#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9j n SER 2 N 0.00 0.32 -4.30 1.61 7.64 -1.26 -4.96 113.62 112.68 2e9j n SER 2 Ca 0.00 1.15 -0.22 0.00 1.01 0.00 0.00 58.87 60.81 2e9j n SER 2 Cb 0.00 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 2e9j n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e9j s SER 3 N 0.05 2.30 0.00 6.43 0.01 -1.26 -5.16 113.70 116.07 2e9j s SER 3 Ca 0.88 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2e9j s SER 3 Cb -1.17 0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.24 2e9j s SER 3 CO 0.55 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2e9j n GLY 4 N -0.73 -1.70 3.01 3.44 0.00 -1.26 -5.16 105.19 102.79 2e9j n GLY 4 Ca -0.03 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 2e9j n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9j s SER 5 N -0.75 -0.17 0.47 1.61 0.15 -1.26 -5.16 113.70 108.58 2e9j s SER 5 Ca 0.00 0.36 -0.02 0.00 0.70 0.00 0.00 55.95 57.00 2e9j s SER 5 Cb 0.00 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2e9j s SER 5 CO 0.00 -0.11 0.71 -0.44 1.20 0.00 0.00 173.24 174.60 2e9j s SER 6 N 0.69 5.94 0.00 5.45 0.01 -1.26 -5.04 113.70 119.49 2e9j s SER 6 Ca -0.05 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2e9j s SER 6 Cb -0.07 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.39 2e9j s SER 6 CO -0.04 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2e9j n GLY 7 N -2.16 3.84 0.66 3.44 0.00 -1.26 -5.08 105.19 104.64 2e9j n GLY 7 Ca 0.01 -1.45 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 2e9j n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9j n ARG 8 N -0.69 0.22 -3.71 1.61 1.74 -1.26 -5.09 116.66 109.48 2e9j n ARG 8 Ca 0.00 0.09 -0.13 0.00 -0.77 0.00 0.00 57.85 57.03 2e9j n ARG 8 Cb 0.00 -0.88 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 2e9j n ARG 8 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2e9j s SER 9 N -5.97 -0.47 0.53 0.55 0.15 -1.26 -5.16 113.70 102.07 2e9j s SER 9 Ca -0.12 0.86 -0.20 0.00 0.70 0.00 0.00 55.95 57.19 2e9j s SER 9 Cb 0.02 0.89 -0.06 0.00 -1.71 0.00 0.00 66.02 65.16 2e9j s SER 9 CO 0.18 -0.20 1.14 -2.16 1.20 0.00 0.00 173.24 173.39 2e9j s PRO 10 N 0.07 3.44 -0.56 5.44 0.04 -1.26 -5.02 135.00 137.15 2e9j s PRO 10 Ca -0.02 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.71 2e9j s PRO 10 Cb -0.03 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.57 2e9j s PRO 10 CO 0.01 -0.78 0.34 -0.06 0.04 0.00 0.00 177.00 176.55 2e9j s PHE 11 N -1.72 2.92 0.18 0.56 0.40 -1.26 -5.07 117.98 113.99 2e9j s PHE 11 Ca 0.71 -3.02 -0.17 0.00 -0.60 0.00 0.00 56.93 53.85 2e9j s PHE 11 Cb -0.25 -2.45 0.03 0.00 0.51 0.00 0.00 43.02 40.85 2e9j s PHE 11 CO 0.28 -0.69 0.49 -1.59 0.70 0.00 0.00 175.22 174.42 2e9j s LYS 12 N -0.54 1.33 0.88 0.44 0.00 -1.26 -5.17 119.74 115.41 2e9j s LYS 12 Ca 0.21 -0.86 -0.13 0.00 0.00 0.00 0.00 55.97 55.19 2e9j s LYS 12 Cb -0.16 0.51 0.12 0.00 0.00 0.00 0.00 37.83 38.29 2e9j s LYS 12 CO -0.07 -0.55 1.17 0.14 0.00 0.00 0.00 175.35 176.03 2e9j s VAL 13 N -3.87 1.99 -0.18 1.79 -7.23 -1.26 -5.10 120.40 106.55 2e9j s VAL 13 Ca 0.09 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 2e9j s VAL 13 Cb -0.00 -2.87 0.14 0.00 0.56 0.00 0.00 36.38 34.20 2e9j s VAL 13 CO -0.04 0.00 1.09 -0.75 -0.31 0.00 0.00 175.10 175.09 2e9j s LYS 14 N -5.46 0.46 0.51 4.82 2.20 -1.26 -5.18 119.74 115.83 2e9j s LYS 14 Ca 0.64 0.05 0.08 0.00 -0.36 0.00 0.00 55.97 56.39 2e9j s LYS 14 Cb -0.12 0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.46 2e9j s LYS 14 CO 0.51 -0.16 0.63 0.14 -0.36 0.00 0.00 175.35 176.12 2e9j s VAL 15 N -1.39 2.41 0.41 4.02 -7.23 -1.26 -5.05 120.40 112.30 2e9j s VAL 15 Ca 0.02 -1.10 -0.21 0.00 -1.81 0.00 0.00 61.98 58.88 2e9j s VAL 15 Cb -0.01 -2.50 -0.15 0.00 0.56 0.00 0.00 36.38 34.28 2e9j s VAL 15 CO -0.02 0.00 0.18 0.18 -0.31 0.00 0.00 175.10 175.13 2e9j n LEU 16 N -1.99 -2.30 -4.61 1.32 4.77 -1.26 -4.93 117.00 107.99 2e9j n LEU 16 Ca 0.10 0.83 -0.30 0.00 -0.03 0.00 0.00 56.01 56.61 2e9j n LEU 16 Cb 0.61 -0.93 0.23 0.00 -2.33 0.00 0.00 43.42 41.00 2e9j n LEU 16 CO 0.40 -3.94 0.62 -2.16 -1.33 0.00 0.00 177.39 170.98 2e9j s PRO 17 N -1.12 -0.87 -0.01 3.23 0.04 -1.26 -5.01 135.00 130.00 2e9j s PRO 17 Ca 0.60 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.76 2e9j s PRO 17 Cb -0.63 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 2e9j s PRO 17 CO 0.62 -3.51 0.11 2.41 0.04 0.00 0.00 177.00 176.67 2e9j n THR 18 N -4.64 0.00 -1.82 1.26 -1.04 -1.26 -5.04 114.28 101.74 2e9j n THR 18 Ca 0.11 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.62 2e9j n THR 18 Cb 0.59 0.41 0.04 0.00 -1.82 0.00 0.00 70.33 69.55 2e9j n THR 18 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2e9j s TYR 19 N -2.31 2.31 -0.17 -1.42 -0.85 -1.26 -4.45 117.35 109.20 2e9j s TYR 19 Ca -0.02 1.40 -0.04 0.00 -0.52 0.00 0.00 57.07 57.90 2e9j s TYR 19 Cb 0.03 -3.75 0.08 0.00 0.38 0.00 0.00 41.96 38.70 2e9j s TYR 19 CO 0.20 -2.78 0.21 -0.51 -1.52 0.00 0.00 175.55 171.15 2e9j s ASP 20 N -1.06 1.19 0.17 -0.18 1.01 -1.24 -4.92 116.67 111.64 2e9j s ASP 20 Ca 0.72 -0.04 -0.15 0.00 0.71 0.00 0.00 52.55 53.80 2e9j s ASP 20 Cb -0.39 0.37 0.09 0.00 1.01 0.00 0.00 42.92 44.00 2e9j s ASP 20 CO 0.45 -0.30 1.78 0.00 0.21 0.00 0.00 175.17 177.31 2e9j h ALA 21 N 8.33 0.54 -1.06 5.23 0.00 -1.87 -1.49 119.26 128.93 2e9j h ALA 21 Ca -0.16 0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.07 2e9j h ALA 21 Cb 1.14 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2e9j h ALA 21 CO 0.24 -0.15 0.74 0.77 0.00 0.00 0.00 179.25 180.84 2e9j h SER 22 N 0.42 0.16 -0.40 0.00 0.02 -1.92 0.43 113.55 112.26 2e9j h SER 22 Ca 0.19 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.94 2e9j h SER 22 Cb 0.11 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 2e9j h SER 22 CO -0.14 0.03 0.29 0.29 -1.14 0.00 0.00 176.83 176.17 2e9j n LYS 23 N -4.36 1.56 -3.95 3.45 4.76 -0.56 -4.77 118.16 114.29 2e9j n LYS 23 Ca 0.24 -1.24 -0.30 0.00 -2.87 0.00 0.00 58.31 54.14 2e9j n LYS 23 Cb 1.04 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 32.59 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 -1.54 1.49 0.28 -0.18 1.01 0.15 -3.49 120.40 118.12 2e9j s VAL 24 Ca 0.24 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2e9j s VAL 24 Cb 0.20 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 2e9j s VAL 24 CO 0.03 0.08 -0.08 0.42 0.00 0.00 0.00 175.10 175.55 2e9j s THR 25 N 1.45 1.75 0.01 3.92 -4.23 -1.24 -4.92 115.64 112.38 2e9j s THR 25 Ca -0.02 -2.15 -0.04 0.00 -1.18 0.00 0.00 61.69 58.30 2e9j s THR 25 Cb -0.17 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 2e9j s THR 25 CO -0.07 -0.32 0.06 0.00 -0.54 0.00 0.00 174.62 173.74 2e9j s ALA 26 N -2.95 -0.12 -0.02 3.99 0.00 -1.26 -2.28 121.76 119.12 2e9j s ALA 26 Ca 0.29 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 2e9j s ALA 26 Cb 0.03 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.28 2e9j s ALA 26 CO 0.12 -0.18 0.22 -1.12 0.00 0.00 0.00 175.76 174.80 2e9j s SER 27 N -1.36 -0.10 0.00 0.00 0.01 -0.93 -5.00 113.70 106.31 2e9j s SER 27 Ca -0.15 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2e9j s SER 27 Cb -0.08 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2e9j s SER 27 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2e9j n GLY 28 N 1.55 0.29 0.24 3.44 0.00 -1.26 -2.44 105.19 107.02 2e9j n GLY 28 Ca -0.21 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 5.42 0.71 -0.85 1.61 0.13 -1.99 -3.08 132.00 133.95 2e9j h PRO 29 Ca 0.00 -0.37 0.22 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 31.10 2e9j h PRO 29 CO 0.00 0.99 0.59 0.78 -0.23 0.00 0.00 178.00 180.13 2e9j h GLY 30 N 0.95 0.37 -2.26 1.56 0.00 -1.87 0.26 103.07 102.08 2e9j h GLY 30 Ca 0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 2e9j h GLY 30 CO 0.09 -0.00 0.06 1.04 0.00 0.00 0.00 176.54 177.72 2e9j n LEU 31 N -4.39 4.53 -4.65 3.11 4.77 -1.17 -4.99 117.00 