#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9j s SER 2 N 0.00 -0.29 0.11 1.61 1.04 -1.26 -5.19 113.70 109.73 2e9j s SER 2 Ca 0.00 -0.21 -0.26 0.00 0.48 0.00 0.00 55.95 55.96 2e9j s SER 2 Cb 0.00 0.46 0.08 0.00 0.10 0.00 0.00 66.02 66.66 2e9j s SER 2 CO 0.00 -0.80 1.05 -0.55 0.98 0.00 0.00 173.24 173.91 2e9j s SER 3 N -2.73 -0.14 0.30 7.02 0.15 -1.26 -5.19 113.70 111.85 2e9j s SER 3 Ca 0.08 -0.35 -0.19 0.00 0.70 0.00 0.00 55.95 56.19 2e9j s SER 3 Cb -0.01 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 2e9j s SER 3 CO -0.03 -0.76 0.71 -0.83 1.20 0.00 0.00 173.24 173.53 2e9j s GLY 4 N -2.98 0.10 0.22 9.45 0.00 -1.26 -5.19 107.32 107.66 2e9j s GLY 4 Ca 0.13 -0.48 -0.19 0.00 0.00 0.00 0.00 44.72 44.18 2e9j s GLY 4 CO 0.01 -0.20 0.60 -0.56 0.00 0.00 0.00 173.10 172.94 2e9j s SER 5 N -2.97 -0.31 0.23 1.64 0.01 -1.26 -5.19 113.70 105.85 2e9j s SER 5 Ca 0.13 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 56.85 2e9j s SER 5 Cb -0.05 0.63 -0.01 0.00 0.21 0.00 0.00 66.02 66.79 2e9j s SER 5 CO 0.08 -1.13 0.38 -0.94 0.41 0.00 0.00 173.24 172.04 2e9j s SER 6 N -2.87 -0.03 0.05 2.44 1.04 -1.26 -5.18 113.70 107.89 2e9j s SER 6 Ca 0.09 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 2e9j s SER 6 Cb -0.02 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2e9j s SER 6 CO -0.01 -1.05 0.13 0.61 0.98 0.00 0.00 173.24 173.90 2e9j n GLY 7 N -0.34 1.70 3.21 7.32 0.00 -1.26 -5.19 105.19 110.64 2e9j n GLY 7 Ca -0.01 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 2e9j n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9j s ARG 8 N -2.01 0.84 -0.14 1.61 1.81 -1.26 -5.16 118.95 114.64 2e9j s ARG 8 Ca 0.03 -0.88 0.01 0.00 -1.72 0.00 0.00 55.73 53.16 2e9j s ARG 8 Cb -0.01 0.35 0.02 0.00 -0.45 0.00 0.00 34.95 34.86 2e9j s ARG 8 CO 0.02 -0.27 -0.16 -1.12 -0.68 0.00 0.00 175.30 173.08 2e9j s SER 9 N -2.74 2.77 1.18 0.23 0.01 -1.26 -5.13 113.70 108.76 2e9j s SER 9 Ca 0.03 -0.52 -0.19 0.00 1.31 0.00 0.00 55.95 56.59 2e9j s SER 9 Cb 0.04 -1.25 0.28 0.00 0.21 0.00 0.00 66.02 65.30 2e9j s SER 9 CO -0.10 -0.01 1.11 -2.16 0.41 0.00 0.00 173.24 172.48 2e9j s PRO 10 N 1.26 -1.08 1.16 12.44 0.04 -1.26 -5.01 135.00 142.54 2e9j s PRO 10 Ca 0.01 -0.01 -0.17 0.00 0.04 0.00 0.00 61.00 60.87 2e9j s PRO 10 Cb -0.14 -1.61 0.21 0.00 0.04 0.00 0.00 34.50 33.00 2e9j s PRO 10 CO -0.08 -3.63 0.40 1.19 0.04 0.00 0.00 177.00 174.92 2e9j n PHE 11 N -4.71 -2.27 -2.18 0.56 3.72 -1.26 -4.78 117.46 106.55 2e9j n PHE 11 Ca 0.12 -0.15 -0.36 0.00 -0.05 0.00 0.00 57.45 57.01 2e9j n PHE 11 Cb 0.59 -1.46 -0.04 0.00 -0.94 0.00 0.00 39.48 37.64 2e9j n PHE 11 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2e9j s LYS 12 N -3.88 2.79 -0.30 -1.08 2.47 -1.26 -4.86 119.74 113.63 2e9j s LYS 12 Ca 0.52 0.06 -0.16 0.00 -1.56 0.00 0.00 55.97 54.83 2e9j s LYS 12 Cb -0.11 -4.62 0.18 0.00 -1.46 0.00 0.00 37.83 31.81 2e9j s LYS 12 CO 0.52 -2.76 1.11 0.54 0.16 0.00 0.00 175.35 174.91 2e9j s VAL 13 N 8.40 -0.12 -0.80 4.02 0.11 -1.26 -5.11 120.40 125.64 2e9j s VAL 13 Ca 0.61 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.55 2e9j s VAL 13 Cb -0.09 -1.00 0.21 0.00 -1.53 0.00 0.00 36.38 33.97 2e9j s VAL 13 CO 0.11 0.00 0.71 -0.54 -3.33 0.00 0.00 175.10 172.05 2e9j s LYS 14 N 1.61 3.37 0.20 1.54 3.01 -1.26 -5.03 119.74 123.17 2e9j s LYS 14 Ca -0.06 -2.58 0.06 0.00 -1.01 0.00 0.00 55.97 52.39 2e9j s LYS 14 Cb -0.03 -4.24 -0.05 0.00 -1.01 0.00 0.00 37.83 32.50 2e9j s LYS 14 CO -0.14 -1.26 -0.10 0.14 0.51 0.00 0.00 175.35 174.50 2e9j s VAL 15 N -0.07 1.46 0.37 3.17 -7.23 -1.26 -5.13 120.40 111.71 2e9j s VAL 15 Ca 0.19 -2.13 -0.26 0.00 -1.81 0.00 0.00 61.98 57.96 2e9j s VAL 15 Cb -0.13 -2.06 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 2e9j s VAL 15 CO -0.08 -0.58 1.19 -1.48 -0.31 0.00 0.00 175.10 173.85 2e9j s LEU 16 N -3.28 4.28 0.53 1.32 0.05 -1.26 -5.00 118.68 115.32 2e9j s LEU 16 Ca 0.22 2.41 -0.20 0.00 0.05 0.00 0.00 54.13 56.61 2e9j s LEU 16 Cb 0.02 -3.90 -0.06 0.00 -2.05 0.00 0.00 46.19 40.20 