#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 -0.25 0.28 1.61 1.04 -1.26 -5.17 113.70 109.95 2e9j s SER 2 Ca 0.00 0.44 -0.03 0.00 0.48 0.00 0.00 55.95 56.84 2e9j s SER 2 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2e9j s SER 2 CO 0.00 -0.12 0.52 -0.94 0.98 0.00 0.00 173.24 173.68 2e9j s SER 3 N -0.19 6.40 0.00 7.02 1.04 -1.26 -5.09 113.70 121.63 2e9j s SER 3 Ca 0.05 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2e9j s SER 3 Cb -0.04 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2e9j s SER 3 CO -0.08 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2e9j n GLY 4 N -1.05 0.86 2.81 7.32 0.00 -1.26 -5.15 105.19 108.72 2e9j n GLY 4 Ca -0.03 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 2e9j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9j s SER 5 N 0.00 1.10 0.23 1.61 1.04 -1.26 -5.15 113.70 111.26 2e9j s SER 5 Ca 0.00 0.04 0.08 0.00 0.48 0.00 0.00 55.95 56.55 2e9j s SER 5 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2e9j s SER 5 CO 0.00 -0.29 0.06 -0.94 0.98 0.00 0.00 173.24 173.05 2e9j s SER 6 N 2.32 4.94 0.00 7.02 1.04 -1.26 -5.12 113.70 122.64 2e9j s SER 6 Ca 0.05 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2e9j s SER 6 Cb -0.14 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2e9j s SER 6 CO -0.10 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2e9j n GLY 7 N -0.73 2.22 0.10 7.32 0.00 -1.26 -5.06 105.19 107.78 2e9j n GLY 7 Ca -0.08 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.77 -3.42 1.61 5.12 -1.26 -5.04 116.66 114.44 2e9j n ARG 8 Ca 0.00 0.08 -0.18 0.00 -1.93 0.00 0.00 57.85 55.82 2e9j n ARG 8 Cb 0.00 -1.43 0.07 0.00 -1.16 0.00 0.00 32.46 29.94 2e9j n ARG 8 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2e9j n SER 9 N -2.97 -3.95 -4.63 0.55 7.64 -1.26 -4.90 113.62 104.10 2e9j n SER 9 Ca -0.35 -0.72 -0.43 0.00 1.01 0.00 0.00 58.87 58.39 2e9j n SER 9 Cb 0.95 -4.85 -0.03 0.00 -1.01 0.00 0.00 64.21 59.28 2e9j n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2e9j s PRO 10 N -5.14 3.82 -0.73 1.43 0.04 -1.26 -4.96 135.00 128.20 2e9j s PRO 10 Ca 0.22 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 2e9j s PRO 10 Cb -0.04 -4.03 0.18 0.00 0.04 0.00 0.00 34.50 30.66 2e9j s PRO 10 CO 0.76 -1.27 0.56 -0.59 0.04 0.00 0.00 177.00 176.50 2e9j s PHE 11 N 5.12 3.58 0.28 0.56 -0.71 -1.26 -5.04 117.98 120.51 2e9j s PHE 11 Ca 0.71 -2.92 -0.03 0.00 -1.04 0.00 0.00 56.93 53.65 2e9j s PHE 11 Cb -0.25 -3.15 -0.02 0.00 -1.21 0.00 0.00 43.02 38.40 2e9j s PHE 11 CO 0.29 -0.77 0.35 0.15 -1.34 0.00 0.00 175.22 173.90 2e9j s LYS 12 N -0.69 1.61 0.61 1.99 1.02 -1.26 -5.17 119.74 117.85 2e9j s LYS 12 Ca 0.22 -1.64 -0.11 0.00 0.02 0.00 0.00 55.97 54.46 2e9j s LYS 12 Cb -0.14 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.51 2e9j s LYS 12 CO -0.08 -0.63 1.01 0.14 -0.92 0.00 0.00 175.35 174.88 2e9j s VAL 13 N -3.65 4.72 -0.04 3.17 -7.23 -1.26 -5.09 120.40 111.03 2e9j s VAL 13 Ca 0.32 0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 61.22 2e9j s VAL 13 Cb 0.02 -3.87 0.02 0.00 0.56 0.00 0.00 36.38 33.11 2e9j s VAL 13 CO 0.16 -1.13 0.24 -0.75 -0.31 0.00 0.00 175.10 173.31 2e9j s LYS 14 N -5.15 0.49 0.35 4.82 2.47 -1.26 -5.18 119.74 116.28 2e9j s LYS 14 Ca 0.54 -0.08 0.04 0.00 -1.56 0.00 0.00 55.97 54.92 2e9j s LYS 14 Cb -0.11 0.22 -0.07 0.00 -1.46 0.00 0.00 37.83 36.41 2e9j s LYS 14 CO 0.53 -0.11 0.05 0.14 0.16 0.00 0.00 175.35 176.12 2e9j s VAL 15 N -0.87 1.36 0.39 4.02 -7.23 -1.26 -5.12 120.40 111.69 2e9j s VAL 15 Ca -0.10 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.81 2e9j s VAL 15 Cb -0.05 -2.