#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psy n GLU 2 N 0.00 0.00 -2.70 0.00 0.28 -1.26 -5.02 120.64 111.95 1psy n GLU 2 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1psy n GLU 2 Cb 0.00 -0.01 0.09 0.00 1.43 0.00 0.00 31.44 32.95 1psy n GLU 2 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1psy n PHE 3 N -1.65 -2.02 -3.70 -1.84 7.35 -1.26 -5.15 117.46 109.19 1psy n PHE 3 Ca 0.00 -1.65 -0.10 0.00 -0.76 0.00 0.00 57.45 54.95 1psy n PHE 3 Cb 0.00 1.50 -0.03 0.00 0.35 0.00 0.00 39.48 41.30 1psy n PHE 3 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1psy s MET 4 N 0.18 1.45 0.27 -4.13 0.23 -1.26 -5.18 119.30 110.84 1psy s MET 4 Ca 0.19 -0.82 -0.10 0.00 -1.03 0.00 0.00 55.69 53.93 1psy s MET 4 Cb 0.30 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 34.15 1psy s MET 4 CO -0.08 -0.63 0.47 -1.83 -2.03 0.00 0.00 175.02 170.92 1psy s GLU 5 N -3.86 1.62 0.00 3.16 -1.05 -1.26 -5.03 118.70 112.28 1psy s GLU 5 Ca 0.08 -1.38 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 1psy s GLU 5 Cb -0.02 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1psy s GLU 5 CO -0.03 -0.67 0.00 0.43 0.95 0.00 0.00 175.26 175.94 1psy n SER 6 N -0.60 0.00 -2.10 0.83 7.64 -1.26 -5.18 113.62 112.94 1psy n SER 6 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1psy n SER 6 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1psy n SER 6 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1psy n LYS 7 N -0.21 0.34 0.00 1.43 4.81 -1.26 -5.10 118.16 118.17 1psy n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1psy n LYS 7 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1psy n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1psy n GLY 8 N 5.00 1.70 3.64 3.14 0.00 -1.26 -5.19 105.19 112.22 1psy n GLY 8 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.10 1.08 0.24 1.61 2.12 -1.26 -4.96 118.70 117.43 1psy s GLU 9 Ca 0.00 -0.53 -0.22 0.00 0.36 0.00 0.00 54.97 54.59 1psy s GLU 9 Cb 0.00 0.41 0.04 0.00 0.26 0.00 0.00 34.13 34.84 1psy s GLU 9 CO 0.00 -0.49 0.68 0.50 -0.54 0.00 0.00 175.26 175.41 1psy s ARG 10 N -3.27 1.61 0.04 4.30 3.52 -1.26 -4.87 118.95 119.01 1psy s ARG 10 Ca 0.09 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1psy s ARG 10 Cb -0.01 0.60 0.01 0.00 -1.56 0.00 0.00 34.95 33.99 1psy s ARG 10 CO -0.03 -0.73 0.05 -1.91 -0.81 0.00 0.00 175.30 171.87 1psy n GLU 11 N -0.43 0.13 0.00 5.12 4.07 -1.26 -4.56 120.64 123.71 1psy n GLU 11 Ca -0.08 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 1psy n GLU 11 Cb 0.61 -0.05 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 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 4.66 0.89 1.69 8.31 0.00 -1.26 -4.62 105.19 114.86 1psy n GLY 12 Ca 0.01 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.01 5.16 -3.56 1.61 7.64 -1.26 -4.85 113.62 118.35 1psy n SER 13 Ca 0.00 -2.82 -0.04 0.00 1.01 0.00 0.00 58.87 57.03 1psy n SER 13 Cb 0.00 -0.91 -0.00 0.00 -1.01 0.00 0.00 64.21 62.29 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 0.39 -0.10 0.86 6.43 1.04 -1.26 -5.13 113.70 115.93 1psy s SER 14 Ca 0.24 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1psy s SER 14 Cb 0.19 0.53 0.10 0.00 0.10 0.00 0.00 66.02 66.94 1psy s SER 14 CO 0.01 -1.01 0.22 -1.20 0.98 0.00 0.00 173.24 172.24 1psy n SER 15 N -0.80 -2.16 -0.37 7.02 7.64 -1.26 -4.78 113.62 118.90 1psy n SER 15 Ca -0.05 -0.23 -0.01 0.00 1.01 0.00 0.00 58.87 59.59 1psy n SER 15 Cb 0.60 -0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 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 -0.01 0.00 1.43 4.15 -1.87 -3.38 115.11 115.43 1psy h GLN 16 Ca -0.10 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1psy h GLN 16 Cb 0.34 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1psy h GLN 16 CO 0.06 -0.01 -0.04 1.04 -1.93 0.00 0.00 178.83 177.96 1psy n GLN 17 N -5.47 0.16 -0.14 1.69 6.02 -1.26 -4.65 117.38 113.73 1psy n GLN 17 Ca 0.10 -0.16 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 1psy n GLN 17 Cb 0.40 0.10 -0.01 0.00 1.02 0.00 0.00 30.24 31.74 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1psy h ARG 19 N 0.70 0.01 0.16 0.00 2.43 -1.94 0.83 114.38 116.57 1psy h ARG 19 Ca 0.09 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1psy h ARG 19 Cb 0.77 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1psy h ARG 19 CO 0.06 0.00 -0.15 0.37 -1.51 0.00 0.00 179.97 178.74 1psy h GLN 20 N 0.01 -0.30 0.00 0.20 4.15 -1.90 -1.00 115.11 116.26 1psy h GLN 20 Ca 0.89 0.02 -0.19 0.00 0.77 0.00 0.00 58.65 60.13 1psy h GLN 20 Cb 3.45 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 31.18 1psy h GLN 20 CO -0.07 -0.20 -0.96 0.93 -1.93 0.00 0.00 178.83 176.60 1psy h GLU 21 N -0.31 0.00 -0.07 1.69 3.07 -0.97 -3.21 114.58 114.78 1psy h GLU 21 Ca -0.02 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1psy h GLU 21 Cb 0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1psy h GLU 21 CO -0.01 0.82 0.05 0.28 -1.40 0.00 0.00 179.01 178.75 1psy h VAL 22 N 0.00 0.91 0.00 3.13 2.07 0.49 0.81 116.25 123.66 1psy h VAL 22 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1psy h VAL 22 Cb 1.70 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1psy h VAL 22 CO 0.11 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1psy n GLN 23 N -4.44 0.63 -0.72 1.57 -0.00 -0.38 -3.21 117.38 110.83 1psy n GLN 23 Ca -0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 57.00 57.00 1psy n GLN 23 Cb 0.16 -1.50 -0.01 0.00 -0.00 0.00 0.00 30.24 28.89 1psy n GLN 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1psy n ARG 24 N -1.07 0.00 0.00 2.61 1.85 0.10 -5.04 116.66 115.11 1psy n ARG 24 Ca 0.16 -0.71 0.00 0.00 -1.00 0.00 0.00 57.85 56.30 1psy n ARG 24 Cb 0.10 -0.03 0.00 0.00 -1.05 0.00 0.00 32.46 31.49 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 0.06 0.00 -0.64 2.89 4.81 0.24 -5.01 118.16 120.51 1psy n LYS 25 Ca -0.05 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.08 1psy n LYS 25 Cb 0.67 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.90 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 0.00 -2.49 0.00 3.14 9.92 -1.24 -3.93 116.55 121.95 1psy n ASP 26 Ca 0.00 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1psy n ASP 26 Cb 0.00 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 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 -1.77 0.00 -2.72 0.64 7.99 -1.26 -4.73 117.00 115.15 1psy n LEU 27 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.97 1psy n LEU 27 Cb 0.60 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.95 1psy n LEU 27 CO 0.49 0.00 0.01 -0.24 -1.51 0.00 0.00 177.39 176.13 1psy n SER 28 N 0.00 2.01 0.00 -1.43 2.88 -1.25 -4.78 113.62 111.04 1psy n SER 28 Ca 0.00 -2.32 0.00 0.00 -1.33 0.00 0.00 58.87 55.22 1psy n SER 28 Cb 0.00 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 -0.56 0.00 0.04 -3.46 2.88 -1.26 -4.86 113.62 106.40 1psy n SER 29 Ca 0.12 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.55 1psy n SER 29 Cb 0.82 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.24 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 -0.33 0.14 -0.76 0.00 4.57 -1.89 -2.97 114.58 113.34 1psy h GLU 31 Ca 0.07 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1psy h GLU 31 Cb 0.43 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1psy h GLU 31 CO -0.23 0.77 0.31 -0.09 -1.18 0.00 0.00 179.01 178.59 1psy h ARG 32 N 0.10 1.13 -0.77 1.92 9.65 -1.60 -2.04 114.38 122.77 1psy h ARG 32 Ca -0.01 -0.20 0.15 0.00 -1.10 0.00 0.00 59.98 58.82 1psy h ARG 32 Cb 1.21 -0.19 -0.10 0.00 -1.39 0.00 0.00 29.97 29.50 1psy h ARG 32 CO 0.10 0.91 0.30 -0.92 2.80 0.00 0.00 179.97 183.16 1psy h TYR 33 N 1.11 0.51 -0.00 2.20 3.20 0.78 0.67 116.97 125.43 