114.21 2e9j n LEU 31 Ca 0.18 -3.37 -0.42 0.00 -0.03 0.00 0.00 56.01 52.36 2e9j n LEU 31 Cb 0.81 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2e9j n LEU 31 CO 0.35 0.94 1.55 -0.55 -1.33 0.00 0.00 177.39 178.34 2e9j s SER 32 N -1.97 6.33 0.28 -1.43 0.15 0.90 -4.87 113.70 113.08 2e9j s SER 32 Ca 0.46 2.26 -0.01 0.00 0.70 0.00 0.00 55.95 59.36 2e9j s SER 32 Cb 0.39 -2.53 0.40 0.00 -1.71 0.00 0.00 66.02 62.57 2e9j s SER 32 CO 0.06 -1.21 1.81 0.77 1.20 0.00 0.00 173.24 175.87 2e9j h SER 33 N 11.10 0.73 -0.41 5.45 4.64 -1.88 -2.47 113.55 130.70 2e9j h SER 33 Ca -0.43 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2e9j h SER 33 Cb 1.21 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2e9j h SER 33 CO 0.96 0.76 0.27 1.88 -0.87 0.00 0.00 176.83 179.83 2e9j h TYR 34 N 0.74 0.53 0.00 4.77 -1.99 -1.96 -3.45 116.97 115.62 2e9j h TYR 34 Ca 0.16 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.90 2e9j h TYR 34 Cb 0.36 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.91 2e9j h TYR 34 CO 0.02 0.34 0.00 0.41 -0.00 0.00 0.00 178.16 178.93 2e9j n GLY 35 N -1.45 4.24 3.41 3.88 0.00 -0.93 -4.95 105.19 109.40 2e9j n GLY 35 Ca 0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.15 2.44 -0.16 1.61 -7.23 -0.51 -4.79 120.40 109.61 2e9j s VAL 36 Ca 0.00 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 2e9j s VAL 36 Cb 0.00 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 2e9j s VAL 36 CO 0.00 0.17 1.57 -2.16 -0.31 0.00 0.00 175.10 174.37 2e9j s PRO 37 N -1.88 3.97 0.94 4.82 0.04 -1.26 -0.21 135.00 141.43 2e9j s PRO 37 Ca 0.15 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 2e9j s PRO 37 Cb -0.10 -3.98 0.11 0.00 0.04 0.00 0.00 34.50 30.57 2e9j s PRO 37 CO 0.06 -1.07 0.88 0.00 0.04 0.00 0.00 177.00 176.91 2e9j n ALA 38 N 7.78 -1.52 -3.77 8.56 0.00 -1.25 -2.71 120.51 127.59 2e9j n ALA 38 Ca 0.18 -0.60 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 2e9j n ALA 38 Cb 0.44 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 2e9j n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2e9j n SER 39 N -3.25 -3.34 -3.72 0.00 7.64 -1.04 -4.93 113.62 104.97 2e9j n SER 39 Ca 0.10 -0.67 -0.22 0.00 1.01 0.00 0.00 58.87 59.09 2e9j n SER 39 Cb 0.53 -2.76 -0.18 0.00 -1.01 0.00 0.00 64.21 60.79 2e9j n SER 39 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2e9j s LEU 40 N -6.81 0.45 -0.69 -3.43 1.98 -1.10 -5.03 118.68 104.05 2e9j s LEU 40 Ca 0.56 -0.10 -0.26 0.00 -2.89 0.00 0.00 54.13 51.44 2e9j s LEU 40 Cb -0.31 -0.33 -0.03 0.00 0.66 0.00 0.00 46.19 46.19 2e9j s LEU 40 CO 0.69 -0.23 1.89 -2.16 -1.89 0.00 0.00 176.35 174.65 2e9j s PRO 41 N 2.05 2.60 -0.03 0.98 0.04 -1.26 -4.44 135.00 134.93 2e9j s PRO 41 Ca 0.04 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2e9j s PRO 41 Cb -0.13 -4.58 -0.04 0.00 0.04 0.00 0.00 34.50 29.80 2e9j s PRO 41 CO -0.05 -2.92 0.02 0.54 0.04 0.00 0.00 177.00 174.63 2e9j s VAL 42 N 9.39 4.32 0.03 -0.36 0.11 -1.09 -4.84 120.40 127.96 2e9j s VAL 42 Ca 0.68 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 2e9j s VAL 42 Cb -0.11 -2.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.82 2e9j s VAL 42 CO 0.15 0.45 -0.10 1.51 -3.33 0.00 0.00 175.10 173.77 2e9j s ASP 43 N -1.37 1.16 0.34 3.54 1.47 -1.26 -1.24 116.67 119.31 2e9j s ASP 43 Ca 0.18 -0.39 0.03 0.00 1.18 0.00 0.00 52.55 53.55 2e9j s ASP 43 Cb -0.12 -0.06 0.03 0.00 -0.34 0.00 0.00 42.92 42.44 2e9j s ASP 43 CO 0.08 -0.03 0.24 2.22 0.68 0.00 0.00 175.17 178.37 2e9j n PHE 44 N 2.05 -0.87 -4.22 2.11 -1.74 -1.18 -4.33 117.46 109.29 2e9j n PHE 44 Ca -0.18 -1.45 -0.23 0.00 -0.56 0.00 0.00 57.45 55.03 2e9j n PHE 44 Cb 0.56 -0.28 -0.17 0.00 1.52 0.00 0.00 39.48 41.11 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 -2.49 0.95 -0.51 1.98 0.00 -1.02 -3.26 121.76 117.40 2e9j s ALA 45 Ca 0.19 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 2e9j s ALA 45 Cb -0.01 -0.57 0.09 0.00 0.00 0.00 0.00 23.12 22.62 2e9j s ALA 45 CO 