.36 0.00 0.00 54.97 54.45 1psy s GLU 11 Cb -0.20 -2.42 0.03 0.00 0.26 0.00 0.00 34.13 31.80 1psy s GLU 11 CO 0.66 -0.24 0.70 0.20 -0.54 0.00 0.00 175.26 176.04 1psy s GLY 12 N -4.18 1.87 0.00 -1.50 0.00 -1.26 -4.97 107.32 97.28 1psy s GLY 12 Ca 0.49 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1psy s GLY 12 CO 0.29 -1.31 0.00 1.44 0.00 0.00 0.00 173.10 173.52 1psy n SER 13 N -2.14 0.00 -4.75 1.64 7.64 -1.26 -5.14 113.62 109.62 1psy n SER 13 Ca 0.09 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.56 1psy n SER 13 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 1psy n SER 13 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1psy s SER 14 N 0.00 6.66 1.26 6.43 1.04 -1.26 -4.96 113.70 122.87 1psy s SER 14 Ca 0.00 2.66 -0.19 0.00 0.48 0.00 0.00 55.95 58.90 1psy s SER 14 Cb 0.00 -2.62 0.29 0.00 0.10 0.00 0.00 66.02 63.79 1psy s SER 14 CO 0.00 -0.69 0.66 -0.24 0.98 0.00 0.00 173.24 173.95 1psy n SER 15 N 2.26 -3.70 -0.32 7.02 2.88 -1.26 -4.80 113.62 115.70 1psy n SER 15 Ca 0.06 -0.67 -0.03 0.00 -1.33 0.00 0.00 58.87 56.91 1psy n SER 15 Cb 0.40 -0.89 0.03 0.00 -0.75 0.00 0.00 64.21 63.01 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 -3.28 -0.06 -0.42 -1.46 4.15 -2.04 -3.25 115.11 108.75 1psy h GLN 16 Ca -0.30 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 58.84 1psy h GLN 16 Cb 1.02 0.01 -0.21 0.00 0.21 0.00 0.00 27.48 28.51 1psy h GLN 16 CO 0.18 -0.04 -0.61 1.04 -1.93 0.00 0.00 178.83 177.48 1psy n GLN 17 N -5.46 1.06 -0.07 1.69 6.02 -1.26 -4.98 117.38 114.38 1psy n GLN 17 Ca 0.08 -2.26 -0.11 0.00 -0.01 0.00 0.00 57.00 54.70 1psy n GLN 17 Cb 0.38 -0.94 -0.09 0.00 1.02 0.00 0.00 30.24 30.62 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1psy n ARG 19 N -4.63 -0.04 0.00 0.00 0.00 -1.26 0.16 116.66 110.88 1psy n ARG 19 Ca -0.10 1.02 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 1psy n ARG 19 Cb 0.37 -1.85 0.00 0.00 -0.00 0.00 0.00 32.46 30.98 1psy n ARG 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1psy n GLN 20 N -4.62 0.00 0.05 2.89 7.27 -1.24 0.19 117.38 121.92 1psy n GLN 20 Ca 0.29 0.64 -0.04 0.00 0.07 0.00 0.00 57.00 57.95 1psy n GLN 20 Cb 0.99 -1.49 0.18 0.00 2.41 0.00 0.00 30.24 32.33 1psy n GLN 20 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1psy h GLU 21 N 0.00 0.38 -0.03 3.69 4.11 -0.95 -2.98 114.58 118.80 1psy h GLU 21 Ca 0.00 -0.18 0.01 0.00 0.07 0.00 0.00 59.36 59.26 1psy h GLU 21 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1psy h GLU 21 CO 0.00 0.72 0.05 0.28 0.07 0.00 0.00 179.01 180.13 1psy h VAL 22 N 0.32 0.43 0.00 -1.06 2.07 -0.13 0.35 116.25 118.22 1psy h VAL 22 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1psy h VAL 22 Cb 0.84 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1psy h VAL 22 CO 0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1psy n GLN 23 N -3.70 0.22 -0.45 1.57 6.02 0.13 -2.99 117.38 118.18 1psy n GLN 23 Ca -0.02 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1psy n GLN 23 Cb 0.13 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1psy n GLN 23 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1psy n ARG 24 N -1.24 0.00 0.00 -1.09 1.85 0.68 -5.04 116.66 111.81 1psy n ARG 24 Ca 0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1psy n ARG 24 Cb 0.10 -0.06 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 1psy n ARG 24 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1psy n LYS 25 N 0.00 0.00 -0.84 2.89 4.81 0.89 -5.03 118.16 120.87 1psy n LYS 25 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1psy