#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 0.72 -1.55 0.00 2.13 -1.26 -5.11 120.64 115.58 1psy n GLU 2 Ca 0.00 -1.91 -0.33 0.00 0.66 0.00 0.00 57.16 55.58 1psy n GLU 2 Cb 0.00 -1.46 -0.05 0.00 0.27 0.00 0.00 31.44 30.21 1psy n GLU 2 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1psy n PHE 3 N 1.88 1.29 -3.15 4.31 7.35 -1.26 -4.85 117.46 123.04 1psy n PHE 3 Ca 0.12 0.12 0.04 0.00 -0.76 0.00 0.00 57.45 56.97 1psy n PHE 3 Cb 0.61 -2.58 -0.00 0.00 0.35 0.00 0.00 39.48 37.86 1psy n PHE 3 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1psy s MET 4 N 8.43 0.51 0.02 -4.13 1.75 -1.26 -5.15 119.30 119.48 1psy s MET 4 Ca 1.01 0.55 0.02 0.00 -1.25 0.00 0.00 55.69 56.02 1psy s MET 4 Cb -0.27 0.26 -0.02 0.00 2.84 0.00 0.00 34.83 37.65 1psy s MET 4 CO 0.26 -0.92 -0.07 -1.83 -0.65 0.00 0.00 175.02 171.82 1psy s GLU 5 N 2.85 0.47 0.00 4.11 4.04 -1.26 -5.15 118.70 123.76 1psy s GLU 5 Ca 0.13 -0.53 0.00 0.00 0.04 0.00 0.00 54.97 54.61 1psy s GLU 5 Cb -0.10 -0.32 0.00 0.00 0.02 0.00 0.00 34.13 33.74 1psy s GLU 5 CO -0.25 0.07 0.00 0.43 -1.84 0.00 0.00 175.26 173.67 1psy n SER 6 N 2.05 0.00 -3.33 0.83 7.64 -1.26 -5.13 113.62 114.41 1psy n SER 6 Ca -0.19 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.57 1psy n SER 6 Cb 0.56 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 1psy n SER 6 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1psy s LYS 7 N -2.00 0.43 -0.37 1.43 2.47 -1.26 -5.08 119.74 115.36 1psy s LYS 7 Ca 0.00 -0.07 -0.00 0.00 -1.56 0.00 0.00 55.97 54.34 1psy s LYS 7 Cb 0.00 -0.44 0.18 0.00 -1.46 0.00 0.00 37.83 36.11 1psy s LYS 7 CO 0.00 -1.06 0.82 0.20 0.16 0.00 0.00 175.35 175.47 1psy s GLY 8 N 2.35 -1.38 0.12 5.54 0.00 -1.26 -5.05 107.32 107.64 1psy s GLY 8 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.59 1psy s GLY 8 CO -0.27 3.96 0.00 -2.21 0.00 0.00 0.00 173.10 174.58 1psy n GLU 9 N 4.15 0.00 0.00 2.90 2.13 -1.26 -5.02 120.64 123.54 1psy n GLU 9 Ca 0.08 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.90 1psy n GLU 9 Cb 0.60 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.31 1psy n GLU 9 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1psy h ARG 10 N 0.00 -0.01 -6.23 5.31 2.43 -2.06 -3.45 114.38 110.37 1psy h ARG 10 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 1psy h ARG 10 Cb 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1psy h ARG 10 CO 0.00 -0.01 0.16 -1.21 -1.51 0.00 0.00 179.97 177.40 1psy s GLU 11 N -1.37 4.48 0.03 0.20 8.01 -1.26 -4.98 118.70 123.82 1psy s GLU 11 Ca -0.00 1.05 -0.17 0.00 0.01 0.00 0.00 54.97 55.86 1psy s GLU 11 Cb 0.00 -3.40 -0.28 0.00 -4.31 0.00 0.00 34.13 26.14 1psy s GLU 11 CO 0.00 0.18 1.08 0.78 0.01 0.00 0.00 175.26 177.31 1psy h GLY 12 N 6.12 0.63 0.00 -1.39 0.00 -1.97 -3.43 103.07 103.03 1psy h GLY 12 Ca -0.43 -1.29 0.00 0.00 0.00 0.00 0.00 47.33 45.61 1psy h GLY 12 CO 0.73 1.14 0.00 -1.26 0.00 0.00 0.00 176.54 177.14 1psy n SER 13 N -3.91 0.00 -3.56 0.19 2.88 -1.26 -5.02 113.62 102.94 1psy n SER 13 Ca -0.13 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.26 1psy n SER 13 Cb 0.91 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.31 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 0.00 -0.56 0.52 -3.46 1.04 -1.26 -4.97 113.70 105.01 1psy s SER 14 Ca 0.00 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1psy s SER 14 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1psy s SER 14 CO 0.00 -0.44 0.00 -0.24 0.98 0.00 0.00 173.24 173.54 1psy n SER 15 N 1.19 -1.04 -0.34 7.02 2.88 -1.26 -4.83 113.62 117.25 1psy n SER 15 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1psy n SER 15 Cb 0.57 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.08 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 -1.04 -0.18 -2.31 -1.46 7.27 -1.26 -4.09 117.38 114.31 1psy n GLN 16 Ca 0.00 1.36 -0.03 0.00 0.07 0.00 0.00 