1psy h TYR 33 Ca 0.26 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 62.01 1psy h TYR 33 Cb 0.20 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1psy h TYR 33 CO 0.02 0.04 -0.73 1.37 -1.64 0.00 0.00 178.16 177.22 1psy h LEU 34 N 0.43 0.05 -0.15 2.82 8.10 -1.56 -3.17 115.31 121.84 1psy h LEU 34 Ca 0.43 -0.04 -0.03 0.00 0.11 0.00 0.00 57.88 58.36 1psy h LEU 34 Cb 0.68 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.88 1psy h LEU 34 CO -0.43 0.77 -0.01 -0.09 -4.11 0.00 0.00 178.44 174.56 1psy h ARG 35 N 0.03 0.27 0.00 0.17 9.65 0.16 -3.45 114.38 121.21 1psy h ARG 35 Ca -0.01 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1psy h ARG 35 Cb 1.30 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1psy h ARG 35 CO 0.10 0.52 0.00 1.04 2.80 0.00 0.00 179.97 184.43 1psy n GLN 36 N -4.74 0.19 0.00 0.20 3.00 0.20 -5.03 117.38 111.20 1psy n GLN 36 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1psy n GLN 36 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.47 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 -2.19 0.00 -3.73 1.08 2.88 -1.26 -4.93 113.62 105.47 1psy n SER 37 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1psy n SER 37 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 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 -1.00 3.25 0.33 -3.46 0.15 -1.26 -4.82 113.70 106.88 1psy s SER 38 Ca 0.00 -1.06 -0.01 0.00 0.70 0.00 0.00 55.95 55.59 1psy s SER 38 Cb 0.00 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1psy s SER 38 CO 0.00 -0.34 0.43 -1.54 1.20 0.00 0.00 173.24 173.00 1psy n SER 39 N 5.01 -1.20 -1.98 5.45 3.41 -1.26 -5.18 113.62 117.86 1psy n SER 39 Ca -0.07 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1psy n SER 39 Cb 0.45 2.28 0.00 0.00 -0.26 0.00 0.00 64.21 66.68 1psy n SER 39 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1psy n ARG 40 N -0.55 0.51 -3.65 4.33 0.63 -1.26 -4.73 116.66 111.95 1psy n ARG 40 Ca 0.01 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.93 1psy n ARG 40 Cb 0.55 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.41 1psy n ARG 40 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1psy s ARG 41 N -2.32 0.01 -0.38 -0.14 3.00 -1.26 -5.03 118.95 112.82 1psy s ARG 41 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 55.73 54.79 1psy s ARG 41 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 34.95 35.25 1psy s ARG 41 CO 0.00 -0.00 1.25 0.43 0.00 0.00 0.00 175.30 176.97 1psy n SER 42 N 0.93 -1.72 -0.28 -2.12 7.64 -1.26 -4.97 113.62 111.85 1psy n SER 42 Ca -0.04 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.26 1psy n SER 42 Cb 0.58 1.39 0.00 0.00 -1.01 0.00 0.00 64.21 65.17 1psy n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1psy n THR 43 N 0.13 0.00 0.00 0.44 -1.04 -1.26 -4.87 114.28 107.67 1psy n THR 43 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1psy n THR 43 Cb 0.74 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 1psy n THR 43 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1psy n GLY 44 N 0.00 0.73 0.10 3.41 0.00 -1.26 -5.00 105.19 103.17 1psy n GLY 44 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1psy n GLY 44 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1psy h GLU 45 N 0.00 0.03 -2.23 1.61 4.11 -2.03 -3.47 114.58 112.60 1psy h GLU 45 Ca 0.00 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 1psy h GLU 45 Cb 0.00 0.02 -0.27 0.00 0.50 0.00 0.00 28.75 29.00 1psy h GLU 45 CO 0.00 1.03 -0.37 -2.00 0.07 0.00 0.00 179.01 177.74 1psy s GLU 46 N -2.35 0.37 -0.42 1.06 2.12 -1.26 -5.06 118.70 113.16 1psy s GLU 46 Ca -0.25 0.96 0.08 0.00 0.36 0.00 0.00 54.97 56.12 1psy s GLU 46 Cb 0.04 0.21 0.31 0.00 0.26 0.00 0.00 34.13 34.95 1psy s GLU 46 CO 0.64 -0.36 0.88 0.28 -0.54 0.00 0.00 175.26 176.16 1psy n VAL 47 N 5.39 -0.14 -2.17 3.70 0.31 -1.26 -4.91 118.33 119.25 1psy n