#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 -3.92 0.00 1.02 -1.26 -4.90 120.64 111.58 1psy n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1psy n GLU 2 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1psy n GLU 2 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1psy s PHE 3 N 0.00 0.04 0.15 -0.32 5.36 -1.26 -4.90 117.98 117.05 1psy s PHE 3 Ca 0.00 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 1psy s PHE 3 Cb 0.00 0.62 0.02 0.00 -0.34 0.00 0.00 43.02 43.32 1psy s PHE 3 CO 0.00 -0.56 0.20 -0.12 -1.46 0.00 0.00 175.22 173.28 1psy n MET 4 N -0.79 0.95 -4.15 10.12 1.56 -1.26 -5.13 117.12 118.42 1psy n MET 4 Ca 0.00 -0.82 -0.22 0.00 -0.27 0.00 0.00 57.70 56.39 1psy n MET 4 Cb 0.59 -0.04 -0.05 0.00 2.15 0.00 0.00 33.22 35.87 1psy n MET 4 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1psy s GLU 5 N -2.67 2.65 0.00 2.12 2.02 -1.26 -5.06 118.70 116.50 1psy s GLU 5 Ca 0.15 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1psy s GLU 5 Cb -0.01 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1psy s GLU 5 CO 0.09 0.34 0.00 -1.13 0.02 0.00 0.00 175.26 174.58 1psy n SER 6 N -1.10 0.00 -3.64 -0.19 3.41 -1.26 -5.19 113.62 105.65 1psy n SER 6 Ca -0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.50 1psy n SER 6 Cb 0.59 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1psy n SER 6 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1psy s LYS 7 N -2.00 0.86 0.00 4.33 2.20 -1.26 -5.02 119.74 118.86 1psy s LYS 7 Ca 0.00 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1psy s LYS 7 Cb 0.00 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1psy s LYS 7 CO 0.00 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1psy n GLY 8 N -0.37 -1.55 1.49 5.54 0.00 -1.26 -5.09 105.19 103.95 1psy n GLY 8 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.69 0.00 -3.49 1.61 4.07 -1.26 -5.10 120.64 117.16 1psy n GLU 9 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1psy n GLU 9 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 1psy n GLU 9 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1psy s ARG 10 N -2.00 1.35 0.00 5.31 6.06 -1.25 -5.12 118.95 123.29 1psy s ARG 10 Ca 0.00 -0.55 0.00 0.00 -2.50 0.00 0.00 55.73 52.68 1psy s ARG 10 Cb 0.00 0.59 0.00 0.00 0.06 0.00 0.00 34.95 35.60 1psy s ARG 10 CO 0.00 -0.59 0.00 -1.91 -2.50 0.00 0.00 175.30 170.30 1psy n GLU 11 N -0.39 1.74 0.00 5.12 2.13 -1.26 -4.37 120.64 123.61 1psy n GLU 11 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1psy n GLU 11 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 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 5.00 0.98 1.55 8.31 0.00 -1.26 -4.84 105.19 114.93 1psy n GLY 12 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 1.55 3.34 -1.46 1.61 2.88 -1.26 -4.88 113.62 115.40 1psy n SER 13 Ca 0.00 -2.72 -0.01 0.00 -1.33 0.00 0.00 58.87 54.80 1psy n SER 13 Cb 0.00 -0.65 0.01 0.00 -0.75 0.00 0.00 64.21 62.81 1psy n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1psy n SER 14 N -0.24 -0.44 -3.17 -3.46 3.41 -1.26 -5.09 113.62 103.38 1psy n SER 14 Ca 0.27 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1psy n SER 14 Cb 1.03 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 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 -0.89 -0.95 -0.37 4.04 2.88 -1.26 -4.80 113.62 112.27 1psy n SER 15 Ca -0.01 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.46 1psy n SER 15 Cb 0.13 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.04 0.00 -1.46 4.15 -1.93 -3.39 115.11 112.44 1psy h GLN 16 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1psy h GLN 16 Cb 0.00 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.61 1psy h GLN 16 CO 0.00 -0.03 0.18 0.94 -1.93 0.00 0.00 178.83 178.00 1psy n GLN 17 N -5.35 0.17 0.10 1.69 7.27 -1.26 -3.92 117.38 116.08 1psy n GLN 17 Ca 0.05 -0.65 -0.21 0.00 0.07 0.00 0.00 57.00 56.26 1psy n GLN 17 Cb 0.32 -0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.85 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 0.23 0.00 0.05 0.00 2.43 -1.94 0.60 114.38 115.74 1psy h ARG 19 Ca -0.18 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1psy h ARG 19 Cb 1.