#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 1.09 0.19 1.61 0.01 -1.26 -5.19 113.70 110.15 2e9j s SER 2 Ca 0.00 -1.58 -0.05 0.00 1.31 0.00 0.00 55.95 55.63 2e9j s SER 2 Cb 0.00 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 2e9j s SER 2 CO 0.00 -1.07 0.21 -0.55 0.41 0.00 0.00 173.24 172.24 2e9j s SER 3 N -3.28 0.11 0.00 2.44 0.15 -1.26 -5.17 113.70 106.70 2e9j s SER 3 Ca 0.37 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2e9j s SER 3 Cb 0.03 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2e9j s SER 3 CO 0.22 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2e9j n GLY 4 N -0.25 -1.70 3.20 9.45 0.00 -1.26 -5.07 105.19 109.56 2e9j n GLY 4 Ca -0.02 -1.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.64 -0.48 0.44 1.61 1.04 -1.26 -5.17 113.70 108.24 2e9j s SER 5 Ca 0.00 0.84 0.05 0.00 0.48 0.00 0.00 55.95 57.32 2e9j s SER 5 Cb 0.00 1.60 0.01 0.00 0.10 0.00 0.00 66.02 67.73 2e9j s SER 5 CO 0.00 -0.26 0.61 -0.44 0.98 0.00 0.00 173.24 174.14 2e9j s SER 6 N 2.69 5.62 -0.18 7.02 0.01 -1.26 -5.11 113.70 122.49 2e9j s SER 6 Ca 0.07 -0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.07 2e9j s SER 6 Cb -0.14 -0.87 0.06 0.00 0.21 0.00 0.00 66.02 65.28 2e9j s SER 6 CO -0.16 -0.80 0.04 -0.83 0.41 0.00 0.00 173.24 171.89 2e9j s GLY 7 N -4.33 0.65 0.22 3.44 0.00 -1.26 -5.13 107.32 100.90 2e9j s GLY 7 Ca 0.53 -0.61 0.06 0.00 0.00 0.00 0.00 44.72 44.71 2e9j s GLY 7 CO 0.34 1.43 -0.10 -1.60 0.00 0.00 0.00 173.10 173.17 2e9j s ARG 8 N 1.90 1.34 -0.90 2.90 6.06 -1.26 -4.86 118.95 124.12 2e9j s ARG 8 Ca -0.00 -1.62 -0.02 0.00 -2.50 0.00 0.00 55.73 51.58 2e9j s ARG 8 Cb -0.17 -0.97 -0.03 0.00 0.06 0.00 0.00 34.95 33.84 2e9j s ARG 8 CO -0.08 0.09 0.77 0.43 -2.50 0.00 0.00 175.30 174.01 2e9j n SER 9 N -0.40 -3.83 -4.72 -2.12 7.64 -1.26 -5.00 113.62 103.93 2e9j n SER 9 Ca -0.07 -0.53 -0.30 0.00 1.01 0.00 0.00 58.87 58.98 2e9j n SER 9 Cb 0.62 -4.24 0.14 0.00 -1.01 0.00 0.00 64.21 59.71 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 -4.61 1.30 -0.46 1.43 0.04 -1.26 -4.92 135.00 126.52 2e9j s PRO 10 Ca 0.18 0.84 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 2e9j s PRO 10 Cb -0.02 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2e9j s PRO 10 CO 0.59 -2.22 1.77 -0.59 0.04 0.00 0.00 177.00 176.59 2e9j s PHE 11 N -2.93 1.83 0.36 0.56 -0.71 -1.26 -4.92 117.98 110.91 2e9j s PHE 11 Ca 0.63 0.70 -0.02 0.00 -1.04 0.00 0.00 56.93 57.20 2e9j s PHE 11 Cb -0.18 -4.14 0.01 0.00 -1.21 0.00 0.00 43.02 37.50 2e9j s PHE 11 CO 0.57 -2.55 0.51 0.15 -1.34 0.00 0.00 175.22 172.56 2e9j s LYS 12 N 6.12 2.01 0.27 1.99 3.01 -1.26 -5.13 119.74 126.75 2e9j s LYS 12 Ca 0.72 -1.80 -0.30 0.00 -1.01 0.00 0.00 55.97 53.57 2e9j s LYS 12 Cb -0.17 0.46 -0.12 0.00 -1.01 0.00 0.00 37.83 36.99 2e9j s LYS 12 CO 0.28 -0.84 1.56 0.28 0.51 0.00 0.00 175.35 177.14 2e9j n VAL 13 N -0.60 0.93 -3.61 3.17 0.31 -1.26 -4.97 118.33 112.31 2e9j n VAL 13 Ca 0.01 -0.23 -0.39 0.00 -0.01 0.00 0.00 64.34 63.71 2e9j n VAL 13 Cb 0.61 -1.85 -0.11 0.00 -0.91 0.00 0.00 33.84 31.58 2e9j n VAL 13 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2e9j s LYS 14 N -0.36 3.32 -0.02 5.55 1.02 -1.26 -5.07 119.74 122.92 2e9j s LYS 14 Ca 0.66 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.95 2e9j s LYS 14 Cb -0.53 -3.