#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 -0.20 0.06 1.61 0.01 -1.26 -5.19 113.70 108.72 2e9j s SER 2 Ca 0.00 -0.05 -0.28 0.00 1.31 0.00 0.00 55.95 56.93 2e9j s SER 2 Cb 0.00 0.25 0.09 0.00 0.21 0.00 0.00 66.02 66.57 2e9j s SER 2 CO 0.00 -0.42 1.02 -0.94 0.41 0.00 0.00 173.24 173.31 2e9j s SER 3 N -2.44 -0.20 0.00 2.44 1.04 -1.26 -5.13 113.70 108.16 2e9j s SER 3 Ca 0.09 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2e9j s SER 3 Cb -0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2e9j s SER 3 CO -0.05 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2e9j n GLY 4 N -0.39 -0.52 3.73 7.32 0.00 -1.26 -5.03 105.19 109.04 2e9j n GLY 4 Ca -0.07 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2e9j n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e9j n SER 5 N 0.00 -1.10 -4.83 1.61 7.64 -1.26 -4.98 113.62 110.70 2e9j n SER 5 Ca 0.00 -0.84 -0.24 0.00 1.01 0.00 0.00 58.87 58.80 2e9j n SER 5 Cb 0.00 -3.94 -0.05 0.00 -1.01 0.00 0.00 64.21 59.21 2e9j n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e9j s SER 6 N -4.35 5.65 0.00 6.43 0.15 -1.26 -5.01 113.70 115.31 2e9j s SER 6 Ca 0.01 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2e9j s SER 6 Cb -0.01 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2e9j s SER 6 CO 0.82 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.88 2e9j n GLY 7 N -0.79 1.17 3.43 9.45 0.00 -1.26 -5.15 105.19 112.04 2e9j n GLY 7 Ca -0.08 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.15 1.87 -0.24 1.61 0.52 -1.26 -5.17 118.95 113.12 2e9j s ARG 8 Ca 0.00 -2.12 -0.15 0.00 -0.52 0.00 0.00 55.73 52.94 2e9j s ARG 8 Cb 0.00 -0.27 0.07 0.00 0.52 0.00 0.00 34.95 35.27 2e9j s ARG 8 CO 0.00 -0.54 0.60 -1.54 0.02 0.00 0.00 175.30 173.83 2e9j s SER 9 N -3.52 -0.78 0.42 0.23 1.04 -1.26 -5.04 113.70 104.79 2e9j s SER 9 Ca 0.29 1.29 0.21 0.00 0.48 0.00 0.00 55.95 58.22 2e9j s SER 9 Cb 0.02 1.18 0.90 0.00 0.10 0.00 0.00 66.02 68.23 2e9j s SER 9 CO 0.19 -0.22 1.84 1.55 0.98 0.00 0.00 173.24 177.57 2e9j h PRO 10 N 6.81 0.00 -2.26 4.02 0.13 -2.08 -3.42 132.00 135.20 2e9j h PRO 10 Ca -0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 2e9j h PRO 10 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 2e9j h PRO 10 CO 0.20 0.29 -0.32 -0.06 -0.23 0.00 0.00 178.00 177.88 2e9j s PHE 11 N -3.83 -0.97 -0.28 1.56 0.40 -1.26 -5.15 117.98 108.45 2e9j s PHE 11 Ca -0.01 1.66 -0.17 0.00 -0.60 0.00 0.00 56.93 57.81 2e9j s PHE 11 Cb 0.12 0.41 0.10 0.00 0.51 0.00 0.00 43.02 44.16 2e9j s PHE 11 CO 0.66 -0.57 0.79 0.21 0.70 0.00 0.00 175.22 177.01 2e9j s LYS 12 N 2.69 0.61 0.69 0.44 2.20 -1.26 -5.18 119.74 119.93 2e9j s LYS 12 Ca -0.00 1.02 -0.03 0.00 -0.36 0.00 0.00 55.97 56.59 2e9j s LYS 12 Cb -0.12 0.14 0.09 0.00 -1.51 0.00 0.00 37.83 36.43 2e9j s LYS 12 CO -0.15 -0.12 0.97 0.14 -0.36 0.00 0.00 175.35 175.83 2e9j s VAL 13 N 1.41 2.30 -0.54 4.02 -7.23 -1.26 -5.02 120.40 114.09 2e9j s VAL 13 Ca -0.09 -0.46 0.02 0.00 -1.81 0.00 0.00 61.98 59.65 2e9j s VAL 13 Cb -0.05 -2.85 0.44 0.00 0.56 0.00 0.00 36.38 34.49 2e9j s VAL 13 CO -0.17 0.00 1.65 0.29 -0.31 0.00 0.00 175.10 176.56 2e9j n LYS 14 N -2.82 3.10 -1.98 4.82 4.01 -1.26 -5.02 118.16 119.01 2e9j n LYS 14 Ca 0.11 -3.75 -0.29 0.00 -0.51 0.00 0.00 58.31 53.87 2e9j n LYS 14 Cb 0.60 -2.28 0.15 0.00 -0.51 0.00 0.00 35.03 32.99 2e9j n LYS 14 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2e9j s VAL 15 N -4.85 2.02 0.17 -0.18 -7.23 -1.26 -5.05 120.40 104.02 2e9j s VAL 15 Ca 0.57 -0.05 -0.21 0.00 -1.81 0.00 0.00 61.98 60.48 2e9j s VAL 15 Cb 0.46 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.35 2e9j s VAL 15 CO -0.06 0.00 0.70 -1.48 -0.31 0.00 0.00 175.10 173.95 2e9j s LEU 16 N -5.73 4.46 0.61 1.32 0.05 -1.26 -5.06 118.68 113.07 2e9j s LEU 16 Ca 0.70 1.44 -0.17 0.00 0.05 0.00 0.00 54.13 56.15 2e9j s LEU 16 Cb -0.06 -3.34 -0.02 0.00 -2.05 0.00 0.00 46.19 40.72 2e9j s LEU 16 CO 0.51 0.14 