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.97 2e9j s VAL 15 CO 0.02 0.00 1.29 -1.48 -0.31 0.00 0.00 175.10 174.62 2e9j s LEU 16 N -3.54 4.26 0.61 1.32 2.34 -1.26 -4.99 118.68 117.41 2e9j s LEU 16 Ca 0.36 2.63 -0.17 0.00 0.06 0.00 0.00 54.13 57.01 2e9j s LEU 16 Cb 0.09 -3.86 -0.02 0.00 -0.56 0.00 0.00 46.19 41.84 2e9j s LEU 16 CO 0.16 -0.77 1.12 -2.16 -1.06 0.00 0.00 176.35 173.64 2e9j s PRO 17 N -2.15 3.02 0.21 1.48 0.04 -1.26 -4.96 135.00 131.38 2e9j s PRO 17 Ca 0.55 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 2e9j s PRO 17 Cb -0.38 -1.97 0.17 0.00 0.04 0.00 0.00 34.50 32.36 2e9j s PRO 17 CO 0.49 -1.09 1.53 1.15 0.04 0.00 0.00 177.00 179.12 2e9j h THR 18 N 0.48 1.34 -4.26 1.26 2.02 -1.94 -3.45 112.91 108.36 2e9j h THR 18 Ca -0.48 -1.85 -0.51 0.00 0.77 0.00 0.00 66.41 64.34 2e9j h THR 18 Cb 1.25 1.85 0.12 0.00 -1.74 0.00 0.00 68.15 69.63 2e9j h THR 18 CO 0.55 0.56 0.34 -0.72 0.37 0.00 0.00 175.52 176.63 2e9j s TYR 19 N -3.91 2.58 -0.13 3.16 1.13 -1.26 -4.70 117.35 114.22 2e9j s TYR 19 Ca -0.06 1.56 -0.05 0.00 -1.41 0.00 0.00 57.07 57.11 2e9j s TYR 19 Cb 0.12 -3.11 0.06 0.00 -1.10 0.00 0.00 41.96 37.93 2e9j s TYR 19 CO 0.82 -1.77 0.25 -0.51 -2.51 0.00 0.00 175.55 171.83 2e9j s ASP 20 N -3.02 0.37 0.08 -0.18 1.01 0.11 -4.95 116.67 110.08 2e9j s ASP 20 Ca 0.64 0.57 -0.18 0.00 0.71 0.00 0.00 52.55 54.30 2e9j s ASP 20 Cb -0.19 0.66 -0.10 0.00 1.01 0.00 0.00 42.92 44.31 2e9j s ASP 20 CO 0.50 -0.24 1.43 0.00 0.21 0.00 0.00 175.17 177.07 2e9j h ALA 21 N 8.27 0.34 -0.64 5.23 0.00 -1.85 -2.92 119.26 127.69 2e9j h ALA 21 Ca -0.14 -0.31 0.19 0.00 0.00 0.00 0.00 54.91 54.64 2e9j h ALA 21 Cb 1.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2e9j h ALA 21 CO 0.14 0.22 0.51 1.03 0.00 0.00 0.00 179.25 181.15 2e9j h SER 22 N 0.24 0.00 -0.36 0.00 0.87 -1.91 0.31 113.55 112.69 2e9j h SER 22 Ca 0.05 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 2e9j h SER 22 Cb 0.64 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.50 2e9j h SER 22 CO 0.04 0.00 0.22 0.29 -0.53 0.00 0.00 176.83 176.85 2e9j n LYS 23 N -4.11 1.61 -5.14 2.24 4.76 -1.10 -4.82 118.16 111.60 2e9j n LYS 23 Ca 0.13 -1.17 -0.31 0.00 -2.87 0.00 0.00 58.31 54.09 2e9j n LYS 23 Cb 0.76 -1.50 -0.17 0.00 -1.84 0.00 0.00 35.03 32.28 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 -1.32 1.97 0.16 -0.18 1.01 0.11 -3.82 120.40 118.33 2e9j s VAL 24 Ca 0.22 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2e9j s VAL 24 Cb 0.18 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2e9j s VAL 24 CO 0.04 0.54 0.19 0.42 0.00 0.00 0.00 175.10 176.30 2e9j s THR 25 N 0.39 0.06 0.04 3.92 -4.23 -1.25 -4.95 115.64 109.61 2e9j s THR 25 Ca -0.18 -1.67 -0.05 0.00 -1.18 0.00 0.00 61.69 58.61 2e9j s THR 25 Cb -0.18 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 2e9j s THR 25 CO 0.08 -0.29 0.08 0.00 -0.54 0.00 0.00 174.62 173.95 2e9j s ALA 26 N -4.03 -0.02 -0.02 3.99 0.00 -1.26 -2.79 121.76 117.62 2e9j s ALA 26 Ca 0.23 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 2e9j s ALA 26 Cb 0.05 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2e9j s ALA 26 CO 0.03 -0.30 0.29 -1.12 0.00 0.00 0.00 175.76 174.65 2e9j s SER 27 N -2.09 -0.18 0.00 0.00 0.01 -0.94 -5.01 113.70 105.50 2e9j s SER 27 Ca -0.06 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2e9j s SER 27 Cb -0.02 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2e9j s SER 27 CO -0.04 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2e9j n GLY 28 N 1.50 0.51 0.24 3.44 0.00 -1.26 -2.57 105.19 107.06 2e9j n GLY 28 Ca -0.21 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 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 6.08 0.67 -0.40 1.61 0.13 -1.98 -2.58 132.00 135.54 2e9j h PRO 29 Ca 0.00 -0.35 0.11 0.00 -0.87 0.00 0.00 66.00 64.89 2e9j h PRO 29 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2e9j h PRO 29 CO 0.00 0.96 0.30 0.78 -0.23 0.00 0.00 178.00 179.81 2e9j h GLY 30 N 0.98 0.00 -0.97 1.56 0.00 -1.89 -0.85 103.07 101.89 2e9j h GLY 30 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2e9j h GLY 30 CO 0.09 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 