2e9j s LEU 16 CO 0.06 -0.59 1.13 -2.16 -0.55 0.00 0.00 176.35 174.24 2e9j s PRO 17 N -2.10 3.40 0.26 1.48 0.04 -1.26 -4.95 135.00 131.87 2e9j s PRO 17 Ca 0.54 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2e9j s PRO 17 Cb -0.33 -2.05 0.34 0.00 0.04 0.00 0.00 34.50 32.51 2e9j s PRO 17 CO 0.42 -0.82 1.75 1.15 0.04 0.00 0.00 177.00 179.54 2e9j h THR 18 N 1.27 1.24 -3.74 1.26 2.02 -1.94 -3.44 112.91 109.58 2e9j h THR 18 Ca -0.50 -1.05 -0.45 0.00 0.77 0.00 0.00 66.41 65.19 2e9j h THR 18 Cb 1.26 0.96 0.17 0.00 -1.74 0.00 0.00 68.15 68.80 2e9j h THR 18 CO 0.57 0.36 0.15 -0.72 0.37 0.00 0.00 175.52 176.26 2e9j s TYR 19 N -4.90 1.94 -0.23 3.16 -0.85 -1.26 -4.78 117.35 110.43 2e9j s TYR 19 Ca -0.09 0.98 -0.09 0.00 -0.52 0.00 0.00 57.07 57.36 2e9j s TYR 19 Cb 0.14 -3.25 0.10 0.00 0.38 0.00 0.00 41.96 39.34 2e9j s TYR 19 CO 0.81 -3.14 0.50 -0.51 -1.52 0.00 0.00 175.55 171.70 2e9j s ASP 20 N -3.31 -0.58 -0.03 -0.18 1.01 0.13 -4.94 116.67 108.76 2e9j s ASP 20 Ca 0.66 1.18 -0.26 0.00 0.71 0.00 0.00 52.55 54.85 2e9j s ASP 20 Cb -0.20 1.56 -0.21 0.00 1.01 0.00 0.00 42.92 45.09 2e9j s ASP 20 CO 0.59 -0.22 1.21 0.00 0.21 0.00 0.00 175.17 176.95 2e9j h ALA 21 N 7.93 0.01 -0.86 5.23 0.00 -1.84 -3.09 119.26 126.64 2e9j h ALA 21 Ca -0.20 -0.28 0.25 0.00 0.00 0.00 0.00 54.91 54.68 2e9j h ALA 21 Cb 1.12 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2e9j h ALA 21 CO 0.14 -0.20 0.77 0.77 0.00 0.00 0.00 179.25 180.73 2e9j h SER 22 N -0.52 0.00 -0.38 0.00 0.02 -1.91 0.87 113.55 111.62 2e9j h SER 22 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2e9j h SER 22 Cb 0.56 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.01 2e9j h SER 22 CO 0.00 0.00 0.20 0.29 -1.14 0.00 0.00 176.83 176.19 2e9j n LYS 23 N -3.80 1.91 -4.64 3.45 4.76 -1.17 -4.81 118.16 113.86 2e9j n LYS 23 Ca 0.18 -1.35 -0.33 0.00 -2.87 0.00 0.00 58.31 53.95 2e9j n LYS 23 Cb 1.07 -1.62 -0.16 0.00 -1.84 0.00 0.00 35.03 32.48 2e9j n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2e9j s VAL 24 N -1.55 2.10 0.10 -0.18 1.01 0.30 -3.76 120.40 118.43 2e9j s VAL 24 Ca 0.25 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2e9j s VAL 24 Cb 0.20 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2e9j s VAL 24 CO 0.06 0.55 0.05 0.42 0.00 0.00 0.00 175.10 176.18 2e9j s THR 25 N 0.83 0.14 0.03 3.92 -4.23 -1.24 -4.90 115.64 110.20 2e9j s THR 25 Ca -0.07 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2e9j s THR 25 Cb -0.15 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.84 2e9j s THR 25 CO -0.02 -0.63 0.02 0.00 -0.54 0.00 0.00 174.62 173.45 2e9j s ALA 26 N -3.99 0.13 -0.00 3.99 0.00 -1.26 -1.71 121.76 118.92 2e9j s ALA 26 Ca 0.17 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 2e9j s ALA 26 Cb 0.07 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.41 2e9j s ALA 26 CO -0.03 -0.27 0.22 -1.12 0.00 0.00 0.00 175.76 174.56 2e9j s SER 27 N -2.03 -0.07 0.00 0.00 0.01 -0.23 -4.96 113.70 106.43 2e9j s SER 27 Ca -0.07 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2e9j s SER 27 Cb -0.03 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2e9j s SER 27 CO -0.04 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2e9j n GLY 28 N 1.30 0.61 0.23 3.44 0.00 -1.26 -1.71 105.19 107.81 2e9j n GLY 28 Ca -0.22 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 2e9j n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9j h PRO 29 N 6.27 0.64 -0.82 1.61 0.13 -1.99 -2.93 132.00 134.92 2e9j h PRO 29 Ca 0.00 -0.34 0.19 0.00 -0.87 0.00 0.00 66.00 64.98 2e9j h PRO 29 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2e9j h PRO 29 CO 0.00 0.94 0.55 0.78 -0.23 0.00 0.00 178.00 180.05 2e9j h GLY 30 N 1.00 0.64 -1.87 1.56 0.00 -1.86 0.30 103.07 102.84 2e9j h GLY 30 Ca 0.04 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 2e9j h GLY 30 CO 0.09 0.02 -0.05 1.04 0.00 0.00 0.00 176.54 177.63 2e9j n LEU 31 N -4.46 4.02 -4.68 3.11 4.77 -1.17 -4.95 117.00 113.64 2e9j n LEU 31 Ca 0.17 -3.58 -0.42 0.00 -0.03 0.00 