#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 -3.55 0.00 4.07 -1.26 -5.17 120.64 114.73 1psy n GLU 2 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1psy n GLU 2 Cb 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.40 1psy n GLU 2 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1psy n PHE 3 N -2.57 -2.12 -1.42 4.31 3.72 -1.26 -5.08 117.46 113.03 1psy n PHE 3 Ca 0.00 -1.76 -0.46 0.00 -0.05 0.00 0.00 57.45 55.18 1psy n PHE 3 Cb 0.00 0.80 -0.14 0.00 -0.94 0.00 0.00 39.48 39.20 1psy n PHE 3 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1psy n MET 4 N -0.49 0.00 0.00 -1.08 2.81 -1.26 -4.79 117.12 112.31 1psy n MET 4 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1psy n MET 4 Cb 0.54 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1psy n MET 4 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1psy n GLU 5 N 8.17 0.00 0.00 0.03 1.02 -1.26 -5.17 120.64 123.44 1psy n GLU 5 Ca 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1psy n GLU 5 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 1psy n GLU 5 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1psy n SER 6 N 0.00 0.00 -3.66 1.62 2.88 -1.26 -5.02 113.62 108.18 1psy n SER 6 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1psy n SER 6 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1psy n SER 6 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1psy s LYS 7 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -5.11 119.74 111.92 1psy s LYS 7 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 55.97 56.45 1psy s LYS 7 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 37.83 37.42 1psy s LYS 7 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.35 175.43 1psy n GLY 8 N 5.32 -2.38 3.73 0.59 0.00 -1.26 -4.71 105.19 106.47 1psy n GLY 8 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1psy n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1psy s GLU 9 N 0.00 4.30 0.97 1.61 2.02 -1.26 -4.99 118.70 121.36 1psy s GLU 9 Ca 0.00 2.19 -0.11 0.00 0.02 0.00 0.00 54.97 57.07 1psy s GLU 9 Cb 0.00 -3.18 0.18 0.00 0.10 0.00 0.00 34.13 31.23 1psy s GLU 9 CO 0.00 -0.42 1.11 0.50 0.02 0.00 0.00 175.26 176.47 1psy s ARG 10 N 0.42 0.55 0.34 1.61 3.52 -1.26 -5.06 118.95 119.06 1psy s ARG 10 Ca 0.62 1.35 0.02 0.00 -0.13 0.00 0.00 55.73 57.60 1psy s ARG 10 Cb -0.39 -1.69 -0.01 0.00 -1.56 0.00 0.00 34.95 31.30 1psy s ARG 10 CO 0.36 -2.89 0.38 -2.00 -0.81 0.00 0.00 175.30 170.34 1psy s GLU 11 N -4.61 1.84 -0.79 5.12 2.12 -1.26 -5.07 118.70 116.06 1psy s GLU 11 Ca 0.67 -1.89 -0.23 0.00 0.36 0.00 0.00 54.97 53.88 1psy s GLU 11 Cb -0.23 0.39 -0.17 0.00 0.26 0.00 0.00 34.13 34.38 1psy s GLU 11 CO 0.60 -0.73 2.39 0.41 -0.54 0.00 0.00 175.26 177.39 1psy n GLY 12 N -0.59 -0.17 2.47 -1.50 0.00 -1.26 -4.81 105.19 99.32 1psy n GLY 12 Ca 0.04 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 15.52 7.17 -3.55 1.61 2.88 -1.26 -4.84 113.62 131.15 1psy n SER 13 Ca 0.50 -3.16 -0.15 0.00 -1.33 0.00 0.00 58.87 54.73 1psy n SER 13 Cb 0.38 -1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 62.48 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 0.41 -0.55 0.48 -3.46 1.04 -1.26 -4.97 113.70 105.38 1psy s SER 14 Ca 0.57 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1psy s SER 14 Cb 0.29 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1psy s SER 14 CO -0.16 -0.48 0.00 -0.24 0.98 0.00 0.00 173.24 173.34 1psy n SER 15 N 0.98 -0.95 -0.34 7.02 2.88 -1.26 -4.78 113.62 117.16 1psy n SER 15 Ca -0.15 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.52 1psy n SER 15 Cb 0.57 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.30 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 -0.95 -0.08 -2.19 -1.46 7.27 -1.26 -4.00 117.38 114.71 1psy n GLN 16 Ca 0.00 1.47 -0.02 0.00 0.07 0.00 0.00 57.00 