n LYS 25 Cb 0.52 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.67 1psy n LYS 25 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1psy n ASP 26 N -0.02 -3.23 0.00 3.14 9.92 -1.24 -3.86 116.55 121.26 1psy n ASP 26 Ca 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 1psy n ASP 26 Cb 0.00 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 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 0.26 0.00 -2.18 0.64 7.99 -1.26 -4.75 117.00 117.69 1psy n LEU 27 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1psy n LEU 27 Cb 0.58 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.93 1psy n LEU 27 CO 0.51 0.00 0.05 -0.24 -1.51 0.00 0.00 177.39 176.20 1psy n SER 28 N 0.00 1.61 0.00 -1.43 2.88 -1.25 -4.69 113.62 110.74 1psy n SER 28 Ca 0.00 -2.23 0.00 0.00 -1.33 0.00 0.00 58.87 55.31 1psy n SER 28 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.23 0.00 -0.03 -3.46 2.88 -1.26 -4.86 113.62 106.66 1psy n SER 29 Ca 0.10 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.55 1psy n SER 29 Cb 0.93 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.37 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 -0.11 0.08 -0.59 0.00 3.07 -1.91 -2.97 114.58 112.15 1psy h GLU 31 Ca 0.10 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1psy h GLU 31 Cb 0.26 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1psy h GLU 31 CO -0.25 0.99 0.28 -0.09 -1.40 0.00 0.00 179.01 178.55 1psy h ARG 32 N 0.03 0.84 -0.66 2.33 9.65 -1.67 -1.68 114.38 123.22 1psy h ARG 32 Ca -0.04 -0.11 0.08 0.00 -1.10 0.00 0.00 59.98 58.81 1psy h ARG 32 Cb 1.69 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 30.05 1psy h ARG 32 CO 0.14 0.65 0.33 -0.92 2.80 0.00 0.00 179.97 182.97 1psy h TYR 33 N 0.84 0.59 0.00 2.20 3.20 0.23 0.42 116.97 124.45 1psy h TYR 33 Ca 0.21 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.97 1psy h TYR 33 Cb 0.10 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1psy h TYR 33 CO 0.01 0.23 -0.65 1.37 -1.64 0.00 0.00 178.16 177.48 1psy h LEU 34 N 0.58 0.00 -0.22 2.82 8.10 -1.53 -3.12 115.31 121.93 1psy h LEU 34 Ca 0.32 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.27 1psy h LEU 34 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 1psy h LEU 34 CO -0.24 0.65 -0.01 -0.09 -4.11 0.00 0.00 178.44 174.64 1psy h ARG 35 N 0.00 0.40 0.00 0.17 1.12 0.06 -3.45 114.38 112.68 1psy h ARG 35 Ca -0.01 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 1psy h ARG 35 Cb 1.24 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.16 1psy h ARG 35 CO 0.08 0.60 0.00 0.94 -3.11 0.00 0.00 179.97 178.48 1psy n GLN 36 N -4.65 0.42 0.00 0.20 7.27 0.12 -5.08 117.38 115.67 1psy n GLN 36 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1psy n GLN 36 Cb 0.24 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.89 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 -1.59 0.00 -4.60 1.69 2.88 -1.26 -4.95 113.62 105.78 1psy n SER 37 Ca 0.00 0.00 -0.59 0.00 -1.33 0.00 0.00 58.87 56.95 1psy n SER 37 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1psy n SER 37 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1psy n SER 38 N 0.00 1.84 -3.15 -3.46 3.41 -1.26 -4.88 113.62 106.12 1psy n SER 38 Ca 0.00 0.93 0.06 0.00 -0.26 0.00 0.00 58.87 59.59 1psy n SER 38 Cb 0.00 -1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 62.88 1psy n SER 38 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1psy s SER 39 N 4.46 -0.29 1.12 4.04 1.04 -1.26 -5.17 113.70 117.63 1psy s SER 39 Ca 1.05 0.09 -0.06 0.00 