0.00 56.01 52.15 2e9j n LEU 31 Cb 0.67 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2e9j n LEU 31 CO 0.33 1.11 1.37 -0.55 -1.33 0.00 0.00 177.39 178.31 2e9j s SER 32 N -2.41 6.61 0.18 -1.43 0.15 0.09 -4.87 113.70 112.02 2e9j s SER 32 Ca 0.44 2.43 -0.02 0.00 0.70 0.00 0.00 55.95 59.50 2e9j s SER 32 Cb 0.39 -2.55 0.08 0.00 -1.71 0.00 0.00 66.02 62.22 2e9j s SER 32 CO 0.02 -0.91 1.46 -1.28 1.20 0.00 0.00 173.24 173.72 2e9j h SER 33 N 8.88 0.52 -0.11 5.45 0.87 -1.89 -3.07 113.55 124.20 2e9j h SER 33 Ca -0.42 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 59.80 2e9j h SER 33 Cb 1.20 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2e9j h SER 33 CO 0.94 1.05 0.04 1.88 -0.53 0.00 0.00 176.83 180.20 2e9j h TYR 34 N 0.32 0.22 0.00 2.24 0.05 -1.95 -3.45 116.97 114.40 2e9j h TYR 34 Ca -0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9j h TYR 34 Cb 1.24 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2e9j h TYR 34 CO 0.04 0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.77 2e9j n GLY 35 N -1.31 4.24 3.39 3.88 0.00 -1.16 -4.98 105.19 109.26 2e9j n GLY 35 Ca -0.01 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 2e9j n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e9j s VAL 36 N -2.00 2.24 -0.19 1.61 -7.23 -0.86 -4.74 120.40 109.24 2e9j s VAL 36 Ca 0.00 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 2e9j s VAL 36 Cb 0.00 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 2e9j s VAL 36 CO 0.00 0.03 1.59 -2.16 -0.31 0.00 0.00 175.10 174.24 2e9j s PRO 37 N -2.21 3.91 0.72 4.82 0.04 -1.26 -1.79 135.00 139.23 2e9j s PRO 37 Ca 0.15 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 2e9j s PRO 37 Cb -0.09 -4.00 0.03 0.00 0.04 0.00 0.00 34.50 30.48 2e9j s PRO 37 CO 0.07 -1.16 1.24 0.00 0.04 0.00 0.00 177.00 177.19 2e9j s ALA 38 N 4.82 2.12 -1.69 8.56 0.00 -1.05 -2.78 121.76 131.75 2e9j s ALA 38 Ca 0.70 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.49 2e9j s ALA 38 Cb -0.26 -3.51 0.14 0.00 0.00 0.00 0.00 23.12 19.50 2e9j s ALA 38 CO 0.28 -1.90 0.66 0.45 0.00 0.00 0.00 175.76 175.25 2e9j n SER 39 N -2.60 -2.43 -3.75 0.00 2.88 -1.15 -4.93 113.62 101.64 2e9j n SER 39 Ca 0.14 -1.07 -0.17 0.00 -1.33 0.00 0.00 58.87 56.45 2e9j n SER 39 Cb 0.50 -2.53 -0.17 0.00 -0.75 0.00 0.00 64.21 61.26 2e9j n SER 39 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2e9j s LEU 40 N -7.24 0.79 -0.61 2.46 1.98 -1.12 -5.03 118.68 109.92 2e9j s LEU 40 Ca 0.62 0.04 -0.27 0.00 -2.89 0.00 0.00 54.13 51.64 2e9j s LEU 40 Cb -0.34 -0.11 -0.02 0.00 0.66 0.00 0.00 46.19 46.37 2e9j s LEU 40 CO 0.95 -0.16 1.86 -2.16 -1.89 0.00 0.00 176.35 174.94 2e9j s PRO 41 N 1.42 2.63 0.01 0.98 0.04 -1.26 -4.46 135.00 134.36 2e9j s PRO 41 Ca -0.05 0.61 0.02 0.00 0.04 0.00 0.00 61.00 61.63 2e9j s PRO 41 Cb -0.13 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.99 2e9j s PRO 41 CO -0.03 -2.73 -0.02 0.54 0.04 0.00 0.00 177.00 174.81 2e9j s VAL 42 N 9.06 3.98 0.01 -0.36 0.11 -1.04 -4.91 120.40 127.24 2e9j s VAL 42 Ca 0.67 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 2e9j s VAL 42 Cb -0.13 -2.78 -0.01 0.00 -1.53 0.00 0.00 36.38 31.93 2e9j s VAL 42 CO 0.21 0.34 -0.04 1.51 -3.33 0.00 0.00 175.10 173.79 2e9j s ASP 43 N -1.62 0.48 0.50 3.54 1.47 -1.26 -1.54 116.67 118.24 2e9j s ASP 43 Ca 0.20 -0.19 0.05 0.00 1.18 0.00 0.00 52.55 53.79 2e9j s ASP 43 Cb -0.11 -0.02 0.05 0.00 -0.34 0.00 0.00 42.92 42.50 2e9j s ASP 43 CO 0.11 -0.03 0.44 2.22 0.68 0.00 0.00 175.17 178.58 2e9j n PHE 44 N 2.60 -0.98 -4.71 2.11 -1.74 -1.07 -4.10 117.46 109.57 2e9j n PHE 44 Ca -0.15 -2.07 -0.25 0.00 -0.56 0.00 0.00 57.45 54.41 2e9j n PHE 44 Cb 0.58 -0.42 -0.16 0.00 1.52 0.00 0.00 39.48 40.99 2e9j n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2e9j s ALA 45 N -2.70 1.40 -0.40 1.98 0.00 -0.69 -3.50 121.76 117.83 2e9j s ALA 45 Ca 0.33 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 2e9j s ALA 45 Cb -0.03 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.60 2e9j s ALA 45 CO 0.21 