#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 1.35 0.97 1.61 0.15 -1.26 -5.15 113.70 111.37 2e9j s SER 2 Ca 0.00 -0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.30 2e9j s SER 2 Cb 0.00 -0.60 0.19 0.00 -1.71 0.00 0.00 66.02 63.90 2e9j s SER 2 CO 0.00 -0.04 1.26 -0.94 1.20 0.00 0.00 173.24 174.72 2e9j s SER 3 N 0.98 3.06 0.00 5.45 1.04 -1.26 -5.10 113.70 117.87 2e9j s SER 3 Ca -0.10 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2e9j s SER 3 Cb -0.14 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.37 2e9j s SER 3 CO 0.00 -2.78 0.00 0.61 0.98 0.00 0.00 173.24 172.05 2e9j n GLY 4 N -3.23 5.05 3.74 7.32 0.00 -1.26 -5.18 105.19 111.63 2e9j n GLY 4 Ca 0.13 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 2e9j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9j s SER 5 N 0.98 0.19 0.41 1.61 0.01 -1.26 -5.19 113.70 110.45 2e9j s SER 5 Ca 0.00 -1.20 0.05 0.00 1.31 0.00 0.00 55.95 56.11 2e9j s SER 5 Cb 0.00 0.81 -0.02 0.00 0.21 0.00 0.00 66.02 67.02 2e9j s SER 5 CO 0.00 -1.60 0.17 -1.54 0.41 0.00 0.00 173.24 170.68 2e9j n SER 6 N -1.38 1.03 -0.11 2.44 3.41 -1.26 -5.18 113.62 112.58 2e9j n SER 6 Ca -0.06 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 2e9j n SER 6 Cb 0.60 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 2e9j n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9j n GLY 7 N -0.89 6.11 3.62 5.00 0.00 -1.26 -5.18 105.19 112.59 2e9j n GLY 7 Ca -0.05 -1.69 -0.00 0.00 0.00 0.00 0.00 46.02 44.29 2e9j n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e9j s ARG 8 N 0.77 0.41 -0.02 1.61 1.70 -1.26 -5.17 118.95 117.00 2e9j s ARG 8 Ca 0.00 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.06 2e9j s ARG 8 Cb 0.00 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 2e9j s ARG 8 CO 0.00 -0.19 -0.04 -1.54 -1.08 0.00 0.00 175.30 172.45 2e9j s SER 9 N -2.77 0.68 0.93 -2.89 1.04 -1.26 -5.16 113.70 104.27 2e9j s SER 9 Ca 0.13 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2e9j s SER 9 Cb 0.03 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2e9j s SER 9 CO -0.04 0.01 0.00 -0.81 0.98 0.00 0.00 173.24 173.38 2e9j n PRO 10 N 3.41 -0.87 -3.64 4.02 -0.04 -1.26 -5.10 135.00 131.51 2e9j n PRO 10 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.21 2e9j n PRO 10 Cb 0.55 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.94 2e9j n PRO 10 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2e9j s PHE 11 N -0.93 -0.79 -1.19 0.54 0.08 -1.26 -5.07 117.98 109.37 2e9j s PHE 11 Ca 0.00 1.63 -0.05 0.00 0.12 0.00 0.00 56.93 58.64 2e9j s PHE 11 Cb 0.00 0.46 0.22 0.00 -0.57 0.00 0.00 43.02 43.13 2e9j s PHE 11 CO 0.00 -0.39 2.00 1.17 -0.10 0.00 0.00 175.22 177.90 2e9j n LYS 12 N 3.69 4.68 -3.78 0.44 3.00 -1.26 -4.90 118.16 120.03 2e9j n LYS 12 Ca -0.18 -4.00 -0.25 0.00 -0.00 0.00 0.00 58.31 53.87 2e9j n LYS 12 Cb 0.58 -2.61 -0.17 0.00 0.00 0.00 0.00 35.03 32.82 2e9j n LYS 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2e9j s VAL 13 N -2.11 0.55 -1.04 3.15 1.01 -1.26 -5.07 120.40 115.64 2e9j s VAL 13 Ca 0.44 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 2e9j s VAL 13 Cb 0.15 -0.82 0.28 0.00 0.00 0.00 0.00 36.38 36.00 2e9j s VAL 13 CO -0.06 0.10 1.20 0.29 0.00 0.00 0.00 