0.12 -0.08 0.52 0.42 0.00 0.00 0.00 175.76 176.74 2e9j s ILE 46 N 1.05 5.08 -0.28 0.00 1.01 0.82 -2.18 121.20 126.70 2e9j s ILE 46 Ca -0.08 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.37 2e9j s ILE 46 Cb -0.14 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 2e9j s ILE 46 CO -0.00 -0.78 0.50 -1.81 0.00 0.00 0.00 174.94 172.84 2e9j s ASP 47 N 3.01 6.39 -0.19 3.58 1.11 -0.97 -2.91 116.67 126.69 2e9j s ASP 47 Ca 0.07 0.38 -0.03 0.00 0.18 0.00 0.00 52.55 53.15 2e9j s ASP 47 Cb -0.24 -2.27 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 2e9j s ASP 47 CO 0.07 -0.32 -0.05 0.00 1.18 0.00 0.00 175.17 176.05 2e9j s ALA 48 N 2.31 2.86 -0.19 5.23 0.00 -1.26 -3.61 121.76 127.11 2e9j s ALA 48 Ca 0.20 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2e9j s ALA 48 Cb -0.16 -1.61 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 2e9j s ALA 48 CO 0.10 -0.13 -0.25 0.54 0.00 0.00 0.00 175.76 176.03 2e9j n ARG 49 N 4.22 0.52 -0.46 0.00 5.12 -1.26 -4.69 116.66 120.11 2e9j n ARG 49 Ca -0.18 0.34 0.07 0.00 -1.93 0.00 0.00 57.85 56.16 2e9j n ARG 49 Cb 0.52 -1.54 0.16 0.00 -1.16 0.00 0.00 32.46 30.43 2e9j n ARG 49 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2e9j n ASP 50 N -4.46 1.80 -0.86 0.55 8.00 -1.26 -4.71 116.55 115.60 2e9j n ASP 50 Ca -0.22 -3.34 0.03 0.00 0.71 0.00 0.00 54.79 51.97 2e9j n ASP 50 Cb 0.54 -0.46 0.14 0.00 -0.02 0.00 0.00 41.12 41.32 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9j n ALA 51 N -1.06 2.85 -0.01 2.24 0.00 -1.23 -4.30 120.51 119.00 2e9j n ALA 51 Ca 0.16 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2e9j n ALA 51 Cb 0.71 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2e9j n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e9j n GLY 52 N 0.44 2.43 2.81 0.00 0.00 -1.26 -3.59 105.19 106.02 2e9j n GLY 52 Ca 0.10 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2e9j n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e9j s GLU 53 N 0.00 0.35 0.30 1.61 -1.05 -1.26 -4.96 118.70 113.69 2e9j s GLU 53 Ca 0.00 0.09 -0.15 0.00 -0.15 0.00 0.00 54.97 54.76 2e9j s GLU 53 Cb 0.00 -0.57 0.02 0.00 -0.44 0.00 0.00 34.13 33.13 2e9j s GLU 53 CO 0.00 -0.16 0.61 0.20 0.95 0.00 0.00 175.26 176.86 2e9j s GLY 54 N 1.21 0.44 -0.43 -3.83 0.00 -1.26 -4.61 107.32 98.83 2e9j s GLY 54 Ca -0.07 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.59 2e9j s GLY 54 CO -0.02 -0.45 1.18 -2.27 0.00 0.00 0.00 173.10 171.54 2e9j s LEU 55 N -3.03 3.69 0.14 0.66 0.20 -1.26 -4.79 118.68 114.29 2e9j s LEU 55 Ca 0.19 0.66 -0.17 0.00 0.69 0.00 0.00 54.13 55.50 2e9j s LEU 55 Cb -0.03 -3.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.11 2e9j s LEU 55 CO 0.10 -1.22 0.59 -0.22 -0.29 0.00 0.00 176.35 175.32 2e9j s LEU 56 N 4.49 4.39 0.15 -0.68 2.96 -1.26 -2.26 118.68 126.46 2e9j s LEU 56 Ca 0.50 1.20 0.07 0.00 -0.22 0.00 0.00 54.13 55.68 2e9j s LEU 56 Cb -0.09 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2e9j s LEU 56 CO 0.29 0.13 -0.16 0.00 -1.32 0.00 0.00 176.35 175.29 2e9j s ALA 57 N -1.39 1.79 -0.17 5.97 0.00 -1.03 -5.04 121.76 121.88 2e9j s ALA 57 Ca 0.37 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2e9j s ALA 57 Cb -0.16 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2e9j s ALA 57 CO 0.20 0.16 -0.12 0.08 0.00 0.00 0.00 175.76 176.08 2e9j s VAL 58 N -2.16 1.57 -0.25 0.00 1.01 -1.26 -3.83 120.40 115.48 2e9j s VAL 58 Ca 0.13 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2e9j s VAL 58 Cb -0.05 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.82 2e9j s VAL 58 CO 0.05 0.31 -0.11 -1.58 0.00 0.00 0.00 175.10 173.76 2e9j s GLN 59 N 1.46 2.26 -0.11 2.72 0.74 -1.25 -5.04 119.66 120.44 2e9j s GLN 59 Ca 0.02 -1.26 0.04 0.00 0.05 0.00 0.00 55.36 54.21 2e9j s GLN 59 Cb -0.14 -2.82 0.00 0.00 1.10 0.00 0.00 33.01 31.14 2e9j s GLN 59 CO -0.09 -0.53 -0.23 0.42 -0.55 0.00 0.00 175.29 174.30 2e9j s ILE 60 N 1.15 2.08 0.19 -2.34 1.01 -1.26 -1.57 121.20 120.45 2e9j s ILE 60 