177.48 2e9j n LEU 31 N -4.33 3.04 -4.60 3.11 4.77 -1.16 -4.96 117.00 112.87 2e9j n LEU 31 Ca 0.07 -3.50 -0.43 0.00 -0.03 0.00 0.00 56.01 52.11 2e9j n LEU 31 Cb 0.49 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2e9j n LEU 31 CO 0.35 1.06 1.55 -0.55 -1.33 0.00 0.00 177.39 178.47 2e9j s SER 32 N -2.81 5.87 0.40 -1.43 0.15 -0.32 -4.84 113.70 110.71 2e9j s SER 32 Ca 0.38 1.33 0.14 0.00 0.70 0.00 0.00 55.95 58.50 2e9j s SER 32 Cb 0.35 -2.53 0.99 0.00 -1.71 0.00 0.00 66.02 63.12 2e9j s SER 32 CO -0.00 -1.72 1.86 -1.28 1.20 0.00 0.00 173.24 173.30 2e9j h SER 33 N 12.98 0.49 -0.31 5.45 0.87 -1.88 0.18 113.55 131.33 2e9j h SER 33 Ca -0.34 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2e9j h SER 33 Cb 1.17 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2e9j h SER 33 CO 1.03 0.22 0.21 1.88 -0.53 0.00 0.00 176.83 179.64 2e9j h TYR 34 N 0.50 0.38 0.00 2.24 0.05 -1.95 -3.44 116.97 114.75 2e9j h TYR 34 Ca 0.46 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.24 2e9j h TYR 34 Cb 0.99 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.60 2e9j h TYR 34 CO -0.00 0.24 0.00 0.41 -1.05 0.00 0.00 178.16 177.75 2e9j n GLY 35 N -1.49 4.37 3.39 3.88 0.00 0.64 -4.91 105.19 111.07 2e9j n GLY 35 Ca 0.02 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.07 2.26 -0.21 1.61 -7.23 -0.90 -4.70 120.40 109.17 2e9j s VAL 36 Ca 0.00 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.10 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 0.07 1.60 -2.16 -0.31 0.00 0.00 175.10 174.30 2e9j s PRO 37 N -2.11 3.83 1.01 4.82 0.04 -1.26 -0.99 135.00 140.34 2e9j s PRO 37 Ca 0.14 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 2e9j s PRO 37 Cb -0.10 -4.02 0.20 0.00 0.04 0.00 0.00 34.50 30.62 2e9j s PRO 37 CO 0.06 -1.25 1.10 0.00 0.04 0.00 0.00 177.00 176.95 2e9j s ALA 38 N 5.09 0.74 -1.76 8.56 0.00 -0.93 -3.06 121.76 130.40 2e9j s ALA 38 Ca 0.71 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 2e9j s ALA 38 Cb -0.25 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.65 2e9j s ALA 38 CO 0.29 -3.18 0.46 0.45 0.00 0.00 0.00 175.76 173.78 2e9j n SER 39 N -4.50 -1.23 -3.70 0.00 2.88 0.37 -4.91 113.62 102.53 2e9j n SER 39 Ca 0.09 -1.22 -0.15 0.00 -1.33 0.00 0.00 58.87 56.25 2e9j n SER 39 Cb 0.53 -1.79 -0.15 0.00 -0.75 0.00 0.00 64.21 62.05 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 -7.28 0.27 -0.68 2.46 1.98 -1.17 -5.00 118.68 109.26 2e9j s LEU 40 Ca 0.58 0.34 -0.26 0.00 -2.89 0.00 0.00 54.13 51.90 2e9j s LEU 40 Cb -0.34 0.34 -0.03 0.00 0.66 0.00 0.00 46.19 46.83 2e9j s LEU 40 CO 1.01 -0.20 1.88 -2.16 -1.89 0.00 0.00 176.35 174.99 2e9j s PRO 41 N 1.79 2.60 0.05 0.98 0.04 -1.26 -4.29 135.00 134.92 2e9j s PRO 41 Ca -0.03 0.42 0.03 0.00 0.04 0.00 0.00 61.00 61.46 2e9j s PRO 41 Cb -0.12 -4.54 -0.04 0.00 0.04 0.00 0.00 34.50 29.85 2e9j s PRO 41 CO -0.06 -2.88 0.03 0.54 0.04 0.00 0.00 177.00 174.67 2e9j s VAL 42 N 9.33 4.29 -0.00 -0.36 0.11 -1.01 -4.89 120.40 127.87 2e9j s VAL 42 Ca 0.68 -0.75 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 2e9j s VAL 42 Cb -0.11 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 2e9j s VAL 42 CO 0.16 0.22 -0.02 1.51 -3.33 0.00 0.00 175.10 173.63 2e9j s ASP 43 N -2.07 0.30 0.36 3.54 -4.77 -1.26 -1.23 116.67 111.54 2e9j s ASP 43 Ca 0.25 -0.04 0.04 0.00 -3.30 0.00 0.00 52.55 49.49 2e9j s ASP 43 Cb -0.12 -0.04 0.04 0.00 -1.09 0.00 0.00 42.92 41.71 2e9j s ASP 43 CO 0.17 0.02 0.33 2.22 0.70 0.00 0.00 175.17 178.61 2e9j n PHE 44 N 3.09 -1.33 -4.54 2.11 -1.74 -1.06 -4.45 117.46 109.54 2e9j n PHE 44 Ca -0.13 -1.45 -0.23 0.00 -0.56 0.00 0.00 57.45 55.07 2e9j n PHE 44 Cb 0.59 -0.30 -0.16 0.00 1.52 0.00 0.00 39.48 41.12 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 1.16 -0.35 1.98 0.00 -1.06 -3.63 121.76 117.36 2e9j s ALA 45 Ca 0.25 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 2e9j s ALA 