0.18 0.24 0.42 0.00 0.00 0.00 175.76 176.81 2e9j s ILE 46 N 0.42 4.28 -0.26 0.00 1.01 0.04 -1.06 121.20 125.63 2e9j s ILE 46 Ca -0.11 -1.26 -0.10 0.00 0.00 0.00 0.00 60.65 59.18 2e9j s ILE 46 Cb -0.14 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2e9j s ILE 46 CO 0.04 -0.42 0.14 -0.62 0.00 0.00 0.00 174.94 174.07 2e9j s ASP 47 N 1.95 5.74 -0.16 3.58 -1.08 -0.69 -2.53 116.67 123.47 2e9j s ASP 47 Ca 0.02 -0.05 -0.03 0.00 -0.52 0.00 0.00 52.55 51.97 2e9j s ASP 47 Cb -0.22 -2.05 -0.02 0.00 -1.46 0.00 0.00 42.92 39.17 2e9j s ASP 47 CO 0.03 -0.02 -0.06 0.00 0.52 0.00 0.00 175.17 175.65 2e9j s ALA 48 N 1.56 2.88 -0.19 3.66 0.00 -1.26 -3.63 121.76 124.79 2e9j s ALA 48 Ca 0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 2e9j s ALA 48 Cb -0.15 -1.52 -0.08 0.00 0.00 0.00 0.00 23.12 21.36 2e9j s ALA 48 CO 0.07 0.08 -0.19 0.54 0.00 0.00 0.00 175.76 176.27 2e9j n ARG 49 N 3.81 0.52 -0.10 0.00 5.12 -1.25 -4.68 116.66 120.08 2e9j n ARG 49 Ca -0.18 0.40 0.08 0.00 -1.93 0.00 0.00 57.85 56.22 2e9j n ARG 49 Cb 0.52 -1.59 0.11 0.00 -1.16 0.00 0.00 32.46 30.34 2e9j n ARG 49 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2e9j n ASP 50 N -4.48 2.07 0.14 0.55 2.03 -1.26 -4.69 116.55 110.91 2e9j n ASP 50 Ca -0.22 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.24 2e9j n ASP 50 Cb 0.52 -0.36 0.16 0.00 -0.72 0.00 0.00 41.12 40.72 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e9j h ALA 51 N 0.00 0.86 -0.68 -1.67 0.00 -1.71 -3.34 119.26 112.71 2e9j h ALA 51 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2e9j h ALA 51 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2e9j h ALA 51 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 2e9j n GLY 52 N 0.49 1.13 3.57 0.00 0.00 -1.26 0.17 105.19 109.28 2e9j n GLY 52 Ca -0.00 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 2e9j n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e9j s GLU 53 N 0.00 3.90 -0.04 1.61 2.12 -1.26 -4.90 118.70 120.12 2e9j s GLU 53 Ca 0.00 -0.35 -0.11 0.00 0.36 0.00 0.00 54.97 54.87 2e9j s GLU 53 Cb 0.00 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.81 2e9j s GLU 53 CO 0.00 -0.18 0.25 0.20 -0.54 0.00 0.00 175.26 174.99 2e9j s GLY 54 N 1.73 -0.12 -0.34 -1.50 0.00 -1.26 -4.53 107.32 101.30 2e9j s GLY 54 Ca 0.07 0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.88 2e9j s GLY 54 CO 0.10 0.22 2.30 -0.10 0.00 0.00 0.00 173.10 175.61 2e9j n LEU 55 N 1.91 2.75 -4.77 0.66 7.94 -1.26 -4.42 117.00 119.82 2e9j n LEU 55 Ca -0.19 -0.01 -0.39 0.00 -1.11 0.00 0.00 56.01 54.31 2e9j n LEU 55 Cb 0.57 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.94 2e9j n LEU 55 CO 0.20 -0.98 0.35 -0.22 -1.11 0.00 0.00 177.39 175.62 2e9j s LEU 56 N 9.51 4.45 0.01 -1.96 2.96 -1.26 -1.25 118.68 131.14 2e9j s LEU 56 Ca 1.02 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 56.23 2e9j s LEU 56 Cb -0.37 -3.02 -0.01 0.00 0.50 0.00 0.00 46.19 43.29 2e9j s LEU 56 CO 0.34 0.11 -0.08 0.00 -1.32 0.00 0.00 176.35 175.41 2e9j s ALA 57 N -0.34 0.61 -0.26 5.97 0.00 -1.05 -5.03 121.76 121.66 2e9j s ALA 57 Ca 0.33 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 2e9j s ALA 57 Cb -0.19 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.85 2e9j s ALA 57 CO 0.19 0.10 -0.01 0.08 0.00 0.00 0.00 175.76 176.13 2e9j s VAL 58 N -0.53 3.27 -0.29 0.00 1.01 -1.26 -3.54 120.40 119.06 2e9j s VAL 58 Ca -0.01 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2e9j s VAL 58 Cb -0.05 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.73 2e9j s VAL 58 CO 0.00 0.16 -0.04 -1.10 0.00 0.00 0.00 175.10 174.12 2e9j s GLN 59 N 1.39 2.08 -0.11 2.72 -0.21 -1.25 -5.03 119.66 119.24 2e9j s GLN 59 Ca 0.01 -1.48 0.02 0.00 0.02 0.00 0.00 55.36 53.93 2e9j s GLN 59 Cb -0.17 -3.04 -0.00 0.00 1.00 0.00 0.00 33.01 30.80 2e9j s GLN 59 CO -0.02 -0.69 -0.20 0.42 -2.12 0.00 0.00 175.29 172.68 2e9j s ILE 60 N 1.08 2.40 0.07 1.08 1.01 -1.26 -1.60 121.20 123.97 2e9j s ILE 60 Ca -0.03 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2e9j