58.52 1psy n GLN 16 Cb 0.00 -2.32 0.01 0.00 2.41 0.00 0.00 30.24 30.34 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 -5.48 0.28 0.15 3.69 7.27 -1.26 -5.03 117.38 117.00 1psy n GLN 17 Ca 0.22 -0.52 -0.12 0.00 0.07 0.00 0.00 57.00 56.65 1psy n GLN 17 Cb 0.71 0.05 -0.07 0.00 2.41 0.00 0.00 30.24 33.34 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 -0.86 0.01 0.00 0.00 2.43 -1.93 0.69 114.38 114.72 1psy h ARG 19 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1psy h ARG 19 Cb 0.52 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1psy h ARG 19 CO 0.07 0.01 0.00 0.94 -1.51 0.00 0.00 179.97 179.48 1psy n GLN 20 N -4.11 0.00 0.15 0.20 7.27 -1.20 -2.40 117.38 117.29 1psy n GLN 20 Ca 0.40 0.01 0.17 0.00 0.07 0.00 0.00 57.00 57.66 1psy n GLN 20 Cb 1.79 -0.83 0.78 0.00 2.41 0.00 0.00 30.24 34.39 1psy n GLN 20 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1psy h GLU 21 N 0.00 0.00 -0.81 3.69 4.39 -1.12 -0.06 114.58 120.67 1psy h GLU 21 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1psy h GLU 21 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1psy h GLU 21 CO 0.00 0.00 0.53 0.28 -1.16 0.00 0.00 179.01 178.66 1psy h VAL 22 N 0.00 1.10 0.00 3.13 2.07 0.21 0.59 116.25 123.35 1psy h VAL 22 Ca 0.13 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1psy h VAL 22 Cb 0.63 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1psy h VAL 22 CO -0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1psy n GLN 23 N -4.46 0.24 -0.25 1.57 10.64 -0.04 -1.87 117.38 123.21 1psy n GLN 23 Ca 0.11 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1psy n GLN 23 Cb 0.15 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 1psy n GLN 23 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1psy n ARG 24 N -1.21 0.04 0.04 2.61 1.74 0.44 -4.90 116.66 115.42 1psy n ARG 24 Ca 0.07 -0.78 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 1psy n ARG 24 Cb 0.09 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 1psy n ARG 24 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1psy n LYS 25 N -0.02 0.00 -1.58 5.56 4.81 0.18 -5.04 118.16 122.07 1psy n LYS 25 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.15 1psy n LYS 25 Cb 0.60 -0.01 0.18 0.00 0.02 0.00 0.00 35.03 35.82 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 -4.33 2.72 0.00 3.14 1.11 -0.78 -4.51 116.67 114.02 1psy s ASP 26 Ca 0.00 0.60 0.00 0.00 0.18 0.00 0.00 52.55 53.33 1psy s ASP 26 Cb 0.00 -0.88 0.00 0.00 1.07 0.00 0.00 42.92 43.11 1psy s ASP 26 CO 0.00 -3.01 0.00 0.18 1.18 0.00 0.00 175.17 173.52 1psy n LEU 27 N -4.01 0.00 -0.76 1.23 7.99 -1.26 -4.67 117.00 115.53 1psy n LEU 27 Ca 0.12 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.17 1psy n LEU 27 Cb 0.59 0.00 0.10 0.00 -0.11 0.00 0.00 43.42 44.01 1psy n LEU 27 CO 0.50 0.00 0.29 -1.54 -1.51 0.00 0.00 177.39 175.13 1psy n SER 28 N 0.00 1.33 0.00 -1.43 3.41 -1.26 -4.74 113.62 110.93 1psy n SER 28 Ca 0.00 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1psy n SER 28 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 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 -0.50 0.00 0.13 4.04 2.88 -1.26 -4.92 113.62 113.99 1psy n SER 29 Ca 0.11 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.58 1psy n SER 29 Cb 0.82 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.24 1psy n SER 29 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1psy h GLU 31 N -0.42 0.67 -0.60 0.00 4.22 -1.91 -0.96 114.58 115.58 1psy h GLU 31 Ca -0.03 -0.04 0.17 0.00 0.08 0.00 0.00 59.36 59.54 1psy h GLU 31 Cb 0.36 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1psy h GLU 31 CO -0.01 0.45 0.45 -0.09 -2.18 0.00 0.00 179.01 177.63 1psy h ARG 32 N 0.69 0.00 0.46 1.92 9.65 -1.80 -0.13 114.38 125.17 1psy h ARG 32 Ca 0.34 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.21 