45 Cb -0.02 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.65 2e9j s ALA 45 CO 0.16 0.14 0.14 0.42 0.00 0.00 0.00 175.76 176.61 2e9j s ILE 46 N 0.47 4.07 -0.24 0.00 1.01 -0.10 -2.22 121.20 124.19 2e9j s ILE 46 Ca -0.10 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 2e9j s ILE 46 Cb -0.13 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2e9j s ILE 46 CO 0.02 -0.19 0.05 -1.81 0.00 0.00 0.00 174.94 173.01 2e9j s ASP 47 N 1.46 5.00 -0.19 3.58 1.01 -1.12 -2.15 116.67 124.26 2e9j s ASP 47 Ca -0.00 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 52.98 2e9j s ASP 47 Cb -0.19 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 2e9j s ASP 47 CO 0.04 -0.02 -0.01 0.00 0.21 0.00 0.00 175.17 175.39 2e9j s ALA 48 N 1.54 3.01 -0.20 5.23 0.00 -1.24 -3.95 121.76 126.14 2e9j s ALA 48 Ca 0.06 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 2e9j s ALA 48 Cb -0.15 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 2e9j s ALA 48 CO 0.02 -0.07 -0.18 0.54 0.00 0.00 0.00 175.76 176.07 2e9j n ARG 49 N 4.10 0.53 -0.98 0.00 1.74 -1.25 -4.66 116.66 116.13 2e9j n ARG 49 Ca -0.17 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2e9j n ARG 49 Cb 0.52 -1.59 0.16 0.00 -1.02 0.00 0.00 32.46 30.53 2e9j n ARG 49 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2e9j n ASP 50 N -4.45 2.26 0.05 0.55 8.00 -1.26 -4.66 116.55 117.03 2e9j n ASP 50 Ca -0.25 -3.69 0.08 0.00 0.71 0.00 0.00 54.79 51.64 2e9j n ASP 50 Cb 0.56 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.91 2.46 -0.61 2.24 0.00 -1.25 -4.12 120.51 118.33 2e9j n ALA 51 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2e9j n ALA 51 Cb 0.78 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 1.27 1.95 3.23 0.00 0.00 -1.26 -0.71 105.19 109.66 2e9j n GLY 52 Ca -0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 2.45 0.07 1.61 -1.05 -1.26 -4.96 118.70 115.56 2e9j s GLU 53 Ca 0.00 -0.84 -0.26 0.00 -0.15 0.00 0.00 54.97 53.72 2e9j s GLU 53 Cb 0.00 -2.05 0.09 0.00 -0.44 0.00 0.00 34.13 31.73 2e9j s GLU 53 CO 0.00 0.32 0.74 0.20 0.95 0.00 0.00 175.26 177.48 2e9j s GLY 54 N -0.05 -0.54 -0.32 -3.83 0.00 -1.26 -4.58 107.32 96.74 2e9j s GLY 54 Ca -0.06 0.81 -0.28 0.00 0.00 0.00 0.00 44.72 45.20 2e9j s GLY 54 CO 0.04 0.31 2.30 -0.10 0.00 0.00 0.00 173.10 175.64 2e9j n LEU 55 N -0.22 2.85 -4.84 0.66 7.94 -1.26 -4.58 117.00 117.55 2e9j n LEU 55 Ca -0.13 -0.03 -0.38 0.00 -1.11 0.00 0.00 56.01 54.36 2e9j n LEU 55 Cb 0.63 -1.55 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 2e9j n LEU 55 CO 0.12 -0.99 0.10 -0.22 -1.11 0.00 0.00 177.39 175.29 2e9j s LEU 56 N 9.61 4.46 0.03 -1.96 2.96 -1.26 -1.53 118.68 131.00 2e9j s LEU 56 Ca 1.01 0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 55.84 2e9j s LEU 56 Cb -0.32 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 2e9j s LEU 56 CO 0.33 0.31 0.02 0.00 -1.32 0.00 0.00 176.35 175.69 2e9j s ALA 57 N -1.12 0.14 -0.15 5.97 0.00 -1.18 -5.05 121.76 120.38 2e9j s ALA 57 Ca 0.25 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2e9j s ALA 57 Cb -0.16 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2e9j s ALA 57 CO 0.14 -0.28 -0.19 0.08 0.00 0.00 0.00 175.76 175.50 2e9j s VAL 58 N -2.58 1.90 -0.21 0.00 1.01 -1.26 -3.76 120.40 115.50 2e9j s VAL 58 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2e9j s VAL 58 Cb -0.02 -1.71 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2e9j s VAL 58 CO -0.05 0.52 -0.08 -1.58 0.00 0.00 0.00 175.10 173.91 2e9j s GLN 59 N 1.05 1.82 -0.02 2.72 2.00 -1.25 -4.97 119.66 121.01 2e9j s GLN 59 Ca -0.02 -0.86 0.06 0.00 -2.00 0.00 0.00 55.36 52.53 2e9j s GLN 59 Cb -0.14 -2.44 -0.02 0.00 0.80 0.00 0.00 33.01 31.21 2e9j s GLN 59 CO -0.06 -0.49 -0.20 0.42 -0.50 0.00 0.00 175.29 174.47 2e9j s ILE 60 N 1.42 2.62 0.25 -2.34 1.01 -1.26 -0.84 121.20 122.06 2e9j s ILE 60 Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2e9j