VAL 47 Ca -0.07 -2.86 -0.05 0.00 -0.01 0.00 0.00 64.34 61.35 1psy n VAL 47 Cb 0.50 0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 33.87 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 0.64 -0.70 -4.19 7.52 -0.00 -1.26 -4.83 117.00 114.18 1psy n LEU 48 Ca 0.15 -2.17 -0.11 0.00 -0.00 0.00 0.00 56.01 53.88 1psy n LEU 48 Cb 0.66 0.02 -0.10 0.00 -0.00 0.00 0.00 43.42 44.00 1psy n LEU 48 CO 0.12 1.37 -0.36 -0.60 -0.00 0.00 0.00 177.39 177.91 1psy s ARG 49 N -0.07 0.92 0.91 1.47 3.52 -1.26 -5.16 118.95 119.28 1psy s ARG 49 Ca 0.07 -1.40 -0.12 0.00 -0.13 0.00 0.00 55.73 54.14 1psy s ARG 49 Cb 0.12 -0.19 0.14 0.00 -1.56 0.00 0.00 34.95 33.45 1psy s ARG 49 CO -0.04 -0.07 1.11 -1.64 -0.81 0.00 0.00 175.30 173.85 1psy s MET 50 N -3.87 1.16 0.02 5.12 -1.94 -1.26 -5.00 119.30 113.53 1psy s MET 50 Ca 0.16 0.47 -0.30 0.00 -1.71 0.00 0.00 55.69 54.31 1psy s MET 50 Cb 0.06 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 35.02 1psy s MET 50 CO -0.02 -2.23 1.20 -1.25 -0.01 0.00 0.00 175.02 172.72 1psy s PRO 51 N -5.14 4.41 0.00 2.03 0.04 -1.26 -4.80 135.00 130.28 1psy s PRO 51 Ca 0.64 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1psy s PRO 51 Cb -0.16 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1psy s PRO 51 CO 0.55 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1psy n GLY 52 N 3.27 -0.95 0.27 0.56 0.00 -1.26 -4.98 105.19 102.09 1psy n GLY 52 Ca 0.10 0.65 -0.00 0.00 0.00 0.00 0.00 46.02 46.76 1psy n GLY 52 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1psy h ASP 53 N 0.00 0.52 -1.21 1.61 3.58 -2.02 -3.39 116.42 115.51 1psy h ASP 53 Ca 0.00 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 1psy h ASP 53 Cb 0.00 -0.06 0.04 0.00 1.72 0.00 0.00 39.33 41.04 1psy h ASP 53 CO 0.00 0.32 -0.03 -0.62 -2.88 0.00 0.00 179.24 176.03 1psy n GLU 54 N -4.81 -1.78 -1.31 0.28 4.71 -1.26 -4.55 120.64 111.92 1psy n GLU 54 Ca 0.10 -0.27 -0.42 0.00 -0.01 0.00 0.00 57.16 56.55 1psy n GLU 54 Cb 0.22 -0.40 -0.13 0.00 -1.01 0.00 0.00 31.44 30.11 1psy n GLU 54 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1psy n ASN 55 N -2.82 0.38 -4.60 1.62 5.15 -1.26 -4.70 115.26 109.03 1psy n ASN 55 Ca 0.03 0.29 -0.43 0.00 -0.60 0.00 0.00 54.58 53.87 1psy n ASN 55 Cb 0.11 -0.84 -0.03 0.00 -0.53 0.00 0.00 39.78 38.50 1psy n ASN 55 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1psy s GLN 56 N 7.47 3.17 -0.22 1.20 -0.44 -1.26 -4.74 119.66 124.84 1psy s GLN 56 Ca 1.20 1.82 -0.28 0.00 -2.50 0.00 0.00 55.36 55.60 1psy s GLN 56 Cb -1.22 -4.32 0.14 0.00 -1.64 0.00 0.00 33.01 25.97 1psy s GLN 56 CO 0.49 -2.06 1.08 -1.14 0.50 0.00 0.00 175.29 174.16 1psy s GLN 57 N 6.18 0.47 0.36 1.67 2.00 -1.26 -5.02 119.66 124.06 1psy s GLN 57 Ca 0.94 0.28 0.19 0.00 -2.00 0.00 0.00 55.36 54.77 1psy s GLN 57 Cb -0.29 0.23 1.28 0.00 0.80 0.00 0.00 33.01 35.03 1psy s GLN 57 CO 0.34 -0.11 1.60 1.96 -0.50 0.00 0.00 175.29 178.58 1psy h GLN 58 N 3.11 0.07 0.00 1.67 4.20 -1.99 -3.41 115.11 118.76 1psy h GLN 58 Ca -0.21 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1psy h GLN 58 Cb 1.17 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1psy h GLN 58 CO 0.22 0.05 0.00 -0.85 -0.67 0.00 0.00 178.83 177.58 1psy n GLU 59 N -5.22 0.00 -2.72 1.46 0.28 -1.26 -4.92 120.64 108.26 1psy n GLU 59 Ca 0.36 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.32 1psy n GLU 59 Cb 1.21 0.00 0.02 0.00 1.43 0.00 0.00 31.44 34.11 1psy n GLU 59 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1psy n SER 60 N 0.00 -2.56 0.17 -1.84 3.41 -1.26 -4.99 113.62 106.56 1psy n SER 60 Ca 0.00 -2.10 0.12 0.00 -0.26 0.00 0.00 58.87 56.62 1psy n SER 60 Cb 0.00 1.31 0.63 0.00 -0.26 0.00 0.00 64.21 65.90 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 4.56 0.00 0.30 4.33 -0.00 -1.96 -1.99 115.11 120.36 1psy h GLN 61 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1psy