#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 -0.55 0.00 2.13 -1.26 -5.19 120.64 115.78 1psy n GLU 2 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1psy n GLU 2 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1psy n GLU 2 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1psy n PHE 3 N -1.50 -0.06 -3.60 4.31 -1.74 -1.26 -5.19 117.46 108.42 1psy n PHE 3 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.90 1psy n PHE 3 Cb 0.00 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 40.99 1psy n PHE 3 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 1psy s MET 4 N 0.09 0.16 0.36 3.97 -1.94 -1.26 -5.19 119.30 115.49 1psy s MET 4 Ca 0.00 -0.08 -0.08 0.00 -1.71 0.00 0.00 55.69 53.82 1psy s MET 4 Cb 0.00 0.06 0.02 0.00 2.01 0.00 0.00 34.83 36.92 1psy s MET 4 CO 0.00 -0.07 0.60 -1.83 -0.01 0.00 0.00 175.02 173.70 1psy s GLU 5 N -2.19 2.03 0.00 2.03 -1.05 -1.26 -5.18 118.70 113.08 1psy s GLU 5 Ca 0.13 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.34 1psy s GLU 5 Cb 0.04 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1psy s GLU 5 CO -0.05 -0.89 0.00 -1.13 0.95 0.00 0.00 175.26 174.14 1psy n SER 6 N -1.38 0.00 -3.59 0.83 3.41 -1.26 -5.19 113.62 106.43 1psy n SER 6 Ca -0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.42 1psy n SER 6 Cb 0.61 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 1psy n SER 6 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1psy s LYS 7 N -1.79 1.63 0.00 4.33 0.00 -1.26 -5.16 119.74 117.49 1psy s LYS 7 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 55.97 54.15 1psy s LYS 7 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 37.83 38.17 1psy s LYS 7 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.35 175.15 1psy n GLY 8 N -0.50 2.79 3.61 0.59 0.00 -1.26 -5.18 105.19 105.23 1psy n GLY 8 Ca 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 2.39 0.52 0.72 1.61 2.56 -1.26 -5.17 118.70 120.08 1psy s GLU 9 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 54.97 55.23 1psy s GLU 9 Cb 0.00 0.25 0.05 0.00 2.00 0.00 0.00 34.13 36.43 1psy s GLU 9 CO 0.00 -0.12 1.07 0.50 -0.56 0.00 0.00 175.26 176.16 1psy s ARG 10 N -0.42 2.38 0.27 4.30 3.52 -1.26 -5.11 118.95 122.64 1psy s ARG 10 Ca 0.01 0.08 -0.00 0.00 -0.13 0.00 0.00 55.73 55.68 1psy s ARG 10 Cb -0.03 -2.08 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1psy s ARG 10 CO -0.03 -1.23 0.36 -1.91 -0.81 0.00 0.00 175.30 171.68 1psy n GLU 11 N -3.02 0.51 0.00 5.12 2.13 -1.26 -5.16 120.64 118.96 1psy n GLU 11 Ca 0.07 -2.24 0.00 0.00 0.66 0.00 0.00 57.16 55.65 1psy n GLU 11 Cb 0.59 2.10 0.00 0.00 0.27 0.00 0.00 31.44 34.41 1psy n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1psy n GLY 12 N -0.46 2.64 0.00 8.31 0.00 -1.26 -5.09 105.19 109.34 1psy n GLY 12 Ca 0.01 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 0.00 -1.31 1.61 7.64 -1.26 -5.14 113.62 115.16 1psy n SER 13 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1psy n SER 13 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.26 -3.02 6.43 3.41 -1.26 -5.10 113.62 113.82 1psy n SER 14 Ca 0.00 -1.15 -0.02 0.00 -0.26 0.00 0.00 58.87 57.45 1psy n SER 14 Cb 0.00 0.42 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1psy n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1psy n SER 15 N -0.76 -1.74 -0.36 4.04 2.88 -1.26 -4.81 113.62 111.62 1psy n SER 15 Ca -0.00 -0.04 -0.10 0.00 -1.33 0.00 0.00 58.87 57.39 1psy n SER 15 Cb 0.08 -0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.00 -0.01 0.00 -1.46 4.15 -2.02 -3.40 115.11 112.36 1psy h GLN 16 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1psy h GLN 16 Cb 0.07 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1psy h GLN 16 CO 0.01 -0.01 -0.01 0.94 -1.93 0.00 0.00 178.83 177.83 1psy n GLN 17 N -4.97 0.12 0.09 1.69 7.27 -1.26 -4.99 117.38 115.32 1psy n GLN 17 Ca 0.02 -0.13 -0.04 0.00 0.07 0.00 0.00 57.00 56.92 1psy n GLN 17 Cb 0.23 0.04 -0.05 0.00 2.41 0.00 0.00 30.24 32.87 1psy n GLN 17 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1psy h ARG 19 N 0.00 0.01 0.00 0.00 2.43 -1.92 0.86 114.38 115.75 1psy h ARG 19 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1psy h ARG 19 Cb 1.60 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 1psy h ARG 19 CO 0.11 0.00 0.00 0.94 -1.51 0.00 0.00 179.97 179.51 1psy n GLN 20 N -4.16 0.00 0.34 0.20 7.27 -1.22 -2.05 117.38 117.76 1psy n GLN 20 Ca 0.43 0.18 0.23 0.00 0.07 0.00 0.00 57.00 57.90 1psy n GLN 20 Cb 1.86 -1.06 1.21 0.00 2.41 0.00 0.00 30.24 34.66 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 0.00 -0.27 3.69 4.11 -1.35 -1.92 114.58 118.83 1psy h GLU 21 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1psy h GLU 21 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1psy h GLU 21 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 179.01 179.36 1psy h VAL 22 N 0.00 1.25 0.00 -1.06 2.07 0.63 -2.68 116.25 116.47 1psy h VAL 22 Ca 0.00 -0.91 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1psy h VAL 22 Cb 0.03 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1psy h VAL 22 CO -0.00 0.29 -0.19 0.00 0.02 0.00 0.00 177.57 177.69 1psy n GLN 23 N -4.61 1.48 0.00 1.57 -0.00 -0.72 -2.07 117.38 113.03 1psy n GLN 23 Ca -0.03 -0.49 0.00 0.00 -0.00 0.00 0.00 57.00 56.48 1psy n GLN 23 Cb 0.25 -1.49 0.00 0.00 -0.00 0.00 0.00 30.24 29.00 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 1.99 0.00 -0.02 2.61 1.74 -1.13 -5.00 116.66 116.85 1psy n ARG 24 Ca 0.21 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.23 1psy n ARG 24 Cb 0.70 -0.08 -0.02 0.00 -1.02 0.00 0.00 32.46 32.04 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 -1.98 0.15 -0.79 5.56 2.85 -1.02 -4.89 118.16 118.03 1psy n LYS 25 Ca 0.00 0.06 -0.32 0.00 -1.05 0.00 0.00 58.31 57.00 1psy n LYS 25 Cb 0.00 -0.76 0.14 0.00 -0.65 0.00 0.00 35.03 33.76 1psy n LYS 25 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1psy n ASP 26 N -3.51 -0.46 0.00 -5.58 9.92 -0.88 -3.96 116.55 112.08 1psy n ASP 26 Ca -0.10 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 1psy n ASP 26 Cb 0.41 -1.38 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 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 -2.97 0.00 -2.26 0.64 7.99 -1.26 -4.64 117.00 114.49 1psy n LEU 27 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.07 1psy n LEU 27 Cb 0.52 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.88 1psy n LEU 27 CO 0.49 0.00 0.06 -0.24 -1.51 0.00 0.00 177.39 176.20 1psy n SER 28 N 0.00 2.05 0.00 -1.43 2.88 -1.25 -4.72 113.62 111.15 1psy n SER 28 Ca 0.00 -2.45 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 1psy n SER 28 Cb 0.00 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 -0.42 0.00 0.10 -3.46 2.88 -1.26 -4.87 113.62 106.58 1psy n SER 29 Ca 0.14 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1psy n SER 29 Cb 0.90 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.30 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 -0.51 0.20 -0.72 0.00 3.07 -1.91 -2.92 114.58 111.79 1psy h GLU 31 Ca 0.04 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1psy h GLU 31 Cb 0.56 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 1psy h GLU 31 CO -0.21 0.79 0.31 -0.09 -1.40 0.00 0.00 179.01 178.41 1psy h ARG 32 N 0.14 1.04 -0.72 2.33 9.65 -1.68 -1.94 114.38 123.19 1psy h ARG 32 Ca -0.01 -0.16 0.12 0.00 -1.10 0.00 0.00 59.98 58.82 1psy h ARG 32 Cb 1.20 -0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.52 1psy h ARG 32 CO 0.10 0.83 0.32 -0.92 2.80 0.00 0.00 179.97 183.10 1psy h TYR 33 N 1.03 0.56 0.00 2.20 3.20 0.80 0.34 