#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 1.28 1.05 0.00 2.02 -1.26 -5.03 118.70 116.77 1psy s GLU 2 Ca 0.00 -1.00 -0.13 0.00 0.02 0.00 0.00 54.97 53.86 1psy s GLU 2 Cb 0.00 0.46 0.17 0.00 0.10 0.00 0.00 34.13 34.86 1psy s GLU 2 CO 0.00 -0.52 0.77 1.97 0.02 0.00 0.00 175.26 177.50 1psy n PHE 3 N -0.29 -0.71 -3.61 1.61 1.16 -1.26 -5.06 117.46 109.31 1psy n PHE 3 Ca -0.09 0.12 -0.02 0.00 -1.87 0.00 0.00 57.45 55.59 1psy n PHE 3 Cb 0.63 -1.78 -0.02 0.00 -1.61 0.00 0.00 39.48 36.70 1psy n PHE 3 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1psy s MET 4 N -4.16 0.23 0.34 3.97 -1.94 -1.26 -5.16 119.30 111.32 1psy s MET 4 Ca 0.64 -0.10 -0.15 0.00 -1.71 0.00 0.00 55.69 54.38 1psy s MET 4 Cb -0.22 0.10 -0.09 0.00 2.01 0.00 0.00 34.83 36.64 1psy s MET 4 CO 0.64 -0.10 0.75 -1.83 -0.01 0.00 0.00 175.02 174.47 1psy s GLU 5 N -2.30 3.98 0.00 2.03 -1.05 -1.26 -5.05 118.70 115.05 1psy s GLU 5 Ca 0.11 0.66 0.00 0.00 -0.15 0.00 0.00 54.97 55.60 1psy s GLU 5 Cb 0.01 -2.41 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 1psy s GLU 5 CO -0.04 0.11 0.00 0.43 0.95 0.00 0.00 175.26 176.71 1psy n SER 6 N -0.54 0.00 -3.87 0.83 7.64 -1.26 -5.13 113.62 111.28 1psy n SER 6 Ca 0.04 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 1psy n SER 6 Cb 0.53 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.60 1psy n SER 6 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1psy s LYS 7 N 0.00 0.12 0.00 1.43 0.00 -1.26 -4.86 119.74 115.17 1psy s LYS 7 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 55.97 55.92 1psy s LYS 7 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.88 1psy s LYS 7 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 175.35 175.74 1psy n GLY 8 N 2.75 1.68 2.09 0.59 0.00 -1.26 -4.91 105.19 106.13 1psy n GLY 8 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.12 1.61 4.07 -1.26 -5.05 120.64 120.13 1psy n GLU 9 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1psy n GLU 9 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1psy n GLU 9 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1psy n ARG 10 N -3.31 0.00 -4.10 5.31 0.00 -1.26 -5.17 116.66 108.13 1psy n ARG 10 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1psy n ARG 10 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1psy n ARG 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1psy s GLU 11 N -1.50 1.97 0.00 -0.14 2.12 -1.26 -5.06 118.70 114.83 1psy s GLU 11 Ca 0.00 -1.81 0.00 0.00 0.36 0.00 0.00 54.97 53.52 1psy s GLU 11 Cb 0.00 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.84 1psy s GLU 11 CO 0.00 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.31 1psy n GLY 12 N -0.59 4.75 0.08 -1.50 0.00 -1.26 -4.99 105.19 101.68 1psy n GLY 12 Ca 0.01 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 45.03 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 0.61 -3.50 1.61 2.88 -1.26 -4.96 113.62 109.00 1psy n SER 13 Ca 0.00 0.26 -0.11 0.00 -1.33 0.00 0.00 58.87 57.69 1psy n SER 13 Cb 0.00 0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 64.08 1psy n SER 13 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1psy s SER 14 N -5.42 -0.44 0.00 -3.46 1.04 -1.26 -4.15 113.70 100.01 1psy s SER 14 Ca -0.04 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1psy s SER 14 Cb 0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1psy s SER 14 CO 0.83 -0.63 0.00 -0.24 0.98 0.00 0.00 173.24 174.18 1psy n SER 15 N 0.08 0.00 0.01 7.02 2.88 -1.26 -4.96 113.62 117.40 1psy n SER 15 Ca -0.12 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.49 1psy n SER 15 Cb 0.61 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.00 0.65 -1.10 -1.46 -0.06 -1.26 -4.72 117.38 109.43 1psy n GLN 16 Ca 0.00 -0.04 -0.01 0.00 -2.00 0.00 0.00 57.00 54.95 1psy n GLN 16 Cb 0.00 -1.63 0.00 0.00 -4.06 0.00 0.00 