s ILE 60 Cb -0.17 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2e9j s ILE 60 CO -0.07 0.54 0.14 0.42 0.00 0.00 0.00 174.94 175.97 2e9j s THR 61 N -0.72 0.22 0.29 2.92 -4.23 -0.90 -2.39 115.64 110.82 2e9j s THR 61 Ca 0.11 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2e9j s THR 61 Cb -0.10 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.22 2e9j s THR 61 CO 0.01 0.00 0.21 -0.90 -0.54 0.00 0.00 174.62 173.40 2e9j n ASP 62 N -0.57 1.95 -0.29 3.99 5.75 -1.20 -2.85 116.55 123.33 2e9j n ASP 62 Ca 0.02 -2.01 0.12 0.00 -0.01 0.00 0.00 54.79 52.91 2e9j n ASP 62 Cb 0.66 -0.02 0.37 0.00 -1.03 0.00 0.00 41.12 41.10 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2e9j h GLN 63 N 0.00 0.69 0.00 0.11 3.07 -1.91 0.82 115.11 117.88 2e9j h GLN 63 Ca -0.19 -0.04 -0.13 0.00 0.09 0.00 0.00 58.65 58.39 2e9j h GLN 63 Cb 0.68 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 2e9j h GLN 63 CO 0.29 0.45 -0.69 1.49 0.09 0.00 0.00 178.83 180.47 2e9j h GLU 64 N 0.71 0.00 -0.09 0.06 4.57 -1.95 -3.48 114.58 114.40 2e9j h GLU 64 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2e9j h GLU 64 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2e9j h GLU 64 CO -0.24 0.54 0.00 0.41 -1.18 0.00 0.00 179.01 178.54 2e9j n GLY 65 N 1.26 0.96 3.93 1.92 0.00 0.28 -5.11 105.19 108.44 2e9j n GLY 65 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.33 3.51 0.06 1.61 -0.14 -1.26 -4.77 119.74 118.42 2e9j s LYS 66 Ca 0.00 -0.38 -0.31 0.00 -1.36 0.00 0.00 55.97 53.93 2e9j s LYS 66 Cb 0.00 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.28 2e9j s LYS 66 CO 0.00 0.35 1.40 -1.25 -0.76 0.00 0.00 175.35 175.09 2e9j s PRO 67 N -3.61 4.30 -0.02 -1.68 0.04 -1.26 -3.26 135.00 129.51 2e9j s PRO 67 Ca 0.38 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.51 2e9j s PRO 67 Cb -0.10 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 2e9j s PRO 67 CO 0.30 -0.50 -0.18 0.15 0.04 0.00 0.00 177.00 176.81 2e9j s LYS 68 N 1.75 2.32 0.09 4.56 -0.14 -1.01 -5.01 119.74 122.30 2e9j s LYS 68 Ca 0.65 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 54.14 2e9j s LYS 68 Cb -0.34 -2.26 -0.06 0.00 -1.68 0.00 0.00 37.83 33.49 2e9j s LYS 68 CO 0.29 0.59 1.09 0.50 -0.76 0.00 0.00 175.35 177.06 2e9j s ARG 69 N -0.85 4.54 0.05 1.68 3.52 -1.26 -4.57 118.95 122.07 2e9j s ARG 69 Ca 0.12 1.63 0.03 0.00 -0.13 0.00 0.00 55.73 57.39 2e9j s ARG 69 Cb -0.10 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 2e9j s ARG 69 CO 0.01 -0.05 -0.10 0.00 -0.81 0.00 0.00 175.30 174.35 2e9j s ALA 70 N 0.52 0.80 0.17 6.12 0.00 -1.26 -4.70 121.76 123.41 2e9j s ALA 70 Ca 0.53 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 2e9j s ALA 70 Cb -0.27 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 2e9j s ALA 70 CO 0.31 0.06 0.46 0.42 0.00 0.00 0.00 175.76 177.01 2e9j s ILE 71 N -1.25 5.04 -0.11 0.00 1.01 -0.60 -5.00 121.20 120.28 2e9j s ILE 71 Ca -0.06 0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.91 2e9j s ILE 71 Cb -0.09 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2e9j s ILE 71 CO 0.01 0.03 -0.16 0.54 0.00 0.00 0.00 174.94 175.36 2e9j s VAL 72 N -1.69 1.56 -0.07 2.92 0.11 -1.26 -3.11 120.40 118.86 2e9j s VAL 72 Ca 0.43 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.83 2e9j s VAL 72 Cb -0.12 -1.42 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 2e9j s VAL 72 CO 0.22 0.45 -0.17 -1.00 -3.33 0.00 0.00 175.10 171.27 2e9j s HIS 73 N 0.99 2.64 -0.21 1.54 3.76 -0.77 -5.04 115.29 118.19 2e9j s HIS 73 Ca -0.06 -0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 54.36 2e9j s HIS 73 Cb -0.15 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 2e9j s HIS 73 CO -0.02 -0.03 -0.03 0.16 -0.85 0.00 0.00 174.74 173.96 2e9j s ASP 74 N -0.30 4.42 -0.20 1.40 1.47 -1.26 -3.41 116.67 118.80 2e9j s ASP 74 Ca 0.02 -0.34 0.06 0.00 1.18 0.00 0.00 52.55 53.47 