116.97 125.09 1psy h TYR 33 Ca 0.24 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.04 1psy h TYR 33 Cb 0.16 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1psy h TYR 33 CO 0.01 0.14 -0.49 1.37 -1.64 0.00 0.00 178.16 177.55 1psy h LEU 34 N 0.51 0.00 -0.34 2.82 8.10 -1.53 -3.08 115.31 121.79 1psy h LEU 34 Ca 0.38 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.26 1psy h LEU 34 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 1psy h LEU 34 CO -0.34 0.49 -0.20 -0.09 -4.11 0.00 0.00 178.44 174.20 1psy h ARG 35 N 0.00 0.73 0.00 0.17 1.12 0.15 -3.45 114.38 113.10 1psy h ARG 35 Ca -0.00 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.53 1psy h ARG 35 Cb 1.11 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 1psy h ARG 35 CO 0.06 0.94 0.00 0.94 -3.11 0.00 0.00 179.97 178.81 1psy n GLN 36 N -4.30 0.72 0.00 0.20 7.27 0.87 -5.06 117.38 117.07 1psy n GLN 36 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1psy n GLN 36 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 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 -0.90 0.00 -3.67 1.69 2.88 -1.26 -4.97 113.62 107.39 1psy n SER 37 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1psy n SER 37 Cb 0.00 0.09 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 1psy n SER 37 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1psy s SER 38 N -2.13 -0.50 0.00 -3.46 0.01 -1.26 -5.15 113.70 101.21 1psy s SER 38 Ca 0.00 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1psy s SER 38 Cb 0.00 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.41 1psy s SER 38 CO 0.00 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.19 1psy n SER 39 N 4.82 0.00 -3.67 2.44 2.88 -1.26 -5.17 113.62 113.65 1psy n SER 39 Ca -0.16 -0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 56.95 1psy n SER 39 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.04 0.43 0.59 -1.46 3.52 -1.26 -5.15 118.95 115.59 1psy s ARG 40 Ca 0.00 0.99 -0.18 0.00 -0.13 0.00 0.00 55.73 56.41 1psy s ARG 40 Cb 0.00 0.19 -0.10 0.00 -1.56 0.00 0.00 34.95 33.48 1psy s ARG 40 CO 0.00 -0.19 0.29 2.89 -0.81 0.00 0.00 175.30 177.47 1psy n ARG 41 N 4.75 0.31 -0.77 5.12 0.00 -1.26 -4.92 116.66 119.89 1psy n ARG 41 Ca -0.17 0.13 -0.02 0.00 -0.00 0.00 0.00 57.85 57.78 1psy n ARG 41 Cb 0.53 -1.49 -0.02 0.00 -0.00 0.00 0.00 32.46 31.47 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 1.06 -0.29 -3.60 2.89 2.88 -1.26 -5.11 113.62 110.18 1psy n SER 42 Ca 0.10 -1.55 -0.13 0.00 -1.33 0.00 0.00 58.87 55.95 1psy n SER 42 Cb 0.48 0.07 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 1psy n SER 42 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1psy s THR 43 N 0.00 0.00 0.00 2.46 -1.32 -1.26 -5.13 115.64 110.39 1psy s THR 43 Ca 0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1psy s THR 43 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1psy s THR 43 CO -0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1psy n GLY 44 N 2.01 0.64 0.00 6.08 0.00 -1.26 -4.87 105.19 107.79 1psy n GLY 44 Ca -0.14 -1.17 0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 2.52 0.45 -3.10 1.61 4.71 -1.26 -3.93 120.64 121.63 1psy n GLU 45 Ca 0.00 0.05 -0.37 0.00 -0.01 0.00 0.00 57.16 56.83 1psy n GLU 45 Cb 0.00 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 28.91 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1psy n GLU 46 N -1.21 3.88 -3.14 3.49 2.13 -1.26 -4.76 120.64 119.76 1psy n GLU 46 Ca 0.13 -4.63 -0.17 0.00 0.66 0.00 0.00 57.16 53.15 1psy n GLU 46 Cb 0.16 -2.41 -0.02 0.00 0.27 0.00 0.00 31.44 29.45 1psy n GLU 46 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1psy n VAL 47 N 0.94 -0.17 -2.56 6.31 0.31 -1.25 -4.94 118.33 116.97 1psy n VAL 47 Ca 0.29 -4.22 -0.27 0.00 -0.01 0.00 0.00 64.34 60.13 1psy n VAL 47 