57.00 58.40 1psy n GLN 16 Cb 0.00 -2.02 0.03 0.00 2.41 0.00 0.00 30.24 30.66 1psy n GLN 16 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1psy n GLN 17 N -5.32 0.49 -0.08 3.69 7.27 -1.26 -5.02 117.38 117.14 1psy n GLN 17 Ca 0.10 -0.73 -0.15 0.00 0.07 0.00 0.00 57.00 56.29 1psy n GLN 17 Cb 0.37 0.07 -0.05 0.00 2.41 0.00 0.00 30.24 33.05 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 0.56 0.14 0.36 0.00 2.43 -1.94 0.58 114.38 116.52 1psy h ARG 19 Ca 0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1psy h ARG 19 Cb 1.07 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1psy h ARG 19 CO 0.11 0.09 -0.18 0.37 -1.51 0.00 0.00 179.97 178.85 1psy h GLN 20 N 0.15 -0.47 -0.04 0.20 4.15 -1.98 -2.08 115.11 115.04 1psy h GLN 20 Ca 0.59 0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.83 1psy h GLN 20 Cb 2.02 0.11 0.00 0.00 0.21 0.00 0.00 27.48 29.82 1psy h GLN 20 CO -0.14 -0.21 -0.86 0.93 -1.93 0.00 0.00 178.83 176.62 1psy h GLU 21 N -0.67 0.47 -0.56 1.69 4.39 -0.19 -3.30 114.58 116.41 1psy h GLU 21 Ca -0.05 -0.45 0.09 0.00 0.34 0.00 0.00 59.36 59.29 1psy h GLU 21 Cb 0.48 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1psy h GLU 21 CO 0.08 1.09 0.38 0.28 -1.16 0.00 0.00 179.01 179.68 1psy h VAL 22 N 0.29 0.92 0.00 3.13 2.07 -0.27 0.41 116.25 122.80 1psy h VAL 22 Ca -0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1psy h VAL 22 Cb 1.48 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1psy h VAL 22 CO 0.15 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1psy n GLN 23 N -4.47 0.12 -0.26 1.57 -0.00 -0.78 -2.80 117.38 110.76 1psy n GLN 23 Ca 0.09 0.21 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 1psy n GLN 23 Cb 0.34 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.08 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 -1.33 0.00 0.00 2.61 1.85 0.53 -4.95 116.66 115.38 1psy n ARG 24 Ca 0.05 -0.65 0.00 0.00 -1.00 0.00 0.00 57.85 56.25 1psy n ARG 24 Cb 0.09 -0.42 0.00 0.00 -1.05 0.00 0.00 32.46 31.08 1psy n ARG 24 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1psy n LYS 25 N 0.00 0.00 -0.55 2.89 4.81 0.11 -5.04 118.16 120.38 1psy n LYS 25 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1psy n LYS 25 Cb 0.59 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.87 1psy n LYS 25 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1psy s ASP 26 N 1.40 1.43 0.00 3.14 1.11 -1.21 -4.28 116.67 118.27 1psy s ASP 26 Ca 0.00 1.74 0.00 0.00 0.18 0.00 0.00 52.55 54.47 1psy s ASP 26 Cb 0.00 -2.41 0.00 0.00 1.07 0.00 0.00 42.92 41.58 1psy s ASP 26 CO 0.00 -3.96 0.00 0.18 1.18 0.00 0.00 175.17 172.57 1psy n LEU 27 N -4.77 0.00 -1.22 1.23 7.99 -1.26 -4.59 117.00 114.38 1psy n LEU 27 Ca 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 56.10 1psy n LEU 27 Cb 0.53 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.90 1psy n LEU 27 CO 0.55 0.00 0.14 -0.24 -1.51 0.00 0.00 177.39 176.33 1psy n SER 28 N 0.00 1.09 0.00 -1.43 2.88 -1.26 -4.60 113.62 110.30 1psy n SER 28 Ca 0.00 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 1psy n SER 28 Cb 0.00 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 0.11 0.00 -0.04 -3.46 2.88 -1.26 -4.85 113.62 107.00 1psy n SER 29 Ca 0.08 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.54 1psy n SER 29 Cb 1.02 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.46 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 -0.07 0.00 -0.22 0.00 3.07 -1.91 -3.04 114.58 112.41 1psy h GLU 31 Ca 0.11 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1psy h GLU 31 Cb 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1psy h GLU 31 CO -0.25 0.75 -0.03 -0.09 -1.40 0.00 0.00 179.01 177.99 1psy h ARG 32 N 0.00 0.33 -0.37 2.33 9.65 -1.62 -2.04 114.38 122.66 1psy h ARG 32 Ca -0.01 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1psy h ARG 32 Cb 1.42 