0.48 0.00 0.00 55.95 57.51 1psy s SER 39 Cb -1.20 1.21 0.09 0.00 0.10 0.00 0.00 66.02 66.23 1psy s SER 39 CO 0.67 -0.05 0.22 -2.11 0.98 0.00 0.00 173.24 172.94 1psy n ARG 40 N 5.25 -2.60 -0.46 4.02 1.85 -1.26 -5.00 116.66 118.46 1psy n ARG 40 Ca 0.02 -0.37 -0.27 0.00 -1.00 0.00 0.00 57.85 56.24 1psy n ARG 40 Cb 0.56 -0.46 0.22 0.00 -1.05 0.00 0.00 32.46 31.73 1psy n ARG 40 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1psy n ARG 41 N -2.88 -2.96 0.00 2.89 0.00 -1.26 -5.04 116.66 107.40 1psy n ARG 41 Ca 0.03 -0.87 0.00 0.00 -0.00 0.00 0.00 57.85 57.02 1psy n ARG 41 Cb 0.15 -1.77 0.00 0.00 -0.00 0.00 0.00 32.46 30.84 1psy n ARG 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1psy n SER 42 N -3.32 0.00 -4.55 2.89 2.88 -1.26 -4.95 113.62 105.31 1psy n SER 42 Ca 0.06 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.20 1psy n SER 42 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1psy n SER 42 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1psy s THR 43 N 1.36 3.71 0.00 2.46 -4.23 -1.26 -4.77 115.64 112.91 1psy s THR 43 Ca 0.00 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1psy s THR 43 Cb 0.00 -4.85 0.00 0.00 1.34 0.00 0.00 72.50 68.99 1psy s THR 43 CO 0.00 -1.79 0.00 0.61 -0.54 0.00 0.00 174.62 172.90 1psy n GLY 44 N 5.58 2.75 2.05 3.99 0.00 -1.26 -5.12 105.19 113.19 1psy n GLY 44 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 1.61 4.07 -1.26 -5.17 120.64 119.89 1psy n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1psy n GLU 45 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1psy n GLU 46 N -2.90 0.80 -1.55 5.31 4.07 -1.26 -5.08 120.64 120.02 1psy n GLU 46 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1psy n GLU 46 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 1psy n GLU 46 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1psy n VAL 47 N 0.00 0.12 -1.38 6.31 0.31 -1.26 -4.86 118.33 117.57 1psy n VAL 47 Ca 0.00 -0.95 0.05 0.00 -0.01 0.00 0.00 64.34 63.43 1psy n VAL 47 Cb 0.00 0.91 0.19 0.00 -0.91 0.00 0.00 33.84 34.04 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 0.20 2.99 -4.82 7.52 4.77 -1.26 -4.34 117.00 122.07 1psy n LEU 48 Ca -0.03 -3.59 -0.33 0.00 -0.03 0.00 0.00 56.01 52.03 1psy n LEU 48 Cb 1.00 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1psy n LEU 48 CO -0.06 1.13 0.66 -0.60 -1.33 0.00 0.00 177.39 177.19 1psy s ARG 49 N -3.11 4.19 0.25 3.23 6.06 -1.18 -4.85 118.95 123.53 1psy s ARG 49 Ca 0.38 1.15 -0.12 0.00 -2.50 0.00 0.00 55.73 54.63 1psy s ARG 49 Cb 0.35 -2.18 0.33 0.00 0.06 0.00 0.00 34.95 33.52 1psy s ARG 49 CO -0.02 -0.07 1.57 0.52 -2.50 0.00 0.00 175.30 174.81 1psy h MET 50 N 1.88 -0.02 -3.02 5.12 2.86 -2.00 -1.28 114.93 118.48 1psy h MET 50 Ca -0.49 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 56.79 1psy h MET 50 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1psy h MET 50 CO 0.61 -0.01 2.07 -0.35 1.06 0.00 0.00 176.91 180.28 1psy n PRO 51 N -5.54 2.20 0.00 -0.22 -0.04 -1.26 -4.19 135.00 125.96 1psy n PRO 51 Ca 0.12 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 1psy n PRO 51 Cb 0.43 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1psy n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1psy n GLY 52 N 3.40 1.60 0.78 0.55 0.00 -0.50 -5.10 105.19 105.93 1psy n GLY 52 Ca 0.47 -0.59 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 1.34 0.00 0.00 0.00 173.32 174.66 1psy n ASP 53 N 0.00 0.00 -4.57 1.61 2.03 -1.12 -3.10 116.55 111.40 1psy n ASP 53 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 