Cb 0.35 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 33.16 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 0.33 4.69 -4.14 7.52 -0.00 -1.26 -5.03 117.00 119.11 1psy n LEU 48 Ca 0.23 -5.31 -0.09 0.00 -0.00 0.00 0.00 56.01 50.84 1psy n LEU 48 Cb 0.66 -0.48 -0.10 0.00 -0.00 0.00 0.00 43.42 43.50 1psy n LEU 48 CO 0.19 2.26 -0.36 -0.60 -0.00 0.00 0.00 177.39 178.88 1psy s ARG 49 N -3.53 0.79 0.28 1.47 6.06 -1.26 -5.17 118.95 117.60 1psy s ARG 49 Ca 0.48 -1.33 0.04 0.00 -2.50 0.00 0.00 55.73 52.42 1psy s ARG 49 Cb 0.38 0.02 -0.03 0.00 0.06 0.00 0.00 34.95 35.37 1psy s ARG 49 CO -0.18 -0.10 0.43 -1.64 -2.50 0.00 0.00 175.30 171.31 1psy s MET 50 N -3.91 3.42 0.14 5.12 -1.94 -1.26 -4.74 119.30 116.12 1psy s MET 50 Ca 0.13 -0.65 -0.30 0.00 -1.71 0.00 0.00 55.69 53.16 1psy s MET 50 Cb 0.07 -2.81 -0.07 0.00 2.01 0.00 0.00 34.83 34.02 1psy s MET 50 CO -0.05 0.30 1.25 -1.25 -0.01 0.00 0.00 175.02 175.27 1psy s PRO 51 N -4.11 4.43 0.00 2.03 0.04 -1.26 -3.46 135.00 132.67 1psy s PRO 51 Ca 0.37 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1psy s PRO 51 Cb -0.09 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1psy s PRO 51 CO 0.31 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1psy n GLY 52 N 2.75 0.25 0.31 0.56 0.00 -0.81 -4.90 105.19 103.35 1psy n GLY 52 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1psy n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1psy n ASP 53 N -0.72 0.00 -4.33 1.61 8.00 -1.20 -5.00 116.55 114.91 1psy n ASP 53 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1psy n ASP 53 Cb 0.00 0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.04 1psy n ASP 53 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1psy s GLU 54 N -0.24 3.36 -1.14 -1.24 2.02 -1.26 -4.53 118.70 115.67 1psy s GLU 54 Ca 0.00 -0.65 -0.09 0.00 0.02 0.00 0.00 54.97 54.25 1psy s GLU 54 Cb 0.00 -3.11 -0.07 0.00 0.10 0.00 0.00 34.13 31.05 1psy s GLU 54 CO 0.00 -0.24 2.34 -1.71 0.02 0.00 0.00 175.26 175.67 1psy n ASN 55 N 4.82 5.69 0.00 -0.19 5.15 -1.26 -4.13 115.26 125.35 1psy n ASN 55 Ca -0.17 -2.46 0.00 0.00 -0.60 0.00 0.00 54.58 51.34 1psy n ASN 55 Cb 0.50 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1psy n ASN 55 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1psy n GLN 56 N 4.46 0.00 0.00 1.20 7.27 -1.26 -4.79 117.38 124.25 1psy n GLN 56 Ca 0.55 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.67 1psy n GLN 56 Cb 0.21 -0.11 -0.02 0.00 2.41 0.00 0.00 30.24 32.73 1psy n GLN 56 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1psy n GLN 57 N -1.76 2.83 0.00 3.69 0.00 -1.26 -5.02 117.38 115.87 1psy n GLN 57 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.00 56.62 1psy n GLN 57 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 30.24 29.24 1psy n GLN 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1psy n GLN 58 N -0.60 3.91 -4.18 3.69 7.27 -1.26 -5.14 117.38 121.08 1psy n GLN 58 Ca 0.03 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.74 1psy n GLN 58 Cb 0.17 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.74 1psy n GLN 58 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1psy s GLU 59 N 1.58 3.23 -0.43 3.69 -1.05 -1.26 -4.73 118.70 119.72 1psy s GLU 59 Ca 0.00 -0.31 0.02 0.00 -0.15 0.00 0.00 54.97 54.53 1psy s GLU 59 Cb 0.00 -2.96 0.23 0.00 -0.44 0.00 0.00 34.13 30.96 1psy s GLU 59 CO 0.00 0.69 0.97 0.45 0.95 0.00 0.00 175.26 178.31 1psy n SER 60 N 2.22 -2.43 0.21 0.83 2.88 -1.22 -1.93 113.62 114.18 1psy n SER 60 Ca -0.19 -2.44 0.17 0.00 -1.33 0.00 0.00 58.87 55.08 1psy n SER 60 Cb 0.54 1.37 0.68 0.00 -0.75 0.00 0.00 64.21 66.05 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 4.10 0.00 0.04 -1.46 3.07 -1.85 0.78 115.11 119.78 1psy h GLN 61 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 