s ILE 60 Cb -0.20 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 2e9j s ILE 60 CO -0.05 0.55 -0.07 0.42 0.00 0.00 0.00 174.94 175.79 2e9j s THR 61 N 0.37 0.58 0.75 2.92 -4.23 -1.15 -3.44 115.64 111.44 2e9j s THR 61 Ca -0.16 -1.46 -0.10 0.00 -1.18 0.00 0.00 61.69 58.80 2e9j s THR 61 Cb -0.17 -1.08 0.17 0.00 1.34 0.00 0.00 72.50 72.75 2e9j s THR 61 CO 0.07 -0.61 1.02 -0.67 -0.54 0.00 0.00 174.62 173.89 2e9j n ASP 62 N 0.79 0.41 -0.34 3.99 2.03 -0.91 -2.43 116.55 120.09 2e9j n ASP 62 Ca -0.18 -1.57 0.07 0.00 0.52 0.00 0.00 54.79 53.63 2e9j n ASP 62 Cb 0.57 -0.75 0.26 0.00 -0.72 0.00 0.00 41.12 40.49 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2e9j h GLN 63 N 0.00 0.92 0.00 -0.67 3.07 -1.87 -0.91 115.11 115.65 2e9j h GLN 63 Ca -0.33 -0.06 -0.09 0.00 0.09 0.00 0.00 58.65 58.26 2e9j h GLN 63 Cb 0.99 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 28.33 2e9j h GLN 63 CO 0.27 0.61 -0.91 1.49 0.09 0.00 0.00 178.83 180.38 2e9j h GLU 64 N 0.95 0.00 0.00 0.06 4.81 -1.92 -3.48 114.58 115.00 2e9j h GLU 64 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2e9j h GLU 64 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2e9j h GLU 64 CO -0.23 0.23 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 2e9j n GLY 65 N 1.26 0.86 3.91 1.92 0.00 -0.35 -5.13 105.19 107.67 2e9j n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2e9j n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9j s LYS 66 N 0.28 3.52 0.23 1.61 1.02 -1.26 -4.71 119.74 120.42 2e9j s LYS 66 Ca 0.00 -0.31 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2e9j s LYS 66 Cb 0.00 -2.94 -0.09 0.00 -0.52 0.00 0.00 37.83 34.28 2e9j s LYS 66 CO 0.00 0.53 1.29 -1.25 -0.92 0.00 0.00 175.35 174.99 2e9j s PRO 67 N -2.70 4.41 -0.08 -1.68 0.04 -1.26 -2.15 135.00 131.58 2e9j s PRO 67 Ca 0.38 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.50 2e9j s PRO 67 Cb -0.12 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.25 2e9j s PRO 67 CO 0.27 -0.19 -0.18 0.15 0.04 0.00 0.00 177.00 177.08 2e9j s LYS 68 N -0.50 2.42 -0.06 4.56 -0.14 -1.22 -4.95 119.74 119.85 2e9j s LYS 68 Ca 0.54 -0.66 -0.29 0.00 -1.36 0.00 0.00 55.97 54.20 2e9j s LYS 68 Cb -0.36 -1.88 -0.07 0.00 -1.68 0.00 0.00 37.83 33.83 2e9j s LYS 68 CO 0.41 0.11 1.97 0.50 -0.76 0.00 0.00 175.35 177.57 2e9j s ARG 69 N 0.49 3.85 -0.08 1.68 3.52 -1.26 -4.79 118.95 122.37 2e9j s ARG 69 Ca -0.17 2.33 0.05 0.00 -0.13 0.00 0.00 55.73 57.81 2e9j s ARG 69 Cb -0.17 -4.19 -0.01 0.00 -1.56 0.00 0.00 34.95 29.02 2e9j s ARG 69 CO 0.06 -1.27 -0.23 0.00 -0.81 0.00 0.00 175.30 173.05 2e9j s ALA 70 N 5.48 2.23 0.12 6.12 0.00 -1.26 -4.40 121.76 130.06 2e9j s ALA 70 Ca 0.89 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 2e9j s ALA 70 Cb -0.38 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 2e9j s ALA 70 CO 0.38 0.37 0.44 0.42 0.00 0.00 0.00 175.76 177.37 2e9j s ILE 71 N 0.00 5.04 -0.23 0.00 1.01 -0.61 -5.00 121.20 121.42 2e9j s ILE 71 Ca -0.08 0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.99 2e9j s ILE 71 Cb -0.15 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.67 2e9j s ILE 71 CO 0.05 0.18 -0.06 -0.69 0.00 0.00 0.00 174.94 174.43 2e9j s VAL 72 N -1.52 3.12 -0.21 2.92 1.01 -1.26 -3.01 120.40 121.46 2e9j s VAL 72 Ca 0.37 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2e9j s VAL 72 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2e9j s VAL 72 CO 0.20 0.35 0.04 -1.00 0.00 0.00 0.00 175.10 174.68 2e9j s HIS 73 N 1.41 3.10 -0.26 5.22 3.76 -0.62 -5.05 115.29 122.86 2e9j s HIS 73 Ca 0.04 -0.31 -0.09 0.00 -0.15 0.00 0.00 55.06 54.55 2e9j s HIS 73 Cb -0.15 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 2e9j s HIS 73 CO -0.04 -0.17 0.12 0.16 -0.85 0.00 0.00 174.74 173.95 2e9j s ASP 74 N 1.02 5.52 -0.19 1.40 -4.77 -1.26 -3.10 116.67 115.29 2e9j s ASP 74 Ca 0.03 -0.11 0.09 0.00 -3.30 0.00 0.00 52.55 49.26 2e9j s ASP 74 Cb -0.14 -2.00 -0.18 0.00 -1.09 0.00 0.00 42.92 39.51 2e9j s ASP 74 CO 0.02 -0.03 -0.05 0.59 0.70 0.00 