1psy n ASP 53 Cb 0.00 0.20 -0.08 0.00 -0.72 0.00 0.00 41.12 40.52 1psy n ASP 53 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1psy s GLU 54 N -0.59 1.84 -0.05 -0.67 1.03 -1.26 -4.83 118.70 114.16 1psy s GLU 54 Ca 0.00 -0.20 -0.02 0.00 0.03 0.00 0.00 54.97 54.78 1psy s GLU 54 Cb 0.00 -4.97 0.03 0.00 -0.80 0.00 0.00 34.13 28.39 1psy s GLU 54 CO 0.00 -4.43 0.03 1.21 -1.33 0.00 0.00 175.26 170.74 1psy s ASN 55 N 8.91 1.29 -0.91 0.83 2.47 -1.26 -5.07 114.94 121.20 1psy s ASN 55 Ca 0.81 0.00 -0.26 0.00 0.42 0.00 0.00 52.86 53.83 1psy s ASN 55 Cb -0.07 -0.27 -0.22 0.00 -1.45 0.00 0.00 41.25 39.24 1psy s ASN 55 CO 0.10 -0.22 2.53 0.00 -3.72 0.00 0.00 177.10 175.79 1psy n GLN 56 N 5.17 0.19 -3.64 0.43 1.13 -1.26 -4.81 117.38 114.58 1psy n GLN 56 Ca -0.06 -0.05 -0.02 0.00 -1.94 0.00 0.00 57.00 54.93 1psy n GLN 56 Cb 0.50 -1.82 -0.07 0.00 0.11 0.00 0.00 30.24 28.96 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 8.49 0.37 0.00 -1.09 2.00 -1.26 -5.00 119.66 123.17 1psy s GLN 57 Ca 1.27 0.63 0.00 0.00 -2.00 0.00 0.00 55.36 55.26 1psy s GLN 57 Cb -0.95 0.08 0.00 0.00 0.80 0.00 0.00 33.01 32.94 1psy s GLN 57 CO 0.45 -0.08 0.13 1.04 -0.50 0.00 0.00 175.29 176.33 1psy n GLN 58 N 3.61 0.00 -3.30 1.67 6.02 -1.26 -4.78 117.38 119.34 1psy n GLN 58 Ca -0.18 0.21 -0.25 0.00 -0.01 0.00 0.00 57.00 56.76 1psy n GLN 58 Cb 0.57 -0.80 -0.08 0.00 1.02 0.00 0.00 30.24 30.95 1psy n GLN 58 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1psy n GLU 59 N -1.13 1.05 -2.72 -1.09 0.28 -1.26 -4.93 120.64 110.84 1psy n GLU 59 Ca 0.00 -3.57 -0.05 0.00 -0.16 0.00 0.00 57.16 53.38 1psy n GLU 59 Cb 0.00 -1.54 0.04 0.00 1.43 0.00 0.00 31.44 31.37 1psy n GLU 59 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1psy n SER 60 N 1.54 -2.46 0.00 -1.84 2.88 -1.26 -4.98 113.62 107.50 1psy n SER 60 Ca 0.24 -2.42 0.06 0.00 -1.33 0.00 0.00 58.87 55.42 1psy n SER 60 Cb 0.49 1.37 0.26 0.00 -0.75 0.00 0.00 64.21 65.58 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 2.18 0.07 0.04 -1.46 10.64 -1.26 -2.70 117.38 124.89 1psy n GLN 61 Ca 0.11 0.25 -0.12 0.00 -1.83 0.00 0.00 57.00 55.41 1psy n GLN 61 Cb 0.63 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.42 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 -0.14 0.00 2.61 1.08 -2.01 -3.19 115.11 113.47 1psy h GLN 62 Ca 0.00 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1psy h GLN 62 Cb 0.16 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1psy h GLN 62 CO 0.00 0.31 -0.23 -0.07 -0.95 0.00 0.00 178.83 177.89 1psy h LEU 63 N -0.66 0.00 -1.94 1.46 4.07 -1.94 -1.38 115.31 114.91 1psy h LEU 63 Ca -0.01 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.15 1psy h LEU 63 Cb 0.52 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 1psy h LEU 63 CO 0.02 0.23 0.59 -0.61 -1.08 0.00 0.00 178.44 177.60 1psy h GLN 64 N 0.00 0.00 -0.07 1.13 4.15 -1.52 0.42 115.11 119.22 1psy h GLN 64 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1psy h GLN 64 Cb 0.52 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1psy h GLN 64 CO 0.03 0.00 -0.66 0.37 -1.93 0.00 0.00 178.83 176.64 1psy h GLN 65 N 0.00 0.30 -0.04 1.69 5.75 -1.33 0.11 115.11 121.59 1psy h GLN 65 Ca 0.33 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1psy h GLN 65 Cb 1.51 0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.11 1psy h GLN 65 CO -0.00 0.85 -0.18 0.00 -2.65 0.00 0.00 178.83 176.85 1psy h ASN 68 N 0.05 0.00 0.06 0.00 -1.24 -0.85 0.69 115.58 114.29 1psy h ASN 68 Ca 0.03 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.90 