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1psy h ARG 19 CO 0.23 0.00 -0.02 0.37 -1.51 0.00 0.00 179.97 179.04 1psy h GLN 20 N 0.00 -0.06 -0.10 0.20 4.15 -1.99 -3.24 115.11 114.07 1psy h GLN 20 Ca 0.84 0.00 0.03 0.00 0.77 0.00 0.00 58.65 60.30 1psy h GLN 20 Cb 3.41 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 31.11 1psy h GLN 20 CO -0.01 -0.04 0.10 0.93 -1.93 0.00 0.00 178.83 177.88 1psy h GLU 21 N -0.15 0.00 0.00 1.69 4.39 -1.08 0.97 114.58 120.40 1psy h GLU 21 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1psy h GLU 21 Cb 0.05 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1psy h GLU 21 CO 0.01 0.00 -0.09 0.28 -1.16 0.00 0.00 179.01 178.05 1psy h VAL 22 N 0.00 0.95 0.00 3.13 2.07 -0.03 0.32 116.25 122.69 1psy h VAL 22 Ca 0.05 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1psy h VAL 22 Cb 0.24 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1psy h VAL 22 CO -0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1psy n GLN 23 N -4.27 0.53 -2.70 1.57 6.02 0.34 -3.38 117.38 115.50 1psy n GLN 23 Ca -0.03 0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 56.93 1psy n GLN 23 Cb 0.17 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.04 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 -1.08 1.22 0.00 -1.09 1.85 0.10 -4.91 116.66 112.75 1psy n ARG 24 Ca 0.13 -1.85 0.00 0.00 -1.00 0.00 0.00 57.85 55.13 1psy n ARG 24 Cb 0.09 -0.07 0.00 0.00 -1.05 0.00 0.00 32.46 31.43 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 -0.67 0.00 0.00 2.89 4.81 -0.58 -4.96 118.16 119.65 1psy n LYS 25 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1psy n LYS 25 Cb 0.85 0.00 0.00 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 -1.09 0.00 -4.57 3.14 9.92 -1.22 -4.03 116.55 118.69 1psy n ASP 26 Ca 0.00 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.09 1psy n ASP 26 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1psy n ASP 26 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1psy s LEU 27 N 0.00 2.69 -0.29 0.64 2.01 -1.26 -4.42 118.68 118.04 1psy s LEU 27 Ca 0.00 -0.62 0.20 0.00 0.01 0.00 0.00 54.13 53.72 1psy s LEU 27 Cb 0.00 -2.57 0.48 0.00 0.01 0.00 0.00 46.19 44.11 1psy s LEU 27 CO 0.00 -4.08 1.03 -0.24 1.01 0.00 0.00 176.35 174.07 1psy n SER 28 N 18.28 1.58 0.00 2.29 2.88 -1.26 -4.46 113.62 132.94 1psy n SER 28 Ca 0.44 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.57 1psy n SER 28 Cb 0.45 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.33 0.00 0.08 -3.46 2.88 -1.26 -4.86 113.62 106.67 1psy n SER 29 Ca 0.09 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1psy n SER 29 Cb 0.81 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.22 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 -0.47 0.17 -0.86 0.00 4.39 -1.89 -2.95 114.58 112.98 1psy h GLU 31 Ca 0.05 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1psy h GLU 31 Cb 0.53 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1psy h GLU 31 CO -0.22 0.73 0.55 -0.09 -1.16 0.00 0.00 179.01 178.82 1psy h ARG 32 N 0.13 1.15 -0.19 2.33 9.65 -1.59 0.18 114.38 126.03 1psy h ARG 32 Ca -0.01 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 58.84 1psy h ARG 32 Cb 1.12 -0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 29.39 1psy h ARG 32 CO 0.09 0.78 -0.15 -0.92 2.80 0.00 0.00 179.97 182.57 1psy h TYR 33 N 1.18 -0.38 0.00 2.20 3.20 0.19 