1.12 -2.16 -0.55 0.00 0.00 176.35 175.41 2e9j s PRO 17 N -1.54 3.03 0.26 1.48 0.04 -1.26 -4.96 135.00 132.05 2e9j s PRO 17 Ca 0.38 1.49 0.09 0.00 0.04 0.00 0.00 61.00 62.99 2e9j s PRO 17 Cb -0.19 -1.97 0.31 0.00 0.04 0.00 0.00 34.50 32.69 2e9j s PRO 17 CO 0.22 -1.08 1.59 1.15 0.04 0.00 0.00 177.00 178.92 2e9j h THR 18 N 0.52 1.44 -3.59 1.26 2.02 -1.96 -3.45 112.91 109.17 2e9j h THR 18 Ca -0.48 -2.15 -0.46 0.00 0.77 0.00 0.00 66.41 64.10 2e9j h THR 18 Cb 1.25 2.15 0.10 0.00 -1.74 0.00 0.00 68.15 69.92 2e9j h THR 18 CO 0.55 0.62 0.27 -0.72 0.37 0.00 0.00 175.52 176.61 2e9j s TYR 19 N -3.60 2.31 -0.30 3.16 1.13 -1.26 -4.50 117.35 114.30 2e9j s TYR 19 Ca -0.02 0.29 -0.07 0.00 -1.41 0.00 0.00 57.07 55.86 2e9j s TYR 19 Cb 0.12 -3.43 0.18 0.00 -1.10 0.00 0.00 41.96 37.74 2e9j s TYR 19 CO 0.77 -1.83 0.88 -0.51 -2.51 0.00 0.00 175.55 172.35 2e9j s ASP 20 N -4.66 -0.84 0.21 -0.18 1.01 -0.50 -4.93 116.67 106.77 2e9j s ASP 20 Ca 0.65 0.37 -0.10 0.00 0.71 0.00 0.00 52.55 54.18 2e9j s ASP 20 Cb -0.08 1.64 0.28 0.00 1.01 0.00 0.00 42.92 45.77 2e9j s ASP 20 CO 0.47 -0.15 1.74 0.00 0.21 0.00 0.00 175.17 177.43 2e9j h ALA 21 N 7.86 0.76 -1.15 5.23 0.00 -1.85 -0.02 119.26 130.09 2e9j h ALA 21 Ca -0.13 0.09 0.33 0.00 0.00 0.00 0.00 54.91 55.20 2e9j h ALA 21 Cb 1.17 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2e9j h ALA 21 CO 0.02 -0.22 0.81 0.66 0.00 0.00 0.00 179.25 180.52 2e9j h SER 22 N 0.37 0.11 -0.49 0.00 4.64 -1.93 0.76 113.55 117.01 2e9j h SER 22 Ca 0.31 0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 61.39 2e9j h SER 22 Cb 0.39 0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 62.34 2e9j h SER 22 CO -0.32 0.01 0.33 0.29 -0.87 0.00 0.00 176.83 176.27 2e9j n LYS 23 N -4.30 1.62 -4.92 4.77 4.76 -0.02 -4.85 118.16 115.22 2e9j n LYS 23 Ca 0.26 -1.48 -0.33 0.00 -2.87 0.00 0.00 58.31 53.89 2e9j n LYS 23 Cb 1.16 -1.58 -0.15 0.00 -1.84 0.00 0.00 35.03 32.62 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 -1.65 2.73 0.06 -0.18 1.01 0.26 -3.39 120.40 119.25 2e9j s VAL 24 Ca 0.28 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 2e9j s VAL 24 Cb 0.23 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2e9j s VAL 24 CO 0.05 0.54 -0.04 0.42 0.00 0.00 0.00 175.10 176.07 2e9j s THR 25 N 0.32 0.33 0.02 3.92 -4.23 -1.25 -4.96 115.64 109.79 2e9j s THR 25 Ca -0.13 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2e9j s THR 25 Cb -0.16 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.25 2e9j s THR 25 CO 0.07 -0.90 -0.03 0.00 -0.54 0.00 0.00 174.62 173.22 2e9j s ALA 26 N -3.53 0.17 0.00 3.99 0.00 -1.26 -2.81 121.76 118.33 2e9j s ALA 26 Ca 0.05 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 2e9j s ALA 26 Cb 0.05 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2e9j s ALA 26 CO -0.08 -0.08 0.25 -1.12 0.00 0.00 0.00 175.76 174.73 2e9j s SER 27 N -1.00 -0.10 0.00 0.00 0.01 -0.06 -4.98 113.70 107.57 2e9j s SER 27 Ca -0.10 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2e9j s SER 27 Cb -0.07 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2e9j s SER 27 CO -0.00 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2e9j n GLY 28 N 1.18 0.74 0.23 3.44 0.00 -1.26 -0.54 105.19 108.97 2e9j n GLY 28 Ca -0.21 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 6.59 0.59 -0.31 1.61 0.13 -1.98 -2.81 132.00 135.83 2e9j h PRO 29 Ca 0.00 -0.31 0.09 0.00 -0.87 0.00 0.00 66.00 64.91 2e9j h PRO 29 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2e9j h PRO 29 CO 0.00 0.90 0.34 0.78 -0.23 0.00 0.00 178.00 179.80 2e9j h GLY 30 N 1.04 0.00 -0.34 1.56 0.00 -1.89 0.35 103.07 103.80 2e9j h GLY 30 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2e9j h GLY 30 CO 0.08 0.00 -0.17 1.04 0.00 0.00 0.00 176.54 177.50 2e9j n LEU 31 N -3.73 2.44 -4.70 3.11 4.77 -1.14 -4.96 117.00 112.80 2e9j n LEU 31 Ca 0.05 -3.33 -0.42 0.00 -0.03 0.00 0.00 56.01 52.27 2e9j n LEU 31 Cb 0.49 