1psy h GLN 61 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 1psy h GLN 61 CO 0.05 0.00 -0.02 1.96 0.09 0.00 0.00 178.83 180.91 1psy h GLN 62 N 0.00 -0.05 -0.09 0.06 1.08 -1.92 -3.15 115.11 111.04 1psy h GLN 62 Ca 0.11 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.22 1psy h GLN 62 Cb 1.12 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 1psy h GLN 62 CO -0.00 -0.04 -0.37 -0.07 -0.95 0.00 0.00 178.83 177.41 1psy h LEU 63 N -0.09 0.19 -1.94 1.46 4.07 -1.65 -2.31 115.31 115.04 1psy h LEU 63 Ca -0.01 -0.07 0.20 0.00 0.08 0.00 0.00 57.88 58.09 1psy h LEU 63 Cb 0.04 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1psy h LEU 63 CO 0.01 0.55 0.59 -0.61 -1.08 0.00 0.00 178.44 177.90 1psy h GLN 64 N 0.16 0.00 -0.05 1.13 4.15 0.43 0.77 115.11 121.71 1psy h GLN 64 Ca 0.02 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 1psy h GLN 64 Cb 0.73 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1psy h GLN 64 CO 0.05 0.00 -0.62 1.96 -1.93 0.00 0.00 178.83 178.30 1psy h GLN 65 N 0.00 0.17 -0.00 1.69 4.20 -1.36 0.14 115.11 119.95 1psy h GLN 65 Ca 0.33 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1psy h GLN 65 Cb 1.52 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.32 1psy h GLN 65 CO -0.00 0.74 -0.00 0.00 -0.67 0.00 0.00 178.83 178.89 1psy h ASN 68 N 0.72 0.00 0.07 0.00 -1.24 -0.77 -0.89 115.58 113.47 1psy h ASN 68 Ca 0.19 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.07 1psy h ASN 68 Cb -0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1psy h ASN 68 CO -0.04 0.21 -0.57 1.56 -1.29 0.00 0.00 177.43 177.31 1psy h GLN 69 N 0.00 0.26 0.00 6.67 1.08 0.10 -3.17 115.11 120.05 1psy h GLN 69 Ca -0.00 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1psy h GLN 69 Cb 0.59 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1psy h GLN 69 CO 0.03 1.13 0.00 0.28 -0.95 0.00 0.00 178.83 179.32 1psy n VAL 70 N -4.27 0.64 0.39 -0.54 0.31 0.20 -1.80 118.33 113.25 1psy n VAL 70 Ca -0.12 0.16 0.14 0.00 -0.01 0.00 0.00 64.34 64.51 1psy n VAL 70 Cb 0.70 -0.83 0.44 0.00 -0.91 0.00 0.00 33.84 33.24 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 -0.42 5.55 1.63 -1.13 -2.52 116.57 119.68 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 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1psy h LYS 71 CO 0.00 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.04 1psy n GLN 72 N -2.65 2.50 -1.37 1.90 6.02 -0.75 -4.97 117.38 118.07 1psy n GLN 72 Ca 0.03 -2.28 -0.30 0.00 -0.01 0.00 0.00 57.00 54.44 1psy n GLN 72 Cb 0.37 -1.52 0.11 0.00 1.02 0.00 0.00 30.24 30.23 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1psy s VAL 73 N -1.46 2.85 0.00 5.09 0.11 -0.95 -4.53 120.40 121.52 1psy s VAL 73 Ca 0.40 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1psy s VAL 73 Cb 0.23 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.19 1psy s VAL 73 CO 0.32 -0.36 0.37 0.54 -3.33 0.00 0.00 175.10 172.64 1psy n ARG 74 N -3.66 0.00 0.00 1.54 5.12 -1.26 -5.00 116.66 113.39 1psy n ARG 74 Ca 0.07 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1psy n ARG 74 Cb 0.56 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 1psy n ARG 74 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1psy n ASP 75 N -1.75 0.00 0.00 0.55 9.92 -1.26 -4.93 116.55 119.08 1psy n ASP 75 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1psy n ASP 75 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1psy n GLU 76 N 0.00 0.06 -0.63 -1.24 0.28 -1.26 -3.72 120.64 114.13 1psy n GLU 76 Ca 0.00 -0.36 0.05 0.00 -0.16 0.00 0.00 57.16 56.70 1psy n GLU 76 Cb 0.00 -0.84 0.29 0.00 1.43 0.00 0.00 31.44 32.32 1psy n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1psy n GLN 78 N 0.52 0.00 -0.08 0.00 1.13 -1.26 -1.89 117.38 115.81 1psy n GLN 78 Ca 0.20 0.03 -0.13 