0.00 175.17 176.40 2e9j n ASN 75 N 4.90 1.55 -2.49 2.11 3.02 -1.26 -5.00 115.26 118.08 2e9j n ASN 75 Ca -0.15 -0.05 -0.21 0.00 -0.03 0.00 0.00 54.58 54.14 2e9j n ASN 75 Cb 0.52 0.36 -0.00 0.00 -0.61 0.00 0.00 39.78 40.04 2e9j n ASN 75 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2e9j n LYS 76 N -2.84 -2.17 -0.79 3.52 4.76 -1.26 -4.86 118.16 114.51 2e9j n LYS 76 Ca -0.32 0.97 0.06 0.00 -2.87 0.00 0.00 58.31 56.15 2e9j n LYS 76 Cb 0.98 -5.66 0.16 0.00 -1.84 0.00 0.00 35.03 28.66 2e9j n LYS 76 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2e9j n ASP 77 N -2.08 1.54 0.00 4.39 8.00 -1.26 -4.93 116.55 122.21 2e9j n ASP 77 Ca -0.22 -3.38 0.00 0.00 0.71 0.00 0.00 54.79 51.90 2e9j n ASP 77 Cb 0.67 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2e9j n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e9j n GLY 78 N -0.72 0.47 3.57 0.44 0.00 -1.26 -5.03 105.19 102.66 2e9j n GLY 78 Ca 0.15 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2e9j n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e9j s THR 79 N -2.00 0.00 -0.16 2.61 -4.23 -1.26 -4.08 115.64 106.51 2e9j s THR 79 Ca 0.00 -1.44 -0.15 0.00 -1.18 0.00 0.00 61.69 58.92 2e9j s THR 79 Cb 0.00 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.20 2e9j s THR 79 CO 0.00 0.00 0.44 -0.31 -0.54 0.00 0.00 174.62 174.21 2e9j s TYR 80 N -2.90 -0.48 0.03 3.99 2.02 -1.05 -4.33 117.35 114.63 2e9j s TYR 80 Ca 0.26 1.17 0.09 0.00 -0.37 0.00 0.00 57.07 58.23 2e9j s TYR 80 Cb -0.02 0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.68 2e9j s TYR 80 CO 0.18 -0.23 -0.26 0.00 -1.57 0.00 0.00 175.55 173.66 2e9j s ALA 81 N 0.26 2.26 -0.03 3.71 0.00 -1.18 -0.78 121.76 126.00 2e9j s ALA 81 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2e9j s ALA 81 Cb -0.03 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.62 2e9j s ALA 81 CO 0.00 0.54 0.01 0.08 0.00 0.00 0.00 175.76 176.39 2e9j s VAL 82 N -0.78 0.12 -0.03 0.00 1.01 -1.23 -1.59 120.40 117.91 2e9j s VAL 82 Ca 0.12 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2e9j s VAL 82 Cb -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2e9j s VAL 82 CO 0.02 0.14 -0.04 -0.89 0.00 0.00 0.00 175.10 174.32 2e9j s THR 83 N 1.11 3.88 -0.12 3.92 2.01 -1.16 -2.60 115.64 122.68 2e9j s THR 83 Ca -0.09 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 2e9j s THR 83 Cb -0.13 -2.67 0.04 0.00 0.01 0.00 0.00 72.50 69.75 2e9j s THR 83 CO -0.02 0.48 0.32 -0.72 -0.69 0.00 0.00 174.62 173.99 2e9j s TYR 84 N -0.95 -0.38 -0.37 4.92 -0.85 -0.59 -1.57 117.35 117.56 2e9j s TYR 84 Ca 0.16 0.90 -0.02 0.00 -0.52 0.00 0.00 57.07 57.59 2e9j s TYR 84 Cb -0.11 0.13 0.09 0.00 0.38 0.00 0.00 41.96 42.45 2e9j s TYR 84 CO 0.06 -0.20 0.13 0.42 -1.52 0.00 0.00 175.55 174.44 2e9j s ILE 85 N 0.42 3.08 -0.91 -3.49 1.01 -1.26 -2.51 121.20 117.55 2e9j s ILE 85 Ca -0.02 -1.90 -0.25 0.00 0.00 0.00 0.00 60.65 58.48 2e9j s ILE 85 Cb -0.04 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2e9j s ILE 85 CO -0.02 -0.52 1.95 -2.16 0.00 0.00 0.00 174.94 174.19 2e9j s PRO 86 N 1.14 2.56 0.07 2.79 0.04 -1.26 -4.83 135.00 135.51 2e9j s PRO 86 Ca 0.05 -0.30 -0.29 0.00 0.04 0.00 0.00 61.00 60.49 2e9j s PRO 86 Cb -0.21 -5.07 -0.18 0.00 0.04 0.00 0.00 34.50 29.08 2e9j s PRO 86 CO -0.04 -3.39 1.61 -0.44 0.04 0.00 0.00 177.00 174.79 2e9j h ASP 87 N 11.26 -0.49 -2.95 6.66 5.19 -1.97 -3.04 116.42 131.07 2e9j h ASP 87 Ca 0.10 -0.01 -0.62 0.00 -0.62 0.00 0.00 57.03 55.88 2e9j h ASP 87 Cb 1.00 0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.58 2e9j h ASP 87 CO 1.21 -0.32 -0.28 -1.59 -3.12 0.00 0.00 179.24 175.14 2e9j s LYS 88 N -5.93 3.84 0.93 3.56 0.00 -1.26 -4.68 119.74 116.20 2e9j s LYS 88 Ca -0.16 0.26 -0.13 0.00 0.00 0.00 0.00 55.97 55.94 2e9j s LYS 88 Cb 0.04 -3.24 0.15 0.00 0.00 0.00 0.00 37.83 34.78 2e9j s LYS 88 CO 0.62 0.66 1.15 0.95 0.00 0.00 0.00 175.35 178.74 2e9j s THR 89 N -0.89 1.98 -0.02 3.79 -4.23 -1.26 -4.92 115.64 110.08 2e9j s THR 89 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2e9j