0.70 116.97 124.05 1psy h TYR 33 Ca 0.31 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 1psy h TYR 33 Cb -0.09 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1psy h TYR 33 CO 0.00 -0.22 -0.44 1.37 -1.64 0.00 0.00 178.16 177.24 1psy h LEU 34 N -0.16 0.00 -0.25 2.82 8.10 -1.53 -3.10 115.31 121.20 1psy h LEU 34 Ca 0.12 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.01 1psy h LEU 34 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1psy h LEU 34 CO -0.29 0.44 -0.22 -0.09 -4.11 0.00 0.00 178.44 174.17 1psy h ARG 35 N 0.00 0.59 0.00 0.17 1.12 0.76 -3.45 114.38 113.57 1psy h ARG 35 Ca -0.00 -0.30 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 1psy h ARG 35 Cb 1.06 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 1psy h ARG 35 CO 0.06 0.89 0.00 0.94 -3.11 0.00 0.00 179.97 178.75 1psy n GLN 36 N -4.37 0.29 0.00 0.20 7.27 0.23 -5.05 117.38 115.95 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 0.42 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 -2.09 0.00 -2.33 1.69 2.88 -1.26 -4.95 113.62 107.55 1psy n SER 37 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1psy n SER 37 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1psy n SER 37 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1psy n SER 38 N 0.00 3.65 -2.32 -3.46 7.64 -1.26 -4.83 113.62 113.03 1psy n SER 38 Ca 0.00 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1psy n SER 38 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1psy n SER 38 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1psy n SER 39 N -0.66 0.00 -3.12 6.43 2.88 -1.26 -5.11 113.62 112.79 1psy n SER 39 Ca 0.30 -0.60 0.04 0.00 -1.33 0.00 0.00 58.87 57.28 1psy n SER 39 Cb 0.90 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.36 1psy n SER 39 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1psy s ARG 40 N -1.69 0.37 -0.28 -1.46 3.00 -1.26 -4.97 118.95 112.66 1psy s ARG 40 Ca 0.00 0.23 -0.36 0.00 -1.00 0.00 0.00 55.73 54.60 1psy s ARG 40 Cb 0.00 0.13 0.16 0.00 0.00 0.00 0.00 34.95 35.25 1psy s ARG 40 CO 0.00 -0.65 1.36 0.50 0.00 0.00 0.00 175.30 176.51 1psy s ARG 41 N 2.69 0.07 -0.26 5.12 3.00 -1.26 -5.18 118.95 123.13 1psy s ARG 41 Ca 0.19 -0.02 -0.27 0.00 -1.00 0.00 0.00 55.73 54.63 1psy s ARG 41 Cb -0.05 0.03 0.15 0.00 0.00 0.00 0.00 34.95 35.09 1psy s ARG 41 CO -0.22 -0.03 1.18 0.45 0.00 0.00 0.00 175.30 176.68 1psy s SER 42 N -1.78 -0.27 -0.70 -2.12 0.15 -1.26 -5.10 113.70 102.63 1psy s SER 42 Ca 0.11 0.43 -0.26 0.00 0.70 0.00 0.00 55.95 56.93 1psy s SER 42 Cb -0.01 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1psy s SER 42 CO -0.04 -0.15 1.84 0.42 1.20 0.00 0.00 173.24 176.52 1psy s THR 43 N -0.34 3.41 0.00 6.45 -4.23 -1.26 -4.64 115.64 115.02 1psy s THR 43 Ca 0.04 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1psy s THR 43 Cb -0.03 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.78 1psy s THR 43 CO -0.07 -0.99 0.00 0.61 -0.54 0.00 0.00 174.62 173.63 1psy n GLY 44 N 5.98 1.50 1.51 3.99 0.00 -1.26 -5.10 105.19 111.81 1psy n GLY 44 Ca 0.24 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.66 1.61 2.13 -1.26 -5.11 120.64 114.35 1psy n GLU 45 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 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 -2.00 0.07 -0.53 5.31 2.56 -1.26 -5.03 118.70 117.81 1psy s GLU 46 Ca 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 54.97 55.47 1psy s GLU 46 Cb 0.00 -0.30 -0.20 0.00 2.00 0.00 0.00 34.13 35.63 1psy s GLU 46 CO 0.00 -0.33 3.39 0.28 -0.56 0.00 0.00 175.26 178.05 1psy n VAL 47 N 5.33 3.44 -1.99 3.70 0.31 -1.26 -3.03 118.33 124.83 1psy n VAL 47 Ca -0.05 -1.90 -0.02 0.00 -0.01 0.00 0.00 64.34 62.37 1psy n VAL 47 Cb 0.50 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 