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.10 2e9j s LYS 14 CO 0.48 -0.46 -0.14 0.14 -0.92 0.00 0.00 175.35 174.44 2e9j s VAL 15 N 1.64 1.15 0.29 3.17 -7.23 -1.26 -5.12 120.40 113.05 2e9j s VAL 15 Ca 0.05 -0.61 -0.28 0.00 -1.81 0.00 0.00 61.98 59.32 2e9j s VAL 15 Cb -0.17 -0.96 -0.14 0.00 0.56 0.00 0.00 36.38 35.67 2e9j s VAL 15 CO 0.08 0.33 1.10 0.00 -0.31 0.00 0.00 175.10 176.30 2e9j n LEU 16 N 2.82 2.25 -4.77 1.32 -0.00 -1.26 -4.94 117.00 112.42 2e9j n LEU 16 Ca -0.15 1.18 -0.32 0.00 -0.00 0.00 0.00 56.01 56.73 2e9j n LEU 16 Cb 0.55 -1.34 0.08 0.00 -0.00 0.00 0.00 43.42 42.71 2e9j n LEU 16 CO 0.24 -1.14 0.71 -2.16 -0.00 0.00 0.00 177.39 175.05 2e9j s PRO 17 N -1.50 2.42 0.11 1.47 0.04 -1.26 -4.98 135.00 131.31 2e9j s PRO 17 Ca 0.59 1.24 0.12 0.00 0.04 0.00 0.00 61.00 62.99 2e9j s PRO 17 Cb -0.68 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 31.82 2e9j s PRO 17 CO 0.59 -1.53 1.09 1.15 0.04 0.00 0.00 177.00 178.35 2e9j h THR 18 N -0.78 1.05 -4.24 1.26 2.02 -1.94 -3.46 112.91 106.81 2e9j h THR 18 Ca -0.44 -2.65 -0.51 0.00 0.77 0.00 0.00 66.41 63.57 2e9j h THR 18 Cb 1.24 2.47 0.12 0.00 -1.74 0.00 0.00 68.15 70.23 2e9j h THR 18 CO 0.52 0.60 0.35 -0.72 0.37 0.00 0.00 175.52 176.64 2e9j s TYR 19 N -2.80 2.58 -0.18 3.16 -0.85 -1.26 -4.68 117.35 113.32 2e9j s TYR 19 Ca -0.00 1.56 -0.07 0.00 -0.52 0.00 0.00 57.07 58.03 2e9j s TYR 19 Cb 0.09 -3.13 0.08 0.00 0.38 0.00 0.00 41.96 39.37 2e9j s TYR 19 CO 0.80 -1.77 0.39 -0.51 -1.52 0.00 0.00 175.55 172.94 2e9j s ASP 20 N -2.87 -0.25 0.00 -0.18 1.01 0.21 -4.95 116.67 109.63 2e9j s ASP 20 Ca 0.65 0.91 -0.25 0.00 0.71 0.00 0.00 52.55 54.57 2e9j s ASP 20 Cb -0.19 1.09 -0.19 0.00 1.01 0.00 0.00 42.92 44.64 2e9j s ASP 20 CO 0.47 -0.22 1.35 0.00 0.21 0.00 0.00 175.17 176.98 2e9j h ALA 21 N 7.88 0.03 -1.19 5.23 0.00 -1.85 -2.99 119.26 126.37 2e9j h ALA 21 Ca -0.22 -0.21 0.34 0.00 0.00 0.00 0.00 54.91 54.82 2e9j h ALA 21 Cb 1.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2e9j h ALA 21 CO 0.17 -0.26 0.85 1.03 0.00 0.00 0.00 179.25 181.04 2e9j h SER 22 N -0.36 0.04 -0.27 0.00 0.87 -1.92 0.66 113.55 112.56 2e9j h SER 22 Ca 0.00 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 2e9j h SER 22 Cb 0.43 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.31 2e9j h SER 22 CO 0.00 0.00 0.18 0.29 -0.53 0.00 0.00 176.83 176.77 2e9j n LYS 23 N -4.22 1.38 -4.91 2.24 4.76 -1.13 -4.82 118.16 111.47 2e9j n LYS 23 Ca 0.26 -0.84 -0.33 0.00 -2.87 0.00 0.00 58.31 54.54 2e9j n LYS 23 Cb 1.23 -1.34 -0.15 0.00 -1.84 0.00 0.00 35.03 32.92 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 -0.94 2.73 -0.00 -0.18 1.01 0.23 -3.63 120.40 119.61 2e9j s VAL 24 Ca 0.16 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 2e9j s VAL 24 Cb 0.13 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.39 2e9j s VAL 24 CO 0.03 0.54 0.01 0.42 0.00 0.00 0.00 175.10 176.09 2e9j s THR 25 N 0.36 0.01 0.09 3.92 -4.23 -1.19 -4.97 115.64 109.63 2e9j s THR 25 Ca -0.13 -0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 2e9j s THR 25 Cb -0.17 -0.04 -0.03 0.00 1.34 0.00 0.00 72.50 73.60 2e9j s THR 25 CO 0.07 -0.04 -0.15 0.00 -0.54 0.00 0.00 174.62 173.95 2e9j s ALA 26 N -0.11 1.38 0.13 3.99 0.00 -1.26 -0.96 121.76 124.93 2e9j s ALA 26 Ca -0.01 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 2e9j s ALA 26 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2e9j s ALA 26 CO -0.00 0.19 0.27 -1.12 0.00 0.00 0.00 175.76 175.10 2e9j s SER 27 N -1.96 0.02 0.00 0.00 0.01 -0.95 -5.00 113.70 105.82 2e9j s SER 27 Ca 0.03 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2e9j s SER 27 Cb -0.09 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2e9j s SER 27 CO 0.03 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2e9j n GLY 28 N -0.16 0.85 0.22 3.44 0.00 -1.26 -2.36 105.19 105.92 2e9j n GLY 28 Ca -0.12 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 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 7.83 0.53 -0.57 1.61 0.13 -1.99 -2.97 132.00 136.58 2e9j h PRO 29 Ca 0.00 -0.28 0.16 0.00 -0.87 0.00 0.00 66.00 65.01 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 0.87 0.41 0.78 -0.23 0.00 0.00 178.00 179.82 2e9j h GLY 30 N 1.08 0.05 -1.48 1.56 0.00 -1.87 -0.38 103.07 102.04 2e9j h GLY 30 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 2e9j h GLY 30 CO 0.08 0.00 -0.26 1.04 0.00 0.00 0.00 176.54 177.40 2e9j n LEU 31 N -4.38 3.41 -4.64 3.11 4.77 -1.16 -4.98 117.00 113.13 2e9j n LEU 31 Ca 0.11 -3.79 -0.43 0.00 -0.03 0.00 0.00 56.01 51.87 2e9j n LEU 31 Cb 0.62 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2e9j n LEU 31 CO 0.37 1.29 1.48 -0.55 -1.33 0.00 0.00 177.39 178.65 2e9j s SER 32 N -2.85 6.34 0.28 -1.43 0.15 -0.15 -4.86 113.70 111.16 2e9j s SER 32 Ca 0.41 2.02 -0.03 0.00 0.70 0.00 0.00 55.95 59.05 2e9j s SER 32 Cb 0.38 -2.53 0.37 0.00 -1.71 0.00 0.00 66.02 62.53 2e9j s SER 32 CO -0.03 -1.23 1.91 0.77 1.20 0.00 0.00 173.24 175.86 2e9j h SER 33 N 11.00 0.98 -0.41 5.45 4.64 -1.89 -1.98 113.55 131.34 2e9j h SER 33 Ca -0.39 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2e9j h SER 33 Cb 1.19 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 2e9j h SER 33 CO 0.97 0.77 0.27 1.88 -0.87 0.00 0.00 176.83 179.85 2e9j h TYR 34 N 1.12 0.51 0.00 4.77 0.05 -1.95 -3.43 116.97 118.04 2e9j h TYR 34 Ca 0.29 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.08 2e9j h TYR 34 Cb -0.02 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.55 2e9j h TYR 34 CO 0.01 0.32 0.00 0.41 -1.05 0.00 0.00 178.16 177.84 2e9j n GLY 35 N -1.48 4.34 3.48 3.88 0.00 -0.75 -4.91 105.19 109.76 2e9j n GLY 35 Ca 0.03 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 2.79 -0.22 1.61 -7.23 -1.00 -4.71 120.40 109.63 2e9j s VAL 36 Ca 0.00 -1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 2e9j s VAL 36 Cb 0.00 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2e9j s VAL 36 CO 0.00 0.06 1.61 -2.16 -0.31 0.00 0.00 175.10 174.30 2e9j s PRO 37 N -2.26 3.79 1.06 4.82 0.04 -1.26 -1.87 135.00 139.31 2e9j s PRO 37 Ca 0.19 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 2e9j s PRO 37 Cb -0.10 -4.04 0.18 0.00 0.04 0.00 0.00 34.50 30.59 2e9j s PRO 37 CO 0.10 -1.30 0.83 0.00 0.04 0.00 0.00 177.00 176.67 2e9j n ALA 38 N 8.46 -2.38 -3.78 8.56 0.00 -1.15 -2.70 120.51 127.53 2e9j n ALA 38 Ca 0.19 -0.92 -0.32 0.00 0.00 0.00 0.00 53.44 52.39 2e9j n ALA 38 Cb 0.45 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 2e9j n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2e9j n SER 39 N -3.77 -1.38 -3.78 0.00 2.88 -1.01 -4.86 113.62 101.70 2e9j n SER 39 Ca 0.06 -0.91 -0.19 0.00 -1.33 0.00 0.00 58.87 56.49 2e9j n SER 39 Cb 0.54 -1.21 -0.17 0.00 -0.75 0.00 0.00 64.21 62.63 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 -5.72 0.79 -0.71 2.46 1.98 -1.10 -5.02 118.68 111.37 2e9j s LEU 40 Ca 0.62 -0.02 -0.26 0.00 -2.89 0.00 0.00 54.13 51.58 2e9j s LEU 40 Cb -0.36 -0.27 -0.03 0.00 0.66 0.00 0.00 46.19 46.18 2e9j s LEU 40 CO 0.76 -0.16 1.89 -2.16 -1.89 0.00 0.00 176.35 174.80 2e9j s PRO 41 N 1.53 2.60 -0.06 0.98 0.04 -1.26 -4.35 135.00 134.46 2e9j s PRO 41 Ca -0.03 0.30 -0.01 0.00 0.04 0.00 0.00 61.00 61.31 2e9j s PRO 41 Cb -0.13 -4.62 -0.03 0.00 0.04 0.00 0.00 34.50 29.76 2e9j s PRO 41 CO -0.03 -2.96 -0.01 0.54 0.04 0.00 0.00 177.00 174.58 2e9j s VAL 42 N 9.44 4.14 0.08 -0.36 0.11 -1.13 -4.88 120.40 127.80 2e9j s VAL 42 Ca 0.68 -0.37 0.05 0.00 -2.93 0.00 0.00 61.98 59.41 2e9j s VAL 42 Cb -0.11 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.96 2e9j s VAL 42 CO 0.13 0.56 -0.13 1.51 -3.33 0.00 0.00 175.10 173.85 2e9j s ASP 43 N -1.00 1.61 0.48 3.54 -4.77 -1.26 -1.30 116.67 113.98 2e9j s ASP 43 Ca 0.14 -0.69 0.01 0.00 -3.30 0.00 0.00 52.55 48.71 2e9j s ASP 43 Cb -0.11 -0.03 0.01 0.00 -1.09 0.00 0.00 42.92 41.69 2e9j s ASP 43 CO 0.04 -0.14 0.08 2.22 0.70 0.00 0.00 175.17 178.06 2e9j n PHE 44 N 0.99 0.72 -4.33 2.11 -1.74 -1.08 -4.00 117.46 110.13 2e9j n PHE 44 Ca -0.19 -2.29 -0.24 0.00 -0.56 0.00 0.00 57.45 54.17 2e9j n PHE 44 Cb 0.55 -0.33 -0.17 0.00 1.52 0.00 0.00 39.48 41.05 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 -2.79 1.17 -0.51 1.98 0.00 -1.00 -3.36 121.76 117.25 2e9j s ALA 45 Ca 0.06 -0.38 -0.17 0.00 0.00 0.00 0.00 51.96 51.47 2e9j s ALA 45 Cb -0.00 