Ca -0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 2e9j s ILE 60 Cb -0.19 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2e9j s ILE 60 CO -0.06 0.56 0.09 0.42 0.00 0.00 0.00 174.94 175.95 2e9j s THR 61 N 0.47 0.20 0.38 2.92 -4.23 -0.68 -2.93 115.64 111.75 2e9j s THR 61 Ca -0.16 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 2e9j s THR 61 Cb -0.17 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.34 2e9j s THR 61 CO 0.06 -0.18 0.22 -0.90 -0.54 0.00 0.00 174.62 173.27 2e9j n ASP 62 N -0.25 2.40 -0.29 3.99 5.68 -1.20 -2.06 116.55 124.82 2e9j n ASP 62 Ca -0.01 -2.37 0.18 0.00 -0.50 0.00 0.00 54.79 52.08 2e9j n ASP 62 Cb 0.65 0.04 0.45 0.00 -1.14 0.00 0.00 41.12 41.12 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 2e9j h GLN 63 N 0.00 0.50 0.00 0.11 3.07 -1.67 0.42 115.11 117.55 2e9j h GLN 63 Ca -0.25 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.37 2e9j h GLN 63 Cb 0.89 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.32 2e9j h GLN 63 CO 0.41 0.33 -0.41 1.49 0.09 0.00 0.00 178.83 180.74 2e9j h GLU 64 N 0.52 0.00 -0.08 0.06 4.57 -1.95 -3.48 114.58 114.22 2e9j h GLU 64 Ca 0.52 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 2e9j h GLU 64 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2e9j h GLU 64 CO -0.26 0.41 0.00 0.41 -1.18 0.00 0.00 179.01 178.39 2e9j n GLY 65 N 1.09 1.34 3.91 1.92 0.00 0.15 -5.09 105.19 108.51 2e9j n GLY 65 Ca 0.02 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.92 3.59 0.49 1.61 -0.14 -1.26 -4.77 119.74 117.34 2e9j s LYS 66 Ca 0.00 -0.12 -0.22 0.00 -1.36 0.00 0.00 55.97 54.28 2e9j s LYS 66 Cb 0.00 -2.69 -0.07 0.00 -1.68 0.00 0.00 37.83 33.39 2e9j s LYS 66 CO 0.00 0.24 1.15 -1.25 -0.76 0.00 0.00 175.35 174.74 2e9j s PRO 67 N -3.61 3.62 -0.02 -1.68 0.04 -1.26 -3.26 135.00 128.83 2e9j s PRO 67 Ca 0.42 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.21 2e9j s PRO 67 Cb -0.11 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 2e9j s PRO 67 CO 0.31 -0.66 -0.13 0.15 0.04 0.00 0.00 177.00 176.71 2e9j s LYS 68 N -2.91 1.14 0.02 4.56 -0.14 -1.15 -4.97 119.74 116.29 2e9j s LYS 68 Ca 0.67 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 54.53 2e9j s LYS 68 Cb -0.27 -1.07 -0.06 0.00 -1.68 0.00 0.00 37.83 34.75 2e9j s LYS 68 CO 0.32 0.24 1.46 0.50 -0.76 0.00 0.00 175.35 177.10 2e9j s ARG 69 N -0.14 4.26 0.07 1.68 3.52 -1.26 -4.77 118.95 122.31 2e9j s ARG 69 Ca 0.02 2.05 0.03 0.00 -0.13 0.00 0.00 55.73 57.70 2e9j s ARG 69 Cb -0.07 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 2e9j s ARG 69 CO 0.00 -0.62 -0.10 0.00 -0.81 0.00 0.00 175.30 173.77 2e9j s ALA 70 N 2.47 0.94 0.02 6.12 0.00 -1.26 -4.37 121.76 125.67 2e9j s ALA 70 Ca 0.66 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.65 2e9j s ALA 70 Cb -0.33 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2e9j s ALA 70 CO 0.28 0.01 -0.05 0.42 0.00 0.00 0.00 175.76 176.41 2e9j s ILE 71 N -1.87 3.76 -0.32 0.00 1.01 -0.68 -5.01 121.20 118.09 2e9j s ILE 71 Ca -0.01 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2e9j s ILE 71 Cb -0.07 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.77 2e9j s ILE 71 CO 0.00 0.34 0.08 0.54 0.00 0.00 0.00 174.94 175.91 2e9j s VAL 72 N -1.07 3.72 -0.40 2.92 0.11 -1.26 -2.58 120.40 121.84 2e9j s VAL 72 Ca 0.19 -1.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.01 2e9j s VAL 72 Cb -0.11 -3.06 0.01 0.00 -1.53 0.00 0.00 36.38 31.69 2e9j s VAL 72 CO 0.10 -0.11 0.41 -1.00 -3.33 0.00 0.00 175.10 171.17 2e9j s HIS 73 N 1.41 3.19 -0.22 1.54 3.76 0.47 -5.02 115.29 120.41 2e9j s HIS 73 Ca -0.01 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 2e9j s HIS 73 Cb -0.19 -2.81 -0.05 0.00 1.11 0.00 0.00 32.58 30.64 2e9j s HIS 73 CO 0.02 -0.63 0.20 -0.51 -0.85 0.00 0.00 174.74 172.96 2e9j s ASP 74 N 1.78 6.21 -0.14 1.40 1.11 -1.26 -1.99 116.67 123.77 2e9j s ASP 74 Ca 0.11 0.23 0.08 0.00 0.18 0.00 0.00 52.55 53.15 2e9j s ASP 74 Cb -0.17 -2.12 -0.14 0.00 