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 2.79 -0.41 -1.38 7.52 -0.00 -1.26 -4.99 117.00 119.27 1psy n LEU 48 Ca 0.54 -1.09 -0.07 0.00 -0.00 0.00 0.00 56.01 55.39 1psy n LEU 48 Cb 0.69 0.24 0.07 0.00 -0.00 0.00 0.00 43.42 44.43 1psy n LEU 48 CO 0.36 1.00 0.74 -1.14 -0.00 0.00 0.00 177.39 178.35 1psy n ARG 49 N -0.20 1.57 -3.17 1.47 0.00 -1.17 -4.20 116.66 110.95 1psy n ARG 49 Ca -0.09 -1.07 -0.20 0.00 -0.00 0.00 0.00 57.85 56.49 1psy n ARG 49 Cb 0.49 -1.46 -0.04 0.00 0.00 0.00 0.00 32.46 31.45 1psy n ARG 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1psy n MET 50 N -0.04 1.15 -1.36 -0.14 1.56 -1.26 -5.02 117.12 112.00 1psy n MET 50 Ca 0.20 -3.50 -0.42 0.00 -0.27 0.00 0.00 57.70 53.70 1psy n MET 50 Cb 0.88 -1.67 -0.04 0.00 2.15 0.00 0.00 33.22 34.54 1psy n MET 50 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1psy n PRO 51 N 0.48 1.82 0.00 2.12 -0.04 -1.26 -4.24 135.00 133.88 1psy n PRO 51 Ca 0.25 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1psy n PRO 51 Cb 0.60 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 4.54 -0.37 0.00 0.55 0.00 -1.26 -5.01 105.19 103.64 1psy n GLY 52 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1psy n GLY 52 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1psy n ASP 53 N -0.41 0.00 -2.94 1.61 5.75 -1.26 -5.10 116.55 114.19 1psy n ASP 53 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.38 1psy n ASP 53 Cb 0.01 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 1psy n ASP 53 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1psy n GLU 54 N 0.00 0.00 -1.18 0.11 0.28 -1.26 -4.80 120.64 113.79 1psy n GLU 54 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1psy n GLU 54 Cb 0.00 -1.03 0.14 0.00 1.43 0.00 0.00 31.44 31.98 1psy n GLU 54 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1psy n ASN 55 N 5.40 3.93 -4.84 -1.84 3.02 -1.26 -5.00 115.26 114.67 1psy n ASN 55 Ca 0.39 -3.77 -0.21 0.00 -0.03 0.00 0.00 54.58 50.95 1psy n ASN 55 Cb -0.02 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.45 1psy n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1psy s GLN 56 N -3.43 2.74 0.00 3.52 -2.07 -1.26 -4.76 119.66 114.40 1psy s GLN 56 Ca 0.51 -1.27 0.00 0.00 -1.82 0.00 0.00 55.36 52.77 1psy s GLN 56 Cb 0.43 -2.48 0.00 0.00 -1.09 0.00 0.00 33.01 29.88 1psy s GLN 56 CO 0.01 0.14 0.00 0.94 -1.32 0.00 0.00 175.29 175.06 1psy n GLN 57 N -1.34 0.00 0.00 9.60 -0.06 -1.26 -5.06 117.38 119.26 1psy n GLN 57 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1psy n GLN 57 Cb 0.60 -0.85 0.00 0.00 -4.06 0.00 0.00 30.24 25.93 1psy n GLN 57 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1psy n GLN 58 N -2.43 0.00 -2.73 3.69 1.13 -1.26 -5.07 117.38 110.70 1psy n GLN 58 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1psy n GLN 58 Cb 0.42 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.79 1psy n GLN 58 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1psy s GLU 59 N 0.00 0.17 -0.38 -1.09 4.04 -1.26 -5.10 118.70 115.08 1psy s GLU 59 Ca 0.00 -0.10 -0.03 0.00 0.04 0.00 0.00 54.97 54.88 1psy s GLU 59 Cb 0.00 0.01 0.20 0.00 0.02 0.00 0.00 34.13 34.36 1psy s GLU 59 CO 0.00 -0.23 0.97 -1.54 -1.84 0.00 0.00 175.26 172.61 1psy s SER 60 N 1.64 -0.65 0.45 0.83 1.04 -1.26 -5.00 113.70 110.76 1psy s SER 60 Ca 0.17 -0.61 0.24 0.00 0.48 0.00 0.00 55.95 56.24 1psy s SER 60 Cb 0.07 0.84 1.26 0.00 0.10 0.00 0.00 66.02 68.29 1psy s SER 60 CO -0.14 -0.04 1.81 0.06 0.98 0.00 0.00 173.24 175.91 1psy h GLN 61 N 4.97 0.24 0.32 4.02 -0.00 -1.99 0.13 115.11 122.80 1psy h GLN 61 Ca 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1psy h GLN 61 Cb 1.18 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.60 1psy h GLN 61 CO -0.06 0.16 -0.15 1.96 -0.00 0.00 0.00 178.83 180.74 1psy h GLN 62 N 0.25 -0.41 -0.63 