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.91 1psy h ARG 32 CO 0.10 0.38 0.18 -0.92 2.80 0.00 0.00 179.97 182.51 1psy h TYR 33 N 0.32 0.34 0.00 2.20 3.20 -0.04 -0.02 116.97 122.96 1psy h TYR 33 Ca 0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1psy h TYR 33 Cb 0.27 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1psy h TYR 33 CO 0.01 0.18 -0.31 1.37 -1.64 0.00 0.00 178.16 177.76 1psy h LEU 34 N 0.37 0.00 -0.51 2.82 8.10 -1.60 -2.99 115.31 121.51 1psy h LEU 34 Ca 0.16 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 58.03 1psy h LEU 34 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.28 1psy h LEU 34 CO -0.11 0.31 -0.16 -0.09 -4.11 0.00 0.00 178.44 174.28 1psy h ARG 35 N 0.00 1.00 0.00 0.17 2.43 -0.56 -3.45 114.38 113.97 1psy h ARG 35 Ca -0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1psy h ARG 35 Cb 0.90 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1psy h ARG 35 CO 0.04 1.08 0.00 0.94 -1.51 0.00 0.00 179.97 180.52 1psy n GLN 36 N -4.15 0.38 0.00 0.20 0.00 -0.12 -5.07 117.38 108.63 1psy n GLN 36 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 1psy n GLN 36 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.67 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 -1.49 0.00 -3.15 1.69 2.88 -1.26 -4.99 113.62 107.30 1psy n SER 37 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1psy n SER 37 Cb 0.00 0.05 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 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 -3.27 -1.47 0.13 -3.46 0.15 -1.26 -5.14 113.70 99.38 1psy s SER 38 Ca 0.00 0.65 -0.26 0.00 0.70 0.00 0.00 55.95 57.04 1psy s SER 38 Cb 0.00 2.12 0.07 0.00 -1.71 0.00 0.00 66.02 66.50 1psy s SER 38 CO 0.00 -0.27 0.93 -0.94 1.20 0.00 0.00 173.24 174.16 1psy s SER 39 N 2.85 -0.22 0.04 5.45 1.04 -1.26 -5.10 113.70 116.49 1psy s SER 39 Ca 0.17 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1psy s SER 39 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1psy s SER 39 CO -0.23 -0.86 0.00 -1.14 0.98 0.00 0.00 173.24 171.99 1psy n ARG 40 N -0.42 0.00 -3.07 4.02 0.00 -1.26 -5.09 116.66 110.83 1psy n ARG 40 Ca -0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.80 1psy n ARG 40 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.08 1psy n ARG 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1psy n ARG 41 N -2.32 0.07 0.00 -0.14 3.00 -1.26 -5.15 116.66 110.87 1psy n ARG 41 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.85 57.46 1psy n ARG 41 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 32.46 33.13 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 -0.64 0.00 -4.59 6.15 2.88 -1.26 -4.97 113.62 111.18 1psy n SER 42 Ca 0.03 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.15 1psy n SER 42 Cb 0.32 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.76 1psy n SER 42 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1psy s THR 43 N 0.13 3.56 0.00 2.46 -4.23 -1.26 -4.59 115.64 111.71 1psy s THR 43 Ca 0.00 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1psy s THR 43 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1psy s THR 43 CO 0.00 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1psy n GLY 44 N 5.39 0.02 2.66 3.99 0.00 -1.26 -5.09 105.19 110.89 1psy n GLY 44 Ca 0.21 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 2.23 0.79 -2.39 1.61 4.07 -1.26 -5.01 120.64 120.68 1psy n GLU 45 Ca 0.00 -1.97 -0.37 0.00 -0.06 0.00 0.00 57.16 54.76 1psy n GLU 45 Cb 0.00 -1.40 -0.03 0.00 -0.06 0.00 0.00 31.44 29.95 1psy n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1psy s GLU 46 N 0.36 3.32 -0.13 5.31 2.12 -1.26 -4.83 118.70 123.59 1psy s GLU 46 Ca 0.32 -1.11 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 1psy s GLU 46 Cb 0.23 -5.32 -0.10 0.00 0.26 0.00 0.00 34.13 29.20 1psy s GLU 46 CO -0.21 -2.68 2.98 0.28 -0.54 0.00 0.00 175.26 175.10 1psy n VAL 47 N 7.11 2.85 -2.01 3.70 0.31 -1.26 -3.11 118.33 125.93 1psy n VAL 47 Ca 0.39 -1.63 -0.01 0.00 -0.01 0.00 0.00 64.34 63.08 1psy n VAL 47 Cb 0.49 -1.76 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 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 1.76 -0.15 -0.61 7.52 -0.00 -1.26 -4.37 117.00 119.89 1psy n LEU 48 Ca 0.35 -1.