2e9j s ASP 74 Cb -0.13 -1.76 -0.16 0.00 -0.34 0.00 0.00 42.92 40.53 2e9j s ASP 74 CO 0.03 0.01 -0.10 0.59 0.68 0.00 0.00 175.17 176.37 2e9j n ASN 75 N 4.61 1.85 -2.49 2.11 3.02 -1.26 -5.02 115.26 118.08 2e9j n ASN 75 Ca -0.18 -0.07 -0.17 0.00 -0.03 0.00 0.00 54.58 54.12 2e9j n ASN 75 Cb 0.51 0.10 0.04 0.00 -0.61 0.00 0.00 39.78 39.81 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 -2.95 -4.35 -1.21 3.52 4.76 -1.26 -4.91 118.16 111.76 2e9j n LYS 76 Ca -0.34 0.68 0.04 0.00 -2.87 0.00 0.00 58.31 55.82 2e9j n LYS 76 Cb 0.95 -5.11 0.09 0.00 -1.84 0.00 0.00 35.03 29.12 2e9j n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2e9j n ASP 77 N -1.62 1.39 0.00 4.39 2.03 -1.26 -4.95 116.55 116.53 2e9j n ASP 77 Ca -0.06 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.46 2e9j n ASP 77 Cb 0.58 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.20 0.38 3.50 0.27 0.00 -1.26 -5.03 105.19 102.85 2e9j n GLY 78 Ca 0.12 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.17 2.61 -4.23 -1.26 -3.74 115.64 106.86 2e9j s THR 79 Ca 0.00 -1.57 -0.13 0.00 -1.18 0.00 0.00 61.69 58.81 2e9j s THR 79 Cb 0.00 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.34 2e9j s THR 79 CO 0.00 0.00 0.43 -0.31 -0.54 0.00 0.00 174.62 174.20 2e9j s TYR 80 N -3.30 -0.53 -0.00 3.99 2.02 -0.91 -4.38 117.35 114.23 2e9j s TYR 80 Ca 0.29 1.23 0.04 0.00 -0.37 0.00 0.00 57.07 58.26 2e9j s TYR 80 Cb -0.00 0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.74 2e9j s TYR 80 CO 0.17 -0.27 -0.12 0.00 -1.57 0.00 0.00 175.55 173.76 2e9j s ALA 81 N 0.66 2.79 -0.04 3.71 0.00 -1.22 -0.92 121.76 126.74 2e9j s ALA 81 Ca -0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2e9j s ALA 81 Cb -0.05 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.14 2e9j s ALA 81 CO -0.04 0.58 0.08 0.08 0.00 0.00 0.00 175.76 176.47 2e9j s VAL 82 N -0.90 -0.08 0.02 0.00 1.01 -1.24 -1.85 120.40 117.36 2e9j s VAL 82 Ca 0.15 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.41 2e9j s VAL 82 Cb -0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2e9j s VAL 82 CO 0.05 0.10 -0.03 -0.89 0.00 0.00 0.00 175.10 174.33 2e9j s THR 83 N 1.39 3.91 -0.16 3.92 2.01 -1.18 -2.56 115.64 122.96 2e9j s THR 83 Ca -0.06 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 2e9j s THR 83 Cb -0.12 -2.76 0.05 0.00 0.01 0.00 0.00 72.50 69.68 2e9j s THR 83 CO -0.04 0.32 0.41 -0.72 -0.69 0.00 0.00 174.62 173.89 2e9j s TYR 84 N -1.11 -0.54 -0.54 4.92 -0.85 -0.36 -1.56 117.35 117.31 2e9j s TYR 84 Ca 0.20 1.20 -0.07 0.00 -0.52 0.00 0.00 57.07 57.89 2e9j s TYR 84 Cb -0.11 0.22 0.14 0.00 0.38 0.00 0.00 41.96 42.58 2e9j s TYR 84 CO 0.11 -0.29 0.39 0.42 -1.52 0.00 0.00 175.55 174.66 2e9j s ILE 85 N 0.90 4.05 -0.87 -3.49 1.01 -1.26 -2.39 121.20 119.15 2e9j s ILE 85 Ca -0.05 -2.21 -0.25 0.00 0.00 0.00 0.00 60.65 58.14 2e9j s ILE 85 Cb -0.06 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2e9j s ILE 85 CO -0.07 -0.81 1.94 -2.16 0.00 0.00 0.00 174.94 173.83 2e9j s PRO 86 N 0.83 2.56 -0.36 2.79 0.04 -1.26 -4.80 135.00 134.80 2e9j s PRO 86 Ca 0.10 -0.19 0.01 0.00 0.04 0.00 0.00 61.00 60.97 2e9j s PRO 86 Cb -0.22 -4.99 0.41 0.00 0.04 0.00 0.00 34.50 29.74 2e9j s PRO 86 CO -0.03 -3.31 1.77 -3.47 0.04 0.00 0.00 177.00 172.00 2e9j n ASP 87 N 13.84 4.67 -3.68 6.66 2.03 -1.26 -0.48 116.55 138.34 2e9j n ASP 87 Ca 0.38 -3.20 -0.09 0.00 0.52 0.00 0.00 54.79 52.40 2e9j n ASP 87 Cb 0.47 -0.83 -0.09 0.00 -0.72 0.00 0.00 41.12 39.95 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 -2.41 0.46 0.01 -0.67 1.02 -1.26 -4.96 119.74 111.92 2e9j s LYS 88 Ca 0.41 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 57.05 2e9j s LYS 88 Cb 0.34 0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.72 2e9j s LYS 88 CO 0.05 -0.17 1.02 0.95 -0.92 0.00 0.00 175.35 176.28 2e9j s THR 89 N 1.71 4.72 -1.77 2.17 -4.23 -1.26 -4.82 115.64 112.15 2e9j s THR 89 Ca -0.08 1.