0.00 -1.94 0.00 0.00 57.00 55.17 1psy n GLN 78 Cb 0.90 -0.92 -0.08 0.00 0.11 0.00 0.00 30.24 30.26 1psy n GLN 78 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1psy n GLU 80 N -5.42 -0.03 0.24 0.00 4.07 -1.25 0.12 120.64 118.37 1psy n GLU 80 Ca -0.03 1.15 -0.14 0.00 -0.06 0.00 0.00 57.16 58.08 1psy n GLU 80 Cb 0.36 -2.27 -0.07 0.00 -0.06 0.00 0.00 31.44 29.39 1psy n GLU 80 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1psy h ALA 81 N 1.45 -0.63 -0.69 4.31 0.00 0.21 -2.89 119.26 121.01 1psy h ALA 81 Ca 0.81 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.68 1psy h ALA 81 Cb 2.63 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 20.62 1psy h ALA 81 CO -0.42 -0.69 0.47 0.82 0.00 0.00 0.00 179.25 179.43 1psy h ILE 82 N -0.96 0.77 0.00 0.00 1.08 0.14 0.48 117.51 119.01 1psy h ILE 82 Ca -0.06 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1psy h ILE 82 Cb 0.59 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1psy h ILE 82 CO 0.11 0.05 0.00 0.29 -0.69 0.00 0.00 178.15 177.91 1psy n LYS 83 N -4.44 0.05 -0.00 2.37 4.76 0.94 -1.28 118.16 120.56 1psy n LYS 83 Ca 0.13 0.23 -0.02 0.00 -2.87 0.00 0.00 58.31 55.78 1psy n LYS 83 Cb 0.57 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.25 1psy n LYS 83 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1psy n TYR 84 N -1.45 0.00 0.16 2.13 4.19 0.13 -4.71 117.16 117.61 1psy n TYR 84 Ca 0.04 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.11 1psy n TYR 84 Cb 0.16 -0.09 -0.07 0.00 0.49 0.00 0.00 39.34 39.82 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 -0.19 0.63 0.00 2.97 6.09 -0.52 0.18 117.51 126.67 1psy h ILE 85 Ca 0.00 0.00 -0.31 0.00 -1.37 0.00 0.00 64.86 63.18 1psy h ILE 85 Cb 0.19 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 38.08 1psy h ILE 85 CO 0.00 0.00 1.19 0.00 -3.07 0.00 0.00 178.15 176.27 1psy n ALA 86 N -2.37 5.71 0.04 0.18 0.00 -0.40 -3.29 120.51 120.39 1psy n ALA 86 Ca -0.09 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.34 1psy n ALA 86 Cb 0.21 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.00 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 3.10 0.00 -0.20 0.00 2.13 -1.03 -4.76 120.64 119.89 1psy n GLU 87 Ca 0.46 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1psy n GLU 87 Cb 0.52 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.32 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 -0.20 -0.26 4.31 1.82 -0.64 0.76 116.42 122.21 1psy h ASP 88 Ca 0.00 0.14 -0.14 0.00 -0.39 0.00 0.00 57.03 56.63 1psy h ASP 88 Cb 0.00 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 1psy h ASP 88 CO 0.00 -0.08 -0.40 0.06 -1.61 0.00 0.00 179.24 177.21 1psy h GLN 89 N 0.15 0.73 -0.18 0.28 3.07 -1.79 0.25 115.11 117.60 1psy h GLN 89 Ca 0.31 -0.44 0.04 0.00 0.09 0.00 0.00 58.65 58.66 1psy h GLN 89 Cb 0.49 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 1psy h GLN 89 CO -0.48 1.06 0.13 0.82 0.09 0.00 0.00 178.83 180.45 1psy h ILE 90 N 0.46 0.94 0.14 1.86 2.04 -1.01 0.84 117.51 122.78 1psy h ILE 90 Ca 0.02 -0.02 -0.33 0.00 1.00 0.00 0.00 64.86 65.53 1psy h ILE 90 Cb 0.99 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1psy h ILE 90 CO 0.09 0.01 -1.70 1.56 0.00 0.00 0.00 178.15 178.11 1psy h GLN 91 N 0.05 0.29 0.24 2.37 4.20 0.70 -3.28 115.11 119.68 1psy h GLN 91 Ca 0.08 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.28 1psy h GLN 91 Cb 0.27 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1psy h GLN 91 CO -0.01 1.17 -0.11 0.37 -0.67 0.00 0.00 178.83 179.58 1psy h GLN 92 N 0.08 -0.31 0.00 1.46 -0.00 0.32 -3.47 115.11 113.20 1psy h GLN 92 Ca -0.31 0.02 -0.22 0.00 -0.00 0.00 0.00 58.65 58.14 1psy h GLN 92 Cb 2.05 0.07 0.13 0.00 0.00 0.00 0.00 27.48 29.74 1psy h GLN 92 CO 0.15 -0.21 -0.11 0.41 0.00 0.00 0.00 178.83 179.08 1psy