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2e9j n LEU 31 CO 0.27 0.93 1.30 -0.55 -1.33 0.00 0.00 177.39 178.01 2e9j s SER 32 N -2.98 6.61 0.21 -1.43 0.15 0.11 -4.89 113.70 111.48 2e9j s SER 32 Ca 0.34 2.50 0.05 0.00 0.70 0.00 0.00 55.95 59.55 2e9j s SER 32 Cb 0.31 -2.57 0.15 0.00 -1.71 0.00 0.00 66.02 62.19 2e9j s SER 32 CO -0.00 -0.87 1.48 0.77 1.20 0.00 0.00 173.24 175.83 2e9j h SER 33 N 7.97 0.18 -0.07 5.45 4.64 -1.90 -3.10 113.55 126.73 2e9j h SER 33 Ca -0.43 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2e9j h SER 33 Cb 1.20 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2e9j h SER 33 CO 0.92 0.85 0.04 0.22 -0.87 0.00 0.00 176.83 177.99 2e9j h TYR 34 N 0.09 0.11 0.00 4.77 5.03 -1.98 -3.47 116.97 121.52 2e9j h TYR 34 Ca -0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2e9j h TYR 34 Cb 1.30 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.54 2e9j h TYR 34 CO 0.02 0.09 0.00 0.41 -1.32 0.00 0.00 178.16 177.35 2e9j n GLY 35 N -1.47 4.29 3.23 1.82 0.00 -1.17 -5.06 105.19 106.83 2e9j n GLY 35 Ca -0.02 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.12 1.49 -0.00 1.61 -7.23 -1.11 -4.82 120.40 108.21 2e9j s VAL 36 Ca 0.00 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 2e9j s VAL 36 Cb 0.00 -1.35 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 2e9j s VAL 36 CO 0.00 -0.05 1.46 -2.16 -0.31 0.00 0.00 175.10 174.04 2e9j s PRO 37 N -1.65 4.26 0.27 4.82 0.04 -1.26 0.43 135.00 141.91 2e9j s PRO 37 Ca 0.04 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2e9j s PRO 37 Cb -0.10 -3.63 -0.09 0.00 0.04 0.00 0.00 34.50 30.72 2e9j s PRO 37 CO 0.03 -0.63 1.15 0.00 0.04 0.00 0.00 177.00 177.59 2e9j s ALA 38 N 2.66 3.43 -1.13 8.56 0.00 -0.91 -2.96 121.76 131.40 2e9j s ALA 38 Ca 0.66 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2e9j s ALA 38 Cb -0.32 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2e9j s ALA 38 CO 0.27 -0.28 0.00 0.45 0.00 0.00 0.00 175.76 176.20 2e9j n SER 39 N 1.34 -4.10 -4.22 0.00 2.88 -0.21 -4.92 113.62 104.39 2e9j n SER 39 Ca -0.00 0.12 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 2e9j n SER 39 Cb 0.44 -3.04 -0.16 0.00 -0.75 0.00 0.00 64.21 60.70 2e9j n SER 39 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2e9j s LEU 40 N -3.17 2.02 -0.68 2.46 2.01 -1.16 -4.97 118.68 115.19 2e9j s LEU 40 Ca 0.00 -0.44 -0.26 0.00 0.01 0.00 0.00 54.13 53.44 2e9j s LEU 40 Cb 0.00 -1.20 -0.03 0.00 0.01 0.00 0.00 46.19 44.97 2e9j s LEU 40 CO 0.00 0.23 1.88 -2.16 1.01 0.00 0.00 176.35 177.31 2e9j s PRO 41 N -0.20 2.61 0.04 1.29 0.04 -1.26 -4.36 135.00 133.16 2e9j s PRO 41 Ca -0.01 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.47 2e9j s PRO 41 Cb -0.12 -4.55 -0.04 0.00 0.04 0.00 0.00 34.50 29.83 2e9j s PRO 41 CO 0.02 -2.89 -0.06 0.54 0.04 0.00 0.00 177.00 174.65 2e9j s VAL 42 N 9.33 3.66 -0.02 -0.36 0.11 -1.13 -4.94 120.40 127.05 2e9j s VAL 42 Ca 0.68 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.77 2e9j s VAL 42 Cb -0.11 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 2e9j s VAL 42 CO 0.15 0.28 0.09 1.51 -3.33 0.00 0.00 175.10 173.81 2e9j s ASP 43 N -1.75 -0.04 0.50 3.54 1.47 -1.26 -0.45 116.67 118.68 2e9j s ASP 43 Ca 0.20 0.05 0.07 0.00 1.18 0.00 0.00 52.55 54.04 2e9j s ASP 43 Cb -0.11 0.19 0.02 0.00 -0.34 0.00 0.00 42.92 42.68 2e9j s ASP 43 CO 0.11 -0.13 0.43 0.72 0.68 0.00 0.00 175.17 176.98 2e9j s PHE 44 N -0.38 1.98 -0.03 2.11 -0.71 -0.96 -3.97 117.98 116.02 2e9j s PHE 44 Ca -0.05 -0.71 0.07 0.00 -1.04 0.00 0.00 56.93 55.20 2e9j s PHE 44 Cb -0.03 -2.03 -0.01 0.00 -1.21 0.00 0.00 43.02 39.74 2e9j s PHE 44 CO 0.00 -0.41 -0.23 0.00 -1.34 0.00 0.00 175.22 173.24 2e9j s ALA 45 N -2.66 1.95 -0.38 1.99 0.00 0.29 -2.96 121.76 120.00 2e9j s ALA 45 Ca 0.42 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2e9j s ALA 45 Cb -0.03 -0.54 0.09 0.00 0.00 0.00 0.00 23.12 22.64 2e9j s ALA 45 CO 0.25 0.44 0.15 0.42 0.00 0.00 