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.17 1psy n LEU 48 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.15 1psy n LEU 48 CO 0.17 1.01 0.27 -1.14 -0.00 0.00 0.00 177.39 177.70 1psy n ARG 49 N 0.01 0.89 0.00 1.47 0.00 -1.18 -4.39 116.66 113.45 1psy n ARG 49 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 1psy n ARG 49 Cb 0.56 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.67 1psy n ARG 49 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1psy n MET 50 N 0.17 0.00 0.00 -0.14 2.81 -1.26 -5.07 117.12 113.63 1psy n MET 50 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1psy n MET 50 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 1psy n MET 50 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1psy n PRO 51 N 0.00 0.00 0.00 0.03 -0.04 -1.26 -4.82 135.00 128.91 1psy n PRO 51 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1psy n PRO 51 Cb 0.00 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 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 2.16 0.49 0.33 0.55 0.00 -1.26 -4.38 105.19 103.09 1psy n GLY 52 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.85 -2.97 1.61 3.32 -1.95 -3.44 116.42 113.83 1psy h ASP 53 Ca 0.00 0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.52 1psy h ASP 53 Cb 0.00 -0.15 0.20 0.00 0.22 0.00 0.00 39.33 39.61 1psy h ASP 53 CO 0.00 0.52 -0.75 -0.62 -1.72 0.00 0.00 179.24 176.66 1psy n GLU 54 N -4.63 0.05 -2.76 3.56 1.02 -1.26 -4.21 120.64 112.41 1psy n GLU 54 Ca 0.14 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1psy n GLU 54 Cb 0.23 -1.63 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1psy n GLU 54 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1psy n ASN 55 N 0.26 -5.84 -4.29 1.62 2.85 -1.26 -4.96 115.26 103.63 1psy n ASN 55 Ca 0.07 1.28 -0.34 0.00 -0.11 0.00 0.00 54.58 55.48 1psy n ASN 55 Cb 0.52 -4.71 0.11 0.00 1.24 0.00 0.00 39.78 36.94 1psy n ASN 55 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1psy n GLN 56 N 1.14 -0.45 -1.31 1.20 0.00 -1.26 -4.67 117.38 112.02 1psy n GLN 56 Ca -0.11 -0.11 -0.61 0.00 -0.00 0.00 0.00 57.00 56.17 1psy n GLN 56 Cb 0.23 -1.63 -0.12 0.00 0.00 0.00 0.00 30.24 28.73 1psy n GLN 56 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1psy n GLN 57 N -0.77 0.02 -3.56 3.69 7.27 -1.26 -4.90 117.38 117.88 1psy n GLN 57 Ca 0.04 0.01 -0.17 0.00 0.07 0.00 0.00 57.00 56.94 1psy n GLN 57 Cb 0.57 -1.52 -0.06 0.00 2.41 0.00 0.00 30.24 31.63 1psy n GLN 57 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1psy s GLN 58 N 5.65 1.01 -1.17 3.69 0.74 -1.26 -5.08 119.66 123.24 1psy s GLN 58 Ca 1.18 0.14 -0.06 0.00 0.05 0.00 0.00 55.36 56.67 1psy s GLN 58 Cb -1.49 0.47 0.25 0.00 1.10 0.00 0.00 33.01 33.34 1psy s GLN 58 CO 0.68 -0.32 1.70 -0.85 -0.55 0.00 0.00 175.29 175.95 1psy n GLU 59 N 0.89 4.23 -3.09 1.67 0.28 -1.26 -4.80 120.64 118.57 1psy n GLU 59 Ca -0.19 -4.12 0.04 0.00 -0.16 0.00 0.00 57.16 52.73 1psy n GLU 59 Cb 0.57 -2.67 0.00 0.00 1.43 0.00 0.00 31.44 30.77 1psy n GLU 59 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1psy s SER 60 N -0.68 -0.69 0.53 -1.84 0.15 -1.26 -5.00 113.70 104.90 1psy s SER 60 Ca 0.36 -0.01 0.26 0.00 0.70 0.00 0.00 55.95 57.26 1psy s SER 60 Cb 0.08 1.31 1.46 0.00 -1.71 0.00 0.00 66.02 67.16 1psy s SER 60 CO 0.05 -0.12 2.10 0.06 1.20 0.00 0.00 173.24 176.53 1psy h GLN 61 N 7.08 0.00 0.05 5.44 3.07 -2.00 -2.15 115.11 126.60 1psy h GLN 61 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.61 1psy h