1psy h ARG 32 Cb 0.28 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1psy h ARG 32 CO -0.22 0.00 -0.40 -0.92 2.80 0.00 0.00 179.97 181.23 1psy h TYR 33 N 0.00 -1.08 0.00 2.20 3.20 0.17 0.48 116.97 121.94 1psy h TYR 33 Ca 0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1psy h TYR 33 Cb 1.18 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.86 1psy h TYR 33 CO 0.00 -0.56 0.00 1.37 -1.64 0.00 0.00 178.16 177.33 1psy h LEU 34 N -0.86 0.00 -0.38 2.82 8.10 -1.42 -2.63 115.31 120.95 1psy h LEU 34 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1psy h LEU 34 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.96 1psy h LEU 34 CO -0.03 0.00 -0.02 -1.14 -4.11 0.00 0.00 178.44 173.14 1psy n ARG 35 N -3.09 1.15 -0.38 0.17 0.63 -0.12 -4.93 116.66 110.08 1psy n ARG 35 Ca 0.02 -0.38 0.00 0.00 -0.92 0.00 0.00 57.85 56.57 1psy n ARG 35 Cb 0.40 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1psy n ARG 35 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1psy n GLN 36 N -0.60 0.00 -2.21 -0.14 7.27 0.16 -4.98 117.38 116.88 1psy n GLN 36 Ca 0.20 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.01 1psy n GLN 36 Cb 0.23 0.00 0.16 0.00 2.41 0.00 0.00 30.24 33.04 1psy n GLN 36 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1psy n SER 37 N -0.46 0.73 -3.98 1.69 7.64 -1.26 -4.81 113.62 113.17 1psy n SER 37 Ca 0.00 -1.81 -0.30 0.00 1.01 0.00 0.00 58.87 57.77 1psy n SER 37 Cb 0.00 -0.82 -0.16 0.00 -1.01 0.00 0.00 64.21 62.22 1psy n SER 37 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1psy s SER 38 N -5.41 3.20 -0.28 6.43 1.04 -1.26 -4.73 113.70 112.69 1psy s SER 38 Ca 0.70 -0.80 -0.18 0.00 0.48 0.00 0.00 55.95 56.15 1psy s SER 38 Cb -0.03 -1.17 0.11 0.00 0.10 0.00 0.00 66.02 65.03 1psy s SER 38 CO 0.48 -0.14 0.87 -0.55 0.98 0.00 0.00 173.24 174.88 1psy s SER 39 N 1.45 -0.66 0.50 7.02 0.15 -1.26 -5.11 113.70 115.79 1psy s SER 39 Ca -0.00 1.11 -0.23 0.00 0.70 0.00 0.00 55.95 57.52 1psy s SER 39 Cb -0.16 1.23 -0.07 0.00 -1.71 0.00 0.00 66.02 65.32 1psy s SER 39 CO -0.08 -0.18 1.38 0.00 1.20 0.00 0.00 173.24 175.56 1psy s ARG 40 N 1.15 3.43 0.27 5.44 3.03 -1.26 -5.01 118.95 126.00 1psy s ARG 40 Ca -0.06 2.31 -0.04 0.00 2.03 0.00 0.00 55.73 59.96 1psy s ARG 40 Cb -0.04 -2.46 0.06 0.00 -1.03 0.00 0.00 34.95 31.48 1psy s ARG 40 CO -0.14 -0.99 0.15 0.54 -1.13 0.00 0.00 175.30 173.73 1psy n ARG 41 N -0.60 -1.68 -1.22 3.89 3.00 -1.26 -4.71 116.66 114.08 1psy n ARG 41 Ca 0.08 -0.24 -0.27 0.00 -0.01 0.00 0.00 57.85 57.41 1psy n ARG 41 Cb 0.44 -0.36 -0.11 0.00 0.00 0.00 0.00 32.46 32.42 1psy n ARG 41 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1psy n SER 42 N -2.75 1.35 -3.84 0.55 3.41 -1.26 -4.82 113.62 106.27 1psy n SER 42 Ca 0.02 -2.51 -0.12 0.00 -0.26 0.00 0.00 58.87 56.00 1psy n SER 42 Cb 0.10 -1.29 -0.13 0.00 -0.26 0.00 0.00 64.21 62.64 1psy n SER 42 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1psy s THR 43 N 13.09 0.01 0.00 6.66 -4.23 -1.26 -5.14 115.64 124.76 1psy s THR 43 Ca 0.76 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1psy s THR 43 Cb 0.03 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.70 1psy s THR 43 CO 0.24 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1psy n GLY 44 N 2.92 -0.20 2.68 3.99 0.00 -1.26 -4.99 105.19 108.34 1psy n GLY 44 Ca -0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 1.19 -2.25 1.61 0.00 -1.26 -4.91 120.64 115.02 1psy n GLU 45 Ca 0.00 -2.54 0.02 0.00 0.00 0.00 0.00 57.16 54.64 1psy n GLU 45 Cb 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 31.44 30.83 1psy n GLU 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1psy n GLU 46 N -0.36 0.97 -0.48 5.31 2.13 -1.26 -4.87 120.64 122.09 1psy n GLU 46 Ca 0.03 -2.83 -0.08 0.00 0.66 0.00 0.00 57.16 54.94 1psy n GLU 46 Cb 0.83 -0.89 0.09 