30.24 24.55 1psy n GLN 16 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1psy n GLN 17 N -2.50 0.09 0.16 3.69 6.02 -1.26 -4.97 117.38 118.61 1psy n GLN 17 Ca -0.07 -0.15 0.05 0.00 -0.01 0.00 0.00 57.00 56.81 1psy n GLN 17 Cb 0.67 0.29 0.13 0.00 1.02 0.00 0.00 30.24 32.35 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 -3.26 -0.07 0.00 0.00 3.00 -1.26 0.39 116.66 115.46 1psy n ARG 19 Ca 0.02 1.39 0.00 0.00 -0.00 0.00 0.00 57.85 59.25 1psy n ARG 19 Cb 0.65 -2.23 0.00 0.00 0.00 0.00 0.00 32.46 30.89 1psy n ARG 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1psy n GLN 20 N -5.35 0.00 -0.01 -0.14 10.64 -1.25 -0.42 117.38 120.85 1psy n GLN 20 Ca 0.23 0.40 0.22 0.00 -1.83 0.00 0.00 57.00 56.03 1psy n GLN 20 Cb 0.76 -1.21 0.72 0.00 -0.86 0.00 0.00 30.24 29.65 1psy n GLN 20 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1psy h GLU 21 N 0.00 0.00 0.12 2.61 4.11 -1.40 -1.82 114.58 118.20 1psy h GLU 21 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 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 0.00 -0.06 0.28 0.07 0.00 0.00 179.01 179.30 1psy h VAL 22 N 0.00 0.94 0.00 -1.06 2.07 0.26 -2.09 116.25 116.37 1psy h VAL 22 Ca 0.28 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1psy h VAL 22 Cb 1.21 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1psy h VAL 22 CO -0.00 0.05 -0.05 0.00 0.02 0.00 0.00 177.57 177.59 1psy n GLN 23 N -5.11 1.01 0.00 1.57 -0.00 0.44 -1.92 117.38 113.37 1psy n GLN 23 Ca -0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 57.00 56.77 1psy n GLN 23 Cb 0.13 -1.22 0.00 0.00 -0.00 0.00 0.00 30.24 29.14 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 1.75 0.00 -0.02 2.61 1.74 -0.97 -4.99 116.66 116.78 1psy n ARG 24 Ca 0.06 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 1psy n ARG 24 Cb 0.49 -0.12 -0.02 0.00 -1.02 0.00 0.00 32.46 31.79 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 -2.00 0.09 -0.79 5.56 2.85 -0.83 -4.93 118.16 118.11 1psy n LYS 25 Ca 0.00 0.04 -0.31 0.00 -1.05 0.00 0.00 58.31 56.99 1psy n LYS 25 Cb 0.00 -0.65 0.15 0.00 -0.65 0.00 0.00 35.03 33.88 1psy n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1psy s ASP 26 N -5.39 3.17 0.00 -5.58 1.11 -0.81 -4.26 116.67 104.92 1psy s ASP 26 Ca -0.06 2.13 0.00 0.00 0.18 0.00 0.00 52.55 54.80 1psy s ASP 26 Cb 0.02 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1psy s ASP 26 CO 0.08 -2.94 0.00 0.18 1.18 0.00 0.00 175.17 173.67 1psy n LEU 27 N -4.12 0.00 -1.59 1.23 7.99 -1.26 -4.59 117.00 114.66 1psy n LEU 27 Ca 0.11 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.15 1psy n LEU 27 Cb 0.52 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.86 1psy n LEU 27 CO 0.50 0.00 0.06 -1.54 -1.51 0.00 0.00 177.39 174.90 1psy n SER 28 N 0.00 1.07 0.00 -1.43 3.41 -1.26 -4.61 113.62 110.79 1psy n SER 28 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1psy n SER 28 Cb 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 0.38 0.00 0.17 4.04 2.88 -1.26 -4.86 113.62 114.97 1psy n SER 29 Ca 0.06 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.46 1psy n SER 29 Cb 1.11 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.51 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 -0.59 0.13 -0.43 0.00 3.07 -1.89 -3.04 114.58 111.83 1psy h GLU 31 Ca 0.00 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1psy h GLU 31 Cb 0.56 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1psy h GLU 31 CO -0.09 0.76 0.23 -0.09 -1.40 0.00 0.00 179.01 178.42 1psy h ARG 32 N 0.09 0.60 -0.87 2.33 9.65 -1.72 -1.84 114.38 122.63 1psy h ARG 32 Ca -0.01 -0.07 0.23 0.00 -1.10 0.00 0.00 59.98 59.02 1psy h ARG 32 Cb 1.21 -0.12 -0.14 0.00 -1.39 0.00 0.00 29.97 29.54 1psy h ARG 32 CO 0.10 0.49 0.25 -0.92 2.80 0.00 0.00 179.97 182.68 1psy h TYR 33 N 0.56 0.37 -0.00 2.20 5.03 0.34 0.72 116.97 