1.07 0.00 0.00 42.92 41.55 2e9j s ASP 74 CO 0.13 0.08 -0.02 0.59 1.18 0.00 0.00 175.17 177.13 2e9j n ASN 75 N 4.05 2.16 -3.35 0.27 3.02 -1.26 -5.02 115.26 115.14 2e9j n ASN 75 Ca -0.14 -0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.14 2e9j n ASN 75 Cb 0.52 0.44 0.06 0.00 -0.61 0.00 0.00 39.78 40.19 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 -2.65 -6.53 0.00 3.52 4.01 -1.26 -4.86 118.16 110.39 2e9j n LYS 76 Ca -0.24 0.86 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 2e9j n LYS 76 Cb 0.88 -5.83 0.00 0.00 -0.51 0.00 0.00 35.03 29.57 2e9j n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2e9j n ASP 77 N -2.79 1.58 0.00 4.39 -0.08 -1.26 -4.99 116.55 113.40 2e9j n ASP 77 Ca -0.05 -0.25 0.00 0.00 -1.51 0.00 0.00 54.79 52.99 2e9j n ASP 77 Cb 0.59 0.81 0.00 0.00 2.34 0.00 0.00 41.12 44.86 2e9j n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2e9j n GLY 78 N 1.28 -0.11 3.31 0.27 0.00 -1.26 -5.14 105.19 103.54 2e9j n GLY 78 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.17 0.15 -0.04 2.61 -4.23 -1.26 -4.07 115.64 108.62 2e9j s THR 79 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 2e9j s THR 79 Cb 0.00 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.37 2e9j s THR 79 CO 0.00 0.00 0.20 -0.31 -0.54 0.00 0.00 174.62 173.97 2e9j s TYR 80 N -3.58 -0.13 0.10 3.99 1.51 -1.14 -4.24 117.35 113.86 2e9j s TYR 80 Ca 0.37 0.28 0.09 0.00 -1.01 0.00 0.00 57.07 56.80 2e9j s TYR 80 Cb 0.04 0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.89 2e9j s TYR 80 CO 0.21 -0.21 -0.24 0.00 -1.11 0.00 0.00 175.55 174.20 2e9j s ALA 81 N -0.61 2.09 -0.15 3.71 0.00 -0.84 -0.13 121.76 125.83 2e9j s ALA 81 Ca -0.07 -1.32 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 2e9j s ALA 81 Cb -0.04 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.81 2e9j s ALA 81 CO 0.01 0.46 0.18 0.08 0.00 0.00 0.00 175.76 176.49 2e9j s VAL 82 N -1.04 -0.27 0.16 0.00 1.01 -1.20 -0.39 120.40 118.66 2e9j s VAL 82 Ca 0.10 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 2e9j s VAL 82 Cb -0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 2e9j s VAL 82 CO 0.04 -0.07 0.55 -0.89 0.00 0.00 0.00 175.10 174.73 2e9j s THR 83 N 2.29 4.86 -0.17 3.92 2.01 -1.07 -3.10 115.64 124.38 2e9j s THR 83 Ca 0.04 0.79 -0.09 0.00 0.31 0.00 0.00 61.69 62.75 2e9j s THR 83 Cb -0.14 -3.72 0.06 0.00 0.01 0.00 0.00 72.50 68.71 2e9j s THR 83 CO -0.09 0.20 0.41 -0.72 -0.69 0.00 0.00 174.62 173.73 2e9j s TYR 84 N -1.51 -0.63 -0.48 4.92 -0.85 -0.37 -1.69 117.35 116.74 2e9j s TYR 84 Ca 0.39 1.32 -0.10 0.00 -0.52 0.00 0.00 57.07 58.16 2e9j s TYR 84 Cb -0.15 0.27 0.12 0.00 0.38 0.00 0.00 41.96 42.58 2e9j s TYR 84 CO 0.19 -0.37 0.37 0.42 -1.52 0.00 0.00 175.55 174.65 2e9j s ILE 85 N 1.62 4.40 -0.68 -3.49 1.01 -1.26 -2.66 121.20 120.13 2e9j s ILE 85 Ca -0.08 -1.71 -0.26 0.00 0.00 0.00 0.00 60.65 58.60 2e9j s ILE 85 Cb -0.09 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 2e9j s ILE 85 CO -0.13 -0.77 1.88 -2.16 0.00 0.00 0.00 174.94 173.76 2e9j s PRO 86 N 1.41 2.61 -0.20 2.79 0.04 -1.26 -4.82 135.00 135.57 2e9j s PRO 86 Ca 0.05 0.40 0.05 0.00 0.04 0.00 0.00 61.00 61.54 2e9j s PRO 86 Cb -0.27 -4.54 0.43 0.00 0.04 0.00 0.00 34.50 30.16 2e9j s PRO 86 CO 0.00 -2.88 1.39 -3.47 0.04 0.00 0.00 177.00 172.08 2e9j n ASP 87 N 13.03 3.60 -3.97 6.66 2.03 -1.26 -2.51 116.55 134.13 2e9j n ASP 87 Ca 0.25 -2.75 -0.08 0.00 0.52 0.00 0.00 54.79 52.73 2e9j n ASP 87 Cb 0.51 -0.66 -0.08 0.00 -0.72 0.00 0.00 41.12 40.17 2e9j n ASP 87 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2e9j s LYS 88 N -1.97 0.77 -0.11 -0.67 1.02 -1.26 -5.02 119.74 112.51 2e9j s LYS 88 Ca 0.32 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 55.25 2e9j s LYS 88 Cb 0.26 0.29 -0.00 0.00 -0.52 0.00 0.00 37.83 37.86 2e9j s LYS 88 CO 0.08 -0.21 -0.21 0.95 -0.92 0.00 0.00 175.35 175.03 2e9j s THR 89 N -3.90 2.28 0.00 2.17 -4.23 -1.26 -4.77 115.64 105.93 2e9j s THR 89 Ca 0.07 