0.06 4.20 -1.94 -3.08 115.11 113.55 1psy h GLN 62 Ca 0.55 0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.47 1psy h GLN 62 Cb 1.67 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.51 1psy h GLN 62 CO -0.17 -0.27 0.60 1.25 -0.67 0.00 0.00 178.83 179.57 1psy h LEU 63 N -1.02 0.00 -0.61 1.46 6.46 -1.78 0.55 115.31 120.37 1psy h LEU 63 Ca -0.04 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1psy h LEU 63 Cb 0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1psy h LEU 63 CO 0.07 0.00 0.24 -0.61 -0.62 0.00 0.00 178.44 177.52 1psy h GLN 64 N 0.00 0.92 -0.57 1.25 4.15 -0.75 -1.65 115.11 118.46 1psy h GLN 64 Ca 0.30 -0.17 0.06 0.00 0.77 0.00 0.00 58.65 59.61 1psy h GLN 64 Cb 1.50 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 29.01 1psy h GLN 64 CO -0.00 0.79 0.38 1.96 -1.93 0.00 0.00 178.83 180.02 1psy h GLN 65 N 0.86 0.51 0.04 1.69 4.20 0.20 0.42 115.11 123.02 1psy h GLN 65 Ca 0.20 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1psy h GLN 65 Cb 0.22 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1psy h GLN 65 CO -0.02 0.33 -0.02 0.00 -0.67 0.00 0.00 178.83 178.46 1psy h ASN 68 N 0.35 0.00 0.05 0.00 -0.26 -0.19 0.57 115.58 116.11 1psy h ASN 68 Ca 0.10 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.73 1psy h ASN 68 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1psy h ASN 68 CO -0.02 0.08 -0.44 1.56 -1.06 0.00 0.00 177.43 177.54 1psy h GLN 69 N 0.00 0.21 0.00 0.81 1.08 0.12 -3.02 115.11 114.31 1psy h GLN 69 Ca -0.00 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 1psy h GLN 69 Cb 0.15 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1psy h GLN 69 CO 0.01 1.08 0.00 0.28 -0.95 0.00 0.00 178.83 179.25 1psy h VAL 70 N -0.51 0.00 0.00 -0.54 2.07 0.37 -1.72 116.25 115.92 1psy h VAL 70 Ca -0.07 -0.45 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 1psy h VAL 70 Cb 1.27 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 1psy h VAL 70 CO 0.08 0.00 -0.69 0.50 0.02 0.00 0.00 177.57 177.48 1psy h LYS 71 N 0.00 0.00 -0.63 1.57 3.64 0.12 -2.91 116.57 118.36 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 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1psy h LYS 71 CO 0.00 0.69 0.00 1.04 -2.27 0.00 0.00 179.45 178.91 1psy n GLN 72 N -3.42 2.80 -1.30 1.90 6.02 -0.67 -4.74 117.38 117.97 1psy n GLN 72 Ca 0.00 -2.32 -0.31 0.00 -0.01 0.00 0.00 57.00 54.37 1psy n GLN 72 Cb 0.76 -1.61 0.10 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.42 3.27 0.00 5.09 0.11 -1.08 -4.68 120.40 121.69 1psy s VAL 73 Ca 0.42 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 1psy s VAL 73 Cb 0.24 -2.94 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 1psy s VAL 73 CO 0.25 -0.54 0.47 0.54 -3.33 0.00 0.00 175.10 172.50 1psy n ARG 74 N -3.54 0.00 0.00 1.54 5.12 -1.26 -4.72 116.66 113.80 1psy n ARG 74 Ca 0.08 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 1psy n ARG 74 Cb 0.54 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 1psy n ARG 74 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1psy n ASP 75 N -1.43 0.00 -0.00 0.55 2.03 -1.26 -4.85 116.55 111.58 1psy n ASP 75 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 1psy n ASP 75 Cb 0.00 0.00 0.90 0.00 -0.72 0.00 0.00 41.12 41.30 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 0.87 -0.02 -0.67 0.28 -1.26 -1.48 120.64 118.36 1psy n GLU 76 Ca 0.00 -0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.12 1psy n GLU 76 Cb 0.00 -1.50 0.44 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 n GLN 78 N 0.37 0.00 -0.08 0.00 6.02 -0.55 -0.46 117.38 122.69 1psy n GLN 78 Ca 0.18 0.11 -0.07 0.00 -0.01 0.00 0.00 57.00 57.21 1psy n GLN 78 Cb 0.38 -1.01 -0.01 0.00 1.02 0.00 0.00 30.24 30.63 1psy n GLN 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1psy