0.00 175.76 177.02 2e9j s ILE 46 N -0.39 3.31 -0.32 0.00 1.01 0.73 -0.89 121.20 124.65 2e9j s ILE 46 Ca 0.04 -1.79 -0.12 0.00 0.00 0.00 0.00 60.65 58.79 2e9j s ILE 46 Cb -0.10 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2e9j s ILE 46 CO 0.01 -0.50 0.21 -1.81 0.00 0.00 0.00 174.94 172.84 2e9j s ASP 47 N 1.68 5.89 -0.20 3.58 1.11 -1.12 -1.69 116.67 125.91 2e9j s ASP 47 Ca 0.04 -0.41 -0.06 0.00 0.18 0.00 0.00 52.55 52.30 2e9j s ASP 47 Cb -0.22 -2.09 -0.03 0.00 1.07 0.00 0.00 42.92 41.65 2e9j s ASP 47 CO -0.03 -0.20 0.03 0.00 1.18 0.00 0.00 175.17 176.15 2e9j s ALA 48 N 1.69 3.15 -0.19 5.23 0.00 -1.23 -3.97 121.76 126.45 2e9j s ALA 48 Ca 0.06 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2e9j s ALA 48 Cb -0.17 -1.85 -0.08 0.00 0.00 0.00 0.00 23.12 21.01 2e9j s ALA 48 CO 0.09 -0.10 -0.20 0.54 0.00 0.00 0.00 175.76 176.09 2e9j n ARG 49 N 4.13 0.52 -0.11 0.00 1.74 -1.26 -4.68 116.66 117.00 2e9j n ARG 49 Ca -0.17 0.38 0.08 0.00 -0.77 0.00 0.00 57.85 57.38 2e9j n ARG 49 Cb 0.52 -1.58 0.12 0.00 -1.02 0.00 0.00 32.46 30.50 2e9j n ARG 49 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2e9j n ASP 50 N -4.47 2.08 0.17 0.55 -0.08 -1.26 -4.65 116.55 108.89 2e9j n ASP 50 Ca -0.22 -2.90 0.12 0.00 -1.51 0.00 0.00 54.79 50.28 2e9j n ASP 50 Cb 0.53 -0.38 0.20 0.00 2.34 0.00 0.00 41.12 43.82 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e9j h ALA 51 N 0.00 0.91 -0.76 -1.67 0.00 -1.75 -3.39 119.26 112.60 2e9j h ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2e9j h ALA 51 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2e9j h ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2e9j n GLY 52 N 1.17 2.45 3.31 0.00 0.00 -1.26 -1.42 105.19 109.44 2e9j n GLY 52 Ca 0.04 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 2.94 -0.27 1.61 2.56 -1.26 -4.97 118.70 119.32 2e9j s GLU 53 Ca 0.00 -0.81 -0.24 0.00 0.00 0.00 0.00 54.97 53.92 2e9j s GLU 53 Cb 0.00 -2.37 0.07 0.00 2.00 0.00 0.00 34.13 33.84 2e9j s GLU 53 CO 0.00 0.30 0.73 0.20 -0.56 0.00 0.00 175.26 175.93 2e9j s GLY 54 N 0.08 -0.53 -0.47 -1.50 0.00 -1.26 -4.52 107.32 99.11 2e9j s GLY 54 Ca -0.09 2.12 -0.37 0.00 0.00 0.00 0.00 44.72 46.38 2e9j s GLY 54 CO 0.06 1.84 2.24 -0.10 0.00 0.00 0.00 173.10 177.14 2e9j n LEU 55 N 2.89 1.55 -4.82 0.66 7.94 -1.26 -4.09 117.00 119.86 2e9j n LEU 55 Ca -0.15 0.41 -0.36 0.00 -1.11 0.00 0.00 56.01 54.81 2e9j n LEU 55 Cb 0.56 -1.14 -0.06 0.00 0.53 0.00 0.00 43.42 43.31 2e9j n LEU 55 CO 0.02 -0.79 0.36 -0.22 -1.11 0.00 0.00 177.39 175.65 2e9j s LEU 56 N 7.38 4.35 -0.15 -1.96 2.96 -1.26 -0.62 118.68 129.38 2e9j s LEU 56 Ca 1.15 1.31 -0.14 0.00 -0.22 0.00 0.00 54.13 56.22 2e9j s LEU 56 Cb -1.05 -3.46 0.04 0.00 0.50 0.00 0.00 46.19 42.22 2e9j s LEU 56 CO 0.53 0.07 0.41 0.00 -1.32 0.00 0.00 176.35 176.03 2e9j s ALA 57 N -1.48 -1.02 -0.01 5.97 0.00 -0.89 -5.01 121.76 119.31 2e9j s ALA 57 Ca 0.41 1.14 0.07 0.00 0.00 0.00 0.00 51.96 53.58 2e9j s ALA 57 Cb -0.16 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 2e9j s ALA 57 CO 0.20 -0.20 -0.21 0.54 0.00 0.00 0.00 175.76 176.09 2e9j s VAL 58 N 0.17 1.69 -0.26 0.00 0.11 -1.26 -2.14 120.40 118.72 2e9j s VAL 58 Ca -0.00 -0.94 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 2e9j s VAL 58 Cb -0.03 -1.41 0.08 0.00 -1.53 0.00 0.00 36.38 33.49 2e9j s VAL 58 CO 0.01 0.46 0.07 -1.58 -3.33 0.00 0.00 175.10 170.72 2e9j s GLN 59 N -0.56 0.64 -0.24 1.54 0.74 -1.22 -4.98 119.66 115.58 2e9j s GLN 59 Ca 0.08 -0.73 -0.11 0.00 0.05 0.00 0.00 55.36 54.65 2e9j s GLN 59 Cb -0.08 -1.94 -0.05 0.00 1.10 0.00 0.00 33.01 32.04 2e9j s GLN 59 CO -0.01 -0.84 0.19 0.42 -0.55 0.00 0.00 175.29 174.51 2e9j s ILE 60 N 1.78 5.34 0.29 -2.34 1.01 -1.26 -1.88 121.20 124.13 2e9j s ILE 60 Ca 0.05 0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.03 2e9j s ILE 60 Cb -0.17 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 2e9j s ILE 60 CO -0.19 0.33 -0.08 0.42 0.00 