h GLN 61 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 1psy h GLN 61 CO -0.03 0.00 -0.15 1.96 -0.00 0.00 0.00 178.83 180.61 1psy h GLN 62 N 0.00 -0.39 0.00 0.06 4.20 -1.94 -3.25 115.11 113.79 1psy h GLN 62 Ca 0.00 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1psy h GLN 62 Cb 0.01 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1psy h GLN 62 CO 0.00 -0.26 -0.01 -0.07 -0.67 0.00 0.00 178.83 177.81 1psy h LEU 63 N -0.75 0.00 -1.97 1.46 4.07 -1.90 -0.22 115.31 115.99 1psy h LEU 63 Ca -0.04 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.18 1psy h LEU 63 Cb 0.31 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.01 1psy h LEU 63 CO 0.07 0.01 0.65 -0.61 -1.08 0.00 0.00 178.44 177.49 1psy h GLN 64 N 0.00 0.02 -0.11 1.13 4.15 -1.40 0.69 115.11 119.59 1psy h GLN 64 Ca -0.00 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 1psy h GLN 64 Cb 0.04 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1psy h GLN 64 CO 0.00 0.01 -0.43 0.37 -1.93 0.00 0.00 178.83 176.86 1psy h GLN 65 N 0.02 0.25 -0.01 1.69 5.75 -1.11 0.12 115.11 121.82 1psy h GLN 65 Ca 0.44 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.80 1psy h GLN 65 Cb 1.71 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.26 1psy h GLN 65 CO -0.02 0.64 -0.03 0.00 -2.65 0.00 0.00 178.83 176.77 1psy h ASN 68 N -0.10 0.00 -0.03 0.00 -1.24 -1.05 -0.94 115.58 112.22 1psy h ASN 68 Ca 0.06 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.03 1psy h ASN 68 Cb 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1psy h ASN 68 CO -0.14 0.09 -0.16 1.56 -1.29 0.00 0.00 177.43 177.49 1psy h GLN 69 N 0.00 0.15 0.00 6.67 1.08 0.98 -2.96 115.11 121.02 1psy h GLN 69 Ca -0.00 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1psy h GLN 69 Cb 0.18 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1psy h GLN 69 CO 0.01 0.80 0.00 0.28 -0.95 0.00 0.00 178.83 178.97 1psy n VAL 70 N -4.60 1.03 0.40 -0.54 0.31 0.21 -0.78 118.33 114.36 1psy n VAL 70 Ca -0.09 0.43 0.13 0.00 -0.01 0.00 0.00 64.34 64.81 1psy n VAL 70 Cb 0.42 -1.37 0.51 0.00 -0.91 0.00 0.00 33.84 32.49 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 -0.59 5.55 3.64 -1.01 -1.95 116.57 122.21 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 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1psy h LYS 71 CO 0.00 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.22 1psy n GLN 72 N -2.45 2.57 -2.38 1.90 6.02 0.04 -4.96 117.38 118.11 1psy n GLN 72 Ca 0.02 -2.41 -0.38 0.00 -0.01 0.00 0.00 57.00 54.22 1psy n GLN 72 Cb 0.28 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 1psy n GLN 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1psy s VAL 73 N -1.22 3.33 0.07 5.09 1.01 -0.74 -4.29 120.40 123.65 1psy s VAL 73 Ca 0.44 1.15 -0.32 0.00 0.00 0.00 0.00 61.98 63.24 1psy s VAL 73 Cb 0.24 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.81 1psy s VAL 73 CO 0.32 0.13 1.50 0.03 0.00 0.00 0.00 175.10 177.07 1psy h ARG 74 N 2.87 -0.91 0.00 2.72 -0.00 -1.91 -3.48 114.38 113.67 1psy h ARG 74 Ca -0.48 0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.06 1psy h ARG 74 Cb 1.23 0.21 0.00 0.00 0.00 0.00 0.00 29.97 31.40 1psy h ARG 74 CO 0.63 -0.61 0.00 -0.40 0.00 0.00 0.00 179.97 179.60 1psy n ASP 75 N -5.19 0.00 -0.43 7.04 5.68 -1.26 -4.92 116.55 117.47 1psy n ASP 75 Ca -0.11 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.22 1psy n ASP 75 Cb 0.42 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.47 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 1.11 0.00 0.11 0.28 -1.26 -4.19 120.64 116.69 1psy n GLU 76 Ca 0.00 -1.34 0.12 0.00 -0.16 0.00 0.00 57.16 55.78 1psy n GLU 76 Cb 0.00 -1.20 0.13 0.00 1.43 0.00 0.00 31.44 31.81 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 4.05 0.40 0.00 0.00 3.07 -1.96 0.97 115.11 121.65 1psy h GLN 78 