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.57 2e9j s ALA 45 CO 0.04 -0.05 0.53 0.42 0.00 0.00 0.00 175.76 176.70 2e9j s ILE 46 N 0.99 5.06 -0.29 0.00 1.01 -0.38 -2.24 121.20 125.35 2e9j s ILE 46 Ca -0.09 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 2e9j s ILE 46 Cb -0.15 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 2e9j s ILE 46 CO 0.00 -0.78 0.37 1.51 0.00 0.00 0.00 174.94 176.04 2e9j s ASP 47 N 2.95 6.24 -0.17 3.58 -4.77 -0.14 -2.84 116.67 121.52 2e9j s ASP 47 Ca 0.08 0.18 -0.02 0.00 -3.30 0.00 0.00 52.55 49.49 2e9j s ASP 47 Cb -0.24 -2.21 -0.01 0.00 -1.09 0.00 0.00 42.92 39.37 2e9j s ASP 47 CO 0.08 -0.22 -0.08 0.00 0.70 0.00 0.00 175.17 175.64 2e9j s ALA 48 N 2.07 2.75 -0.20 2.11 0.00 -1.26 -3.14 121.76 124.09 2e9j s ALA 48 Ca 0.14 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 2e9j s ALA 48 Cb -0.16 -1.47 -0.09 0.00 0.00 0.00 0.00 23.12 21.40 2e9j s ALA 48 CO 0.10 -0.05 -0.19 2.89 0.00 0.00 0.00 175.76 178.51 2e9j n ARG 49 N 4.08 0.53 -1.01 0.00 1.85 -1.25 -4.66 116.66 116.20 2e9j n ARG 49 Ca -0.18 0.38 -0.00 0.00 -1.00 0.00 0.00 57.85 57.05 2e9j n ARG 49 Cb 0.52 -1.58 0.15 0.00 -1.05 0.00 0.00 32.46 30.50 2e9j n ARG 49 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2e9j n ASP 50 N -4.44 2.27 0.04 2.89 8.00 -1.26 -4.66 116.55 119.39 2e9j n ASP 50 Ca -0.26 -3.67 0.11 0.00 0.71 0.00 0.00 54.79 51.67 2e9j n ASP 50 Cb 0.58 -0.47 -0.09 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 -0.89 2.63 -0.69 2.24 0.00 -1.24 -4.22 120.51 118.34 2e9j n ALA 51 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2e9j n ALA 51 Cb 0.79 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 1.24 1.83 3.30 0.00 0.00 -1.26 -0.62 105.19 109.67 2e9j n GLY 52 Ca -0.03 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 2.37 0.12 1.61 2.12 -1.26 -4.94 118.70 118.72 2e9j s GLU 53 Ca 0.00 -0.90 -0.25 0.00 0.36 0.00 0.00 54.97 54.18 2e9j s GLU 53 Cb 0.00 -2.13 0.07 0.00 0.26 0.00 0.00 34.13 32.34 2e9j s GLU 53 CO 0.00 0.47 0.73 0.20 -0.54 0.00 0.00 175.26 176.12 2e9j s GLY 54 N -0.38 -0.48 -0.32 -1.50 0.00 -1.26 -4.59 107.32 98.80 2e9j s GLY 54 Ca 0.03 0.52 -0.28 0.00 0.00 0.00 0.00 44.72 45.00 2e9j s GLY 54 CO 0.02 0.17 2.19 -2.27 0.00 0.00 0.00 173.10 173.21 2e9j s LEU 55 N -2.70 3.43 0.01 0.66 0.20 -1.26 -4.42 118.68 114.59 2e9j s LEU 55 Ca 0.04 1.54 -0.22 0.00 0.69 0.00 0.00 54.13 56.18 2e9j s LEU 55 Cb -0.02 -3.22 -0.05 0.00 -0.43 0.00 0.00 46.19 42.47 2e9j s LEU 55 CO -0.08 -2.18 0.65 -0.22 -0.29 0.00 0.00 176.35 174.23 2e9j s LEU 56 N 9.13 4.43 -0.06 -0.68 2.96 -1.26 -0.23 118.68 132.96 2e9j s LEU 56 Ca 0.95 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 56.12 2e9j s LEU 56 Cb -0.27 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.43 2e9j s LEU 56 CO 0.32 0.08 -0.08 0.00 -1.32 0.00 0.00 176.35 175.34 2e9j s ALA 57 N -0.15 1.02 -0.15 5.97 0.00 -0.87 -5.01 121.76 122.57 2e9j s ALA 57 Ca 0.33 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 2e9j s ALA 57 Cb -0.19 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2e9j s ALA 57 CO 0.19 -0.02 0.25 0.08 0.00 0.00 0.00 175.76 176.27 2e9j s VAL 58 N 0.93 5.33 -0.11 0.00 1.01 -1.26 -2.77 120.40 123.51 2e9j s VAL 58 Ca -0.10 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 2e9j s VAL 58 Cb -0.15 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2e9j s VAL 58 CO 0.01 0.43 -0.00 -1.58 0.00 0.00 0.00 175.10 173.96 2e9j s GLN 59 N 0.20 0.78 -0.05 2.72 0.74 -1.19 -5.01 119.66 117.85 2e9j s GLN 59 Ca 0.15 -0.11 0.03 0.00 0.05 0.00 0.00 55.36 55.48 2e9j s GLN 59 Cb -0.13 -1.41 0.01 0.00 1.10 0.00 0.00 33.01 32.58 2e9j s GLN 59 CO 0.03 -0.39 -0.13 0.42 -0.55 0.00 0.00 175.29 174.67 2e9j s ILE 60 N 1.89 1.12 0.13 -2.34 1.01 -1.26 -0.08 121.20 121.68 2e9j s ILE 60 Ca 0.03 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2e9j s ILE 60 Cb -0.14 