0.00 0.27 0.00 0.00 31.44 31.74 1psy n GLU 46 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1psy n VAL 47 N -0.13 1.77 0.21 6.31 3.14 -1.26 -4.33 118.33 124.04 1psy n VAL 47 Ca 0.06 -0.74 0.14 0.00 -2.96 0.00 0.00 64.34 60.84 1psy n VAL 47 Cb 0.95 -0.73 0.74 0.00 -1.06 0.00 0.00 33.84 33.75 1psy n VAL 47 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1psy h LEU 48 N 1.10 0.00 -9.68 6.55 8.10 -2.00 -3.41 115.31 115.97 1psy h LEU 48 Ca 0.22 0.00 -0.51 0.00 0.11 0.00 0.00 57.88 57.70 1psy h LEU 48 Cb 1.65 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.87 1psy h LEU 48 CO 0.41 0.00 0.41 -0.13 -4.11 0.00 0.00 178.44 175.02 1psy s ARG 49 N -3.70 4.70 0.28 0.17 3.00 -1.26 -4.97 118.95 117.18 1psy s ARG 49 Ca -0.03 1.59 -0.15 0.00 0.00 0.00 0.00 55.73 57.14 1psy s ARG 49 Cb 0.08 -3.29 0.01 0.00 0.00 0.00 0.00 34.95 31.75 1psy s ARG 49 CO 0.25 0.26 0.60 -1.64 0.00 0.00 0.00 175.30 174.77 1psy s MET 50 N -0.64 1.75 -0.48 3.54 -1.94 -1.26 -5.04 119.30 115.23 1psy s MET 50 Ca 0.46 -1.23 -0.05 0.00 -1.71 0.00 0.00 55.69 53.15 1psy s MET 50 Cb -0.27 0.54 -0.14 0.00 2.01 0.00 0.00 34.83 36.97 1psy s MET 50 CO 0.33 -0.77 2.57 -0.35 -0.01 0.00 0.00 175.02 176.79 1psy n PRO 51 N -0.44 1.91 0.00 2.03 -0.04 -1.26 -4.43 135.00 132.76 1psy n PRO 51 Ca -0.03 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1psy n PRO 51 Cb 0.61 -2.15 0.00 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 3.09 -0.97 0.42 0.55 0.00 -1.26 -5.00 105.19 102.03 1psy n GLY 52 Ca 0.41 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1psy n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1psy n ASP 53 N 0.00 -0.47 -4.31 1.61 2.03 -1.26 -5.08 116.55 109.06 1psy n ASP 53 Ca 0.00 0.31 -0.41 0.00 0.52 0.00 0.00 54.79 55.22 1psy n ASP 53 Cb 0.00 0.69 -0.10 0.00 -0.72 0.00 0.00 41.12 40.99 1psy n ASP 53 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1psy s GLU 54 N -2.00 2.71 -0.25 -0.67 2.12 -1.26 -4.86 118.70 114.49 1psy s GLU 54 Ca 0.00 -1.31 0.11 0.00 0.36 0.00 0.00 54.97 54.13 1psy s GLU 54 Cb 0.00 -3.78 0.49 0.00 0.26 0.00 0.00 34.13 31.10 1psy s GLU 54 CO 0.00 -0.86 1.41 0.27 -0.54 0.00 0.00 175.26 175.54 1psy n ASN 55 N 4.96 2.62 -4.37 -1.70 0.23 -1.26 -5.03 115.26 110.72 1psy n ASN 55 Ca -0.11 -3.61 -0.20 0.00 -0.53 0.00 0.00 54.58 50.13 1psy n ASN 55 Cb 0.44 -0.60 0.02 0.00 -2.08 0.00 0.00 39.78 37.56 1psy n ASN 55 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1psy n GLN 56 N -1.04 0.77 0.00 -3.83 10.64 -1.26 -4.19 117.38 118.47 1psy n GLN 56 Ca 0.29 -2.77 0.00 0.00 -1.83 0.00 0.00 57.00 52.69 1psy n GLN 56 Cb 0.95 0.15 0.00 0.00 -0.86 0.00 0.00 30.24 30.48 1psy n GLN 56 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1psy n GLN 57 N -1.71 0.00 -4.70 2.61 -0.06 -1.26 -5.03 117.38 107.22 1psy n GLN 57 Ca 0.03 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.72 1psy n GLN 57 Cb 0.51 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.61 1psy n GLN 57 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1psy s GLN 58 N -1.01 2.12 -0.86 3.69 2.00 -1.26 -5.03 119.66 119.30 1psy s GLN 58 Ca 0.00 -2.33 -0.25 0.00 -2.00 0.00 0.00 55.36 50.78 1psy s GLN 58 Cb 0.00 -1.34 -0.17 0.00 0.80 0.00 0.00 33.01 32.29 1psy s GLN 58 CO 0.00 -0.36 2.31 0.39 -0.50 0.00 0.00 175.29 177.12 1psy n GLU 59 N -1.17 0.40 0.00 1.67 1.02 -1.26 -4.39 120.64 116.92 1psy n GLU 59 Ca -0.15 -1.02 0.00 0.00 -0.02 0.00 0.00 57.16 55.96 1psy n GLU 59 Cb 0.67 -3.60 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 1psy n GLU 59 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1psy n SER 60 N 18.29 0.00 0.15 1.62 7.64 -1.26 -5.01 113.62 135.04 1psy n SER 60 Ca 0.46 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.51 1psy n SER 60 Cb 0.43 0.00 0.77 0.00 -1.01 0.00 0.00 64.21 64.40 1psy n SER 60 