GLN 61 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.76 1psy h GLN 61 CO -0.04 0.11 -0.33 1.96 0.09 0.00 0.00 178.83 180.61 1psy h GLN 62 N 0.00 0.11 -0.21 0.06 4.20 -1.98 -3.22 115.11 114.06 1psy h GLN 62 Ca -0.00 -0.20 0.06 0.00 0.06 0.00 0.00 58.65 58.57 1psy h GLN 62 Cb 0.27 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1psy h GLN 62 CO 0.01 1.09 0.16 -0.07 -0.67 0.00 0.00 178.83 179.36 1psy h LEU 63 N -0.76 0.00 -1.32 1.46 -0.00 -1.95 0.11 115.31 112.86 1psy h LEU 63 Ca -0.06 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.89 1psy h LEU 63 Cb 1.25 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.86 1psy h LEU 63 CO 0.05 0.00 0.51 -0.61 -0.00 0.00 0.00 178.44 178.39 1psy h GLN 64 N 0.00 0.79 -0.68 1.13 4.15 -1.43 0.89 115.11 119.96 1psy h GLN 64 Ca 0.10 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 1psy h GLN 64 Cb 0.43 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1psy h GLN 64 CO -0.00 0.52 0.22 0.37 -1.93 0.00 0.00 178.83 178.01 1psy h GLN 65 N 0.81 1.06 -0.08 1.69 -0.00 -0.79 0.24 115.11 118.04 1psy h GLN 65 Ca 0.34 -0.23 -0.04 0.00 -0.00 0.00 0.00 58.65 58.73 1psy h GLN 65 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 1psy h GLN 65 CO -0.12 0.91 -0.09 0.00 0.00 0.00 0.00 178.83 179.53 1psy h ASN 68 N 1.24 0.00 0.01 0.00 -0.26 -0.47 -2.25 115.58 113.86 1psy h ASN 68 Ca 0.38 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.11 1psy h ASN 68 Cb -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1psy h ASN 68 CO -0.11 0.55 -0.01 1.56 -1.06 0.00 0.00 177.43 178.37 1psy h GLN 69 N 0.00 -0.02 -0.04 0.81 1.08 0.70 -3.13 115.11 114.51 1psy h GLN 69 Ca -0.01 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1psy h GLN 69 Cb 0.98 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1psy h GLN 69 CO 0.07 0.76 0.06 0.28 -0.95 0.00 0.00 178.83 179.05 1psy h VAL 70 N -0.93 0.31 0.00 -0.54 2.07 -0.47 0.77 116.25 117.46 1psy h VAL 70 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1psy h VAL 70 Cb 0.78 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1psy h VAL 70 CO 0.00 0.00 0.00 0.50 0.02 0.00 0.00 177.57 178.09 1psy h LYS 71 N 0.00 0.00 -0.02 1.57 1.63 -1.34 -1.44 116.57 116.96 1psy h LYS 71 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1psy h LYS 71 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 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 -2.46 1.91 -1.93 1.90 1.13 0.26 -4.97 117.38 113.22 1psy n GLN 72 Ca 0.00 -1.32 -0.40 0.00 -1.94 0.00 0.00 57.00 53.34 1psy n GLN 72 Cb 0.17 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.05 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 -1.99 2.34 0.00 5.09 1.01 -0.55 -4.52 120.40 121.78 1psy s VAL 73 Ca 0.34 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1psy s VAL 73 Cb 0.21 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1psy s VAL 73 CO 0.32 0.04 0.86 0.54 0.00 0.00 0.00 175.10 176.87 1psy n ARG 74 N -0.03 0.00 0.00 2.72 5.12 -1.26 -5.01 116.66 118.20 1psy n ARG 74 Ca 0.04 0.48 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 1psy n ARG 74 Cb 0.43 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 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 -1.80 0.00 0.00 0.55 8.00 -1.26 -4.87 116.55 117.17 1psy n ASP 75 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1psy n ASP 75 Cb 0.00 0.00 0.74 0.00 -0.02 0.00 0.00 41.12 41.84 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1psy n GLU 76 N 0.00 0.60 0.00 -1.24 0.28 -1.26 -2.48 120.64 116.54 1psy n GLU 76 Ca 0.00 0.02 0.15 0.00 -0.16 0.00 0.00 57.16 57.17 1psy n GLU 76 Cb 0.00 -1.50 0.71 0.00 1.43 0.00 0.00 31.44 32.08 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 0.45 -0.32 0.57 0.00 4.20 -1.75 0.18 115.11 118.43 1psy h GLN 78 Ca 0.00 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1psy h GLN 78 Cb 