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 2e9j s ILE 60 CO -0.06 0.35 -0.02 0.42 0.00 0.00 0.00 174.94 175.62 2e9j s THR 61 N 0.46 0.63 0.71 2.92 -4.23 -0.96 -3.21 115.64 111.96 2e9j s THR 61 Ca -0.10 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2e9j s THR 61 Cb -0.14 -1.90 0.14 0.00 1.34 0.00 0.00 72.50 71.94 2e9j s THR 61 CO 0.03 -0.67 0.98 -0.62 -0.54 0.00 0.00 174.62 173.80 2e9j s ASP 62 N -3.10 4.38 0.30 3.99 2.15 -1.06 -2.64 116.67 120.70 2e9j s ASP 62 Ca 0.18 -0.61 0.04 0.00 0.43 0.00 0.00 52.55 52.60 2e9j s ASP 62 Cb 0.06 0.29 0.67 0.00 -0.30 0.00 0.00 42.92 43.64 2e9j s ASP 62 CO -0.00 -1.86 1.80 0.06 -0.17 0.00 0.00 175.17 175.00 2e9j h GLN 63 N -0.43 0.83 0.00 4.34 3.07 -1.73 0.50 115.11 121.69 2e9j h GLN 63 Ca -0.33 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.25 2e9j h GLN 63 Cb 1.27 -0.19 -0.02 0.00 0.08 0.00 0.00 27.48 28.62 2e9j h GLN 63 CO 0.38 0.55 -0.73 1.49 0.09 0.00 0.00 178.83 180.61 2e9j h GLU 64 N 0.86 0.00 0.00 0.06 4.81 -1.94 -3.48 114.58 114.89 2e9j h GLU 64 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2e9j h GLU 64 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2e9j h GLU 64 CO -0.33 0.42 0.00 0.41 -0.73 0.00 0.00 179.01 178.78 2e9j n GLY 65 N 1.26 0.91 3.92 1.92 0.00 0.17 -5.12 105.19 108.24 2e9j n GLY 65 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 0.17 3.55 0.20 1.61 1.02 -1.26 -4.73 119.74 120.30 2e9j s LYS 66 Ca 0.00 -0.26 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 2e9j s LYS 66 Cb 0.00 -2.86 -0.09 0.00 -0.52 0.00 0.00 37.83 34.37 2e9j s LYS 66 CO 0.00 0.44 1.30 -1.25 -0.92 0.00 0.00 175.35 174.92 2e9j s PRO 67 N -3.04 4.40 -0.06 -1.68 0.04 -1.26 -2.55 135.00 130.84 2e9j s PRO 67 Ca 0.39 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.51 2e9j s PRO 67 Cb -0.12 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2e9j s PRO 67 CO 0.28 -0.24 -0.15 0.15 0.04 0.00 0.00 177.00 177.08 2e9j s LYS 68 N -0.19 1.90 0.11 4.56 -0.14 -1.20 -4.97 119.74 119.81 2e9j s LYS 68 Ca 0.56 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 2e9j s LYS 68 Cb -0.36 -1.56 -0.07 0.00 -1.68 0.00 0.00 37.83 34.16 2e9j s LYS 68 CO 0.39 0.11 1.20 0.50 -0.76 0.00 0.00 175.35 176.79 2e9j s ARG 69 N 0.43 4.46 -0.00 1.68 3.52 -1.26 -4.70 118.95 123.07 2e9j s ARG 69 Ca -0.12 1.81 0.02 0.00 -0.13 0.00 0.00 55.73 57.31 2e9j s ARG 69 Cb -0.15 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 2e9j s ARG 69 CO 0.04 -0.19 -0.05 0.00 -0.81 0.00 0.00 175.30 174.28 2e9j s ALA 70 N 0.64 0.45 0.34 6.12 0.00 -1.26 -4.57 121.76 123.48 2e9j s ALA 70 Ca 0.57 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 2e9j s ALA 70 Cb -0.31 -0.10 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 2e9j s ALA 70 CO 0.32 0.10 0.79 0.42 0.00 0.00 0.00 175.76 177.38 2e9j s ILE 71 N -0.23 4.60 -0.21 0.00 1.01 -0.53 -4.96 121.20 120.89 2e9j s ILE 71 Ca 0.01 1.11 0.01 0.00 0.00 0.00 0.00 60.65 61.78 2e9j s ILE 71 Cb -0.03 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.85 2e9j s ILE 71 CO -0.00 -0.18 -0.12 0.54 0.00 0.00 0.00 174.94 175.18 2e9j s VAL 72 N -1.99 1.80 -0.22 2.92 0.11 -1.26 -2.53 120.40 119.23 2e9j s VAL 72 Ca 0.55 -1.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.41 2e9j s VAL 72 Cb -0.11 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.87 2e9j s VAL 72 CO 0.17 0.20 0.11 -1.00 -3.33 0.00 0.00 175.10 171.24 2e9j s HIS 73 N 1.33 3.25 -0.40 1.54 3.76 -0.03 -5.03 115.29 119.70 2e9j s HIS 73 Ca -0.01 0.06 -0.13 0.00 -0.15 0.00 0.00 55.06 54.82 2e9j s HIS 73 Cb -0.16 -2.19 0.03 0.00 1.11 0.00 0.00 32.58 31.37 2e9j s HIS 73 CO -0.08 0.03 0.26 0.16 -0.85 0.00 0.00 174.74 174.26 2e9j s ASP 74 N 0.89 5.92 -0.01 1.40 1.47 -1.26 -2.72 116.67 122.37 2e9j s ASP 74 Ca 0.06 -1.00 0.15 0.00 1.18 0.00 0.00 52.55 52.93 2e9j s ASP 74 Cb -0.13 -2.09 -0.19 0.00 -0.34 0.00 0.00 