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1psy h GLN 61 N 0.00 0.00 -0.72 1.43 3.07 -1.99 -1.09 115.11 115.81 1psy h GLN 61 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 1psy h GLN 61 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 1psy h GLN 61 CO 0.00 0.00 0.23 0.37 0.09 0.00 0.00 178.83 179.52 1psy h GLN 62 N 0.00 1.11 -0.25 0.06 -0.00 -1.95 -2.15 115.11 111.93 1psy h GLN 62 Ca 0.13 -0.24 0.07 0.00 -0.00 0.00 0.00 58.65 58.62 1psy h GLN 62 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.99 1psy h GLN 62 CO -0.00 0.95 0.53 -0.07 0.00 0.00 0.00 178.83 180.24 1psy h LEU 63 N 1.05 0.00 -1.90 -2.39 4.07 -1.58 0.33 115.31 114.89 1psy h LEU 63 Ca 0.23 0.00 0.35 0.00 0.08 0.00 0.00 57.88 58.54 1psy h LEU 63 Cb 0.30 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.98 1psy h LEU 63 CO -0.01 0.00 0.86 0.06 -1.08 0.00 0.00 178.44 178.27 1psy h GLN 64 N 0.00 0.05 -0.21 1.13 3.07 -1.49 0.28 115.11 117.93 1psy h GLN 64 Ca 0.12 -0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.70 1psy h GLN 64 Cb 1.17 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 1psy h GLN 64 CO -0.00 0.03 -0.50 1.96 0.09 0.00 0.00 178.83 180.41 1psy h GLN 65 N 0.05 0.59 -0.01 0.06 1.08 -0.53 0.18 115.11 116.52 1psy h GLN 65 Ca 0.60 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.44 1psy h GLN 65 Cb 2.26 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.72 1psy h GLN 65 CO -0.06 0.95 -0.04 0.00 -0.95 0.00 0.00 178.83 178.73 1psy h ASN 68 N 0.02 0.00 0.00 0.00 2.35 -0.72 0.41 115.58 117.65 1psy h ASN 68 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1psy h ASN 68 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1psy h ASN 68 CO -0.10 0.00 -0.06 1.56 -1.65 0.00 0.00 177.43 177.18 1psy h GLN 69 N 0.00 0.00 0.00 0.81 1.08 0.56 -3.28 115.11 114.28 1psy h GLN 69 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1psy h GLN 69 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1psy h GLN 69 CO -0.00 0.66 0.00 0.28 -0.95 0.00 0.00 178.83 178.82 1psy n VAL 70 N -4.66 1.18 0.18 -0.54 0.31 0.17 -0.85 118.33 114.12 1psy n VAL 70 Ca -0.08 0.44 0.06 0.00 -0.01 0.00 0.00 64.34 64.75 1psy n VAL 70 Cb 0.33 -1.36 0.27 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.64 5.55 1.63 -0.97 -2.84 116.57 119.30 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 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1psy h LYS 71 CO 0.00 0.37 0.00 1.04 -3.45 0.00 0.00 179.45 177.41 1psy n GLN 72 N -3.39 3.48 -0.93 1.90 1.13 -0.03 -4.98 117.38 114.56 1psy n GLN 72 Ca 0.01 -2.44 -0.29 0.00 -1.94 0.00 0.00 57.00 52.33 1psy n GLN 72 Cb 0.56 -1.86 0.23 0.00 0.11 0.00 0.00 30.24 29.28 1psy n GLN 72 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1psy s VAL 73 N -1.92 1.73 -0.01 5.09 0.11 -1.08 -4.70 120.40 119.62 1psy s VAL 73 Ca 0.43 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.42 1psy s VAL 73 Cb 0.29 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.73 1psy s VAL 73 CO 0.19 0.00 0.54 0.03 -3.33 0.00 0.00 175.10 172.54 1psy h ARG 74 N -2.51 -0.23 0.00 1.54 2.47 -1.93 -3.50 114.38 110.23 1psy h ARG 74 Ca -0.51 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1psy h ARG 74 Cb 1.32 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1psy h ARG 74 CO 0.44 -0.16 0.00 -0.40 0.56 0.00 0.00 179.97 180.41 1psy n ASP 75 N -3.27 0.00 0.00 7.04 5.68 -1.26 -4.93 116.55 119.81 1psy n ASP 75 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1psy n ASP 75 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1psy n ASP 75 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1psy n GLU 76 N 0.00 -0.22 0.00 0.11 0.28 -1.26 -3.88 120.64 115.68 1psy n GLU 76 Ca 0.00 -0.26 0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1psy n GLU 76 Cb 0.00 -0.69 0.34 0.00 1.43 0.00 0.00 31.44 32.52 