0.00 0.00 174.94 175.41 2e9j s THR 61 N 1.11 1.84 0.50 2.92 -4.23 -1.10 -1.96 115.64 114.72 2e9j s THR 61 Ca 0.09 -2.17 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 2e9j s THR 61 Cb -0.14 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.28 2e9j s THR 61 CO 0.05 -0.31 0.40 1.51 -0.54 0.00 0.00 174.62 175.73 2e9j s ASP 62 N -3.47 4.75 0.48 3.99 -4.77 -1.21 -2.74 116.67 113.70 2e9j s ASP 62 Ca 0.30 -1.07 0.31 0.00 -3.30 0.00 0.00 52.55 48.79 2e9j s ASP 62 Cb 0.02 0.06 1.41 0.00 -1.09 0.00 0.00 42.92 43.33 2e9j s ASP 62 CO 0.13 -0.95 1.73 0.06 0.70 0.00 0.00 175.17 176.84 2e9j h GLN 63 N 0.85 0.13 0.00 2.11 3.07 -1.77 1.13 115.11 120.63 2e9j h GLN 63 Ca -0.38 -0.01 -0.13 0.00 0.09 0.00 0.00 58.65 58.22 2e9j h GLN 63 Cb 1.29 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.79 2e9j h GLN 63 CO 0.57 0.09 -1.08 1.49 0.09 0.00 0.00 178.83 179.99 2e9j h GLU 64 N 0.14 0.00 -0.22 0.06 4.81 -1.94 -3.49 114.58 113.94 2e9j h GLU 64 Ca 0.67 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.90 2e9j h GLU 64 Cb 2.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.66 2e9j h GLU 64 CO -0.19 0.34 0.00 0.41 -0.73 0.00 0.00 179.01 178.84 2e9j n GLY 65 N 1.32 0.75 3.93 1.92 0.00 0.39 -5.11 105.19 108.40 2e9j n GLY 65 Ca -0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 3.44 0.15 1.61 -0.14 -1.26 -4.76 119.74 118.50 2e9j s LYS 66 Ca 0.00 -0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 53.81 2e9j s LYS 66 Cb 0.00 -3.01 -0.08 0.00 -1.68 0.00 0.00 37.83 33.06 2e9j s LYS 66 CO 0.00 0.57 1.34 -1.25 -0.76 0.00 0.00 175.35 175.25 2e9j s PRO 67 N -2.79 4.36 0.12 -1.68 0.04 -1.26 -3.31 135.00 130.47 2e9j s PRO 67 Ca 0.35 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.51 2e9j s PRO 67 Cb -0.12 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2e9j s PRO 67 CO 0.28 -0.34 -0.13 0.15 0.04 0.00 0.00 177.00 177.00 2e9j s LYS 68 N 0.55 1.99 0.02 4.56 -0.14 -0.83 -5.02 119.74 120.88 2e9j s LYS 68 Ca 0.60 -1.10 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 2e9j s LYS 68 Cb -0.36 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.52 2e9j s LYS 68 CO 0.34 0.49 1.25 0.50 -0.76 0.00 0.00 175.35 177.17 2e9j s ARG 69 N -2.24 4.37 -0.09 1.68 3.52 -1.26 -4.66 118.95 120.27 2e9j s ARG 69 Ca 0.20 1.80 -0.01 0.00 -0.13 0.00 0.00 55.73 57.59 2e9j s ARG 69 Cb -0.11 -3.45 0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2e9j s ARG 69 CO 0.13 -0.39 -0.04 0.00 -0.81 0.00 0.00 175.30 174.19 2e9j s ALA 70 N 1.67 1.02 0.18 6.12 0.00 -1.26 -4.31 121.76 125.18 2e9j s ALA 70 Ca 0.59 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 2e9j s ALA 70 Cb -0.29 -0.79 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 2e9j s ALA 70 CO 0.27 -0.38 0.56 0.42 0.00 0.00 0.00 175.76 176.63 2e9j s ILE 71 N 1.71 4.87 -0.20 0.00 1.01 -0.59 -4.98 121.20 123.01 2e9j s ILE 71 Ca 0.03 0.72 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 2e9j s ILE 71 Cb -0.13 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2e9j s ILE 71 CO -0.06 0.11 -0.04 0.54 0.00 0.00 0.00 174.94 175.49 2e9j s VAL 72 N -1.61 3.50 -0.19 2.92 0.11 -1.26 -2.83 120.40 121.03 2e9j s VAL 72 Ca 0.42 -0.46 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 2e9j s VAL 72 Cb -0.13 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 2e9j s VAL 72 CO 0.20 0.44 -0.06 -1.00 -3.33 0.00 0.00 175.10 171.35 2e9j s HIS 73 N 1.18 2.94 -0.24 1.54 3.76 -0.30 -5.03 115.29 119.15 2e9j s HIS 73 Ca 0.02 -0.76 -0.09 0.00 -0.15 0.00 0.00 55.06 54.08 2e9j s HIS 73 Cb -0.14 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 2e9j s HIS 73 CO -0.01 -0.39 0.13 0.34 -0.85 0.00 0.00 174.74 173.96 2e9j s ASP 74 N 1.07 5.79 -0.07 1.40 2.15 -1.26 -2.38 116.67 123.36 2e9j s ASP 74 Ca 0.01 0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.13 2e9j s ASP 74 Cb -0.15 -2.04 -0.20 0.00 -0.30 0.00 0.00 42.92 40.23 2e9j s ASP 74 CO -0.00 0.04 0.20 0.59 -0.17 0.00 0.00 175.17 175.82 2e9j n ASN 75 N 4.47 1.64 -2.55 -0.34 3.02 -1.26 -5.00 115.26 115.25 2e9j n ASN 75 Ca -0.15 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.22 2e9j n ASN 75 Cb 0.52 1.30 -0.00 0.00 -0.61 0.00 0.00 39.78 40.99 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 -2.23 -2.37 -0.53 3.52 4.01 -1.26 -4.84 118.16 114.46 2e9j n LYS 76 Ca -0.11 0.79 0.07 0.00 -0.51 0.00 0.00 58.31 58.54 2e9j n LYS 76 Cb 0.63 -5.46 0.16 0.00 -0.51 0.00 0.00 35.03 29.86 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 -2.00 1.74 0.00 4.39 2.03 -1.26 -4.93 116.55 116.52 2e9j n ASP 77 Ca -0.18 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 51.73 2e9j n ASP 77 Cb 0.64 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 2e9j n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e9j n GLY 78 N -1.00 0.59 3.34 0.27 0.00 -1.26 -5.04 105.19 102.09 2e9j n GLY 78 Ca 0.16 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.06 2.61 -4.23 -1.26 -3.54 115.64 107.16 2e9j s THR 79 Ca 0.00 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2e9j s THR 79 Cb 0.00 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.47 2e9j s THR 79 CO 0.00 0.00 0.15 -0.31 -0.54 0.00 0.00 174.62 173.92 2e9j s TYR 80 N -4.08 -0.16 0.08 3.99 2.02 -0.68 -4.21 117.35 114.31 2e9j s TYR 80 Ca 0.33 0.46 0.04 0.00 -0.37 0.00 0.00 57.07 57.53 2e9j s TYR 80 Cb 0.04 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.52 2e9j s TYR 80 CO 0.11 -0.14 0.01 0.00 -1.57 0.00 0.00 175.55 173.96 2e9j s ALA 81 N 0.85 3.33 -0.11 3.71 0.00 -1.00 -0.20 121.76 128.34 2e9j s ALA 81 Ca -0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 2e9j s ALA 81 Cb -0.08 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.86 2e9j s ALA 81 CO -0.04 0.71 0.22 0.08 0.00 0.00 0.00 175.76 176.72 2e9j s VAL 82 N -1.31 -0.32 -0.08 0.00 1.01 -1.15 -1.15 120.40 117.40 2e9j s VAL 82 Ca 0.26 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 2e9j s VAL 82 Cb -0.12 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2e9j s VAL 82 CO 0.18 0.13 0.12 -0.89 0.00 0.00 0.00 175.10 174.64 2e9j s THR 83 N 2.27 5.19 -0.12 3.92 2.01 -1.13 -2.25 115.64 125.52 2e9j s THR 83 Ca 0.01 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2e9j s THR 83 Cb -0.12 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.14 2e9j s THR 83 CO -0.07 0.52 0.29 -0.72 -0.69 0.00 0.00 174.62 173.95 2e9j s TYR 84 N -1.09 -0.41 -0.58 4.92 -0.85 0.40 -1.55 117.35 118.19 2e9j s TYR 84 Ca 0.18 0.94 -0.10 0.00 -0.52 0.00 0.00 57.07 57.57 2e9j s TYR 84 Cb -0.12 0.11 0.15 0.00 0.38 0.00 0.00 41.96 42.47 2e9j s TYR 84 CO 0.08 -0.27 0.47 0.42 -1.52 0.00 0.00 175.55 174.73 2e9j s ILE 85 N 1.36 4.52 -0.69 -3.49 1.01 -1.26 -2.84 121.20 119.81 2e9j s ILE 85 Ca -0.09 -2.11 -0.26 0.00 0.00 0.00 0.00 60.65 58.19 2e9j s ILE 85 Cb -0.10 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2e9j s ILE 85 CO -0.10 -0.86 1.89 -2.16 0.00 0.00 0.00 174.94 173.71 2e9j s PRO 86 N 0.88 2.60 -0.05 2.79 0.04 -1.26 -4.85 135.00 135.15 2e9j s PRO 86 Ca 0.10 0.37 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 2e9j s PRO 86 Cb -0.22 -4.57 -0.05 0.00 0.04 0.00 0.00 34.50 29.70 2e9j s PRO 86 CO -0.02 -2.91 0.41 -0.44 0.04 0.00 0.00 177.00 174.07 2e9j h ASP 87 N 14.01 -0.28 -2.45 6.66 3.32 -1.95 -0.53 116.42 135.21 2e9j h ASP 87 Ca -0.16 0.01 -0.62 0.00 0.02 0.00 0.00 57.03 56.28 2e9j h ASP 87 Cb 1.12 0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 2e9j h ASP 87 CO 1.22 0.12 0.75 -0.75 -1.72 0.00 0.00 179.24 178.86 2e9j s LYS 88 N -2.60 3.23 1.05 3.56 2.20 -1.26 -4.57 119.74 121.35 2e9j s LYS 88 Ca -0.05 -0.87 -0.18 0.00 -0.36 0.00 0.00 55.97 54.51 2e9j s LYS 88 Cb 0.00 -4.40 0.08 0.00 -1.51 0.00 0.00 37.83 32.00 2e9j s LYS 88 CO 0.14 -1.90 -0.16 -2.37 -0.36 0.00 0.00 175.35 170.70 2e9j n THR 89 N 6.02 0.00 0.00 3.43 5.66 -1.26 -4.92 114.28 123.21 2e9j n THR 89 Ca 0.04 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2e9j n THR 89 Cb 0.47 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 2e9j n THR 89 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2e9j n GLY 90 N 2.43 0.92 3.60 1.09 0.00 -1.26 -4.83 105.19 107.14 2e9j n GLY 90 Ca 0.02 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 2e9j n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e9j s ARG 91 N -0.99 3.20 -0.21 1.61 3.52 -1.26 -4.07 118.95 120.75 2e9j s ARG 91 Ca 0.00 1.97 -0.10 0.00 -0.13 0.00 0.00 55.73 57.48 2e9j s ARG 91 Cb 0.00 -4.