175.10 176.63 2e9j n LYS 14 N 5.07 3.74 -4.43 2.72 5.02 -1.26 -5.00 118.16 124.02 2e9j n LYS 14 Ca -0.09 -4.52 -0.21 0.00 -2.02 0.00 0.00 58.31 51.48 2e9j n LYS 14 Cb 0.49 -2.49 -0.10 0.00 -0.02 0.00 0.00 35.03 32.91 2e9j n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2e9j s VAL 15 N -2.01 0.85 0.31 -0.18 -7.23 -1.26 -5.14 120.40 105.74 2e9j s VAL 15 Ca 0.31 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 2e9j s VAL 15 Cb -0.02 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.19 2e9j s VAL 15 CO -0.01 0.00 1.06 -1.48 -0.31 0.00 0.00 175.10 174.36 2e9j s LEU 16 N -3.47 4.45 0.85 1.32 2.34 -1.26 -5.03 118.68 117.88 2e9j s LEU 16 Ca 0.34 2.15 -0.11 0.00 0.06 0.00 0.00 54.13 56.56 2e9j s LEU 16 Cb 0.07 -3.79 0.10 0.00 -0.56 0.00 0.00 46.19 42.02 2e9j s LEU 16 CO 0.15 -0.19 1.09 -2.16 -1.06 0.00 0.00 176.35 174.18 2e9j s PRO 17 N -1.71 1.63 0.07 1.48 0.04 -1.26 -4.98 135.00 130.28 2e9j s PRO 17 Ca 0.48 0.95 0.23 0.00 0.04 0.00 0.00 61.00 62.70 2e9j s PRO 17 Cb -0.28 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.50 2e9j s PRO 17 CO 0.36 -2.02 1.06 2.41 0.04 0.00 0.00 177.00 178.85 2e9j n THR 18 N -3.75 0.23 -2.17 1.26 -1.04 -1.26 -4.93 114.28 102.62 2e9j n THR 18 Ca 0.08 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.50 2e9j n THR 18 Cb 0.54 0.10 -0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 -3.22 3.58 -0.16 -1.42 -0.85 -1.26 -4.15 117.35 109.87 2e9j s TYR 19 Ca 0.03 1.19 -0.10 0.00 -0.52 0.00 0.00 57.07 57.67 2e9j s TYR 19 Cb 0.14 -2.61 0.05 0.00 0.38 0.00 0.00 41.96 39.92 2e9j s TYR 19 CO 0.79 -0.52 0.39 -0.51 -1.52 0.00 0.00 175.55 174.19 2e9j s ASP 20 N -3.96 -0.47 -0.05 -0.18 1.01 -1.08 -4.92 116.67 107.01 2e9j s ASP 20 Ca 0.53 0.84 -0.22 0.00 0.71 0.00 0.00 52.55 54.41 2e9j s ASP 20 Cb -0.11 0.75 -0.30 0.00 1.01 0.00 0.00 42.92 44.28 2e9j s ASP 20 CO 0.48 -0.18 0.90 0.00 0.21 0.00 0.00 175.17 176.58 2e9j h ALA 21 N 6.72 -0.07 -0.02 5.23 0.00 -1.87 -3.26 119.26 126.00 2e9j h ALA 21 Ca -0.35 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2e9j h ALA 21 Cb 1.18 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2e9j h ALA 21 CO 0.29 0.33 0.08 0.66 0.00 0.00 0.00 179.25 180.61 2e9j h SER 22 N -0.42 0.00 -0.17 0.00 4.64 -1.93 0.29 113.55 115.97 2e9j h SER 22 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2e9j h SER 22 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2e9j h SER 22 CO 0.13 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 2e9j n LYS 23 N -3.18 1.49 -3.93 4.77 4.76 -1.23 -4.79 118.16 116.05 2e9j n LYS 23 Ca -0.02 -0.74 -0.35 0.00 -2.87 0.00 0.00 58.31 54.32 2e9j n LYS 23 Cb 0.15 -1.25 -0.12 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.78 4.40 0.27 -0.18 1.01 0.10 -3.91 120.40 120.31 2e9j s VAL 24 Ca 0.22 -0.16 0.12 0.00 0.00 0.00 0.00 61.98 62.16 2e9j s VAL 24 Cb 0.11 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2e9j s VAL 24 CO 0.16 0.40 -0.18 0.42 0.00 0.00 0.00 175.10 175.90 2e9j s THR 25 N 1.07 2.59 -0.02 3.92 -4.23 -1.25 -4.99 115.64 112.73 2e9j s THR 25 Ca 0.04 -2.31 0.01 0.00 -1.18 0.00 0.00 61.69 58.24 2e9j s THR 25 Cb -0.14 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.37 2e9j s THR 25 CO 0.03 -0.37 -0.01 0.00 -0.54 