126.19 1psy h TYR 33 Ca 0.15 0.05 -0.18 0.00 2.58 0.00 0.00 58.73 61.33 1psy h TYR 33 Cb 0.06 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 1psy h TYR 33 CO -0.02 -0.18 -0.81 1.37 -1.32 0.00 0.00 178.16 177.20 1psy h LEU 34 N 0.23 0.10 0.11 2.82 8.10 -1.55 -3.22 115.31 121.90 1psy h LEU 34 Ca 0.54 -0.08 -0.01 0.00 0.11 0.00 0.00 57.88 58.45 1psy h LEU 34 Cb 1.07 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.26 1psy h LEU 34 CO -0.63 0.86 -0.05 -0.09 -4.11 0.00 0.00 178.44 174.42 1psy h ARG 35 N 0.05 -0.14 0.00 0.17 1.12 0.53 -3.46 114.38 112.65 1psy h ARG 35 Ca -0.02 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1psy h ARG 35 Cb 1.42 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.41 1psy h ARG 35 CO 0.11 0.19 0.00 0.94 -3.11 0.00 0.00 179.97 178.11 1psy n GLN 36 N -5.00 0.11 -0.03 0.20 7.27 0.21 -5.04 117.38 115.10 1psy n GLN 36 Ca -0.09 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.79 1psy n GLN 36 Cb 0.21 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.73 1psy n GLN 36 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1psy h SER 37 N -0.12 0.21 0.00 1.69 0.87 -1.87 -3.47 113.55 110.86 1psy h SER 37 Ca 0.00 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 1psy h SER 37 Cb 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1psy h SER 37 CO 0.00 1.42 0.00 -1.20 -0.53 0.00 0.00 176.83 176.52 1psy n SER 38 N -4.23 0.22 -2.70 6.23 7.64 -1.26 -4.99 113.62 114.53 1psy n SER 38 Ca -0.22 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.68 1psy n SER 38 Cb 0.74 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.95 1psy n SER 38 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1psy s SER 39 N 1.13 -0.01 -0.30 6.43 0.15 -1.26 -4.56 113.70 115.28 1psy s SER 39 Ca 0.00 -0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.54 1psy s SER 39 Cb 0.00 0.10 0.18 0.00 -1.71 0.00 0.00 66.02 64.59 1psy s SER 39 CO 0.00 -0.00 0.91 -0.60 1.20 0.00 0.00 173.24 174.74 1psy s ARG 40 N 2.09 0.32 -0.03 5.44 3.00 -1.26 -4.07 118.95 124.43 1psy s ARG 40 Ca 0.16 0.61 -0.31 0.00 -1.00 0.00 0.00 55.73 55.19 1psy s ARG 40 Cb 0.05 0.35 0.12 0.00 0.00 0.00 0.00 34.95 35.47 1psy s ARG 40 CO -0.17 -0.30 1.32 0.50 0.00 0.00 0.00 175.30 176.65 1psy s ARG 41 N 2.84 0.31 -0.22 5.12 3.00 -1.26 -5.02 118.95 123.72 1psy s ARG 41 Ca 0.05 -0.17 -0.02 0.00 -1.00 0.00 0.00 55.73 54.58 1psy s ARG 41 Cb -0.11 0.10 0.06 0.00 0.00 0.00 0.00 34.95 35.00 1psy s ARG 41 CO -0.15 -0.14 2.43 -1.13 0.00 0.00 0.00 175.30 176.31 1psy n SER 42 N -0.56 6.02 0.00 -2.12 3.41 -1.26 -4.48 113.62 114.64 1psy n SER 42 Ca -0.08 -2.85 0.08 0.00 -0.26 0.00 0.00 58.87 55.76 1psy n SER 42 Cb 0.63 -1.17 0.48 0.00 -0.26 0.00 0.00 64.21 63.89 1psy n SER 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1psy n THR 43 N 1.06 0.14 0.00 6.66 -1.04 -1.26 -4.62 114.28 115.22 1psy n THR 43 Ca 0.29 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1psy n THR 43 Cb 0.61 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 0.08 0.52 0.00 3.41 0.00 -1.26 -5.09 105.19 102.85 1psy n GLY 44 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.86 1.61 2.13 -1.26 -5.08 120.64 114.18 1psy n GLU 45 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1psy n GLU 45 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 1psy n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1psy s GLU 46 N -0.99 1.15 -0.40 5.31 2.12 -1.26 -5.03 118.70 119.59 1psy s GLU 46 Ca 0.00 -1.20 0.06 0.00 0.36 0.00 0.00 54.97 54.18 1psy s GLU 46 Cb 0.00 -2.46 0.17 0.00 0.26 0.00 0.00 34.13 32.10 1psy s GLU 46 CO 0.00 -0.85 0.52 0.08 -0.54 0.00 0.00 175.26 174.47 1psy s VAL 47 N 1.40 -0.65 0.00 3.70 1.01 -1.26 -4.73 120.40 119.87 1psy s VAL 47 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1psy s VAL 47 Cb -0.18 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1psy