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 0.93 0.96 0.18 0.00 3.07 -1.95 -0.27 115.11 118.02 1psy h GLN 78 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 1psy h GLN 78 Cb 0.51 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1psy h GLN 78 CO 0.00 0.63 -0.09 0.00 0.09 0.00 0.00 178.83 179.47 1psy n GLU 80 N -2.77 -0.05 0.03 0.00 0.00 -1.19 -0.25 120.64 116.42 1psy n GLU 80 Ca -0.03 1.26 -0.14 0.00 0.00 0.00 0.00 57.16 58.25 1psy n GLU 80 Cb 0.09 -2.30 -0.08 0.00 0.00 0.00 0.00 31.44 29.15 1psy n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1psy h ALA 81 N 1.78 -0.79 -0.88 4.31 0.00 -0.92 0.26 119.26 123.02 1psy h ALA 81 Ca 0.79 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.72 1psy h ALA 81 Cb 2.19 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 20.80 1psy h ALA 81 CO -0.66 -1.03 0.57 0.82 0.00 0.00 0.00 179.25 178.95 1psy h ILE 82 N -0.60 1.05 0.00 0.00 5.03 -0.55 0.83 117.51 123.28 1psy h ILE 82 Ca 0.04 -0.34 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1psy h ILE 82 Cb 0.68 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.46 1psy h ILE 82 CO -0.37 0.18 0.00 0.29 -0.68 0.00 0.00 178.15 177.57 1psy n LYS 83 N -4.49 0.12 0.01 2.37 4.76 0.62 -1.10 118.16 120.45 1psy n LYS 83 Ca 0.13 0.21 -0.01 0.00 -2.87 0.00 0.00 58.31 55.77 1psy n LYS 83 Cb 0.21 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.32 0.00 -0.03 2.13 9.36 0.50 -4.36 117.16 123.45 1psy n TYR 84 Ca 0.04 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.13 1psy n TYR 84 Cb 0.08 -0.08 -0.11 0.00 -0.63 0.00 0.00 39.34 38.61 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 -0.16 1.48 -0.13 2.97 2.10 0.55 1.10 117.51 125.42 1psy h ILE 85 Ca 0.00 -1.42 0.00 0.00 1.08 0.00 0.00 64.86 64.52 1psy h ILE 85 Cb 0.16 2.45 -0.01 0.00 -1.09 0.00 0.00 36.82 38.33 1psy h ILE 85 CO 0.00 0.37 0.08 0.00 -1.08 0.00 0.00 178.15 177.52 1psy h ALA 86 N 0.40 0.16 -0.10 0.18 0.00 -1.23 -0.65 119.26 118.02 1psy h ALA 86 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1psy h ALA 86 Cb 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1psy h ALA 86 CO 0.00 -0.35 -0.35 1.49 0.00 0.00 0.00 179.25 180.04 1psy h GLU 87 N 0.17 0.21 0.41 0.00 4.81 -1.19 -2.21 114.58 116.77 1psy h GLU 87 Ca 0.05 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1psy h GLU 87 Cb -0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1psy h GLU 87 CO -0.01 0.54 -0.20 -0.44 -0.73 0.00 0.00 179.01 178.18 1psy h ASP 88 N 0.18 -0.46 -0.78 1.04 3.32 0.19 0.15 116.42 120.05 1psy h ASP 88 Ca 0.02 0.02 0.21 0.00 0.02 0.00 0.00 57.03 57.30 1psy h ASP 88 Cb 0.72 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1psy h ASP 88 CO 0.05 -0.30 0.55 0.06 -1.72 0.00 0.00 179.24 177.88 1psy h GLN 89 N -0.60 0.09 -0.41 3.56 -0.00 -1.22 0.50 115.11 117.03 1psy h GLN 89 Ca -0.06 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 1psy h GLN 89 Cb 0.42 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 27.86 1psy h GLN 89 CO 0.09 0.06 0.10 0.82 -0.00 0.00 0.00 178.83 179.90 1psy h ILE 90 N 0.10 1.23 0.00 1.86 2.04 -0.58 0.67 117.51 122.83 1psy h ILE 90 Ca 0.38 -0.79 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 1psy h ILE 90 Cb 1.36 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1psy h ILE 90 CO -0.04 0.27 -0.74 1.56 0.00 0.00 0.00 178.15 179.20 1psy h GLN 91 N 0.52 0.00 0.19 2.37 4.20 0.85 -3.14 115.11 120.10 1psy h GLN 91 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1psy h GLN 91 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1psy h GLN 91 CO 0.00 0.74 -0.09 0.37 -0.67 0.00 0.00 178.83 179.18 1psy h GLN 92 N 0.00 -0.24 0.00 1.46 -0.00 0.21 -3.47 115.11 113.07 1psy h GLN 92 Ca -0.01 0.02 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 1psy h GLN 92 Cb 1.47 0.05 0.11 0.00 0.00 0.00 