42.92 40.16 2e9j s ASP 74 CO 0.03 -0.44 0.70 0.59 0.68 0.00 0.00 175.17 176.73 2e9j n ASN 75 N 5.08 0.82 -2.42 2.11 3.02 -1.26 -4.97 115.26 117.63 2e9j n ASN 75 Ca -0.11 0.38 -0.19 0.00 -0.03 0.00 0.00 54.58 54.62 2e9j n ASN 75 Cb 0.46 0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 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 -1.86 -0.70 3.52 4.76 -1.26 -4.85 118.16 114.81 2e9j n LYS 76 Ca -0.14 0.93 0.06 0.00 -2.87 0.00 0.00 58.31 56.29 2e9j n LYS 76 Cb 0.96 -5.59 0.16 0.00 -1.84 0.00 0.00 35.03 28.72 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 -1.99 1.61 0.00 4.39 8.00 -1.26 -4.95 116.55 122.35 2e9j n ASP 77 Ca -0.23 -3.43 0.00 0.00 0.71 0.00 0.00 54.79 51.84 2e9j n ASP 77 Cb 0.67 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.84 2.80 3.98 0.44 0.00 -1.26 -5.01 105.19 105.31 2e9j n GLY 78 Ca 0.16 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.90 2.24 -0.10 2.61 -4.23 -1.26 -4.22 115.64 108.79 2e9j s THR 79 Ca 0.00 -1.15 -0.09 0.00 -1.18 0.00 0.00 61.69 59.27 2e9j s THR 79 Cb 0.00 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.48 2e9j s THR 79 CO 0.00 0.00 0.27 -0.31 -0.54 0.00 0.00 174.62 174.04 2e9j s TYR 80 N -2.61 -0.29 -0.05 3.99 2.02 -1.13 -4.30 117.35 114.98 2e9j s TYR 80 Ca 0.53 0.71 0.02 0.00 -0.37 0.00 0.00 57.07 57.96 2e9j s TYR 80 Cb -0.05 0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.58 2e9j s TYR 80 CO 0.33 -0.14 -0.08 0.00 -1.57 0.00 0.00 175.55 174.08 2e9j s ALA 81 N 0.12 2.93 -0.07 3.71 0.00 -1.10 -1.25 121.76 126.10 2e9j s ALA 81 Ca -0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2e9j s ALA 81 Cb -0.02 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.99 2e9j s ALA 81 CO 0.00 0.58 0.12 0.08 0.00 0.00 0.00 175.76 176.55 2e9j s VAL 82 N -0.84 -0.20 -0.04 0.00 1.01 -1.21 -0.85 120.40 118.26 2e9j s VAL 82 Ca 0.13 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 2e9j s VAL 82 Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2e9j s VAL 82 CO 0.03 0.16 0.17 -0.89 0.00 0.00 0.00 175.10 174.56 2e9j s THR 83 N 2.19 5.43 -0.18 3.92 2.01 -1.05 -2.65 115.64 125.32 2e9j s THR 83 Ca 0.03 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 2e9j s THR 83 Cb -0.12 -3.49 0.06 0.00 0.01 0.00 0.00 72.50 68.96 2e9j s THR 83 CO -0.05 0.40 0.43 -0.72 -0.69 0.00 0.00 174.62 173.99 2e9j s TYR 84 N -1.24 -0.65 -0.43 4.92 -0.85 -0.42 -1.46 117.35 117.23 2e9j s TYR 84 Ca 0.24 1.36 -0.12 0.00 -0.52 0.00 0.00 57.07 58.03 2e9j s TYR 84 Cb -0.12 0.29 0.07 0.00 0.38 0.00 0.00 41.96 42.57 2e9j s TYR 84 CO 0.15 -0.36 0.30 0.42 -1.52 0.00 0.00 175.55 174.54 2e9j s ILE 85 N 1.49 4.70 -0.81 -3.49 1.01 -1.26 -2.84 121.20 119.99 2e9j s ILE 85 Ca -0.09 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.15 2e9j s ILE 85 Cb -0.08 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2e9j s ILE 85 CO -0.13 -0.48 1.92 -2.16 0.00 0.00 0.00 174.94 174.09 2e9j s PRO 86 N 1.54 2.57 -0.07 2.79 0.04 -1.26 -4.80 135.00 135.82 2e9j s PRO 86 Ca 0.03 -0.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.82 2e9j s PRO 86 Cb -0.23 -4.85 -0.28 0.00 0.04 0.00 0.00 34.50 29.18 2e9j s PRO 86 CO 0.05 -3.18 0.91 -0.44 0.04 0.00 0.00 177.00 174.38 2e9j h ASP 87 N 12.44 0.31 -2.12 6.66 5.19 -1.97 -2.68 116.42 134.25 2e9j h ASP 87 Ca -0.01 -0.91 -0.70 0.00 -0.62 0.00 0.00 57.03 54.78 2e9j h ASP 87 Cb 1.05 -0.10 -0.16 0.00 0.18 0.00 0.00 39.33 40.30 2e9j h ASP 87 CO 1.21 1.19 1.17 -0.54 -3.12 0.00 0.00 179.24 179.16 2e9j s LYS 88 N -2.59 3.81 0.29 3.56 -0.14 -1.26 -4.82 119.74 118.59 2e9j s LYS 88 Ca -0.15 -2.04 -0.28 0.00 -1.36 0.00 0.00 55.97 52.13 2e9j s LYS 88 Cb 0.00 -5.05 -0.14 0.00 -1.68 0.00 0.00 37.83 30.96 2e9j s LYS 88 CO 0.78 -1.83 0.97 0.25 -0.76 0.00 0.00 175.35 174.75 2e9j n THR 89 N 5.32 2.01 0.00 2.17 -2.24 -1.26 -4.65 114.28 115.62 2e9j n THR 89 Ca 0.31 