s VAL 47 CO -0.15 -0.31 0.00 -0.11 0.00 0.00 0.00 175.10 174.54 1psy n LEU 48 N 4.14 0.00 0.00 3.92 7.94 -1.26 -4.94 117.00 126.80 1psy n LEU 48 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1psy n LEU 48 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1psy n LEU 48 CO 0.04 0.00 0.23 -1.14 -1.11 0.00 0.00 177.39 175.41 1psy n ARG 49 N 0.00 -0.05 -2.61 1.96 0.00 -1.26 -5.02 116.66 109.69 1psy n ARG 49 Ca 0.00 -0.54 -0.25 0.00 -0.00 0.00 0.00 57.85 57.06 1psy n ARG 49 Cb 0.00 -0.84 0.02 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 -0.16 3.02 -0.37 -0.14 -1.94 -1.26 -4.97 119.30 113.48 1psy s MET 50 Ca 0.00 -0.15 -0.06 0.00 -1.71 0.00 0.00 55.69 53.78 1psy s MET 50 Cb 0.00 -2.37 -0.17 0.00 2.01 0.00 0.00 34.83 34.30 1psy s MET 50 CO 0.00 -0.52 2.81 -0.35 -0.01 0.00 0.00 175.02 176.96 1psy n PRO 51 N -2.39 1.95 -0.01 2.03 -0.04 -1.26 -3.59 135.00 131.69 1psy n PRO 51 Ca 0.03 -1.09 -0.01 0.00 -0.04 0.00 0.00 63.50 62.40 1psy n PRO 51 Cb 0.57 -2.11 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 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 2.93 -0.02 0.36 0.55 0.00 -1.26 -4.83 105.19 102.92 1psy n GLY 52 Ca 0.42 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 1psy n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1psy h ASP 53 N 0.00 -1.13 0.00 1.61 3.32 -1.96 -3.08 116.42 115.18 1psy h ASP 53 Ca -0.02 0.11 -0.54 0.00 0.02 0.00 0.00 57.03 56.59 1psy h ASP 53 Cb 1.04 0.40 0.04 0.00 0.22 0.00 0.00 39.33 41.04 1psy h ASP 53 CO -0.00 -0.43 2.26 -1.84 -1.72 0.00 0.00 179.24 177.51 1psy n GLU 54 N -4.65 1.49 -0.26 3.56 0.00 -1.26 -4.86 120.64 114.66 1psy n GLU 54 Ca -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 57.16 55.47 1psy n GLU 54 Cb 0.31 -2.72 0.00 0.00 0.00 0.00 0.00 31.44 29.03 1psy n GLU 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1psy n ASN 55 N 6.56 0.00 0.00 -1.84 6.94 -1.17 -4.83 115.26 120.92 1psy n ASN 55 Ca 0.46 -0.87 0.00 0.00 -0.02 0.00 0.00 54.58 54.14 1psy n ASN 55 Cb 0.31 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1psy n ASN 55 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1psy n GLN 56 N -0.87 0.00 -4.88 -3.83 7.27 -1.26 -4.39 117.38 109.41 1psy n GLN 56 Ca 0.00 0.95 -0.33 0.00 0.07 0.00 0.00 57.00 57.69 1psy n GLN 56 Cb 0.00 -1.45 -0.15 0.00 2.41 0.00 0.00 30.24 31.05 1psy n GLN 56 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1psy s GLN 57 N -2.80 3.31 0.13 3.69 0.74 -1.26 -5.03 119.66 118.43 1psy s GLN 57 Ca 0.00 -0.73 -0.25 0.00 0.05 0.00 0.00 55.36 54.43 1psy s GLN 57 Cb 0.00 -2.55 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 1psy s GLN 57 CO 0.00 0.21 1.63 1.96 -0.55 0.00 0.00 175.29 178.54 1psy h GLN 58 N 6.70 -0.36 -2.98 1.67 4.20 -1.89 -2.60 115.11 119.84 1psy h GLN 58 Ca -0.24 0.02 -0.60 0.00 0.06 0.00 0.00 58.65 57.90 1psy h GLN 58 Cb 1.22 0.08 0.02 0.00 0.30 0.00 0.00 27.48 29.10 1psy h GLN 58 CO 0.54 -0.24 3.39 0.39 -0.67 0.00 0.00 178.83 182.23 1psy n GLU 59 N -5.38 3.36 -2.34 1.46 -0.58 -1.26 -3.65 120.64 112.25 1psy n GLU 59 Ca -0.04 -2.01 -0.02 0.00 -0.42 0.00 0.00 57.16 54.68 1psy n GLU 59 Cb 0.30 -2.69 0.09 0.00 -0.57 0.00 0.00 31.44 28.56 1psy n GLU 59 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1psy n SER 60 N 3.58 -1.06 0.33 1.62 3.41 -0.98 -4.96 113.62 115.56 1psy n SER 60 Ca 0.72 -1.87 0.18 0.00 -0.26 0.00 0.00 58.87 57.64 1psy n SER 60 Cb 0.27 0.51 0.95 0.00 -0.26 0.00 0.00 64.21 65.67 1psy n SER 60 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1psy h GLN 61 N 0.75 0.00 0.67 4.33 3.07 -1.76 -0.83 115.11 121.35 1psy h GLN 61 Ca -0.32 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.39 1psy h GLN 61 Cb 1.21 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.78 1psy h GLN 61 CO -0.13 0.00 -0.32 1.96 0.09 0.00 0.00 178.83 