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1psy h GLN 78 Cb 0.90 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.40 1psy h GLN 78 CO 0.00 0.43 0.00 0.00 0.09 0.00 0.00 178.83 179.35 1psy h GLU 80 N 0.00 0.00 -0.36 0.00 4.57 -1.80 0.64 114.58 117.63 1psy h GLU 80 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1psy h GLU 80 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1psy h GLU 80 CO 0.00 0.00 0.17 0.00 -1.18 0.00 0.00 179.01 178.00 1psy h ALA 81 N 1.20 0.44 -0.61 2.92 0.00 -0.80 -1.56 119.26 120.86 1psy h ALA 81 Ca 0.48 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.36 1psy h ALA 81 Cb 2.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.94 1psy h ALA 81 CO -0.01 -0.21 0.18 0.82 0.00 0.00 0.00 179.25 180.04 1psy h ILE 82 N 0.35 1.24 0.00 0.00 1.08 0.43 -1.26 117.51 119.34 1psy h ILE 82 Ca 0.16 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1psy h ILE 82 Cb 0.08 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1psy h ILE 82 CO -0.12 0.31 0.06 0.11 -0.69 0.00 0.00 178.15 177.82 1psy h LYS 83 N 0.90 0.00 -0.94 2.37 6.56 -0.95 0.87 116.57 125.37 1psy h LYS 83 Ca 0.20 0.00 -0.39 0.00 -1.06 0.00 0.00 60.65 59.40 1psy h LYS 83 Cb 0.28 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 31.71 1psy h LYS 83 CO -0.01 0.00 0.49 0.98 -2.06 0.00 0.00 179.45 178.86 1psy n TYR 84 N -2.57 2.60 0.00 -1.35 9.36 -0.48 -3.68 117.16 121.04 1psy n TYR 84 Ca -0.02 -1.53 0.00 0.00 3.32 0.00 0.00 57.90 59.67 1psy n TYR 84 Cb 0.10 -0.81 0.00 0.00 -0.63 0.00 0.00 39.34 38.00 1psy n TYR 84 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1psy n ILE 85 N -0.73 0.00 1.61 2.97 -5.35 -0.05 -4.39 119.36 113.44 1psy n ILE 85 Ca 0.49 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 63.01 1psy n ILE 85 Cb 1.48 0.00 0.24 0.00 -1.74 0.00 0.00 39.64 39.62 1psy n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1psy n ALA 86 N -0.97 2.36 0.00 -1.28 0.00 0.28 -2.79 120.51 118.11 1psy n ALA 86 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1psy n ALA 86 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.66 0.00 0.08 0.00 4.07 -1.26 -4.92 120.64 117.95 1psy n GLU 87 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1psy n GLU 87 Cb 0.03 0.00 0.32 0.00 -0.06 0.00 0.00 31.44 31.73 1psy n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1psy h ASP 88 N 0.00 0.31 -0.43 4.31 5.19 -1.68 -2.16 116.42 121.95 1psy h ASP 88 Ca 0.00 -0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.28 1psy h ASP 88 Cb 0.00 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1psy h ASP 88 CO 0.00 0.50 0.05 0.06 -3.12 0.00 0.00 179.24 176.73 1psy h GLN 89 N 0.30 0.73 -0.99 3.56 3.07 -1.72 0.28 115.11 120.34 1psy h GLN 89 Ca 0.06 -0.21 0.26 0.00 0.09 0.00 0.00 58.65 58.85 1psy h GLN 89 Cb 0.47 -0.08 -0.07 0.00 0.08 0.00 0.00 27.48 27.89 1psy h GLN 89 CO 0.03 0.77 0.67 0.82 0.09 0.00 0.00 178.83 181.21 1psy h ILE 90 N 0.58 0.56 0.00 1.86 2.04 -1.58 0.87 117.51 121.85 1psy h ILE 90 Ca 0.13 -0.09 -0.19 0.00 1.00 0.00 0.00 64.86 65.71 1psy h ILE 90 Cb 0.41 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1psy h ILE 90 CO 0.01 0.05 -1.58 0.00 0.00 0.00 0.00 178.15 176.64 1psy n GLN 91 N -4.46 0.63 0.17 2.37 1.13 -0.95 -3.58 117.38 112.69 1psy n GLN 91 Ca 0.22 0.18 -0.08 0.00 -1.94 0.00 0.00 57.00 55.38 1psy n GLN 91 Cb 0.89 -1.76 -0.04 0.00 0.11 0.00 0.00 30.24 29.44 1psy n GLN 91 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1psy h GLN 92 N 0.00 -0.49 0.00 -1.09 4.15 0.37 -3.47 115.11 114.59 1psy h GLN 92 Ca -0.20 0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.09 1psy h GLN 92 Cb 1.65 0.11 0.07 0.00 0.21 0.00 0.00 27.48 29.52 1psy h GLN 92 CO 0.04 -0.31 0.11 0.41 -1.93 0.00 0.00 178.83 177.15 1psy n GLY 93 N 0.49 -1.83 2.25 2.39 0.00 0.25 -4.93 105.19 103.81 1psy n GLY 93 Ca -0.06 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.38 