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2e9j n THR 89 Cb 0.47 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2e9j n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e9j n GLY 90 N 1.27 0.41 3.88 3.38 0.00 -1.23 -4.97 105.19 107.93 2e9j n GLY 90 Ca 0.10 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 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 3.48 -0.03 1.61 0.52 -1.26 -1.29 118.95 121.99 2e9j s ARG 91 Ca 0.00 -0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2e9j s ARG 91 Cb 0.00 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.31 2e9j s ARG 91 CO 0.00 0.75 -0.07 0.71 0.02 0.00 0.00 175.30 176.70 2e9j s TYR 92 N -1.10 0.82 -0.24 -0.53 2.02 -0.59 -1.93 117.35 115.80 2e9j s TYR 92 Ca 0.19 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.70 2e9j s TYR 92 Cb -0.12 -0.61 0.05 0.00 -0.40 0.00 0.00 41.96 40.88 2e9j s TYR 92 CO 0.08 -0.11 -0.12 1.41 -1.57 0.00 0.00 175.55 175.25 2e9j s MET 93 N 0.32 2.26 -0.16 -0.62 1.75 -1.08 -2.68 119.30 119.09 2e9j s MET 93 Ca -0.05 -1.21 -0.07 0.00 -1.25 0.00 0.00 55.69 53.12 2e9j s MET 93 Cb -0.09 -2.78 -0.04 0.00 2.84 0.00 0.00 34.83 34.76 2e9j s MET 93 CO 0.00 -0.52 0.07 0.42 -0.65 0.00 0.00 175.02 174.35 2e9j s ILE 94 N 1.18 4.87 -0.47 10.11 1.01 -1.17 -2.25 121.20 134.47 2e9j s ILE 94 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2e9j s ILE 94 Cb -0.19 -3.17 0.12 0.00 0.01 0.00 0.00 42.46 39.24 2e9j s ILE 94 CO -0.06 0.50 0.22 -0.83 0.00 0.00 0.00 174.94 174.77 2e9j s GLY 95 N 0.00 2.23 0.21 6.18 0.00 0.89 -0.84 107.32 115.99 2e9j s GLY 95 Ca 0.06 -2.93 -0.25 0.00 0.00 0.00 0.00 44.72 41.61 2e9j s GLY 95 CO 0.01 1.01 0.82 0.14 0.00 0.00 0.00 173.10 175.08 2e9j s VAL 96 N 0.36 4.32 0.02 1.40 1.01 -1.26 -3.17 120.40 123.08 2e9j s VAL 96 Ca 0.14 1.72 0.01 0.00 0.00 0.00 0.00 61.98 63.84 2e9j s VAL 96 Cb -0.22 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2e9j s VAL 96 CO -0.04 0.41 -0.04 0.42 0.00 0.00 0.00 175.10 175.86 2e9j s THR 97 N -1.29 0.19 -0.15 3.92 -4.23 -1.12 -3.06 115.64 109.92 2e9j s THR 97 Ca 0.40 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 2e9j s THR 97 Cb -0.22 -0.28 0.05 0.00 1.34 0.00 0.00 72.50 73.39 2e9j s THR 97 CO 0.26 -0.33 0.05 -0.47 -0.54 0.00 0.00 174.62 173.59 2e9j s TYR 98 N -1.05 0.63 -0.64 3.99 5.04 -0.28 -2.05 117.35 122.97 2e9j s TYR 98 Ca -0.10 -0.46 -0.02 0.00 -2.44 0.00 0.00 57.07 54.05 2e9j s TYR 98 Cb -0.07 -0.84 0.00 0.00 0.35 0.00 0.00 41.96 41.40 2e9j s TYR 98 CO -0.00 -0.49 0.55 0.41 -1.34 0.00 0.00 175.55 174.68 2e9j n GLY 99 N 5.16 0.12 2.67 8.97 0.00 0.68 -3.20 105.19 119.60 2e9j n GLY 99 Ca -0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.16 -0.42 3.14 -0.02 0.00 -1.26 -4.88 105.19 100.60 2e9j n GLY 100 Ca -0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.48 -0.06 0.37 1.61 1.01 -1.19 -5.15 116.67 110.78 2e9j s ASP 101 Ca 0.16 0.74 -0.26 0.00 0.71 0.00 0.00 52.55 53.90 2e9j s ASP 101 Cb -0.07 1.22 -0.09 0.00 1.01 0.00 0.00 42.92 45.00 2e9j s ASP 101 CO 0.20 -0.25 1.15 1.51 0.21 0.00 0.00 175.17 177.98 2e9j s ASP 102 N 2.58 6.72 0.57 0.27 1.47 -1.26 -1.13 116.67 125.88 2e9j s ASP 102 Ca 0.03 2.31 -0.16 0.00 1.18 0.00 0.00 52.55 55.90 2e9j s ASP 102 Cb -0.13 -2.61 -0.05 0.00 -0.34 0.00 0.00 42.92 39.79 2e9j s ASP 102 CO -0.13 -0.54 1.05 0.27 0.68 0.00 0.00 175.17 176.50 2e9j s ILE 103 N -1.38 3.86 -2.00 2.11 -4.36 -1.17 -4.86 121.20 113.40 2e9j s ILE 103 Ca 0.54 0.92 0.06 0.00 -0.26 0.00 0.00 60.65 61.91 2e9j s ILE 103 Cb -0.30 -3.42 0.16 0.00 1.25 0.00 0.00 42.46 40.15 2e9j s ILE 103 CO 0.38 -0.48 0.80 -0.81 0.24 0.00 0.00 174.94 175.07 2e9j n PRO 104 N -1.85 0.49 -0.06 0.37 -0.04 -1.26 -2.16 135.00 130.49 2e9j n PRO 104 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2e9j n PRO 104 Cb 0.53 -1.18 -0.15 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.68 0.00 -4.87 1.53 4.77 -1.26 -4.98 