s THR 89 Cb -0.15 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.92 2e9j s THR 89 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2e9j n GLY 90 N -2.31 0.12 3.51 3.99 0.00 -1.26 -4.96 105.19 104.30 2e9j n GLY 90 Ca 0.08 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2e9j n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e9j s ARG 91 N -0.50 2.19 -0.02 1.61 1.70 -1.26 -0.98 118.95 121.70 2e9j s ARG 91 Ca 0.00 -0.93 0.06 0.00 -0.47 0.00 0.00 55.73 54.38 2e9j s ARG 91 Cb 0.00 -2.28 -0.01 0.00 -0.57 0.00 0.00 34.95 32.09 2e9j s ARG 91 CO 0.00 0.55 -0.18 0.71 -1.08 0.00 0.00 175.30 175.29 2e9j s TYR 92 N -1.00 1.67 -0.32 5.89 2.02 -0.09 -2.58 117.35 122.94 2e9j s TYR 92 Ca 0.16 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2e9j s TYR 92 Cb -0.11 -1.08 0.07 0.00 -0.40 0.00 0.00 41.96 40.44 2e9j s TYR 92 CO 0.07 -0.04 0.03 1.41 -1.57 0.00 0.00 175.55 175.45 2e9j s MET 93 N -0.41 2.21 -0.22 -0.62 -2.45 -1.02 -2.58 119.30 114.21 2e9j s MET 93 Ca 0.06 -1.45 -0.08 0.00 -1.25 0.00 0.00 55.69 52.97 2e9j s MET 93 Cb -0.07 -3.22 -0.04 0.00 1.25 0.00 0.00 34.83 32.75 2e9j s MET 93 CO -0.01 -0.74 0.10 0.42 1.05 0.00 0.00 175.02 175.85 2e9j s ILE 94 N 1.17 4.86 -0.46 10.11 1.01 -1.13 -2.93 121.20 133.82 2e9j s ILE 94 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 2e9j s ILE 94 Cb -0.20 -3.24 0.12 0.00 0.01 0.00 0.00 42.46 39.15 2e9j s ILE 94 CO -0.03 0.39 0.23 -0.83 0.00 0.00 0.00 174.94 174.71 2e9j s GLY 95 N 0.91 2.18 0.16 6.18 0.00 -0.63 -0.83 107.32 115.29 2e9j s GLY 95 Ca 0.05 -2.83 -0.30 0.00 0.00 0.00 0.00 44.72 41.64 2e9j s GLY 95 CO 0.03 1.02 0.94 0.14 0.00 0.00 0.00 173.10 175.24 2e9j s VAL 96 N 0.56 4.34 0.02 1.40 1.01 -1.26 -3.81 120.40 122.65 2e9j s VAL 96 Ca 0.12 2.06 0.03 0.00 0.00 0.00 0.00 61.98 64.20 2e9j s VAL 96 Cb -0.22 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 2e9j s VAL 96 CO -0.04 0.39 -0.10 0.42 0.00 0.00 0.00 175.10 175.77 2e9j s THR 97 N -0.48 0.77 -0.15 3.92 -4.23 -1.23 -2.73 115.64 111.51 2e9j s THR 97 Ca 0.44 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 2e9j s THR 97 Cb -0.24 -0.70 0.04 0.00 1.34 0.00 0.00 72.50 72.94 2e9j s THR 97 CO 0.30 0.02 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.92 2e9j s TYR 98 N -0.61 1.29 -0.81 3.99 5.04 -0.34 -2.52 117.35 123.38 2e9j s TYR 98 Ca 0.00 -0.81 -0.04 0.00 -2.44 0.00 0.00 57.07 53.79 2e9j s TYR 98 Cb -0.06 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.13 2e9j s TYR 98 CO 0.00 -0.55 0.70 0.41 -1.34 0.00 0.00 175.55 174.78 2e9j n GLY 99 N 4.98 0.00 2.62 8.97 0.00 -0.38 -2.95 105.19 118.43 2e9j n GLY 99 Ca -0.10 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2e9j n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e9j n GLY 100 N -1.34 -0.34 3.05 -0.02 0.00 -1.26 -4.89 105.19 100.39 2e9j n GLY 100 Ca -0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2e9j n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e9j s ASP 101 N -2.53 0.26 0.36 1.61 1.01 -1.15 -5.14 116.67 111.08 2e9j s ASP 101 Ca 0.15 0.60 -0.28 0.00 0.71 0.00 0.00 52.55 53.74 2e9j s ASP 101 Cb -0.07 0.89 -0.10 0.00 1.01 0.00 0.00 42.92 44.65 2e9j s ASP 101 CO 0.19 -0.25 1.29 1.51 0.21 0.00 0.00 175.17 178.12 2e9j s ASP 102 N 2.48 6.62 0.51 0.27 1.47 -1.26 -1.20 116.67 125.56 2e9j s ASP 102 Ca 0.02 2.64 -0.18 0.00 1.18 0.00 0.00 52.55 56.21 2e9j s ASP 102 Cb -0.13 -2.64 -0.08 0.00 -0.34 0.00 0.00 42.92 39.74 2e9j s ASP 102 CO -0.11 -0.63 1.00 0.27 0.68 0.00 0.00 175.17 176.39 2e9j s ILE 103 N -1.20 4.21 -2.00 2.11 -4.36 -1.10 -4.84 121.20 114.02 2e9j s ILE 103 Ca 0.52 1.16 0.12 0.00 -0.26 0.00 0.00 60.65 62.19 2e9j s ILE 103 Cb -0.38 -3.57 0.34 0.00 1.25 0.00 0.00 42.46 40.10 2e9j s ILE 103 CO 0.50 -0.50 1.15 -0.81 0.24 0.00 0.00 174.94 175.52 2e9j n PRO 104 N -1.42 0.49 -0.03 0.37 -0.04 -1.26 -2.17 135.00 130.94 2e9j n PRO 104 Ca 0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2e9j n PRO 104 Cb 0.53 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.47 