0.00 0.00 174.62 173.73 2e9j s ALA 26 N -2.41 0.30 -0.04 3.99 0.00 -1.26 -3.47 121.76 118.88 2e9j s ALA 26 Ca 0.29 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 2e9j s ALA 26 Cb -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2e9j s ALA 26 CO 0.15 -0.04 0.27 -1.12 0.00 0.00 0.00 175.76 175.02 2e9j s SER 27 N 0.80 -0.17 0.00 0.00 0.01 -0.77 -5.01 113.70 108.56 2e9j s SER 27 Ca -0.08 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2e9j s SER 27 Cb -0.11 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2e9j s SER 27 CO -0.01 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2e9j n GLY 28 N 1.76 0.49 0.21 3.44 0.00 -1.26 -1.39 105.19 108.45 2e9j n GLY 28 Ca -0.19 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 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 5.95 0.41 -0.27 1.61 0.13 -1.99 -2.98 132.00 134.86 2e9j h PRO 29 Ca 0.00 -0.22 0.08 0.00 -0.87 0.00 0.00 66.00 64.99 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 0.78 0.19 0.78 -0.23 0.00 0.00 178.00 179.53 2e9j h GLY 30 N 1.17 0.00 -1.92 1.56 0.00 -1.88 -0.35 103.07 101.65 2e9j h GLY 30 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2e9j h GLY 30 CO 0.08 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.66 2e9j n LEU 31 N -4.46 4.19 -4.66 3.11 4.77 -1.15 -4.97 117.00 113.83 2e9j n LEU 31 Ca 0.03 -3.03 -0.42 0.00 -0.03 0.00 0.00 56.01 52.57 2e9j n LEU 31 Cb 0.35 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2e9j n LEU 31 CO 0.35 0.68 1.60 -0.55 -1.33 0.00 0.00 177.39 178.15 2e9j s SER 32 N -1.77 6.42 0.30 -1.43 0.15 -0.14 -4.87 113.70 112.35 2e9j s SER 32 Ca 0.44 2.63 0.07 0.00 0.70 0.00 0.00 55.95 59.79 2e9j s SER 32 Cb 0.36 -2.53 0.47 0.00 -1.71 0.00 0.00 66.02 62.60 2e9j s SER 32 CO 0.10 -1.09 1.71 -1.28 1.20 0.00 0.00 173.24 173.88 2e9j h SER 33 N 10.74 0.24 -0.18 5.45 0.87 -1.89 -2.81 113.55 125.97 2e9j h SER 33 Ca -0.49 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 59.96 2e9j h SER 33 Cb 1.24 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2e9j h SER 33 CO 0.94 0.63 0.09 1.88 -0.53 0.00 0.00 176.83 179.84 2e9j h TYR 34 N 0.20 0.29 0.00 2.24 0.05 -1.97 -3.46 116.97 114.31 2e9j h TYR 34 Ca 0.02 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2e9j h TYR 34 Cb 0.80 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.45 2e9j h TYR 34 CO 0.01 0.23 0.00 0.41 -1.05 0.00 0.00 178.16 177.77 2e9j n GLY 35 N -1.35 4.45 3.23 3.88 0.00 -1.06 -4.99 105.19 109.35 2e9j n GLY 35 Ca 0.00 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 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 1.57 -0.11 1.61 -7.23 -1.02 -4.77 120.40 108.46 2e9j s VAL 36 Ca 0.00 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 2e9j s VAL 36 Cb 0.00 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 2e9j s VAL 36 CO 0.00 0.23 1.54 -2.16 -0.31 0.00 0.00 175.10 174.39 2e9j s PRO 37 N -1.03 4.13 1.01 4.82 0.04 -1.25 0.28 135.00 143.00 2e9j s PRO 37 Ca 0.07 1.95 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 2e9j s PRO 37 Cb -0.08 -3.93 0.20 0.00 0.04 0.00 0.00 34.50 30.72 2e9j s PRO 37 CO 0.01 -0.88 1.09 0.00 0.04 0.00 0.00 177.00 177.26 2e9j s ALA 38 N 4.08 0.73 -0.44 8.56 0.00 0.17 -2.81 121.76 132.06 