180.42 1psy h GLN 62 N 0.00 -0.87 0.00 0.06 4.20 -1.94 -2.99 115.11 113.57 1psy h GLN 62 Ca 0.01 0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1psy h GLN 62 Cb 0.46 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1psy h GLN 62 CO -0.00 -0.58 -0.37 -0.07 -0.67 0.00 0.00 178.83 177.15 1psy h LEU 63 N -0.92 0.00 -1.86 1.46 4.07 -1.49 -2.49 115.31 114.08 1psy h LEU 63 Ca -0.09 0.00 0.24 0.00 0.08 0.00 0.00 57.88 58.10 1psy h LEU 63 Cb 0.70 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.39 1psy h LEU 63 CO 0.15 0.37 0.61 -0.61 -1.08 0.00 0.00 178.44 177.88 1psy h GLN 64 N 0.00 0.11 -0.10 1.13 4.15 -1.17 0.38 115.11 119.61 1psy h GLN 64 Ca -0.00 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 1psy h GLN 64 Cb 0.89 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1psy h GLN 64 CO 0.05 0.07 -0.51 1.96 -1.93 0.00 0.00 178.83 178.47 1psy h GLN 65 N 0.11 0.26 -0.02 1.69 1.08 -1.34 -0.07 115.11 116.83 1psy h GLN 65 Ca 0.42 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1psy h GLN 65 Cb 1.50 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1psy h GLN 65 CO -0.06 0.71 -0.04 0.00 -0.95 0.00 0.00 178.83 178.50 1psy h ASN 68 N -0.26 0.00 0.03 0.00 2.35 -1.06 0.25 115.58 116.88 1psy h ASN 68 Ca 0.02 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 1psy h ASN 68 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1psy h ASN 68 CO -0.06 0.00 -0.79 1.56 -1.65 0.00 0.00 177.43 176.48 1psy h GLN 69 N 0.00 0.06 0.00 0.81 1.08 0.73 -3.32 115.11 114.47 1psy h GLN 69 Ca 0.00 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1psy h GLN 69 Cb 0.11 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1psy h GLN 69 CO -0.00 1.05 0.00 0.28 -0.95 0.00 0.00 178.83 179.21 1psy n VAL 70 N -4.39 0.76 0.51 -0.54 0.31 0.19 -1.40 118.33 113.78 1psy n VAL 70 Ca -0.22 0.17 0.13 0.00 -0.01 0.00 0.00 64.34 64.41 1psy n VAL 70 Cb 0.65 -0.91 0.45 0.00 -0.91 0.00 0.00 33.84 33.12 1psy n VAL 70 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1psy n LYS 71 N -1.67 0.24 -0.29 5.55 4.81 0.83 -2.25 118.16 125.37 1psy n LYS 71 Ca 0.04 0.32 0.12 0.00 -0.87 0.00 0.00 58.31 57.91 1psy n LYS 71 Cb 0.23 -1.85 0.28 0.00 0.02 0.00 0.00 35.03 33.71 1psy n LYS 71 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1psy n GLN 72 N -2.28 2.57 -1.16 1.64 1.13 -0.49 -4.97 117.38 113.81 1psy n GLN 72 Ca 0.04 -2.41 -0.30 0.00 -1.94 0.00 0.00 57.00 52.39 1psy n GLN 72 Cb 0.34 -1.53 0.13 0.00 0.11 0.00 0.00 30.24 29.29 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 2.83 -0.02 5.09 1.01 -0.96 -4.45 120.40 122.67 1psy s VAL 73 Ca 0.44 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 1psy s VAL 73 Cb 0.24 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 1psy s VAL 73 CO 0.32 -0.35 -0.01 0.03 0.00 0.00 0.00 175.10 175.09 1psy h ARG 74 N -1.46 0.00 0.00 2.72 2.47 -1.91 -3.50 114.38 112.70 1psy h ARG 74 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1psy h ARG 74 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1psy h ARG 74 CO 0.52 0.00 0.00 -3.47 0.56 0.00 0.00 179.97 177.58 1psy n ASP 75 N -2.45 0.00 -0.67 7.04 2.03 -1.26 -4.93 116.55 116.31 1psy n ASP 75 Ca -0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1psy n ASP 75 Cb 0.01 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.45 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1psy n GLU 76 N 0.00 1.68 0.00 -0.67 0.28 -1.26 -3.78 120.64 116.88 1psy n GLU 76 Ca 0.00 -1.36 0.05 0.00 -0.16 0.00 0.00 57.16 55.69 1psy n GLU 76 Cb 0.00 -1.44 0.01 0.00 1.43 0.00 0.00 31.44 31.44 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 1.25 1.03 0.12 0.00 3.07 -1.83 0.21 115.11 118.95 1psy h GLN 78 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1psy h GLN 78 Cb 0.33 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1psy h GLN 78 CO 