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.38 2e9j s THR 89 Cb -0.08 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.51 2e9j s THR 89 CO -0.15 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2e9j n GLY 90 N 2.97 -0.12 3.53 3.99 0.00 -1.26 -5.03 105.19 109.26 2e9j n GLY 90 Ca 0.07 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 3.07 -0.17 1.61 3.00 -1.26 -2.61 118.95 120.59 2e9j s ARG 91 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 55.73 55.16 2e9j s ARG 91 Cb 0.00 -2.68 -0.01 0.00 0.00 0.00 0.00 34.95 32.26 2e9j s ARG 91 CO 0.00 0.50 -0.11 0.71 0.00 0.00 0.00 175.30 176.40 2e9j s TYR 92 N -0.35 2.86 -0.36 -0.53 2.02 -0.10 -2.76 117.35 118.14 2e9j s TYR 92 Ca 0.05 -0.92 -0.10 0.00 -0.37 0.00 0.00 57.07 55.73 2e9j s TYR 92 Cb -0.12 -1.96 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2e9j s TYR 92 CO 0.02 -0.44 0.17 1.41 -1.57 0.00 0.00 175.55 175.15 2e9j s MET 93 N 0.95 2.79 -0.23 -0.62 1.75 -1.13 -2.37 119.30 120.45 2e9j s MET 93 Ca -0.02 -1.09 -0.09 0.00 -1.25 0.00 0.00 55.69 53.25 2e9j s MET 93 Cb -0.15 -3.65 -0.04 0.00 2.84 0.00 0.00 34.83 33.84 2e9j s MET 93 CO -0.01 -0.68 0.10 0.42 -0.65 0.00 0.00 175.02 174.21 2e9j s ILE 94 N 1.51 4.83 -0.63 10.11 1.01 -1.00 -2.13 121.20 134.91 2e9j s ILE 94 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2e9j s ILE 94 Cb -0.19 -3.24 0.16 0.00 0.01 0.00 0.00 42.46 39.21 2e9j s ILE 94 CO 0.06 0.37 0.47 -0.83 0.00 0.00 0.00 174.94 175.00 2e9j s GLY 95 N 1.08 2.47 0.03 6.18 0.00 -0.02 -0.93 107.32 116.14 2e9j s GLY 95 Ca 0.05 -3.19 -0.30 0.00 0.00 0.00 0.00 44.72 41.29 2e9j s GLY 95 CO 0.04 1.12 1.01 0.14 0.00 0.00 0.00 173.10 175.41 2e9j s VAL 96 N 0.12 4.65 0.04 1.40 1.01 -1.26 -3.74 120.40 122.62 2e9j s VAL 96 Ca 0.16 1.96 0.05 0.00 0.00 0.00 0.00 61.98 64.15 2e9j s VAL 96 Cb -0.19 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 2e9j s VAL 96 CO -0.04 0.18 -0.14 0.42 0.00 0.00 0.00 175.10 175.52 2e9j s THR 97 N 0.81 1.12 -0.09 3.92 -4.23 -1.25 -3.13 115.64 112.79 2e9j s THR 97 Ca 0.52 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 60.03 2e9j s THR 97 Cb -0.23 -1.01 0.03 0.00 1.34 0.00 0.00 72.50 72.63 2e9j s THR 97 CO 0.29 0.02 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.90 2e9j s TYR 98 N -0.83 0.93 -1.28 3.99 5.04 0.09 -3.11 117.35 122.19 2e9j s TYR 98 Ca 0.02 -0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 54.23 2e9j s TYR 98 Cb -0.08 -0.94 0.00 0.00 0.35 0.00 0.00 41.96 41.29 2e9j s TYR 98 CO 0.01 -0.40 1.09 0.41 -1.34 0.00 0.00 175.55 175.33 2e9j n GLY 99 N 5.08 -0.45 2.85 8.97 0.00 -0.58 -2.28 105.19 118.78 2e9j n GLY 99 Ca -0.09 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.56 -0.38 3.17 -0.02 0.00 -1.26 -4.94 105.19 100.20 2e9j n GLY 100 Ca -0.14 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.73 -0.03 0.27 1.61 1.11 -0.97 -5.15 116.67 110.78 2e9j s ASP 101 Ca 0.26 0.84 -0.30 0.00 0.18 0.00 0.00 52.55 53.54 2e9j s ASP 101 Cb -0.11 1.13 -0.09 0.00 1.07 0.00 0.00 42.92 44.91 2e9j s ASP 101 CO 0.32 -0.24 1.08 1.51 1.18 0.00 0.00 175.17 179.03 2e9j s ASP 102 N 2.55 7.31 0.57 0.27 1.47 -1.26 -0.73 116.67 126.85 2e9j s ASP 102 Ca -0.00 2.22 -0.17 0.00 1.18 0.00 0.00 52.55 55.78 2e9j s ASP 102 Cb -0.12 -2.62 -0.04 0.00 -0.34 0.00 0.00 42.92 39.79 2e9j s ASP 102 CO -0.11 -0.12 1.06 0.27 0.68 0.00 0.00 175.17 176.95 2e9j s ILE 103 N -1.08 3.76 -2.00 2.11 -4.36 -1.18 -4.86 121.20 113.59 2e9j s ILE 103 Ca 0.45 0.89 0.11 0.00 -0.26 0.00 0.00 60.65 61.83 2e9j s ILE 103 Cb -0.31 -3.38 0.31 0.00 1.25 0.00 0.00 42.46 40.32 2e9j s ILE 103 CO 0.40 -0.44 1.08 -0.81 0.24 0.00 0.00 174.94 175.40 2e9j n PRO 104 N -1.83 0.49 -0.07 0.37 -0.04 -1.26 -2.35 135.00 130.31 2e9j n PRO 104 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2e9j n PRO 104 Cb 0.53 -1.35 -0.15 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 -0.85 0.81 -4.89 1.53 7.99 -1.26 -4.96 117.00 115.37 2e9j n LEU 105 Ca 0.08 0.14 -0.29 0.00 -0.01 0.00 0.00 56.01 55.93 2e9j n LEU 105 Cb 0.04 0.12 0.01 0.00 -0.11 0.00 0.00 43.42 43.48 2e9j n LEU 105 CO 0.06 0.53 0.61 -0.44 -1.51 0.00 0.00 177.39 176.64 2e9j s SER 106 N -5.92 6.10 1.03 -1.43 0.01 -0.99 -4.49 113.70 108.02 2e9j s SER 106 Ca -0.12 1.15 -0.13 0.00 1.31 0.00 0.00 55.95 58.16 2e9j s SER 106 Cb 0.07 -2.26 0.21 0.00 0.21 0.00 0.00 66.02 64.25 2e9j s SER 106 CO 0.80 -0.83 1.09 -2.16 0.41 0.00 0.00 173.24 172.55 2e9j s PRO 107 N -5.02 0.14 -0.17 12.44 0.04 -1.26 -4.91 135.00 136.26 2e9j s PRO 107 Ca 0.52 0.42 -0.03 0.00 0.04 0.00 0.00 61.00 61.95 2e9j s PRO 107 Cb -0.11 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2e9j s PRO 107 CO 0.50 -2.91 -0.05 0.71 0.04 0.00 0.00 177.00 175.29 2e9j s TYR 108 N -2.97 2.98 -0.27 0.56 1.51 -0.11 -4.92 117.35 114.13 2e9j s TYR 108 Ca 0.66 -0.48 -0.13 0.00 -1.01 0.00 0.00 57.07 56.11 2e9j s TYR 108 Cb -0.18 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 2e9j s TYR 108 CO 0.58 -0.17 0.29 1.03 -1.11 0.00 0.00 175.55 176.16 2e9j s ARG 109 N 0.62 4.00 0.04 -0.62 0.52 -1.26 -2.38 118.95 119.87 2e9j s ARG 109 Ca -0.03 -0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 2e9j s ARG 109 Cb -0.15 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 2e9j s ARG 109 CO 0.03 -0.22 -0.08 0.42 0.02 0.00 0.00 175.30 175.47 2e9j s ILE 110 N 1.88 0.54 -0.19 1.52 1.01 -1.00 -4.84 121.20 120.12 2e9j s ILE 110 Ca 0.12 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2e9j s ILE 110 Cb -0.16 -0.64 0.03 0.00 0.01 0.00 0.00 42.46 41.71 2e9j s ILE 110 CO 0.10 -0.40 -0.15 -0.13 0.00 0.00 0.00 174.94 174.36 2e9j s ARG 111 N -1.65 2.48 -0.75 2.79 0.52 -1.26 -0.92 118.95 120.15 2e9j s ARG 111 Ca -0.09 -0.86 -0.27 0.00 -0.52 0.00 0.00 55.73 53.99 2e9j s ARG 111 Cb -0.09 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 32.92 2e9j s ARG 111 CO 0.00 -0.33 1.34 0.00 0.02 0.00 0.00 175.30 176.34 2e9j s ALA 112 N 1.33 2.69 -0.03 2.13 0.00 -1.07 -2.11 121.76 124.70 2e9j s ALA 112 Ca 0.01 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2e9j s ALA 112 Cb -0.15 -4.28 -0.05 0.00 0.00 0.00 0.00 23.12 18.64 2e9j s ALA 112 CO -0.10 -3.37 1.37 0.95 0.00 0.00 0.00 175.76 174.61 2e9j s THR 113 N 5.97 3.84 0.06 0.00 -4.23 -0.16 -4.27 115.64 116.85 2e9j s THR 113 Ca 0.39 1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 62.04 2e9j s THR 113 Cb -0.08 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 69.95 2e9j s THR 113 CO 0.14 -0.02 0.28 -1.58 -0.54 0.00 0.00 174.62 172.90 2e9j s GLN 114 N 2.60 3.56 -0.28 3.99 -0.44 -1.26 -2.18 119.66 125.65 2e9j s GLN 114 Ca 0.62 -0.16 0.01 0.00 -2.50 0.00 0.00 55.36 53.33 2e9j s GLN 114 Cb -0.29 -3.01 0.17 0.00 -1.64 0.00 0.00 33.01 28.24 2e9j s GLN 114 CO 0.25 0.59 0.49 0.99 0.50 0.00 0.00 175.29 178.11 2e9j s THR 115 N -1.44 -0.80 0.02 -0.34 2.01 -1.26 -5.04 115.64 108.79 2e9j s THR 115 Ca 0.33 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2e9j s THR 115 Cb -0.13 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2e9j s THR 115 CO 0.21 -0.10 0.01 0.61 -0.69 0.00 0.00 174.62 174.65 2e9j n GLY 116 N 5.39 3.76 3.28 4.40 0.00 -1.26 -5.10 105.19 115.66 2e9j n GLY 116 Ca 0.00 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.14 0.50 -0.38 1.61 -4.77 -1.26 -5.10 116.67 106.13 2e9j s ASP 117 Ca 0.01 -1.43 -0.28 0.00 -3.30 0.00 0.00 52.55 47.55 2e9j s ASP 117 Cb -0.00 0.46 -0.03 0.00 -1.09 0.00 0.00 42.92 42.26 2e9j s ASP 117 CO 0.00 -0.95 1.89 0.00 0.70 0.00 0.00 175.17 176.82 2e9j s ALA 118 N -3.92 2.63 0.00 2.11 0.00 -1.26 -5.37 121.76 115.95 2e9j s ALA 118 Ca 0.37 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2e9j s ALA 118 Cb 0.05 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2e9j s ALA 118 CO 0.16 -3.02 0.14 0.45 0.00 0.00 0.00 175.76 173.49