2e9j n PRO 104 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2e9j n LEU 105 N -0.89 0.29 -4.92 1.53 7.99 -1.26 -4.96 117.00 114.78 2e9j n LEU 105 Ca 0.09 0.13 -0.26 0.00 -0.01 0.00 0.00 56.01 55.96 2e9j n LEU 105 Cb 0.04 0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 2e9j n LEU 105 CO 0.07 0.24 0.37 -0.44 -1.51 0.00 0.00 177.39 176.12 2e9j s SER 106 N -5.31 6.17 1.25 -1.43 0.01 -0.92 -4.50 113.70 108.97 2e9j s SER 106 Ca -0.07 0.73 -0.21 0.00 1.31 0.00 0.00 55.95 57.71 2e9j s SER 106 Cb 0.09 -2.08 0.31 0.00 0.21 0.00 0.00 66.02 64.55 2e9j s SER 106 CO 0.85 -0.56 1.11 -2.16 0.41 0.00 0.00 173.24 172.89 2e9j s PRO 107 N -4.64 -1.64 -0.12 12.44 0.04 -1.26 -4.90 135.00 134.91 2e9j s PRO 107 Ca 0.46 -0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.31 2e9j s PRO 107 Cb -0.10 -1.56 -0.00 0.00 0.04 0.00 0.00 34.50 32.88 2e9j s PRO 107 CO 0.42 -3.96 -0.21 0.71 0.04 0.00 0.00 177.00 174.00 2e9j s TYR 108 N -3.02 2.65 -0.30 0.56 1.51 -0.01 -4.92 117.35 113.82 2e9j s TYR 108 Ca 0.72 -1.02 -0.15 0.00 -1.01 0.00 0.00 57.07 55.61 2e9j s TYR 108 Cb -0.07 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2e9j s TYR 108 CO 0.56 -0.42 0.39 1.03 -1.11 0.00 0.00 175.55 176.00 2e9j s ARG 109 N 0.47 3.85 0.04 -0.62 0.52 -1.26 -2.83 118.95 119.12 2e9j s ARG 109 Ca -0.14 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 2e9j s ARG 109 Cb -0.17 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.56 2e9j s ARG 109 CO 0.06 -0.39 -0.09 0.42 0.02 0.00 0.00 175.30 175.31 2e9j s ILE 110 N 2.10 0.69 -0.08 1.52 1.01 -1.06 -4.80 121.20 120.58 2e9j s ILE 110 Ca 0.15 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2e9j s ILE 110 Cb -0.16 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2e9j s ILE 110 CO 0.11 -0.28 -0.14 -0.13 0.00 0.00 0.00 174.94 174.50 2e9j s ARG 111 N -1.46 1.90 -0.56 2.79 0.52 -1.26 -0.91 118.95 119.96 2e9j s ARG 111 Ca -0.06 -0.47 -0.24 0.00 -0.52 0.00 0.00 55.73 54.44 2e9j s ARG 111 Cb -0.09 -1.57 0.05 0.00 0.52 0.00 0.00 34.95 33.85 2e9j s ARG 111 CO 0.01 0.01 0.94 0.00 0.02 0.00 0.00 175.30 176.28 2e9j s ALA 112 N 0.74 3.16 0.03 2.13 0.00 -0.15 -2.03 121.76 125.64 2e9j s ALA 112 Ca -0.13 -1.33 -0.19 0.00 0.00 0.00 0.00 51.96 50.31 2e9j s ALA 112 Cb -0.16 -3.74 -0.06 0.00 0.00 0.00 0.00 23.12 19.16 2e9j s ALA 112 CO 0.03 -2.43 0.54 -0.08 0.00 0.00 0.00 175.76 173.83 2e9j s THR 113 N 3.93 4.86 0.20 0.00 -1.32 -0.74 -3.98 115.64 118.59 2e9j s THR 113 Ca 0.29 1.15 0.10 0.00 -1.21 0.00 0.00 61.69 62.01 2e9j s THR 113 Cb -0.13 -3.87 -0.04 0.00 -1.51 0.00 0.00 72.50 66.94 2e9j s THR 113 CO 0.18 0.51 -0.19 -1.58 -2.21 0.00 0.00 174.62 171.32 2e9j s GLN 114 N -0.73 1.41 0.03 7.08 0.74 -1.26 -2.52 119.66 124.41 2e9j s GLN 114 Ca 0.28 -1.54 0.06 0.00 0.05 0.00 0.00 55.36 54.22 2e9j s GLN 114 Cb -0.18 -1.48 -0.02 0.00 1.10 0.00 0.00 33.01 32.42 2e9j s GLN 114 CO 0.17 0.29 -0.17 0.95 -0.55 0.00 0.00 175.29 175.98 2e9j s THR 115 N -2.23 1.35 0.00 -0.34 -4.23 -1.26 -5.08 115.64 103.85 2e9j s THR 115 Ca 0.21 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2e9j s THR 115 Cb -0.05 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.61 2e9j s THR 115 CO 0.09 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 2e9j n GLY 116 N 2.10 1.56 3.95 3.99 0.00 -1.26 -5.08 105.19 110.45 2e9j n GLY 116 Ca -0.17 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 2e9j n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e9j s ASP 117 N -0.50 5.04 0.04 1.61 2.15 -1.26 -5.14 116.67 118.61 2e9j s ASP 117 Ca 0.00 -0.86 0.03 0.00 0.43 0.00 0.00 52.55 52.15 2e9j s ASP 117 Cb 0.00 -0.09 -0.02 0.00 -0.30 0.00 0.00 42.92 42.51 2e9j s ASP 117 CO 0.00 -0.97 -0.09 0.00 -0.17 0.00 0.00 175.17 173.94 2e9j s ALA 118 N -2.59 0.69 -2.48 3.66 0.00 -1.26 -5.31 121.76 114.47 2e9j s ALA 118 Ca 0.49 -0.75 0.28 0.00 0.00 0.00 0.00 51.96 51.98 2e9j s ALA 118 Cb -0.05 -0.01 1.09 0.00 0.00 0.00 0.00 23.12 24.15 2e9j s ALA 118 CO 0.30 0.04 1.77 0.45 0.00 0.00 0.00 175.76 178.31