117.00 111.51 2e9j n LEU 105 Ca 0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 2e9j n LEU 105 Cb 0.02 0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2e9j n LEU 105 CO 0.03 0.29 0.53 -0.94 -1.33 0.00 0.00 177.39 175.98 2e9j s SER 106 N -4.95 6.52 1.17 -1.43 1.04 -0.92 -4.42 113.70 110.71 2e9j s SER 106 Ca -0.09 1.28 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 2e9j s SER 106 Cb 0.08 -2.39 0.21 0.00 0.10 0.00 0.00 66.02 64.02 2e9j s SER 106 CO 0.80 -0.50 0.73 -0.81 0.98 0.00 0.00 173.24 174.44 2e9j n PRO 107 N -1.53 -2.45 -5.08 4.02 -0.04 -1.26 -4.92 135.00 123.74 2e9j n PRO 107 Ca 0.04 -1.17 -0.32 0.00 -0.04 0.00 0.00 63.50 62.00 2e9j n PRO 107 Cb 0.54 -1.10 -0.16 0.00 -0.04 0.00 0.00 33.50 32.74 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 -2.33 2.60 -0.31 0.54 1.51 -0.02 -4.90 117.35 114.44 2e9j s TYR 108 Ca 0.48 -0.70 -0.16 0.00 -1.01 0.00 0.00 57.07 55.68 2e9j s TYR 108 Cb -0.05 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 2e9j s TYR 108 CO 0.37 -0.21 0.41 1.03 -1.11 0.00 0.00 175.55 176.04 2e9j s ARG 109 N 0.00 3.78 0.03 -0.62 0.52 -1.26 -3.07 118.95 118.32 2e9j s ARG 109 Ca -0.07 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2e9j s ARG 109 Cb -0.15 -3.74 -0.02 0.00 0.52 0.00 0.00 34.95 31.56 2e9j s ARG 109 CO 0.05 -0.44 -0.04 0.42 0.02 0.00 0.00 175.30 175.30 2e9j s ILE 110 N 2.14 0.22 -0.15 1.52 1.01 -1.09 -4.83 121.20 120.02 2e9j s ILE 110 Ca 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2e9j s ILE 110 Cb -0.16 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 41.99 2e9j s ILE 110 CO 0.11 -0.46 -0.11 -0.13 0.00 0.00 0.00 174.94 174.36 2e9j s ARG 111 N -1.46 1.96 -0.51 2.79 0.52 -1.26 -1.54 118.95 119.44 2e9j s ARG 111 Ca -0.14 -0.51 -0.28 0.00 -0.52 0.00 0.00 55.73 54.28 2e9j s ARG 111 Cb -0.10 -2.00 0.03 0.00 0.52 0.00 0.00 34.95 33.41 2e9j s ARG 111 CO -0.01 -0.29 1.12 0.00 0.02 0.00 0.00 175.30 176.14 2e9j s ALA 112 N 1.55 3.11 -0.08 2.13 0.00 -0.41 -2.38 121.76 125.68 2e9j s ALA 112 Ca 0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 2e9j s ALA 112 Cb -0.13 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 2e9j s ALA 112 CO -0.09 -2.38 0.08 -0.08 0.00 0.00 0.00 175.76 173.29 2e9j s THR 113 N 4.50 4.92 -0.26 0.00 -1.32 -0.78 -3.51 115.64 119.19 2e9j s THR 113 Ca 0.44 -0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.81 2e9j s THR 113 Cb -0.08 -3.14 0.08 0.00 -1.51 0.00 0.00 72.50 67.85 2e9j s THR 113 CO 0.28 0.56 0.08 -1.58 -2.21 0.00 0.00 174.62 171.75 2e9j s GLN 114 N -1.13 0.57 0.00 7.08 0.74 -1.26 -2.92 119.66 122.75 2e9j s GLN 114 Ca 0.16 -0.69 -0.21 0.00 0.05 0.00 0.00 55.36 54.67 2e9j s GLN 114 Cb -0.12 -1.87 -0.21 0.00 1.10 0.00 0.00 33.01 31.92 2e9j s GLN 114 CO 0.06 -0.85 1.15 1.79 -0.55 0.00 0.00 175.29 176.88 2e9j h THR 115 N 6.48 1.43 -1.46 -0.34 1.35 -1.98 -3.47 112.91 114.92 2e9j h THR 115 Ca -0.16 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 2e9j h THR 115 Cb 1.06 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 2e9j h THR 115 CO 0.41 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 2e9j n GLY 116 N 0.86 4.36 3.30 5.82 0.00 -1.26 -5.17 105.19 113.09 2e9j n GLY 116 Ca -0.09 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 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 0.30 0.10 -0.09 1.61 1.47 -1.26 -5.11 116.67 113.68 2e9j s ASP 117 Ca 0.00 -1.25 -0.00 0.00 1.18 0.00 0.00 52.55 52.48 2e9j s ASP 117 Cb 0.00 0.43 -0.03 0.00 -0.34 0.00 0.00 42.92 42.98 2e9j s ASP 117 CO 0.00 -0.91 -0.06 0.00 0.68 0.00 0.00 175.17 174.88 2e9j s ALA 118 N -4.11 3.01 0.00 2.11 0.00 -1.26 -5.23 121.76 116.28 2e9j s ALA 118 Ca 0.33 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2e9j s ALA 118 Cb 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.86 2e9j s ALA 118 CO 0.10 0.50 0.00 -1.13 0.00 0.00 0.00 175.76 175.24