1psy h ASN 68 Cb 0.05 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.11 1psy h ASN 68 CO -0.00 0.06 -0.55 1.56 -1.29 0.00 0.00 177.43 177.21 1psy h GLN 69 N 0.00 0.27 0.00 6.67 1.08 0.61 -3.19 115.11 120.55 1psy h GLN 69 Ca -0.00 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1psy h GLN 69 Cb 0.17 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1psy h GLN 69 CO 0.01 1.12 0.00 0.28 -0.95 0.00 0.00 178.83 179.29 1psy n VAL 70 N -4.28 0.50 0.21 -0.54 0.31 0.15 -1.90 118.33 112.79 1psy n VAL 70 Ca -0.12 0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.44 1psy n VAL 70 Cb 0.68 -0.78 0.32 0.00 -0.91 0.00 0.00 33.84 33.15 1psy n VAL 70 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1psy h LYS 71 N 0.00 0.00 -0.58 5.55 3.64 -0.86 -2.65 116.57 121.68 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 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1psy h LYS 71 CO 0.00 0.18 0.00 1.04 -2.27 0.00 0.00 179.45 178.40 1psy n GLN 72 N -3.21 2.47 -1.19 1.90 1.13 -0.80 -4.98 117.38 112.70 1psy n GLN 72 Ca 0.02 -2.27 -0.31 0.00 -1.94 0.00 0.00 57.00 52.50 1psy n GLN 72 Cb 0.50 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.46 1psy n GLN 72 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1psy s VAL 73 N -1.24 3.09 -0.04 5.09 1.01 -1.00 -4.67 120.40 122.64 1psy s VAL 73 Ca 0.42 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 1psy s VAL 73 Cb 0.22 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1psy s VAL 73 CO 0.30 -0.46 -0.01 0.03 0.00 0.00 0.00 175.10 174.96 1psy h ARG 74 N -1.28 0.00 0.00 2.72 2.47 -1.92 -3.50 114.38 112.86 1psy h ARG 74 Ca -0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1psy h ARG 74 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1psy h ARG 74 CO 0.51 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 180.64 1psy n ASP 75 N -2.98 0.00 -0.49 7.04 5.68 -1.26 -4.93 116.55 119.61 1psy n ASP 75 Ca -0.00 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.36 1psy n ASP 75 Cb 0.02 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.03 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1psy n GLU 76 N 0.00 1.50 0.00 0.11 -0.00 0.17 -3.60 120.64 118.82 1psy n GLU 76 Ca 0.00 -1.10 0.10 0.00 -0.00 0.00 0.00 57.16 56.16 1psy n GLU 76 Cb 0.00 -1.28 0.01 0.00 -0.00 0.00 0.00 31.44 30.17 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 2.53 0.14 0.20 0.00 3.07 -1.93 0.65 115.11 119.77 1psy h GLN 78 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 1psy h GLN 78 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.26 1psy h GLN 78 CO 0.00 0.28 -0.10 0.00 0.09 0.00 0.00 178.83 179.10 1psy h GLU 80 N -0.97 0.00 0.07 0.00 4.57 -1.73 0.33 114.58 116.85 1psy h GLU 80 Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1psy h GLU 80 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1psy h GLU 80 CO 0.05 0.00 -0.04 0.00 -1.18 0.00 0.00 179.01 177.84 1psy h ALA 81 N 1.24 -0.10 -0.56 2.92 0.00 -0.78 -2.06 119.26 119.91 1psy h ALA 81 Ca 0.49 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1psy h ALA 81 Cb 2.23 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 20.01 1psy h ALA 81 CO -0.01 -0.32 0.28 0.82 0.00 0.00 0.00 179.25 180.03 1psy h ILE 82 N -0.57 0.94 0.00 0.00 1.08 -0.11 0.84 117.51 119.70 1psy h ILE 82 Ca -0.01 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1psy h ILE 82 Cb 0.48 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1psy h ILE 82 CO 0.02 0.10 0.00 0.29 -0.69 0.00 0.00 178.15 177.87 1psy n LYS 83 N -4.87 