0.27 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1psy h GLN 78 CO 0.00 -0.22 -0.31 0.00 -0.67 0.00 0.00 178.83 177.64 1psy h GLU 80 N -0.81 0.01 0.41 0.00 4.81 -1.71 0.27 114.58 117.56 1psy h GLU 80 Ca -0.07 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1psy h GLU 80 Cb 0.64 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1psy h GLU 80 CO 0.10 0.01 -0.20 0.00 -0.73 0.00 0.00 179.01 178.19 1psy h ALA 81 N 1.70 -0.55 -0.56 2.92 0.00 -0.26 -2.21 119.26 120.30 1psy h ALA 81 Ca 0.87 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.73 1psy h ALA 81 Cb 2.67 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 20.64 1psy h ALA 81 CO -0.54 -0.72 0.38 0.82 0.00 0.00 0.00 179.25 179.19 1psy h ILE 82 N -0.73 0.82 0.00 0.00 1.08 -0.38 0.49 117.51 118.79 1psy h ILE 82 Ca -0.06 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1psy h ILE 82 Cb 0.51 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1psy h ILE 82 CO 0.09 0.04 0.00 0.29 -0.69 0.00 0.00 178.15 177.88 1psy n LYS 83 N -4.44 0.17 0.00 2.37 4.76 -0.08 -1.74 118.16 119.20 1psy n LYS 83 Ca 0.10 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 1psy n LYS 83 Cb 0.47 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.19 0.00 0.05 2.13 9.36 0.17 -4.65 117.16 122.03 1psy n TYR 84 Ca 0.02 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 1psy n TYR 84 Cb 0.20 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.85 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 0.00 0.79 0.00 2.97 6.09 -0.26 0.31 117.51 127.41 1psy h ILE 85 Ca 0.00 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 63.38 1psy h ILE 85 Cb 0.00 0.79 -0.04 0.00 0.47 0.00 0.00 36.82 38.04 1psy h ILE 85 CO 0.00 0.00 -0.21 0.00 -3.07 0.00 0.00 178.15 174.87 1psy n ALA 86 N -2.31 5.26 0.00 0.18 0.00 -0.71 -3.33 120.51 119.60 1psy n ALA 86 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1psy n ALA 86 Cb 0.13 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 2.18 0.00 0.08 0.00 4.07 -1.03 -4.79 120.64 121.16 1psy n GLU 87 Ca 0.26 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.24 1psy n GLU 87 Cb 0.72 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.04 1psy n GLU 87 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1psy h ASP 88 N 0.00 -0.30 -0.00 4.31 3.58 -0.39 0.98 116.42 124.60 1psy h ASP 88 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1psy h ASP 88 Cb 0.00 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1psy h ASP 88 CO 0.00 -0.16 0.01 0.06 -2.88 0.00 0.00 179.24 176.27 1psy h GLN 89 N -0.22 0.00 -0.01 0.28 3.07 -1.80 0.40 115.11 116.84 1psy h GLN 89 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.66 1psy h GLN 89 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.80 1psy h GLN 89 CO -0.06 0.00 -0.40 0.82 0.09 0.00 0.00 178.83 179.28 1psy h ILE 90 N 0.00 1.49 -0.10 1.86 1.08 -1.16 0.11 117.51 120.79 1psy h ILE 90 Ca 0.00 -1.98 -0.21 0.00 -0.39 0.00 0.00 64.86 62.28 1psy h ILE 90 Cb 0.02 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1psy h ILE 90 CO -0.00 0.56 -0.78 1.56 -0.69 0.00 0.00 178.15 178.80 1psy h GLN 91 N -0.31 0.59 0.13 2.37 4.20 -0.17 -3.21 115.11 118.70 1psy h GLN 91 Ca -0.05 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 1psy h GLN 91 Cb 1.13 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1psy h GLN 91 CO 0.08 1.12 -0.06 0.37 -0.67 0.00 0.00 178.83 179.67 1psy h GLN 92 N 0.39 -0.17 -7.06 1.46 4.15 -0.33 -3.46 115.11 110.09 1psy h GLN 92 Ca -0.05 0.01 -0.38 0.00 0.77 0.00 0.00 58.65 59.00 1psy h GLN 92 Cb 1.39 0.04 0.21 0.00 0.21 0.00 0.00 27.48 29.34 1psy h GLN 92 CO 0.15 0.21 -0.10 0.20 -1.93 0.00 0.00 178.83 177.36 1psy s GLY 93 N -3.44 1.42 0.00 2.39 0.00 0.38 -4.89 107.32 103.19 1psy s GLY 93 Ca -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1psy s GLY 93 CO 0.36 0.16 0.78 -1.06 0.00 0.00 