n GLY 93 N 0.81 -3.20 1.92 2.39 0.00 0.28 -4.84 105.19 102.56 1psy n GLY 93 Ca -0.04 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.58 1.76 -0.39 1.61 6.02 -1.26 -4.29 117.38 117.26 1psy n GLN 94 Ca 0.08 -1.37 0.05 0.00 -0.01 0.00 0.00 57.00 55.76 1psy n GLN 94 Cb 0.37 -1.61 0.21 0.00 1.02 0.00 0.00 30.24 30.23 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 0.77 3.12 0.00 1.08 7.99 -1.24 -4.72 117.00 124.00 1psy n LEU 95 Ca 0.28 -1.58 -0.16 0.00 -0.01 0.00 0.00 56.01 54.55 1psy n LEU 95 Cb 0.58 -0.48 0.04 0.00 -0.11 0.00 0.00 43.42 43.46 1psy n LEU 95 CO 0.29 0.50 0.25 1.41 -1.51 0.00 0.00 177.39 178.33 1psy n HIS 96 N 0.51 -2.15 0.00 -1.77 8.25 -1.25 -1.59 115.22 117.21 1psy n HIS 96 Ca 0.15 -1.70 0.00 0.00 -0.26 0.00 0.00 57.72 55.91 1psy n HIS 96 Cb 0.62 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1psy n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1psy n GLY 97 N -0.51 1.68 1.30 -1.41 0.00 -1.26 -3.04 105.19 101.94 1psy n GLY 97 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.09 -1.23 1.61 2.13 -1.26 -4.99 120.64 116.98 1psy n GLU 98 Ca 0.00 -0.11 0.04 0.00 0.66 0.00 0.00 57.16 57.75 1psy n GLU 98 Cb 0.00 0.17 0.04 0.00 0.27 0.00 0.00 31.44 31.93 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 -0.10 0.20 -0.10 5.31 0.28 -1.17 -4.83 120.64 120.23 1psy n GLU 99 Ca -0.02 -2.02 -0.23 0.00 -0.16 0.00 0.00 57.16 54.73 1psy n GLU 99 Cb 0.46 -0.28 -0.12 0.00 1.43 0.00 0.00 31.44 32.94 1psy n GLU 99 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1psy n SER 100 N 0.21 1.92 0.25 -1.84 3.41 -0.62 -3.99 113.62 112.96 1psy n SER 100 Ca 0.07 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 1psy n SER 100 Cb 1.03 -0.91 0.81 0.00 -0.26 0.00 0.00 64.21 64.88 1psy n SER 100 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1psy h GLU 101 N -0.83 0.00 0.00 4.33 4.81 -1.88 0.32 114.58 121.34 1psy h GLU 101 Ca -0.43 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 1psy h GLU 101 Cb 1.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1psy h GLU 101 CO -0.21 0.00 -0.29 -0.09 -0.73 0.00 0.00 179.01 177.69 1psy h ARG 102 N 0.00 0.00 0.05 1.92 1.12 -1.90 -2.47 114.38 113.10 1psy h ARG 102 Ca 0.03 0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 58.67 1psy h ARG 102 Cb 0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 1psy h ARG 102 CO -0.00 0.29 -1.07 0.28 -3.11 0.00 0.00 179.97 176.36 1psy h VAL 103 N 0.00 1.61 -0.21 0.20 2.07 -0.50 -3.19 116.25 116.24 1psy h VAL 103 Ca -0.00 -3.20 -0.01 0.00 0.82 0.00 0.00 66.70 64.31 1psy h VAL 103 Cb 0.66 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1psy h VAL 103 CO 0.04 0.92 0.08 0.00 0.02 0.00 0.00 177.57 178.63 1psy h ALA 104 N 0.85 1.76 -0.17 1.67 0.00 -1.02 -0.87 119.26 121.48 1psy h ALA 104 Ca -0.06 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 1psy h ALA 104 Cb 1.80 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1psy h ALA 104 CO 0.16 0.20 -0.59 1.96 0.00 0.00 0.00 179.25 180.97 1psy h GLN 105 N 0.29 0.56 0.64 0.00 4.20 -1.54 -2.66 115.11 116.60 1psy h GLN 105 Ca 0.07 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 1psy h GLN 105 Cb 0.06 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1psy h GLN 105 CO -0.01 0.99 -0.34 0.00 -0.67 0.00 0.00 178.83 178.81 1psy h ARG 106 N 0.42 -0.86 -0.45 1.46 -0.00 -1.16 -2.98 114.38 110.81 1psy h ARG 106 Ca -0.00 0.06 0.09 0.00 -0.50 0.00 0.00 59.98 59.63 1psy h ARG 106 Cb 1.15 0.20 -0.09 0.00 0.00 0.00 0.00 29.97 31.22 1psy h ARG 106 CO 0.11 -0.57 -0.21 0.00 0.00 0.00 0.00 179.97 179.30 1psy h ALA 107 N -1.51 0.13 -1.33 0.04 0.00 -1.51 0.19 119.26 115.26 1psy h ALA 107 Ca -0.09 0.16 0.47 0.00 0.00 0.00 0.00 54.91 55.45 1psy h ALA 107 Cb 0.70 0.51 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1psy