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.00 2e9j s ARG 91 CO 0.00 -2.02 0.12 0.71 -0.81 0.00 0.00 175.30 173.30 2e9j s TYR 92 N 7.94 3.34 -0.30 5.12 2.02 -0.94 -2.27 117.35 132.26 2e9j s TYR 92 Ca 0.97 0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 57.88 2e9j s TYR 92 Cb -0.32 -2.18 0.06 0.00 -0.40 0.00 0.00 41.96 39.12 2e9j s TYR 92 CO 0.35 0.17 -0.00 1.41 -1.57 0.00 0.00 175.55 175.91 2e9j s MET 93 N 0.62 2.31 -0.18 -0.62 1.75 -1.11 -2.50 119.30 119.57 2e9j s MET 93 Ca 0.07 -1.35 -0.12 0.00 -1.25 0.00 0.00 55.69 53.03 2e9j s MET 93 Cb -0.12 -3.16 -0.05 0.00 2.84 0.00 0.00 34.83 34.35 2e9j s MET 93 CO 0.01 -0.66 0.23 0.42 -0.65 0.00 0.00 175.02 174.36 2e9j s ILE 94 N 1.20 5.34 -0.56 10.11 1.01 -1.02 -2.72 121.20 134.56 2e9j s ILE 94 Ca -0.04 0.40 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 2e9j s ILE 94 Cb -0.20 -3.57 0.14 0.00 0.01 0.00 0.00 42.46 38.85 2e9j s ILE 94 CO -0.02 0.40 0.34 -0.83 0.00 0.00 0.00 174.94 174.82 2e9j s GLY 95 N 0.50 2.41 0.35 6.18 0.00 -0.79 -1.01 107.32 114.96 2e9j s GLY 95 Ca 0.13 -3.17 -0.25 0.00 0.00 0.00 0.00 44.72 41.43 2e9j s GLY 95 CO 0.02 1.06 0.96 0.14 0.00 0.00 0.00 173.10 175.28 2e9j s VAL 96 N 0.01 4.15 -0.02 1.40 1.01 -1.26 -3.38 120.40 122.31 2e9j s VAL 96 Ca 0.16 1.70 -0.08 0.00 0.00 0.00 0.00 61.98 63.76 2e9j s VAL 96 Cb -0.22 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2e9j s VAL 96 CO -0.03 0.07 0.18 0.42 0.00 0.00 0.00 175.10 175.74 2e9j s THR 97 N -1.69 0.06 -0.11 3.92 -4.23 -0.91 -3.24 115.64 109.44 2e9j s THR 97 Ca 0.53 -0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2e9j s THR 97 Cb -0.18 -0.41 0.03 0.00 1.34 0.00 0.00 72.50 73.28 2e9j s THR 97 CO 0.23 -0.26 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.57 2e9j s TYR 98 N -0.95 1.01 -1.11 3.99 5.04 0.47 -2.11 117.35 123.69 2e9j s TYR 98 Ca -0.10 -0.50 -0.04 0.00 -2.44 0.00 0.00 57.07 53.99 2e9j s TYR 98 Cb -0.06 -0.98 0.00 0.00 0.35 0.00 0.00 41.96 41.27 2e9j s TYR 98 CO 0.02 -0.45 0.95 0.41 -1.34 0.00 0.00 175.55 175.14 2e9j n GLY 99 N 5.06 -0.31 2.73 8.97 0.00 0.21 -2.58 105.19 119.27 2e9j n GLY 99 Ca -0.09 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.45 -0.32 3.13 -0.02 0.00 -1.26 -4.89 105.19 100.38 2e9j n GLY 100 Ca -0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.69 0.06 0.31 1.61 1.01 -1.07 -5.15 116.67 110.75 2e9j s ASP 101 Ca 0.22 0.78 -0.28 0.00 0.71 0.00 0.00 52.55 53.98 2e9j s ASP 101 Cb -0.10 1.03 -0.09 0.00 1.01 0.00 0.00 42.92 44.77 2e9j s ASP 101 CO 0.27 -0.24 1.08 1.51 0.21 0.00 0.00 175.17 178.00 2e9j s ASP 102 N 2.52 7.16 0.54 0.27 1.47 -1.26 -0.39 116.67 126.97 2e9j s ASP 102 Ca -0.00 2.20 -0.17 0.00 1.18 0.00 0.00 52.55 55.76 2e9j s ASP 102 Cb -0.12 -2.62 -0.06 0.00 -0.34 0.00 0.00 42.92 39.78 2e9j s ASP 102 CO -0.11 -0.22 1.03 0.27 0.68 0.00 0.00 175.17 176.82 2e9j s ILE 103 N -1.28 4.04 -2.00 2.11 -4.36 -1.20 -4.89 121.20 113.61 2e9j s ILE 103 Ca 0.48 1.04 0.14 0.00 -0.26 0.00 0.00 60.65 62.04 2e9j s ILE 103 Cb -0.29 -3.50 0.39 0.00 1.25 0.00 0.00 42.46 40.31 2e9j s ILE 103 CO 0.37 -0.50 1.24 -0.81 0.24 0.00 0.00 174.94 175.48 2e9j n PRO 104 N -1.64 0.49 -0.05 0.37 -0.04 -1.26 -2.43 135.00 130.44 2e9j n PRO 104 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2e9j n PRO 104 Cb 0.53 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.94 1.41 -4.88 1.53 