0.00 173.10 173.34 1psy n GLN 94 N -5.61 0.90 -3.06 2.90 6.02 -1.26 -4.78 117.38 112.49 1psy n GLN 94 Ca 0.13 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.67 1psy n GLN 94 Cb 0.60 -1.15 -0.02 0.00 1.02 0.00 0.00 30.24 30.69 1psy n GLN 94 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1psy s LEU 95 N 0.00 5.61 0.21 1.08 2.01 -1.21 -4.92 118.68 121.46 1psy s LEU 95 Ca 0.00 -2.33 -0.12 0.00 0.01 0.00 0.00 54.13 51.70 1psy s LEU 95 Cb 0.00 -2.34 -0.00 0.00 0.01 0.00 0.00 46.19 43.86 1psy s LEU 95 CO 0.00 -0.88 0.41 -1.00 1.01 0.00 0.00 176.35 175.89 1psy s HIS 96 N 1.76 0.34 0.00 0.29 3.76 -1.26 -4.51 115.29 115.68 1psy s HIS 96 Ca 0.29 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1psy s HIS 96 Cb -0.06 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.74 1psy s HIS 96 CO -0.09 -0.89 0.00 0.41 -0.85 0.00 0.00 174.74 173.32 1psy n GLY 97 N -0.32 2.43 1.49 -2.22 0.00 -1.26 -3.28 105.19 102.02 1psy n GLY 97 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.42 0.00 1.61 2.13 -1.26 -4.92 120.64 118.62 1psy n GLU 98 Ca 0.00 -0.91 0.00 0.00 0.66 0.00 0.00 57.16 56.91 1psy n GLU 98 Cb 0.00 0.45 0.00 0.00 0.27 0.00 0.00 31.44 32.16 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 -0.47 1.90 0.17 5.31 0.28 -1.21 -4.64 120.64 121.98 1psy n GLU 99 Ca -0.21 -0.30 0.04 0.00 -0.16 0.00 0.00 57.16 56.53 1psy n GLU 99 Cb 0.70 -0.79 0.27 0.00 1.43 0.00 0.00 31.44 33.05 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 0.00 0.65 -1.84 4.64 -1.79 -3.10 113.55 112.12 1psy h SER 100 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1psy h SER 100 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1psy h SER 100 CO 0.00 0.45 -0.50 -0.08 -0.87 0.00 0.00 176.83 175.83 1psy h GLU 101 N 0.00 0.00 0.00 4.77 4.57 -1.95 -2.27 114.58 119.70 1psy h GLU 101 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1psy h GLU 101 Cb 0.99 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1psy h GLU 101 CO 0.06 0.50 -0.16 0.07 -1.18 0.00 0.00 179.01 178.30 1psy h ARG 102 N 0.00 0.00 0.00 1.92 0.11 -1.84 -2.03 114.38 112.55 1psy h ARG 102 Ca -0.01 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.87 1psy h ARG 102 Cb 0.96 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.01 1psy h ARG 102 CO 0.07 0.16 -1.07 0.28 0.10 0.00 0.00 179.97 179.51 1psy h VAL 103 N 0.00 1.32 -0.48 0.08 2.07 -1.51 -3.24 116.25 114.48 1psy h VAL 103 Ca -0.00 -2.98 -0.07 0.00 0.82 0.00 0.00 66.70 64.47 1psy h VAL 103 Cb 0.44 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1psy h VAL 103 CO 0.02 0.75 0.02 0.00 0.02 0.00 0.00 177.57 178.38 1psy h ALA 104 N 1.12 0.65 -0.66 1.67 0.00 -1.16 -2.12 119.26 118.75 1psy h ALA 104 Ca -0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1psy h ALA 104 Cb 1.73 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1psy h ALA 104 CO 0.10 0.44 0.24 -0.56 0.00 0.00 0.00 179.25 179.47 1psy h GLN 105 N 0.70 0.99 -0.02 0.00 3.07 -1.58 -2.05 115.11 116.22 1psy h GLN 105 Ca 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 58.65 58.66 1psy h GLN 105 Cb 0.48 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.87 1psy h GLN 105 CO 0.02 0.83 -0.16 0.00 0.09 0.00 0.00 178.83 179.61 1psy h ARG 106 N 0.97 0.03 -0.05 0.06 -0.00 -1.51 -2.40 114.38 111.49 1psy h ARG 106 Ca 0.22 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.68 1psy h ARG 106 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.19 1psy h ARG 106 CO -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 179.97 180.12 1psy h ALA 107 N 1.81 0.07 -1.23 0.04 0.00 -0.72 -3.23 119.26 115.99 1psy h ALA 107 Ca 0.01 -0.25 0.37 0.00 0.00 0.00 0.00 54.91 55.04 1psy h ALA 107 Cb 0.30 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 1psy h ALA 107 CO 0.02 -0.17 0.81 0.78 0.00 0.00 0.00 179.25 180.69 1psy h GLY 108 N -0.32 1.06 0.12 0.00 0.00 -0.89 0.16 