h GLU 80 N -0.20 0.05 0.50 0.00 4.57 -1.76 0.55 114.58 118.28 1psy h GLU 80 Ca 0.16 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1psy h GLU 80 Cb 0.46 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1psy h GLU 80 CO -0.44 0.03 -0.24 0.00 -1.18 0.00 0.00 179.01 177.18 1psy h ALA 81 N 1.32 -0.67 -0.72 2.92 0.00 0.22 -2.30 119.26 120.03 1psy h ALA 81 Ca 0.79 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.60 1psy h ALA 81 Cb 2.90 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 20.90 1psy h ALA 81 CO -0.14 -0.79 0.47 0.82 0.00 0.00 0.00 179.25 179.61 1psy h ILE 82 N -0.84 0.96 0.00 0.00 1.08 0.15 0.42 117.51 119.29 1psy h ILE 82 Ca -0.07 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1psy h ILE 82 Cb 0.58 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1psy h ILE 82 CO 0.11 0.12 0.00 0.29 -0.69 0.00 0.00 178.15 177.98 1psy n LYS 83 N -4.49 0.05 -0.01 2.37 4.01 -0.07 -1.28 118.16 118.74 1psy n LYS 83 Ca 0.11 0.24 -0.01 0.00 -0.51 0.00 0.00 58.31 58.14 1psy n LYS 83 Cb 0.30 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.32 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 -1.45 0.00 0.22 2.13 9.36 0.58 -4.67 117.16 123.34 1psy n TYR 84 Ca 0.04 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.11 1psy n TYR 84 Cb 0.15 -0.07 -0.08 0.00 -0.63 0.00 0.00 39.34 38.71 1psy n TYR 84 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 1psy h ILE 85 N -0.14 0.62 0.00 2.97 6.09 -0.41 0.20 117.51 126.85 1psy h ILE 85 Ca 0.00 0.00 -0.36 0.00 -1.37 0.00 0.00 64.86 63.13 1psy h ILE 85 Cb 0.14 0.62 -0.02 0.00 0.47 0.00 0.00 36.82 38.03 1psy h ILE 85 CO 0.00 0.00 1.52 0.00 -3.07 0.00 0.00 178.15 176.60 1psy n ALA 86 N -2.32 6.08 0.03 0.18 0.00 -0.41 -3.17 120.51 120.90 1psy n ALA 86 Ca -0.11 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1psy n ALA 86 Cb 0.22 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.91 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 3.16 0.00 0.08 0.00 2.13 -1.04 -4.72 120.64 120.24 1psy n GLU 87 Ca 0.51 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.21 1psy n GLU 87 Cb 0.50 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.14 1psy n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1psy h ASP 88 N 0.00 -0.11 0.29 4.31 5.19 -0.56 0.45 116.42 125.99 1psy h ASP 88 Ca 0.00 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1psy h ASP 88 Cb 0.00 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1psy h ASP 88 CO 0.00 -0.07 -0.29 0.06 -3.12 0.00 0.00 179.24 175.81 1psy h GLN 89 N -0.11 0.01 -0.30 3.56 -0.00 -1.76 0.33 115.11 116.83 1psy h GLN 89 Ca -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1psy h GLN 89 Cb 0.10 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.56 1psy h GLN 89 CO 0.01 0.30 0.15 0.82 -0.00 0.00 0.00 178.83 180.10 1psy h ILE 90 N 0.01 1.15 0.06 1.86 2.04 -1.25 0.67 117.51 122.04 1psy h ILE 90 Ca -0.00 -0.43 -0.26 0.00 1.00 0.00 0.00 64.86 65.17 1psy h ILE 90 Cb 0.52 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1psy h ILE 90 CO 0.04 0.16 -1.10 1.56 0.00 0.00 0.00 178.15 178.80 1psy h GLN 91 N 0.36 0.48 0.40 2.37 4.20 -0.56 -3.16 115.11 119.19 1psy h GLN 91 Ca 0.10 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 1psy h GLN 91 Cb 0.11 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1psy h GLN 91 CO -0.01 1.23 -0.19 0.37 -0.67 0.00 0.00 178.83 179.55 1psy h GLN 92 N 0.23 -0.52 0.00 1.46 5.75 -0.24 -3.46 115.11 118.34 1psy h GLN 92 Ca -0.13 0.04 -0.27 0.00 -0.15 0.00 0.00 58.65 58.14 1psy h GLN 92 Cb 1.76 0.12 0.14 0.00 1.07 0.00 0.00 27.48 30.57 1psy h GLN 92 CO 0.20 -0.22 0.02 0.41 -2.65 0.00 0.00 178.83 176.59 1psy n GLY 93 N -0.07 -3.07 1.85 2.39 0.00 0.23 -4.90 105.19 101.63 1psy n GLY 93 Ca -0.09 