0.00 0.83 -0.06 0.00 0.09 0.00 0.00 178.83 179.69 1psy h GLU 80 N -0.63 0.00 -0.75 0.00 4.57 -1.72 0.43 114.58 116.49 1psy h GLU 80 Ca -0.02 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1psy h GLU 80 Cb 0.12 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.64 1psy h GLU 80 CO 0.03 0.00 0.39 0.00 -1.18 0.00 0.00 179.01 178.24 1psy h ALA 81 N 1.46 1.06 -0.23 2.92 0.00 -0.58 0.11 119.26 123.99 1psy h ALA 81 Ca 0.40 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.20 1psy h ALA 81 Cb 1.73 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1psy h ALA 81 CO -0.00 -0.03 -0.51 0.82 0.00 0.00 0.00 179.25 179.53 1psy h ILE 82 N 0.64 1.30 0.00 0.00 1.08 -0.15 0.12 117.51 120.50 1psy h ILE 82 Ca 0.38 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1psy h ILE 82 Cb 0.41 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.94 1psy h ILE 82 CO -0.28 0.55 0.00 0.29 -0.69 0.00 0.00 178.15 178.02 1psy n LYS 83 N -4.10 0.38 -0.00 2.37 4.01 -0.60 -0.99 118.16 119.22 1psy n LYS 83 Ca -0.05 0.03 -0.02 0.00 -0.51 0.00 0.00 58.31 57.75 1psy n LYS 83 Cb 0.60 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.62 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 -1.05 0.00 -0.29 2.13 4.19 0.28 -3.88 117.16 118.54 1psy n TYR 84 Ca 0.09 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.29 1psy n TYR 84 Cb 0.06 -0.10 0.16 0.00 0.49 0.00 0.00 39.34 39.94 1psy n TYR 84 CO 0.00 0.00 0.00 0.97 0.91 0.00 0.00 176.86 178.74 1psy h ILE 85 N -0.21 1.23 0.03 2.97 2.10 -0.77 0.65 117.51 123.51 1psy h ILE 85 Ca 0.00 -0.51 -0.00 0.00 1.08 0.00 0.00 64.86 65.43 1psy h ILE 85 Cb 0.21 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 35.97 1psy h ILE 85 CO 0.00 0.25 -0.01 0.00 -1.08 0.00 0.00 178.15 177.30 1psy h ALA 86 N 1.39 -0.45 -0.26 0.18 0.00 -1.27 -3.00 119.26 115.85 1psy h ALA 86 Ca 0.31 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1psy h ALA 86 Cb -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1psy h ALA 86 CO -0.06 -0.45 0.53 1.49 0.00 0.00 0.00 179.25 180.76 1psy h GLU 87 N -0.07 0.00 0.00 0.00 4.81 -1.60 0.23 114.58 117.95 1psy h GLU 87 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1psy h GLU 87 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1psy h GLU 87 CO 0.01 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.82 1psy n ASP 88 N -3.21 0.00 0.02 1.04 2.03 0.23 -1.41 116.55 115.25 1psy n ASP 88 Ca 0.04 0.37 0.07 0.00 0.52 0.00 0.00 54.79 55.79 1psy n ASP 88 Cb 0.65 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.53 1psy n ASP 88 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1psy h GLN 89 N 0.00 0.42 -0.49 -0.67 3.07 -1.34 -0.28 115.11 115.82 1psy h GLN 89 Ca 0.00 -0.03 0.09 0.00 0.09 0.00 0.00 58.65 58.80 1psy h GLN 89 Cb 0.00 -0.10 -0.08 0.00 0.08 0.00 0.00 27.48 27.39 1psy h GLN 89 CO 0.00 0.28 0.04 0.82 0.09 0.00 0.00 178.83 180.06 1psy h ILE 90 N 0.43 0.66 0.21 1.86 2.04 -0.61 0.57 117.51 122.68 1psy h ILE 90 Ca 0.16 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1psy h ILE 90 Cb 0.10 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1psy h ILE 90 CO -0.04 0.03 -0.10 1.56 0.00 0.00 0.00 178.15 179.60 1psy h GLN 91 N 0.16 -0.27 0.02 2.37 1.08 0.10 -2.72 115.11 115.85 1psy h GLN 91 Ca 0.25 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.49 1psy h GLN 91 Cb 0.36 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 1psy h GLN 91 CO -0.37 0.11 -0.38 0.37 -0.95 0.00 0.00 178.83 177.61 1psy h GLN 92 N -0.81 -0.53 0.00 1.46 5.75 -0.90 -3.42 115.11 116.66 1psy h GLN 92 Ca -0.03 0.04 -0.34 0.00 -0.15 0.00 0.00 58.65 58.16 1psy h GLN 92 Cb 0.51 0.12 0.19 0.00 1.07 0.00 0.00 27.48 29.37 1psy h GLN 92 CO 0.05 -0.35 -0.05 0.41 -2.65 0.00 0.00 178.83 176.24 1psy n GLY 93 N -1.44 -3.44 1.43 2.39 0.00 0.20 -4.89 105.19 99.44 1psy n GLY 93 Ca -0.06 