103.07 103.21 1psy h GLY 108 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.24 1psy h GLY 108 CO 0.01 -0.24 -0.42 0.83 0.00 0.00 0.00 176.54 176.72 1psy h GLU 109 N 0.19 -0.54 0.00 4.80 5.08 -1.54 0.95 114.58 123.52 1psy h GLU 109 Ca 0.71 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 59.02 1psy h GLU 109 Cb 2.19 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.55 1psy h GLU 109 CO -0.31 -0.36 -0.42 0.82 -1.00 0.00 0.00 179.01 177.74 1psy h ILE 110 N -0.56 1.20 0.95 3.13 1.08 -0.89 -2.45 117.51 119.97 1psy h ILE 110 Ca 0.05 -1.50 -0.05 0.00 -0.39 0.00 0.00 64.86 62.97 1psy h ILE 110 Cb 0.65 1.83 0.01 0.00 -3.07 0.00 0.00 36.82 36.24 1psy h ILE 110 CO -0.33 0.42 -0.46 0.58 -0.69 0.00 0.00 178.15 177.67 1psy h VAL 111 N 0.00 0.05 -0.32 1.67 2.07 -0.60 0.18 116.25 119.30 1psy h VAL 111 Ca -0.00 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1psy h VAL 111 Cb 0.80 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1psy h VAL 111 CO 0.06 0.00 0.31 -1.28 0.02 0.00 0.00 177.57 176.68 1psy h SER 112 N -1.30 0.00 0.00 0.57 0.87 -0.77 -0.68 113.55 112.24 1psy h SER 112 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1psy h SER 112 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1psy h SER 112 CO 0.21 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.31 1psy n SER 113 N -3.88 0.00 -1.32 6.23 7.64 -0.85 -4.85 113.62 116.57 1psy n SER 113 Ca 0.05 0.28 -0.01 0.00 1.01 0.00 0.00 58.87 60.21 1psy n SER 113 Cb 0.47 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.25 3.96 3.55 0.00 0.00 0.36 -4.32 105.19 108.99 1psy n GLY 115 Ca -0.08 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.31 3.35 0.00 1.61 0.11 -0.37 -4.20 120.40 118.59 1psy s VAL 116 Ca 0.32 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 1psy s VAL 116 Cb 0.32 -3.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1psy s VAL 116 CO -0.06 -0.85 0.00 0.54 -3.33 0.00 0.00 175.10 171.40 1psy n ARG 117 N 9.13 0.00 0.00 1.54 5.12 -1.22 -4.78 116.66 126.46 1psy n ARG 117 Ca 0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1psy n ARG 117 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 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 -0.00 2.13 0.00 0.00 2.81 -1.26 -4.91 117.12 115.89 1psy n MET 119 Ca 0.00 -1.65 0.00 0.00 -1.81 0.00 0.00 57.70 54.24 1psy n MET 119 Cb 0.05 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 0.98 0.00 -3.95 0.03 0.63 -1.26 -4.90 116.66 108.19 1psy n ARG 120 Ca 0.16 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.74 1psy n ARG 120 Cb 0.52 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.30 1psy n ARG 120 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1psy s GLN 121 N 0.50 3.59 0.05 -0.14 -1.52 -1.26 -4.94 119.66 115.94 1psy s GLN 121 Ca 0.00 -0.53 -0.11 0.00 -1.95 0.00 0.00 55.36 52.77 1psy s GLN 121 Cb 0.00 -3.14 -0.06 0.00 -0.22 0.00 0.00 33.01 29.60 1psy s GLN 121 CO 0.00 -0.08 0.40 0.95 -0.25 0.00 0.00 175.29 176.31 1psy s THR 122 N 1.25 5.07 -0.02 -0.19 -4.23 -1.19 -3.37 115.64 112.97 1psy s THR 122 Ca 0.04 0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 60.82 1psy s THR 122 Cb -0.15 -3.66 0.11 0.00 1.34 0.00 0.00 72.50 70.15 1psy s THR 122 CO 0.01 0.38 1.29 -0.60 -0.54 0.00 0.00 174.62 175.17 1psy s ARG 123 N -1.66 0.38 -0.23 3.99 6.06 -1.26 -5.07 118.95 121.16 1psy s ARG 123 Ca 0.30 -0.22 -0.03 0.00 -2.50 0.00 0.00 55.73 53.28 1psy s ARG 123 Cb -0.15 0.12 0.11 0.00 0.06 0.00 0.00 34.95 35.09 1psy s ARG 123 CO 0.16 -0.18 0.24 0.95 -2.50 0.00 0.00 175.30 173.98 1psy s THR 124 N -2.26 -0.35 -0.52 4.11 -4.23 -1.26 -4.60 115.64 106.52 1psy s THR 124 Ca 0.19 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 1psy s THR 124 Cb 0.03 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 73.11 1psy s THR 124 CO -0.03 -0.28 0.13 0.59 -0.54 0.00 0.00 174.62 174.49