0.23 -0.30 2.37 4.01 -0.15 0.63 118.16 120.08 1psy n LYS 83 Ca 0.06 0.14 0.09 0.00 -0.51 0.00 0.00 58.31 58.09 1psy n LYS 83 Cb 0.16 -1.50 0.26 0.00 -0.51 0.00 0.00 35.03 33.44 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 -1.27 0.79 0.19 2.13 9.36 0.25 -3.60 117.16 125.02 1psy n TYR 84 Ca 0.07 -0.50 0.00 0.00 3.32 0.00 0.00 57.90 60.79 1psy n TYR 84 Cb 0.11 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 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 1.22 0.00 0.33 2.97 3.06 -0.51 -4.67 119.36 121.76 1psy n ILE 85 Ca 0.20 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.27 1psy n ILE 85 Cb 0.55 -0.14 -0.09 0.00 0.54 0.00 0.00 39.64 40.50 1psy n ILE 85 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1psy h ALA 86 N 0.00 -0.99 -0.09 1.51 0.00 -0.04 0.24 119.26 119.90 1psy h ALA 86 Ca 0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1psy h ALA 86 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1psy h ALA 86 CO 0.00 -1.08 -0.79 1.49 0.00 0.00 0.00 179.25 178.87 1psy h GLU 87 N -0.95 0.56 0.67 0.00 4.22 -1.69 -2.28 114.58 115.11 1psy h GLU 87 Ca -0.07 -0.48 -0.03 0.00 0.08 0.00 0.00 59.36 58.86 1psy h GLU 87 Cb 0.79 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 1psy h GLU 87 CO 0.03 1.11 -0.43 0.22 -2.18 0.00 0.00 179.01 177.76 1psy h ASP 88 N 0.37 -1.10 -0.49 1.04 1.82 -1.60 0.25 116.42 116.72 1psy h ASP 88 Ca -0.05 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.68 1psy h ASP 88 Cb 1.40 0.33 -0.03 0.00 0.68 0.00 0.00 39.33 41.71 1psy h ASP 88 CO 0.15 -0.66 0.33 0.06 -1.61 0.00 0.00 179.24 177.50 1psy h GLN 89 N -1.04 0.55 -0.51 0.28 3.07 -0.58 0.56 115.11 117.44 1psy h GLN 89 Ca -0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 1psy h GLN 89 Cb 0.85 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 28.26 1psy h GLN 89 CO 0.07 0.37 0.26 0.82 0.09 0.00 0.00 178.83 180.44 1psy h ILE 90 N 0.57 1.19 0.00 1.86 2.04 -0.48 0.65 117.51 123.34 1psy h ILE 90 Ca 0.19 -0.50 -0.19 0.00 1.00 0.00 0.00 64.86 65.36 1psy h ILE 90 Cb 0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1psy h ILE 90 CO -0.05 0.20 -0.92 0.06 0.00 0.00 0.00 178.15 177.44 1psy h GLN 91 N 0.68 0.00 0.00 2.37 3.07 0.65 -3.20 115.11 118.68 1psy h GLN 91 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.92 1psy h GLN 91 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.64 1psy h GLN 91 CO -0.03 0.90 -0.02 0.37 0.09 0.00 0.00 178.83 180.15 1psy h GLN 92 N 0.00 0.00 0.00 0.06 -0.00 0.25 -3.47 115.11 111.95 1psy h GLN 92 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.36 1psy h GLN 92 Cb 1.70 0.00 0.16 0.00 0.00 0.00 0.00 27.48 29.34 1psy h GLN 92 CO 0.12 0.14 -0.10 0.41 0.00 0.00 0.00 178.83 179.40 1psy n GLY 93 N 1.75 -3.76 1.87 2.39 0.00 0.23 -4.87 105.19 102.80 1psy n GLY 93 Ca -0.02 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.74 1.68 -0.61 1.61 6.02 -1.26 -4.42 117.38 115.66 1psy n GLN 94 Ca 0.10 -1.20 -0.07 0.00 -0.01 0.00 0.00 57.00 55.82 1psy n GLN 94 Cb 0.44 -1.55 0.15 0.00 1.02 0.00 0.00 30.24 30.30 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 0.89 4.55 -4.93 1.08 7.99 -1.21 -4.80 117.00 120.57 1psy n LEU 95 Ca 0.25 -2.36 -0.26 0.00 -0.01 0.00 0.00 56.01 53.63 1psy n LEU 95 Cb 0.58 -0.66 -0.02 0.00 -0.11 0.00 0.00 43.42 43.22 1psy n LEU 95 CO 0.25 0.68 0.19 -1.00 -1.51 0.00 0.00 177.39 176.00 1psy s HIS 96 N -1.88 3.50 0.00 -1.77 3.76 -1.26 -2.32 115.29 115.32 1psy s HIS 96 Ca 0.31 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 1psy s HIS 96 Cb 0.25 