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 -4.07 1.70 -0.25 1.61 6.02 -1.26 -4.25 117.38 116.88 1psy n GLN 94 Ca 0.10 -1.34 0.05 0.00 -0.01 0.00 0.00 57.00 55.81 1psy n GLN 94 Cb 0.41 -1.54 0.17 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 0.58 2.30 0.00 1.08 7.99 -1.20 -4.83 117.00 122.92 1psy n LEU 95 Ca 0.26 -1.15 -0.14 0.00 -0.01 0.00 0.00 56.01 54.97 1psy n LEU 95 Cb 0.57 -0.32 0.05 0.00 -0.11 0.00 0.00 43.42 43.61 1psy n LEU 95 CO 0.31 0.49 0.27 1.41 -1.51 0.00 0.00 177.39 178.36 1psy n HIS 96 N 0.54 -2.57 0.00 -1.77 8.25 -1.25 -0.58 115.22 117.83 1psy n HIS 96 Ca 0.13 -1.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.14 1psy n HIS 96 Cb 0.40 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 0.03 1.93 1.22 -1.41 0.00 -1.26 -3.49 105.19 102.22 1psy n GLY 97 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.05 -0.33 1.61 2.13 -1.26 -4.98 120.64 117.87 1psy n GLU 98 Ca 0.00 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1psy n GLU 98 Cb 0.00 0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.89 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 -0.06 0.00 0.08 5.31 0.28 -1.23 -4.81 120.64 120.21 1psy n GLU 99 Ca -0.01 -0.80 -0.12 0.00 -0.16 0.00 0.00 57.16 56.07 1psy n GLU 99 Cb 0.44 -0.48 -0.05 0.00 1.43 0.00 0.00 31.44 32.77 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 0.37 -0.04 -1.84 4.64 -1.09 -3.22 113.55 112.36 1psy h SER 100 Ca 0.00 -0.32 -0.15 0.00 -0.47 0.00 0.00 61.79 60.85 1psy h SER 100 Cb 1.26 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1psy h SER 100 CO 0.00 1.15 -0.57 -0.08 -0.87 0.00 0.00 176.83 176.47 1psy h GLU 101 N 0.13 0.46 -0.16 4.77 4.57 -1.87 -2.78 114.58 119.71 1psy h GLU 101 Ca -0.07 -0.44 0.05 0.00 -1.18 0.00 0.00 59.36 57.71 1psy h GLU 101 Cb 1.64 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.34 1psy h GLU 101 CO 0.16 1.08 0.29 0.07 -1.18 0.00 0.00 179.01 179.43 1psy h ARG 102 N 0.00 0.00 0.00 1.92 0.11 -1.89 0.52 114.38 115.04 1psy h ARG 102 Ca -0.06 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.89 1psy h ARG 102 Cb 1.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.31 1psy h ARG 102 CO 0.11 0.00 -0.63 0.28 0.10 0.00 0.00 179.97 179.83 1psy h VAL 103 N 0.00 1.10 -0.35 0.08 2.07 -1.50 -2.96 116.25 114.68 1psy h VAL 103 Ca 0.08 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 1psy h VAL 103 Cb 0.65 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1psy h VAL 103 CO -0.00 0.62 0.19 0.00 0.02 0.00 0.00 177.57 178.39 1psy h ALA 104 N 1.37 0.45 -0.01 1.67 0.00 0.13 -2.31 119.26 120.56 1psy h ALA 104 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1psy h ALA 104 Cb 1.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1psy h ALA 104 CO 0.08 -0.01 -0.60 -0.56 0.00 0.00 0.00 179.25 178.16 1psy h GLN 105 N 0.44 0.05 0.27 0.00 3.07 -1.61 -2.65 115.11 114.69 1psy h GLN 105 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.83 1psy h GLN 105 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 1psy h GLN 105 CO -0.02 0.63 -0.30 0.00 0.09 0.00 0.00 178.83 179.23 1psy h ARG 106 N 0.04 -0.59 -0.18 0.06 2.47 -1.25 -1.87 114.38 113.05 1psy h ARG 106 Ca -0.01 0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 1psy h ARG 106 Cb 1.06 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1psy h ARG 106 CO 0.08 -0.40 -0.29 0.00 0.56 0.00 0.00 179.97 179.93 1psy h ALA 107 N -0.03 1.18 -1.06 0.04 0.00 -1.45 -2.08 119.26 115.86 1psy h ALA 107 Ca -0.01 -0.34 0.32 0.00 0.00 0.00 0.00 54.91 54.89 1psy h ALA 107 Cb 0.58 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1psy h ALA 107 CO -0.08 0.53 0.63 0.78 0.00 0.00 0.00 179.25 181.11 1psy h GLY 108 N 1.04 1.81 0.22 0.00 0.00 -0.97 0.15 103.07 105.31 1psy h GLY 108 Ca 0.04 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.21 