h ALA 107 CO 0.13 -0.56 0.84 0.41 0.00 0.00 0.00 179.25 180.07 1psy n GLY 108 N -1.39 -0.83 0.48 0.00 0.00 -1.00 0.28 105.19 102.73 1psy n GLY 108 Ca 0.03 0.77 -0.17 0.00 0.00 0.00 0.00 46.02 46.65 1psy n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1psy h GLU 109 N 0.00 -0.81 -0.01 1.61 5.08 -0.46 0.15 114.58 120.14 1psy h GLU 109 Ca 0.88 0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 59.19 1psy h GLU 109 Cb 2.77 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 32.19 1psy h GLU 109 CO -0.50 -0.54 -0.48 0.82 -1.00 0.00 0.00 179.01 177.31 1psy h ILE 110 N -0.84 1.34 0.39 3.13 1.08 -0.25 -2.83 117.51 119.53 1psy h ILE 110 Ca -0.02 -1.65 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 1psy h ILE 110 Cb 0.80 1.88 -0.01 0.00 -3.07 0.00 0.00 36.82 36.42 1psy h ILE 110 CO -0.21 0.47 -0.32 0.58 -0.69 0.00 0.00 178.15 177.99 1psy h VAL 111 N 0.01 0.00 0.00 1.67 2.07 -0.16 0.25 116.25 120.09 1psy h VAL 111 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1psy h VAL 111 Cb 0.85 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1psy h VAL 111 CO 0.06 0.00 0.22 0.77 0.02 0.00 0.00 177.57 178.64 1psy h SER 112 N -0.69 0.00 0.00 0.57 4.64 -0.68 0.12 113.55 117.51 1psy h SER 112 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1psy h SER 112 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1psy h SER 112 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1psy n SER 113 N -2.84 0.00 -1.36 4.97 7.64 -0.25 -4.85 113.62 116.93 1psy n SER 113 Ca -0.02 0.45 -0.05 0.00 1.01 0.00 0.00 58.87 60.27 1psy n SER 113 Cb 0.27 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.17 3.90 3.62 0.00 0.00 -0.05 -4.04 105.19 108.45 1psy n GLY 115 Ca -0.21 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.32 3.89 0.00 1.61 0.11 -0.73 -4.16 120.40 117.81 1psy s VAL 116 Ca 0.39 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 60.42 1psy s VAL 116 Cb 0.37 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 1psy s VAL 116 CO -0.04 -0.47 0.00 0.54 -3.33 0.00 0.00 175.10 171.80 1psy n ARG 117 N 7.67 0.00 0.00 1.54 5.12 -1.26 -4.86 116.66 124.87 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 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 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 -0.14 2.50 0.00 0.00 2.81 -1.26 -4.65 117.12 116.38 1psy n MET 119 Ca 0.00 -2.33 0.00 0.00 -1.81 0.00 0.00 57.70 53.56 1psy n MET 119 Cb 0.06 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1psy n MET 119 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1psy n ARG 120 N 1.40 0.00 0.00 0.03 0.63 -1.26 -4.81 116.66 112.65 1psy n ARG 120 Ca 0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 1psy n ARG 120 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 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 -2.39 1.31 0.00 -0.14 7.27 -1.25 -5.01 117.38 117.16 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1psy n GLN 121 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1psy n THR 122 N 0.00 0.00 -1.67 1.69 -1.04 -0.94 -3.47 114.28 108.85 1psy n THR 122 Ca 0.00 0.00 -0.56 0.00 -2.04 0.00 0.00 64.05 61.45 1psy n THR 122 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 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 0.00 1.27 -0.07 -2.82 1.74 -1.26 -4.84 116.66 110.68 1psy n ARG 123 Ca 0.00 0.45 -0.10 0.00 -0.77 0.00 0.00 57.85 57.44 1psy n ARG 123 Cb 0.00 -2.20 -0.06 0.00 -1.02 0.00 0.00 32.46 29.18 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 4.99 0.75 -0.13 0.55 -2.24 -1.26 -5.13 114.28 111.81 1psy n THR 124 Ca 0.28 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1psy n THR 124 Cb 0.16 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1psy n THR 124 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09