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.95 1psy s HIS 96 CO 0.07 0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 1psy n GLY 97 N -1.47 2.04 0.99 -2.22 0.00 -1.26 -3.99 105.19 99.28 1psy n GLY 97 Ca -0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 0.10 0.00 1.61 2.13 -1.26 -4.93 120.64 118.29 1psy n GLU 98 Ca 0.00 -0.66 0.06 0.00 0.66 0.00 0.00 57.16 57.22 1psy n GLU 98 Cb 0.00 0.47 0.03 0.00 0.27 0.00 0.00 31.44 32.21 1psy n GLU 98 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1psy n GLU 99 N -0.12 1.33 0.13 5.31 0.28 -1.26 -4.40 120.64 121.93 1psy n GLU 99 Ca -0.17 -0.95 0.02 0.00 -0.16 0.00 0.00 57.16 55.89 1psy n GLU 99 Cb 0.56 -1.19 0.36 0.00 1.43 0.00 0.00 31.44 32.61 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 1.87 0.18 0.65 -1.84 0.87 -1.77 -2.11 113.55 111.39 1psy h SER 100 Ca 0.00 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1psy h SER 100 Cb 0.46 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1psy h SER 100 CO 0.00 0.41 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.16 1psy h GLU 101 N 0.17 0.00 0.00 2.24 5.08 -1.89 -0.93 114.58 119.25 1psy h GLU 101 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1psy h GLU 101 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1psy h GLU 101 CO 0.03 0.22 -0.29 0.00 -1.00 0.00 0.00 179.01 177.97 1psy h ARG 102 N 0.00 0.00 0.07 2.33 3.08 -1.66 -2.29 114.38 115.91 1psy h ARG 102 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 1psy h ARG 102 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1psy h ARG 102 CO 0.03 0.29 -1.30 0.28 -1.07 0.00 0.00 179.97 178.20 1psy h VAL 103 N 0.00 1.40 -0.60 2.04 2.07 -1.18 -3.14 116.25 116.84 1psy h VAL 103 Ca -0.00 -3.07 -0.05 0.00 0.82 0.00 0.00 66.70 64.40 1psy h VAL 103 Cb 0.82 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 1psy h VAL 103 CO 0.04 0.85 0.16 0.00 0.02 0.00 0.00 177.57 178.64 1psy h ALA 104 N 0.74 1.14 -0.29 1.67 0.00 -1.09 0.91 119.26 122.34 1psy h ALA 104 Ca -0.14 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1psy h ALA 104 Cb 1.92 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1psy h ALA 104 CO 0.15 0.58 -0.34 -0.56 0.00 0.00 0.00 179.25 179.09 1psy h GLN 105 N 0.89 0.63 0.33 0.00 3.07 -1.52 0.23 115.11 118.74 1psy h GLN 105 Ca 0.20 -0.30 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 1psy h GLN 105 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1psy h GLN 105 CO -0.00 0.88 -0.16 0.00 0.09 0.00 0.00 178.83 179.64 1psy h ARG 106 N 0.53 -0.43 -0.48 0.06 -0.00 -1.32 -2.90 114.38 109.85 1psy h ARG 106 Ca 0.06 0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.57 1psy h ARG 106 Cb 0.84 0.10 -0.03 0.00 0.00 0.00 0.00 29.97 30.88 1psy h ARG 106 CO 0.07 -0.28 0.32 0.00 0.00 0.00 0.00 179.97 180.07 1psy h ALA 107 N -1.41 0.61 -1.15 0.04 0.00 -0.92 -1.12 119.26 115.32 1psy h ALA 107 Ca -0.05 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.22 1psy h ALA 107 Cb 0.34 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 1psy h ALA 107 CO 0.07 0.05 0.70 0.78 0.00 0.00 0.00 179.25 180.85 1psy h GLY 108 N 0.64 1.69 0.32 0.00 0.00 -0.62 0.19 103.07 105.30 1psy h GLY 108 Ca 0.18 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1psy h GLY 108 CO -0.05 -0.47 -0.44 0.83 0.00 0.00 0.00 176.54 176.41 1psy h GLU 109 N 0.17 -0.69 0.00 4.80 5.08 -0.98 0.25 114.58 123.21 1psy h GLU 109 Ca 0.78 0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 59.07 1psy h GLU 109 Cb 2.15 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.54 1psy h GLU 109 CO -0.52 -0.46 -0.54 0.82 -1.00 0.00 0.00 179.01 177.31 1psy h ILE 110 N -0.72 1.23 0.73 3.13 1.08 -0.84 -2.43 117.51 119.69 1psy h ILE 110 Ca 0.00 -1.95 -0.03 0.00 -0.39 0.00 0.00 64.86 62.49 1psy h ILE 110 Cb 0.71 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.56 1psy h ILE 110 CO -0.21 0.53 -0.47 0.58 -0.69 0.00 0.00 178.15 177.89 1psy h VAL 111 N 0.00 0.00 -0.50 1.67 2.07 -0.12 0.25 116.25 119.63 1psy h VAL 111 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1psy h VAL 111 Cb 1.