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2e9j s THR 89 Cb 0.06 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 72.01 2e9j s THR 89 CO -0.09 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 2e9j n GLY 90 N 3.54 -0.01 3.29 3.99 0.00 -1.26 -4.99 105.19 109.74 2e9j n GLY 90 Ca -0.19 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2e9j n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9j s ARG 91 N 0.00 3.20 -0.27 1.61 0.52 -1.26 -3.99 118.95 118.76 2e9j s ARG 91 Ca 0.00 -0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 2e9j s ARG 91 Cb 0.00 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 33.04 2e9j s ARG 91 CO 0.00 0.19 -0.00 0.71 0.02 0.00 0.00 175.30 176.21 2e9j s TYR 92 N 0.37 3.11 -0.23 -0.53 2.02 0.45 -1.55 117.35 120.98 2e9j s TYR 92 Ca -0.15 -1.35 -0.10 0.00 -0.37 0.00 0.00 57.07 55.10 2e9j s TYR 92 Cb -0.17 -2.14 -0.05 0.00 -0.40 0.00 0.00 41.96 39.21 2e9j s TYR 92 CO 0.07 -0.67 0.15 1.41 -1.57 0.00 0.00 175.55 174.93 2e9j s MET 93 N 1.39 4.09 -0.11 -0.62 1.75 -0.87 -2.35 119.30 122.57 2e9j s MET 93 Ca 0.01 -0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.22 2e9j s MET 93 Cb -0.17 -3.49 0.00 0.00 2.84 0.00 0.00 34.83 34.01 2e9j s MET 93 CO -0.02 0.13 -0.23 0.42 -0.65 0.00 0.00 175.02 174.67 2e9j s ILE 94 N 0.86 2.00 -0.50 10.11 1.01 -1.09 -1.69 121.20 131.90 2e9j s ILE 94 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.76 2e9j s ILE 94 Cb -0.13 -1.75 0.13 0.00 0.01 0.00 0.00 42.46 40.72 2e9j s ILE 94 CO 0.03 0.54 0.27 -0.83 0.00 0.00 0.00 174.94 174.95 2e9j s GLY 95 N 0.53 2.31 -0.01 6.18 0.00 -0.61 -1.21 107.32 114.52 2e9j s GLY 95 Ca -0.15 -3.03 -0.28 0.00 0.00 0.00 0.00 44.72 41.26 2e9j s GLY 95 CO 0.05 1.03 0.90 0.14 0.00 0.00 0.00 173.10 175.21 2e9j s VAL 96 N 0.20 4.88 0.04 1.40 1.01 -1.26 -3.75 120.40 122.93 2e9j s VAL 96 Ca 0.15 1.89 0.06 0.00 0.00 0.00 0.00 61.98 64.08 2e9j s VAL 96 Cb -0.22 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2e9j s VAL 96 CO -0.03 0.20 -0.18 0.42 0.00 0.00 0.00 175.10 175.51 2e9j s THR 97 N 0.83 1.48 -0.12 3.92 -4.23 -1.25 -2.72 115.64 113.55 2e9j s THR 97 Ca 0.47 -1.14 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 2e9j s THR 97 Cb -0.20 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.37 2e9j s THR 97 CO 0.25 0.13 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.94 2e9j s TYR 98 N -0.83 1.36 -1.25 3.99 5.04 0.52 -2.48 117.35 123.71 2e9j s TYR 98 Ca 0.05 -0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 53.95 2e9j s TYR 98 Cb -0.08 -1.16 0.00 0.00 0.35 0.00 0.00 41.96 41.07 2e9j s TYR 98 CO 0.02 -0.51 0.92 0.41 -1.34 0.00 0.00 175.55 175.05 2e9j n GLY 99 N 4.97 -0.35 3.18 8.97 0.00 -0.96 -2.25 105.19 118.75 2e9j n GLY 99 Ca -0.11 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.33 -0.50 3.30 -0.02 0.00 -1.26 -4.99 105.19 100.40 2e9j n GLY 100 Ca -0.27 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.93 -0.44 0.31 1.61 1.01 -0.96 -5.15 116.67 110.12 2e9j s ASP 101 Ca 0.40 1.03 -0.29 0.00 0.71 0.00 0.00 52.55 54.39 2e9j s ASP 101 Cb -0.17 1.56 -0.10 0.00 1.01 0.00 0.00 42.92 45.22 2e9j s ASP 101 CO 0.49 -0.24 1.26 1.51 0.21 0.00 0.00 175.17 178.40 2e9j s ASP 102 N 2.68 6.89 0.56 0.27 1.47 -1.26 -0.35 116.67 126.93 2e9j s ASP 102 Ca 0.00 2.57 -0.18 0.00 1.18 0.00 0.00 52.55 56.12 2e9j s ASP 102 Cb -0.13 -2.64 -0.05 0.00 -0.34 0.00 0.00 42.92 39.77 2e9j s ASP 102 CO -0.15 -0.45 1.09 0.27 0.68 0.00 0.00 175.17 176.62 2e9j s ILE 103 N -1.01 3.43 -2.00 2.11 -4.36 -1.10 -4.85 121.20 113.42 2e9j s ILE 103 Ca 0.49 0.80 0.10 0.00 -0.26 0.00 0.00 60.65 61.78 2e9j s ILE 103 Cb -0.38 -3.30 0.29 0.00 1.25 0.00 0.00 42.46 40.33 2e9j s ILE 103 CO 0.49 -0.28 1.05 -0.81 0.24 0.00 0.00 174.94 175.63 2e9j n PRO 104 N -1.60 0.49 -0.06 0.37 -0.04 -1.26 -2.17 135.00 130.73 2e9j n PRO 104 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2e9j n PRO 104 Cb 0.52 -1.33 -0.16 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.83 