4.77 -1.26 -4.95 117.00 112.69 2e9j n LEU 105 Ca 0.10 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.98 2e9j n LEU 105 Cb 0.05 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2e9j n LEU 105 CO 0.08 0.60 0.67 -0.44 -1.33 0.00 0.00 177.39 176.97 2e9j s SER 106 N -6.26 6.10 1.25 -1.43 0.01 -1.02 -4.54 113.70 107.81 2e9j s SER 106 Ca -0.14 1.27 -0.21 0.00 1.31 0.00 0.00 55.95 58.18 2e9j s SER 106 Cb 0.07 -2.33 0.31 0.00 0.21 0.00 0.00 66.02 64.28 2e9j s SER 106 CO 0.78 -0.89 1.11 -2.16 0.41 0.00 0.00 173.24 172.49 2e9j s PRO 107 N -5.13 -1.65 -0.08 12.44 0.04 -1.26 -4.91 135.00 134.46 2e9j s PRO 107 Ca 0.54 -0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.41 2e9j s PRO 107 Cb -0.11 -1.56 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 2e9j s PRO 107 CO 0.52 -3.96 -0.23 0.71 0.04 0.00 0.00 177.00 174.07 2e9j s TYR 108 N -3.02 2.39 -0.27 0.56 1.51 -0.18 -4.91 117.35 113.43 2e9j s TYR 108 Ca 0.72 -0.84 -0.10 0.00 -1.01 0.00 0.00 57.07 55.84 2e9j s TYR 108 Cb -0.07 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 2e9j s TYR 108 CO 0.56 -0.31 0.17 1.03 -1.11 0.00 0.00 175.55 175.89 2e9j s ARG 109 N 0.12 3.93 0.06 -0.62 0.52 -1.26 -2.45 118.95 119.25 2e9j s ARG 109 Ca -0.11 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2e9j s ARG 109 Cb -0.16 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.68 2e9j s ARG 109 CO 0.06 -0.15 -0.06 0.42 0.02 0.00 0.00 175.30 175.59 2e9j s ILE 110 N 1.64 0.49 -0.14 1.52 1.01 -1.04 -4.95 121.20 119.73 2e9j s ILE 110 Ca 0.07 -1.42 0.01 0.00 0.00 0.00 0.00 60.65 59.30 2e9j s ILE 110 Cb -0.16 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.31 2e9j s ILE 110 CO 0.09 -0.64 -0.15 -0.13 0.00 0.00 0.00 174.94 174.11 2e9j s ARG 111 N -2.58 2.39 -0.51 2.79 3.00 -1.26 -2.20 118.95 120.56 2e9j s ARG 111 Ca -0.02 -0.60 -0.27 0.00 0.00 0.00 0.00 55.73 54.84 2e9j s ARG 111 Cb -0.03 -2.11 0.03 0.00 0.00 0.00 0.00 34.95 32.84 2e9j s ARG 111 CO -0.03 -0.17 1.04 0.00 0.00 0.00 0.00 175.30 176.14 2e9j s ALA 112 N 1.29 3.14 -0.61 2.13 0.00 -1.26 -2.77 121.76 123.69 2e9j s ALA 112 Ca 0.01 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 2e9j s ALA 112 Cb -0.14 -3.82 -0.00 0.00 0.00 0.00 0.00 23.12 19.16 2e9j s ALA 112 CO -0.08 -2.32 1.65 0.95 0.00 0.00 0.00 175.76 175.96 2e9j s THR 113 N 4.25 3.52 0.33 0.00 -4.23 0.17 -4.51 115.64 115.18 2e9j s THR 113 Ca 0.40 0.35 0.08 0.00 -1.18 0.00 0.00 61.69 61.33 2e9j s THR 113 Cb -0.09 -4.22 -0.03 0.00 1.34 0.00 0.00 72.50 69.50 2e9j s THR 113 CO 0.26 -1.13 0.24 0.00 -0.54 0.00 0.00 174.62 173.46 2e9j s GLN 114 N 6.40 2.63 -0.03 3.99 1.03 -1.26 -2.15 119.66 130.27 2e9j s GLN 114 Ca 0.58 -1.36 -0.01 0.00 0.04 0.00 0.00 55.36 54.62 2e9j s GLN 114 Cb -0.12 -2.39 0.03 0.00 0.03 0.00 0.00 33.01 30.56 2e9j s GLN 114 CO 0.21 0.12 0.05 0.95 -2.54 0.00 0.00 175.29 174.08 2e9j s THR 115 N -2.33 -0.05 0.00 3.63 -4.23 -1.26 -5.03 115.64 106.37 2e9j s THR 115 Ca 0.39 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2e9j s THR 115 Cb -0.05 -0.10 0.00 0.00 1.34 0.00 0.00 72.50 73.69 2e9j s THR 115 CO 0.25 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2e9j n GLY 116 N 4.00 1.67 3.77 3.99 0.00 -1.26 -4.92 105.19 112.44 2e9j n GLY 116 Ca -0.25 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 2e9j n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2e9j n ASP 117 N 8.50 -2.09 -4.77 1.61 9.92 -1.26 -4.92 116.55 123.54 2e9j n ASP 117 Ca 0.00 -0.82 -0.39 0.00 -0.53 0.00 0.00 54.79 53.05 2e9j n ASP 117 Cb 0.00 -3.95 -0.02 0.00 -0.64 0.00 0.00 41.12 36.50 2e9j n ASP 117 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9j s ALA 118 N -3.59 3.31 0.00 2.24 0.00 -1.26 -5.25 121.76 117.21 2e9j s ALA 118 Ca 0.18 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2e9j s ALA 118 Cb -0.09 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2e9j s ALA 118 CO 0.82 -0.48 0.38 0.43 0.00 0.00 0.00 175.76 176.91