2.16 -0.01 1.61 6.02 -1.26 -4.36 117.38 119.17 1psy n GLN 94 Ca 0.06 -1.84 0.14 0.00 -0.01 0.00 0.00 57.00 55.36 1psy n GLN 94 Cb 0.22 -1.98 0.72 0.00 1.02 0.00 0.00 30.24 30.22 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 1.16 0.67 -4.45 1.08 7.99 -1.23 -4.87 117.00 117.35 1psy n LEU 95 Ca 0.43 -0.23 -0.30 0.00 -0.01 0.00 0.00 56.01 55.89 1psy n LEU 95 Cb 0.63 -0.01 0.26 0.00 -0.11 0.00 0.00 43.42 44.20 1psy n LEU 95 CO 0.28 0.12 0.51 -1.00 -1.51 0.00 0.00 177.39 175.79 1psy s HIS 96 N -1.99 0.13 0.00 -1.77 3.76 -1.25 -2.39 115.29 111.79 1psy s HIS 96 Ca 0.41 0.63 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 1psy s HIS 96 Cb 0.21 -3.15 0.00 0.00 1.11 0.00 0.00 32.58 30.75 1psy s HIS 96 CO 0.34 -4.37 0.00 0.41 -0.85 0.00 0.00 174.74 170.27 1psy n GLY 97 N 0.32 2.29 2.56 -2.22 0.00 -1.26 -3.80 105.19 103.08 1psy n GLY 97 Ca 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 0.30 -1.73 1.61 2.13 -1.26 -5.00 120.64 116.70 1psy n GLU 98 Ca 0.00 -0.76 0.02 0.00 0.66 0.00 0.00 57.16 57.08 1psy n GLU 98 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.74 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 -0.51 0.33 0.01 5.31 0.28 -1.18 -4.86 120.64 120.03 1psy n GLU 99 Ca -0.22 -2.19 -0.22 0.00 -0.16 0.00 0.00 57.16 54.36 1psy n GLU 99 Cb 0.66 -0.25 -0.14 0.00 1.43 0.00 0.00 31.44 33.14 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 1.22 0.40 0.26 -1.84 0.87 -1.77 -3.32 113.55 109.38 1psy h SER 100 Ca -0.24 -0.87 -0.04 0.00 -1.23 0.00 0.00 61.79 59.41 1psy h SER 100 Cb 1.74 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 1psy h SER 100 CO 0.08 1.71 -0.20 -0.08 -0.53 0.00 0.00 176.83 177.81 1psy h GLU 101 N -0.19 0.00 0.00 2.24 4.57 -1.89 0.13 114.58 119.44 1psy h GLU 101 Ca -0.35 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1psy h GLU 101 Cb 1.86 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.44 1psy h GLU 101 CO 0.07 0.20 -0.18 0.07 -1.18 0.00 0.00 179.01 177.98 1psy h ARG 102 N 0.00 0.00 0.00 1.92 0.11 -1.92 -2.19 114.38 112.31 1psy h ARG 102 Ca -0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1psy h ARG 102 Cb 0.38 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 1psy h ARG 102 CO 0.03 0.18 -0.13 0.28 0.10 0.00 0.00 179.97 180.43 1psy h VAL 103 N 0.00 0.12 0.00 0.08 2.07 -0.85 -3.15 116.25 114.52 1psy h VAL 103 Ca -0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1psy h VAL 103 Cb 0.60 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1psy h VAL 103 CO 0.02 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1psy n ALA 104 N -2.12 -0.15 -0.33 1.67 0.00 -0.82 -1.45 120.51 117.31 1psy n ALA 104 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1psy n ALA 104 Cb 0.56 0.03 0.31 0.00 0.00 0.00 0.00 19.45 20.35 1psy n ALA 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1psy h GLN 105 N 0.00 0.82 -0.75 0.00 3.07 -1.74 -0.04 115.11 116.46 1psy h GLN 105 Ca 0.00 -0.05 0.17 0.00 0.09 0.00 0.00 58.65 58.86 1psy h GLN 105 Cb 0.00 -0.18 -0.13 0.00 0.08 0.00 0.00 27.48 27.24 1psy h GLN 105 CO 0.00 0.54 -0.02 0.00 0.09 0.00 0.00 178.83 179.45 1psy h ARG 106 N 0.84 0.09 -0.19 0.06 -0.00 -1.48 0.56 114.38 114.25 1psy h ARG 106 Ca 0.49 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.98 59.85 1psy h ARG 106 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.60 1psy h ARG 106 CO -0.26 0.06 -0.34 0.00 0.00 0.00 0.00 179.97 179.43 1psy h ALA 107 N 1.71 0.30 -0.55 0.04 0.00 0.14 -2.98 119.26 117.92 1psy h ALA 107 Ca 0.41 -0.43 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1psy h ALA 107 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1psy h ALA 107 CO -0.68 0.36 0.40 0.78 0.00 0.00 0.00 179.25 180.10 1psy h GLY 108 N 0.24 0.03 0.79 0.00 0.00 0.17 -0.93 103.07 103.37 1psy h GLY 108 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1psy