0.00 27.48 29.12 1psy h GLN 92 CO 0.10 0.07 0.10 0.41 0.00 0.00 0.00 178.83 179.50 1psy n GLY 93 N 0.88 -2.36 2.06 2.39 0.00 0.23 -4.90 105.19 103.48 1psy n GLY 93 Ca -0.06 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.20 1.93 -0.65 1.61 6.02 -1.26 -4.31 117.38 117.52 1psy n GLN 94 Ca 0.09 -1.41 0.06 0.00 -0.01 0.00 0.00 57.00 55.72 1psy n GLN 94 Cb 0.33 -1.81 0.31 0.00 1.02 0.00 0.00 30.24 30.09 1psy n GLN 94 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1psy n LEU 95 N 1.33 4.51 0.00 1.08 7.99 -1.19 -4.79 117.00 125.93 1psy n LEU 95 Ca 0.35 -2.28 -0.20 0.00 -0.01 0.00 0.00 56.01 53.86 1psy n LEU 95 Cb 0.66 -0.62 0.09 0.00 -0.11 0.00 0.00 43.42 43.44 1psy n LEU 95 CO 0.23 0.57 0.45 1.41 -1.51 0.00 0.00 177.39 178.54 1psy n HIS 96 N 0.57 -2.69 0.00 -1.77 8.25 -1.26 -1.10 115.22 117.22 1psy n HIS 96 Ca 0.21 -1.82 0.00 0.00 -0.26 0.00 0.00 57.72 55.86 1psy n HIS 96 Cb 0.93 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.04 1.85 0.00 -1.41 0.00 -1.26 -3.40 105.19 98.93 1psy n GLY 97 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 1.61 2.13 -1.26 -5.00 120.64 118.12 1psy n GLU 98 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1psy n GLU 98 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.22 -0.06 5.31 0.28 -1.22 -4.80 120.64 120.37 1psy n GLU 99 Ca 0.00 -0.52 -0.15 0.00 -0.16 0.00 0.00 57.16 56.33 1psy n GLU 99 Cb 0.00 -0.55 -0.04 0.00 1.43 0.00 0.00 31.44 32.29 1psy n GLU 99 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1psy h SER 100 N 0.00 0.96 0.00 -1.84 0.87 -1.38 -2.92 113.55 109.24 1psy h SER 100 Ca 0.00 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1psy h SER 100 Cb 0.89 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1psy h SER 100 CO 0.00 1.33 -0.00 -0.33 -0.53 0.00 0.00 176.83 177.30 1psy h GLU 101 N 0.64 0.00 -0.09 2.24 5.08 -1.87 0.33 114.58 120.92 1psy h GLU 101 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1psy h GLU 101 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1psy h GLU 101 CO 0.13 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.70 1psy h ARG 102 N 0.00 0.21 0.19 2.33 3.08 -1.86 -1.38 114.38 116.95 1psy h ARG 102 Ca -0.00 -0.10 -0.32 0.00 0.07 0.00 0.00 59.98 59.63 1psy h ARG 102 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.09 1psy h ARG 102 CO 0.00 0.61 -1.36 0.28 -1.07 0.00 0.00 179.97 178.43 1psy h VAL 103 N 0.17 1.29 -0.32 2.04 2.07 -1.02 -2.43 116.25 118.05 1psy h VAL 103 Ca 0.01 -2.59 0.03 0.00 0.82 0.00 0.00 66.70 64.98 1psy h VAL 103 Cb 0.85 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 1psy h VAL 103 CO 0.07 0.78 0.13 0.00 0.02 0.00 0.00 177.57 178.57 1psy h ALA 104 N 0.23 0.38 -0.02 1.67 0.00 -1.03 0.17 119.26 120.67 1psy h ALA 104 Ca -0.22 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1psy h ALA 104 Cb 2.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1psy h ALA 104 CO 0.26 -0.26 -0.49 -0.56 0.00 0.00 0.00 179.25 178.19 1psy h GLN 105 N 0.28 0.05 0.78 0.00 3.07 -1.37 -3.09 115.11 114.83 1psy h GLN 105 Ca 0.14 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.82 1psy h GLN 105 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.66 1psy h GLN 105 CO -0.13 0.53 -0.38 -0.09 0.09 0.00 0.00 178.83 178.86 1psy h ARG 106 N 0.04 -1.01 -0.97 0.06 2.43 -0.75 -2.57 114.38 111.60 1psy h ARG 106 Ca -0.00 0.07 0.23 0.00 -0.81 0.00 0.00 59.98 59.46 1psy h ARG 106 Cb 0.89 0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 30.59 1psy h ARG 106 CO 0.07 -0.66 0.63 0.00 -1.51 0.00 0.00 179.97 178.50 1psy h ALA 107 N -1.01 2.17 -1.25 2.80 0.00 -1.03 0.26 119.26 121.20 1psy h ALA 107 Ca -0.11 0.04 0.37 0.00 0.00 0.00 0.00 54.91 55.22 1psy h ALA 107 Cb 0.82 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 1psy h ALA 107 CO 0.18 -0.51 0.83 0.78 0.00 0.00 0.00 179.25 