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1psy h VAL 111 CO 0.07 0.00 0.36 0.77 0.02 0.00 0.00 177.57 178.79 1psy h SER 112 N -1.13 0.02 0.03 0.57 4.64 -0.36 0.25 113.55 117.58 1psy h SER 112 Ca -0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1psy h SER 112 Cb 0.91 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1psy h SER 112 CO 0.08 0.01 -0.02 0.28 -0.87 0.00 0.00 176.83 176.32 1psy h SER 113 N 0.02 -0.04 -0.02 4.97 0.02 -0.79 -3.45 113.55 114.26 1psy h SER 113 Ca 0.24 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.97 1psy h SER 113 Cb 0.92 0.01 -0.16 0.00 0.14 0.00 0.00 62.40 63.31 1psy h SER 113 CO -0.01 -0.01 -0.36 0.00 -1.14 0.00 0.00 176.83 175.31 1psy n GLY 115 N -0.68 0.72 3.60 0.00 0.00 0.75 -3.96 105.19 105.61 1psy n GLY 115 Ca -0.04 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 3.75 0.00 1.61 1.01 -0.36 -4.33 120.40 122.07 1psy s VAL 116 Ca 0.12 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1psy s VAL 116 Cb 0.14 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1psy s VAL 116 CO -0.06 -0.67 0.00 0.54 0.00 0.00 0.00 175.10 174.91 1psy n ARG 117 N 8.24 0.00 0.00 2.72 5.12 -1.26 -4.91 116.66 126.57 1psy n ARG 117 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1psy n ARG 117 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 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 -0.27 2.95 0.00 0.00 0.00 -1.26 -4.56 117.12 113.97 1psy n MET 119 Ca 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 57.70 55.20 1psy n MET 119 Cb 0.01 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 31.58 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 1.28 0.00 0.00 2.12 0.00 -1.26 -4.69 116.66 114.11 1psy n ARG 120 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1psy n ARG 120 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 33.10 1psy n ARG 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1psy n GLN 121 N -1.84 2.36 -2.65 -0.14 10.64 -1.24 -4.90 117.38 119.61 1psy n GLN 121 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 1psy n GLN 121 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 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 0.00 0.00 -1.38 -0.39 -1.04 -1.14 -3.87 114.28 106.46 1psy n THR 122 Ca 0.00 -0.71 -0.48 0.00 -2.04 0.00 0.00 64.05 60.82 1psy n THR 122 Cb 0.00 0.36 -0.03 0.00 -1.82 0.00 0.00 70.33 68.83 1psy n THR 122 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1psy n ARG 123 N -0.19 0.00 0.00 -2.82 1.74 -1.26 -4.89 116.66 109.24 1psy n ARG 123 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1psy n ARG 123 Cb 0.18 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1psy n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1psy n THR 124 N 0.15 0.00 -1.53 0.55 -2.24 -1.26 -5.00 114.28 104.95 1psy n THR 124 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1psy n THR 124 Cb 0.23 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1psy n THR 124 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04