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.53 1psy n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1psy n GLN 94 N -5.09 1.33 0.00 1.61 6.02 -1.26 -3.89 117.38 116.10 1psy n GLN 94 Ca 0.13 -0.73 0.13 0.00 -0.01 0.00 0.00 57.00 56.52 1psy n GLN 94 Cb 0.54 -1.29 0.34 0.00 1.02 0.00 0.00 30.24 30.86 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 0.39 1.74 -4.95 1.08 7.99 -1.11 -4.74 117.00 117.40 1psy n LEU 95 Ca 0.14 -0.57 -0.28 0.00 -0.01 0.00 0.00 56.01 55.29 1psy n LEU 95 Cb 0.69 -0.03 0.18 0.00 -0.11 0.00 0.00 43.42 44.15 1psy n LEU 95 CO 0.16 0.30 0.81 -1.38 -1.51 0.00 0.00 177.39 175.77 1psy s HIS 96 N -2.19 1.39 0.00 -1.77 -3.43 -1.04 0.29 115.29 108.54 1psy s HIS 96 Ca 0.30 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 1psy s HIS 96 Cb 0.20 -3.91 0.00 0.00 -1.43 0.00 0.00 32.58 27.44 1psy s HIS 96 CO 0.40 -2.54 0.00 0.41 -2.00 0.00 0.00 174.74 171.01 1psy n GLY 97 N -3.60 2.04 1.71 -1.38 0.00 -1.26 -3.67 105.19 99.03 1psy n GLY 97 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.18 0.00 1.61 2.13 -1.26 -4.98 120.64 118.32 1psy n GLU 98 Ca 0.00 -0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1psy n GLU 98 Cb 0.00 0.05 0.00 0.00 0.27 0.00 0.00 31.44 31.76 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 -0.22 0.42 0.04 5.31 0.28 -1.23 -4.80 120.64 120.45 1psy n GLU 99 Ca -0.04 -0.64 -0.15 0.00 -0.16 0.00 0.00 57.16 56.17 1psy n GLU 99 Cb 0.55 -0.57 -0.05 0.00 1.43 0.00 0.00 31.44 32.80 1psy n GLU 99 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1psy h SER 100 N 0.00 0.69 0.28 -1.84 4.64 -0.43 -2.80 113.55 114.09 1psy h SER 100 Ca 0.00 -0.52 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 1psy h SER 100 Cb 0.93 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1psy h SER 100 CO 0.00 1.31 -0.08 -0.08 -0.87 0.00 0.00 176.83 177.11 1psy h GLU 101 N 0.33 0.00 0.00 4.77 4.81 -1.87 0.17 114.58 122.80 1psy h GLU 101 Ca -0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1psy h GLU 101 Cb 1.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1psy h GLU 101 CO 0.17 0.08 -0.27 0.00 -0.73 0.00 0.00 179.01 178.26 1psy h ARG 102 N 0.00 0.00 0.01 1.92 3.08 -1.84 -2.70 114.38 114.85 1psy h ARG 102 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 1psy h ARG 102 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1psy h ARG 102 CO 0.01 0.27 -1.26 0.28 -1.07 0.00 0.00 179.97 178.21 1psy h VAL 103 N 0.00 1.41 -0.60 2.04 2.07 -0.70 -3.31 116.25 117.16 1psy h VAL 103 Ca -0.00 -3.16 0.13 0.00 0.82 0.00 0.00 66.70 64.49 1psy h VAL 103 Cb 0.80 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 1psy h VAL 103 CO 0.04 0.81 0.41 0.00 0.02 0.00 0.00 177.57 178.85 1psy h ALA 104 N 0.97 2.22 0.00 1.67 0.00 -1.07 0.45 119.26 123.51 1psy h ALA 104 Ca -0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1psy h ALA 104 Cb 1.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1psy h ALA 104 CO 0.12 -0.38 -0.32 -0.56 0.00 0.00 0.00 179.25 178.10 1psy h GLN 105 N 0.25 0.00 0.00 0.00 -0.00 -1.63 0.52 115.11 114.25 1psy h GLN 105 Ca 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.94 1psy h GLN 105 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.27 1psy h GLN 105 CO -0.06 0.32 -0.00 0.00 -0.00 0.00 0.00 178.83 179.09 1psy h ARG 106 N 0.00 0.00 -0.51 0.06 -0.00 -0.34 -3.29 114.38 110.29 1psy h ARG 106 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.98 59.43 1psy h ARG 106 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.75 1psy h ARG 106 CO 0.04 0.48 0.13 0.00 0.00 0.00 0.00 179.97 180.63 1psy h ALA 107 N -0.52 0.67 -1.25 0.04 0.00 -1.02 -1.99 119.26 115.19 1psy h ALA 107 Ca -0.00 -0.21 0.37 0.00 0.00 0.00 0.00 54.91 55.08 1psy h ALA 107 Cb 0.48 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 1psy h ALA 107 CO -0.00 0.36 0.83 0.78 