h GLY 108 CO 0.08 0.00 0.31 0.83 0.00 0.00 0.00 176.54 177.76 1psy h GLU 109 N 0.02 0.59 0.00 4.80 5.08 0.11 0.02 114.58 125.20 1psy h GLU 109 Ca 0.26 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 1psy h GLU 109 Cb 1.03 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1psy h GLU 109 CO -0.01 0.39 -0.86 0.82 -1.00 0.00 0.00 179.01 178.36 1psy h ILE 110 N 0.61 1.54 0.24 3.13 1.08 -1.31 -3.14 117.51 119.65 1psy h ILE 110 Ca 0.24 -3.01 0.01 0.00 -0.39 0.00 0.00 64.86 61.70 1psy h ILE 110 Cb 0.09 2.66 -0.03 0.00 -3.07 0.00 0.00 36.82 36.47 1psy h ILE 110 CO -0.13 0.84 -0.30 0.58 -0.69 0.00 0.00 178.15 178.45 1psy h VAL 111 N 0.00 0.37 -0.20 1.67 2.07 -0.21 0.25 116.25 120.20 1psy h VAL 111 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1psy h VAL 111 Cb 1.59 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1psy h VAL 111 CO 0.11 0.00 0.20 -1.28 0.02 0.00 0.00 177.57 176.62 1psy h SER 112 N -0.59 0.00 0.00 0.57 0.87 -1.07 -0.42 113.55 112.92 1psy h SER 112 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1psy h SER 112 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1psy h SER 112 CO -0.10 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.00 1psy n SER 113 N -3.95 0.00 -2.70 6.23 7.64 -0.14 -4.84 113.62 115.86 1psy n SER 113 Ca 0.02 0.22 -0.06 0.00 1.01 0.00 0.00 58.87 60.06 1psy n SER 113 Cb 0.33 -0.15 0.08 0.00 -1.01 0.00 0.00 64.21 63.45 1psy n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1psy n GLY 115 N -0.51 0.73 3.58 0.00 0.00 -0.38 -4.16 105.19 104.46 1psy n GLY 115 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1psy n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1psy s VAL 116 N -0.12 3.71 0.00 1.61 0.11 -0.31 -4.35 120.40 121.05 1psy s VAL 116 Ca 0.05 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1psy s VAL 116 Cb 0.05 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1psy s VAL 116 CO -0.02 -0.87 0.00 0.54 -3.33 0.00 0.00 175.10 171.42 1psy n ARG 117 N 8.51 0.00 0.00 1.54 5.12 -1.26 -4.65 116.66 125.92 1psy n ARG 117 Ca 0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1psy n ARG 117 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 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 -0.22 1.76 0.00 0.00 0.00 -1.26 -4.74 117.12 112.66 1psy n MET 119 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 57.70 56.29 1psy n MET 119 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 31.75 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 0.61 0.00 0.00 2.12 0.63 -1.26 -4.94 116.66 113.82 1psy n ARG 120 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1psy n ARG 120 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1psy n ARG 120 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1psy n GLN 121 N -2.06 0.90 -3.99 -0.14 7.27 -1.21 -4.93 117.38 113.22 1psy n GLN 121 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 1psy n GLN 121 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1psy n GLN 121 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1psy s THR 122 N -0.10 0.00 -0.54 1.69 2.01 -1.06 -4.48 115.64 113.16 1psy s THR 122 Ca 0.00 -1.38 -0.26 0.00 0.31 0.00 0.00 61.69 60.36 1psy s THR 122 Cb 0.00 -2.72 -0.08 0.00 0.01 0.00 0.00 72.50 69.70 1psy s THR 122 CO 0.00 0.00 2.43 0.54 -0.69 0.00 0.00 174.62 176.90 1psy n ARG 123 N -0.55 0.95 0.00 4.92 1.74 -1.26 -4.80 116.66 117.65 1psy n ARG 123 Ca -0.02 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1psy n ARG 123 Cb 0.61 -3.43 0.00 0.00 -1.02 0.00 0.00 32.46 28.62 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 8.08 0.00 1.86 0.55 -2.24 -1.26 -5.19 114.28 116.08 1psy n THR 124 Ca 0.39 0.23 0.15 0.00 -2.27 0.00 0.00 64.05 62.55 1psy n THR 124 Cb 0.52 -0.99 0.83 0.00 -2.10 0.00 0.00 70.33 68.60 1psy n THR 124 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30