180.52 1psy h GLY 108 N 0.44 1.00 0.44 0.00 0.00 -1.37 0.59 103.07 104.16 1psy h GLY 108 Ca 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1psy h GLY 108 CO -0.24 -0.23 -0.40 0.83 0.00 0.00 0.00 176.54 176.51 1psy h GLU 109 N 0.17 -0.79 0.00 4.80 5.08 -0.47 0.65 114.58 124.02 1psy h GLU 109 Ca 0.72 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 59.07 1psy h GLU 109 Cb 2.25 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.67 1psy h GLU 109 CO -0.29 -0.53 -0.30 0.82 -1.00 0.00 0.00 179.01 177.72 1psy h ILE 110 N -0.82 0.92 0.31 3.13 1.08 -1.41 -2.77 117.51 117.95 1psy h ILE 110 Ca -0.06 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.27 1psy h ILE 110 Cb 0.70 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 1psy h ILE 110 CO -0.03 0.29 -0.25 0.58 -0.69 0.00 0.00 178.15 178.05 1psy h VAL 111 N 0.00 0.46 -0.40 1.67 2.07 -0.50 -0.11 116.25 119.44 1psy h VAL 111 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1psy h VAL 111 Cb 0.65 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1psy h VAL 111 CO 0.04 0.00 0.29 0.77 0.02 0.00 0.00 177.57 178.69 1psy h SER 112 N -0.58 0.00 0.00 0.57 4.64 -0.60 -0.01 113.55 117.57 1psy h SER 112 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1psy h SER 112 Cb 0.51 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1psy h SER 112 CO -0.02 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.74 1psy n SER 113 N -4.42 0.00 -1.77 4.97 7.64 -0.62 -4.80 113.62 114.62 1psy n SER 113 Ca 0.07 0.73 -0.05 0.00 1.01 0.00 0.00 58.87 60.63 1psy n SER 113 Cb 0.48 -0.43 0.02 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.69 4.86 3.40 0.00 0.00 -0.11 -4.35 105.19 108.31 1psy n GLY 115 Ca -0.23 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 1psy n GLY 115 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1psy n VAL 116 N -0.69 2.02 0.00 1.61 3.14 -0.68 -4.15 118.33 119.58 1psy n VAL 116 Ca 0.28 -1.99 0.00 0.00 -2.96 0.00 0.00 64.34 59.67 1psy n VAL 116 Cb 0.89 -2.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.43 1psy n VAL 116 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1psy n ARG 117 N 7.81 0.00 0.00 1.45 3.00 -1.26 -4.26 116.66 123.41 1psy n ARG 117 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.31 1psy n ARG 117 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.87 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 -0.08 2.46 0.00 0.00 0.00 -1.26 -4.64 117.12 113.60 1psy n MET 119 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 57.70 55.45 1psy n MET 119 Cb 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.76 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 1.36 0.00 -0.63 2.12 0.63 -1.26 -4.82 116.66 114.06 1psy n ARG 120 Ca 0.21 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1psy n ARG 120 Cb 0.55 -0.02 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 -2.03 0.61 -3.51 -0.14 1.13 -1.24 -4.99 117.38 107.21 1psy n GLN 121 Ca 0.00 -0.02 -0.10 0.00 -1.94 0.00 0.00 57.00 54.94 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 -1.39 0.00 -1.50 5.09 -2.24 -1.25 -4.40 114.28 108.58 1psy n THR 122 Ca 0.00 -1.17 -0.40 0.00 -2.27 0.00 0.00 64.05 60.21 1psy n THR 122 Cb 0.00 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.48 0.25 0.00 -0.78 0.63 -1.26 -4.72 116.66 110.29 1psy n ARG 123 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1psy n ARG 123 Cb 0.51 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.47 1psy n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1psy n THR 124 N 7.59 0.00 -0.81 5.15 -2.24 -1.26 -5.21 114.28 117.50 1psy n THR 124 Ca 0.59 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 1psy n THR 124 Cb 0.15 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1psy n THR 124 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30