0.07 -4.90 1.53 4.77 -1.26 -4.97 117.00 111.40 2e9j n LEU 105 Ca 0.08 0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 2e9j n LEU 105 Cb 0.04 0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 2e9j n LEU 105 CO 0.06 0.31 0.53 -0.44 -1.33 0.00 0.00 177.39 176.52 2e9j s SER 106 N -5.20 6.04 1.24 -1.43 0.01 -0.92 -4.54 113.70 108.90 2e9j s SER 106 Ca -0.09 0.97 -0.20 0.00 1.31 0.00 0.00 55.95 57.95 2e9j s SER 106 Cb 0.09 -2.13 0.29 0.00 0.21 0.00 0.00 66.02 64.47 2e9j s SER 106 CO 0.85 -0.79 1.04 -0.81 0.41 0.00 0.00 173.24 173.94 2e9j n PRO 107 N -2.47 -3.05 -5.12 12.44 -0.04 -1.26 -4.91 135.00 130.58 2e9j n PRO 107 Ca 0.03 -1.66 -0.31 0.00 -0.04 0.00 0.00 63.50 61.52 2e9j n PRO 107 Cb 0.56 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 2e9j n PRO 107 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2e9j s TYR 108 N -2.88 2.37 -0.25 0.54 1.51 -0.35 -4.95 117.35 113.35 2e9j s TYR 108 Ca 0.67 -0.95 -0.13 0.00 -1.01 0.00 0.00 57.07 55.65 2e9j s TYR 108 Cb -0.07 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 2e9j s TYR 108 CO 0.52 -0.38 0.30 1.03 -1.11 0.00 0.00 175.55 175.90 2e9j s ARG 109 N 0.36 4.05 0.09 -0.62 0.52 -1.26 -2.66 118.95 119.43 2e9j s ARG 109 Ca -0.17 -0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 2e9j s ARG 109 Cb -0.17 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 2e9j s ARG 109 CO 0.08 -0.13 0.09 0.42 0.02 0.00 0.00 175.30 175.78 2e9j s ILE 110 N 1.61 0.16 -0.05 1.52 1.01 -0.99 -4.82 121.20 119.64 2e9j s ILE 110 Ca 0.13 -1.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.10 2e9j s ILE 110 Cb -0.15 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.76 2e9j s ILE 110 CO 0.08 -0.72 0.27 0.00 0.00 0.00 0.00 174.94 174.57 2e9j s ARG 111 N -3.93 0.49 0.02 2.79 1.04 -1.26 -0.41 118.95 117.69 2e9j s ARG 111 Ca 0.10 0.02 -0.17 0.00 -1.04 0.00 0.00 55.73 54.64 2e9j s ARG 111 Cb 0.06 0.22 -0.06 0.00 -2.04 0.00 0.00 34.95 33.14 2e9j s ARG 111 CO -0.07 -0.11 0.49 0.00 -0.04 0.00 0.00 175.30 175.57 2e9j s ALA 112 N -0.71 3.62 -0.61 7.88 0.00 -1.26 -1.42 121.76 129.27 2e9j s ALA 112 Ca -0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 2e9j s ALA 112 Cb -0.04 -2.53 0.16 0.00 0.00 0.00 0.00 23.12 20.71 2e9j s ALA 112 CO 0.02 0.39 0.48 0.95 0.00 0.00 0.00 175.76 177.61 2e9j s THR 113 N -0.90 4.41 0.00 0.00 -4.23 0.71 -4.65 115.64 110.98 2e9j s THR 113 Ca 0.26 -2.33 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 2e9j s THR 113 Cb -0.18 -3.84 -0.16 0.00 1.34 0.00 0.00 72.50 69.66 2e9j s THR 113 CO 0.16 -0.87 2.83 0.00 -0.54 0.00 0.00 174.62 176.20 2e9j n GLN 114 N 4.22 1.51 -3.65 3.99 10.64 -1.26 -3.88 117.38 128.96 2e9j n GLN 114 Ca 0.03 -0.60 -0.37 0.00 -1.83 0.00 0.00 57.00 54.23 2e9j n GLN 114 Cb 0.41 -1.64 -0.09 0.00 -0.86 0.00 0.00 30.24 28.06 2e9j n GLN 114 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2e9j s THR 115 N 0.83 5.35 -0.06 -0.39 -1.32 -1.26 -4.40 115.64 114.39 2e9j s THR 115 Ca 0.40 0.20 -0.00 0.00 -1.21 0.00 0.00 61.69 61.08 2e9j s THR 115 Cb 0.19 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.67 2e9j s THR 115 CO 0.00 0.34 0.05 0.61 -2.21 0.00 0.00 174.62 173.41 2e9j n GLY 116 N 4.29 0.67 3.89 6.08 0.00 -1.26 -5.05 105.19 113.82 2e9j n GLY 116 Ca -0.15 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 2e9j n GLY 116 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2e9j s ASP 117 N -3.04 5.73 0.25 1.61 -4.77 -1.26 -5.00 116.67 110.20 2e9j s ASP 117 Ca 0.02 1.03 -0.31 0.00 -3.30 0.00 0.00 52.55 49.99 2e9j s ASP 117 Cb -0.01 -2.00 -0.12 0.00 -1.09 0.00 0.00 42.92 39.71 2e9j s ASP 117 CO 0.04 -1.08 1.66 0.00 0.70 0.00 0.00 175.17 176.49 2e9j n ALA 118 N -2.74 2.72 0.00 2.11 0.00 -1.26 -5.24 120.51 116.09 2e9j n ALA 118 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2e9j n ALA 118 Cb 0.56 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2e9j n ALA 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93