1psy h GLY 108 CO 0.05 -0.40 -0.20 0.83 0.00 0.00 0.00 176.54 176.82 1psy h GLU 109 N 0.32 -0.18 -0.02 4.80 5.08 -1.08 0.28 114.58 123.79 1psy h GLU 109 Ca 0.72 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.93 1psy h GLU 109 Cb 1.75 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 1psy h GLU 109 CO -0.52 -0.12 -0.73 0.82 -1.00 0.00 0.00 179.01 177.46 1psy h ILE 110 N -0.19 1.47 0.52 3.13 1.08 -0.99 -2.81 117.51 119.72 1psy h ILE 110 Ca 0.14 -2.36 -0.02 0.00 -0.39 0.00 0.00 64.86 62.23 1psy h ILE 110 Cb 0.40 2.27 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1psy h ILE 110 CO -0.36 0.68 -0.40 0.58 -0.69 0.00 0.00 178.15 177.96 1psy h VAL 111 N 0.07 0.20 -0.16 1.67 2.07 0.35 0.11 116.25 120.56 1psy h VAL 111 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1psy h VAL 111 Cb 1.28 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1psy h VAL 111 CO 0.10 0.00 0.26 0.77 0.02 0.00 0.00 177.57 178.72 1psy h SER 112 N -0.90 0.00 0.00 0.57 4.64 -0.39 0.07 113.55 117.54 1psy h SER 112 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1psy h SER 112 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1psy h SER 112 CO 0.01 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.77 1psy n SER 113 N -3.48 0.00 -2.71 4.97 7.64 -0.18 -4.84 113.62 115.01 1psy n SER 113 Ca 0.01 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.08 1psy n SER 113 Cb 0.36 -0.13 0.08 0.00 -1.01 0.00 0.00 64.21 63.52 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 -0.96 2.04 3.59 0.00 0.00 -0.15 -4.11 105.19 105.60 1psy n GLY 115 Ca -0.04 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.90 3.63 0.00 1.61 0.11 -0.26 -4.30 120.40 120.30 1psy s VAL 116 Ca 0.26 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 1psy s VAL 116 Cb 0.27 -4.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1psy s VAL 116 CO -0.09 -0.76 0.00 0.54 -3.33 0.00 0.00 175.10 171.46 1psy n ARG 117 N 8.53 0.00 0.00 1.54 5.12 -1.26 -4.11 116.66 126.48 1psy n ARG 117 Ca 0.18 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 56.11 1psy n ARG 117 Cb 0.49 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 -0.50 2.54 0.00 0.00 0.00 -1.26 -4.60 117.12 113.30 1psy n MET 119 Ca 0.01 -2.34 0.00 0.00 0.00 0.00 0.00 57.70 55.37 1psy n MET 119 Cb 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 33.22 31.73 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 1.38 0.00 -0.99 2.12 0.63 -1.26 -4.83 116.66 113.71 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 0.56 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.45 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 -1.72 1.21 -0.56 -0.14 -0.06 -1.23 -4.99 117.38 109.89 1psy n GLN 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1psy n GLN 121 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1psy n GLN 121 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1psy n THR 122 N 0.00 0.00 -1.51 1.69 -2.24 -1.15 -3.54 114.28 107.53 1psy n THR 122 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1psy n THR 122 Cb 0.00 -1.40 -0.10 0.00 -2.10 0.00 0.00 70.33 66.74 1psy n THR 122 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1psy n ARG 123 N -0.92 0.21 0.00 -0.78 0.63 -1.26 -4.40 116.66 110.14 1psy n ARG 123 Ca 0.00 -1.18 0.00 0.00 -0.92 0.00 0.00 57.85 55.75 1psy n ARG 123 Cb 0.00 -3.41 0.00 0.00 0.45 0.00 0.00 32.46 29.50 1psy n ARG 123 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1psy n THR 124 N 8.35 0.00 0.30 5.15 5.66 -1.26 -4.88 114.28 127.60 1psy n THR 124 Ca 0.40 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.42 1psy n THR 124 Cb 0.44 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.37 1psy n THR 124 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56