0.00 0.00 0.00 179.25 181.22 1psy h GLY 108 N 0.71 1.00 0.42 0.00 0.00 -1.05 0.14 103.07 104.29 1psy h GLY 108 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1psy h GLY 108 CO 0.00 -0.23 -0.27 0.83 0.00 0.00 0.00 176.54 176.88 1psy h GLU 109 N 0.17 -0.40 0.00 4.80 5.08 -1.43 0.17 114.58 122.98 1psy h GLU 109 Ca 0.72 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.97 1psy h GLU 109 Cb 2.25 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.57 1psy h GLU 109 CO -0.29 -0.27 -0.63 0.82 -1.00 0.00 0.00 179.01 177.64 1psy h ILE 110 N -0.42 1.40 0.21 3.13 1.08 -0.91 -2.75 117.51 119.25 1psy h ILE 110 Ca 0.06 -2.21 0.00 0.00 -0.39 0.00 0.00 64.86 62.32 1psy h ILE 110 Cb 0.49 2.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1psy h ILE 110 CO -0.22 0.62 -0.19 0.58 -0.69 0.00 0.00 178.15 178.25 1psy h VAL 111 N 0.00 0.59 -0.26 1.67 2.07 -0.32 0.23 116.25 120.22 1psy h VAL 111 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1psy h VAL 111 Cb 1.16 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1psy h VAL 111 CO 0.08 0.00 0.20 0.77 0.02 0.00 0.00 177.57 178.64 1psy h SER 112 N -0.42 0.00 0.00 0.57 4.64 -0.51 0.51 113.55 118.34 1psy h SER 112 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1psy h SER 112 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1psy h SER 112 CO -0.03 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.69 1psy n SER 113 N -4.31 0.00 -2.73 4.97 2.88 -0.40 -4.80 113.62 109.22 1psy n SER 113 Ca 0.03 0.40 -0.02 0.00 -1.33 0.00 0.00 58.87 57.95 1psy n SER 113 Cb 0.36 -0.19 0.09 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.97 2.11 3.55 0.00 0.00 -0.09 -4.12 105.19 105.68 1psy n GLY 115 Ca -0.05 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.99 3.39 0.00 1.61 0.11 -0.02 -4.35 120.40 120.15 1psy s VAL 116 Ca 0.22 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1psy s VAL 116 Cb 0.22 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 1psy s VAL 116 CO -0.06 -0.99 0.00 0.54 -3.33 0.00 0.00 175.10 171.26 1psy n ARG 117 N 9.20 0.00 0.00 1.54 3.00 -1.25 -4.71 116.66 124.44 1psy n ARG 117 Ca 0.19 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.15 1psy n ARG 117 Cb 0.52 0.00 0.08 0.00 0.00 0.00 0.00 32.46 33.06 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 1.14 2.25 0.00 0.00 0.00 -1.26 -4.81 117.12 114.44 1psy n MET 119 Ca 0.13 -1.87 0.00 0.00 0.00 0.00 0.00 57.70 55.96 1psy n MET 119 Cb 0.56 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.30 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 1.12 0.00 -0.20 2.12 0.63 -1.26 -4.85 116.66 114.22 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 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 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 -2.22 0.65 0.00 -0.14 1.13 -1.13 -4.98 117.38 110.69 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1psy n GLN 121 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1psy n THR 122 N -1.23 0.00 -0.29 5.09 -2.24 -1.22 -4.17 114.28 110.22 1psy n THR 122 Ca 0.00 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.98 1psy n THR 122 Cb 0.00 -0.49 0.48 0.00 -2.10 0.00 0.00 70.33 68.22 1psy n THR 122 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1psy h ARG 123 N 0.00 0.44 -5.82 -0.78 2.43 -1.92 -3.39 114.38 105.34 1psy h ARG 123 Ca 0.00 -0.03 -0.52 0.00 -0.81 0.00 0.00 59.98 58.63 1psy h ARG 123 Cb 0.00 -0.10 -0.24 0.00 -0.42 0.00 0.00 29.97 29.21 1psy h ARG 123 CO 0.00 0.29 -0.82 -0.08 -1.51 0.00 0.00 179.97 177.86 1psy s THR 124 N -5.51 1.47 0.00 0.20 -1.32 -1.26 -4.31 115.64 104.91 1psy s THR 124 Ca -0.09 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 1psy s THR 124 Cb 0.24 -1.32 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1psy s THR 124 CO 0.79 0.02 0.00 -3.20 -2.21 0.00 0.00 174.62 170.02