2e9j s ALA 38 Ca 0.68 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2e9j s ALA 38 Cb -0.29 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2e9j s ALA 38 CO 0.25 -3.10 0.00 0.43 0.00 0.00 0.00 175.76 173.34 2e9j n SER 39 N -4.43 -2.11 -4.00 0.00 7.64 -0.82 -4.89 113.62 105.01 2e9j n SER 39 Ca 0.07 0.36 -0.27 0.00 1.01 0.00 0.00 58.87 60.04 2e9j n SER 39 Cb 0.53 -1.91 -0.17 0.00 -1.01 0.00 0.00 64.21 61.66 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 -5.05 1.53 -0.66 -3.43 1.98 -1.12 -5.01 118.68 106.92 2e9j s LEU 40 Ca 0.00 -0.36 -0.26 0.00 -2.89 0.00 0.00 54.13 50.61 2e9j s LEU 40 Cb 0.00 -0.96 -0.03 0.00 0.66 0.00 0.00 46.19 45.87 2e9j s LEU 40 CO 0.00 -0.03 1.88 -2.16 -1.89 0.00 0.00 176.35 174.15 2e9j s PRO 41 N 1.18 2.61 -0.00 0.98 0.04 -1.26 -4.50 135.00 134.04 2e9j s PRO 41 Ca -0.04 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.50 2e9j s PRO 41 Cb -0.14 -4.50 -0.03 0.00 0.04 0.00 0.00 34.50 29.86 2e9j s PRO 41 CO -0.03 -2.85 -0.11 0.54 0.04 0.00 0.00 177.00 174.59 2e9j s VAL 42 N 9.28 3.32 0.04 -0.36 0.11 -1.18 -4.92 120.40 126.68 2e9j s VAL 42 Ca 0.68 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2e9j s VAL 42 Cb -0.12 -2.40 -0.02 0.00 -1.53 0.00 0.00 36.38 32.31 2e9j s VAL 42 CO 0.17 0.44 -0.10 1.51 -3.33 0.00 0.00 175.10 173.79 2e9j s ASP 43 N -1.23 1.19 0.46 3.54 -4.77 -1.26 -1.46 116.67 113.14 2e9j s ASP 43 Ca 0.15 -0.50 0.07 0.00 -3.30 0.00 0.00 52.55 48.97 2e9j s ASP 43 Cb -0.11 -0.02 -0.01 0.00 -1.09 0.00 0.00 42.92 41.69 2e9j s ASP 43 CO 0.05 -0.10 0.36 0.72 0.70 0.00 0.00 175.17 176.90 2e9j s PHE 44 N -1.12 2.34 -0.07 2.11 -0.71 -0.81 -4.05 117.98 115.67 2e9j s PHE 44 Ca -0.05 -0.62 0.04 0.00 -1.04 0.00 0.00 56.93 55.27 2e9j s PHE 44 Cb -0.09 -2.06 -0.02 0.00 -1.21 0.00 0.00 43.02 39.65 2e9j s PHE 44 CO 0.01 -0.19 -0.20 0.00 -1.34 0.00 0.00 175.22 173.50 2e9j s ALA 45 N -2.59 2.39 -0.40 1.99 0.00 -0.48 -2.82 121.76 119.85 2e9j s ALA 45 Ca 0.43 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2e9j s ALA 45 Cb -0.01 -0.87 0.11 0.00 0.00 0.00 0.00 23.12 22.35 2e9j s ALA 45 CO 0.25 0.41 0.14 0.42 0.00 0.00 0.00 175.76 176.99 2e9j s ILE 46 N -0.19 2.72 -0.37 0.00 1.01 0.14 -1.84 121.20 122.67 2e9j s ILE 46 Ca -0.02 -2.39 -0.18 0.00 0.00 0.00 0.00 60.65 58.06 2e9j s ILE 46 Cb -0.14 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2e9j s ILE 46 CO 0.03 -0.67 0.50 -0.62 0.00 0.00 0.00 174.94 174.18 2e9j s ASP 47 N 1.06 6.28 -0.22 3.58 2.15 -1.23 -1.55 116.67 126.75 2e9j s ASP 47 Ca 0.11 -0.18 -0.09 0.00 0.43 0.00 0.00 52.55 52.83 2e9j s ASP 47 Cb -0.21 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2e9j s ASP 47 CO -0.06 -0.51 0.11 0.00 -0.17 0.00 0.00 175.17 174.55 2e9j s ALA 48 N 2.35 3.46 -0.21 3.66 0.00 -1.24 -3.94 121.76 125.84 2e9j s ALA 48 Ca 0.17 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 2e9j s ALA 48 Cb -0.16 -2.15 -0.11 0.00 0.00 0.00 0.00 23.12 20.70 2e9j s ALA 48 CO 0.14 -0.13 -0.16 0.54 0.00 0.00 0.00 175.76 176.14 2e9j n ARG 49 N 4.18 0.54 -0.11 0.00 1.74 -1.25 -4.66 116.66 117.10 2e9j n ARG 49 Ca -0.16 0.39 0.08 0.00 -0.77 0.00 0.00 57.85 57.40 2e9j n ARG 49 Cb 0.52 -1.59 0.12 0.00 -1.02 0.00 0.00 32.46 30.48 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 -4.42 2.08 0.00 0.55 2.03 -1.26 -4.69 116.55 110.84 2e9j n ASP 50 Ca -0.30 -2.90 0.09 0.00 0.52 0.00 0.00 54.79 52.20 2e9j n ASP 50 Cb 0.63 -0.38 0.52 0.00 -0.72 0.00 0.00 41.12 41.17 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e9j n ALA 51 N -1.23 2.17 -0.75 -1.67 0.00 -1.26 -4.40 120.51 113.37 2e9j n ALA 51 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2e9j n ALA 51 Cb 0.62 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.14 2.94 2.99 0.00 0.00 -1.26 -2.64 105.19 107.35 2e9j n GLY 52 Ca 0.13 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 1.48 0.00 1.61 2.12 -1.26 -4.97 118.70 117.68 2e9j s GLU 53 Ca 0.00 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2e9j s GLU 53 Cb 0.00 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 33.12 2e9j s GLU 53 CO 0.00 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 2e9j n GLY 54 N 3.89 1.80 3.86 -1.50 0.00 -1.26 -4.44 105.19 107.54 2e9j n GLY 54 Ca -0.23 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 2e9j n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2e9j s LEU 55 N 0.00 4.42 -0.04 0.99 1.02 -1.26 -4.89 118.68 118.93 2e9j s LEU 55 Ca 0.00 0.69 0.04 0.00 0.02 0.00 0.00 54.13 54.89 2e9j s LEU 55 Cb 0.00 -2.36 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 2e9j s LEU 55 CO 0.00 0.36 -0.16 -0.22 0.02 0.00 0.00 176.35 176.35 2e9j s LEU 56 N -1.14 2.65 -0.03 1.79 2.96 -1.26 -2.48 118.68 121.18 2e9j s LEU 56 Ca 0.20 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 53.76 2e9j s LEU 56 Cb -0.14 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.03 2e9j s LEU 56 CO 0.09 0.33 0.23 0.00 -1.32 0.00 0.00 176.35 175.69 2e9j s ALA 57 N -0.74 -0.57 -0.12 5.97 0.00 -1.15 -5.04 121.76 120.11 2e9j s ALA 57 Ca 0.12 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2e9j s ALA 57 Cb -0.11 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2e9j s ALA 57 CO 0.01 -0.21 -0.15 0.54 0.00 0.00 0.00 175.76 175.96 2e9j s VAL 58 N -0.99 1.50 -0.33 0.00 0.11 -1.26 -2.85 120.40 116.57 2e9j s VAL 58 Ca -0.11 -0.63 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 2e9j s VAL 58 Cb -0.05 -1.38 0.05 0.00 -1.53 0.00 0.00 36.38 33.46 2e9j s VAL 58 CO 0.02 0.44 0.08 -1.10 -3.33 0.00 0.00 175.10 171.21 2e9j s GLN 59 N 1.15 2.48 -0.12 1.54 1.11 -1.10 -4.86 119.66 119.86 2e9j s GLN 59 Ca -0.03 -1.29 -0.03 0.00 0.01 0.00 0.00 55.36 54.02 2e9j s GLN 59 Cb -0.14 -3.37 -0.03 0.00 -1.01 0.00 0.00 33.01 28.45 2e9j s GLN 59 CO -0.04 -0.70 0.01 0.42 0.01 0.00 0.00 175.29 174.99 2e9j s ILE 60 N 1.32 4.38 0.10 1.08 1.01 -1.26 -0.89 121.20 126.94 2e9j s ILE 60 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 2e9j s ILE 60 Cb -0.20 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2e9j s ILE 60 CO 0.01 0.56 0.02 0.42 0.00 0.00 0.00 174.94 175.95 2e9j s THR 61 N -0.43 0.16 0.47 2.92 -4.23 -0.98 -2.65 115.64 110.90 2e9j s THR 61 Ca 0.08 -1.88 0.07 0.00 -1.18 0.00 0.00 61.69 58.79 2e9j s THR 61 Cb -0.12 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 71.88 2e9j s THR 61 CO 0.02 -0.66 0.47 1.51 -0.54 0.00 0.00 174.62 175.41 2e9j s ASP 62 N -3.00 5.02 0.56 3.99 -4.77 -1.24 -2.82 116.67 114.40 2e9j s ASP 62 Ca 0.18 -0.85 0.40 0.00 -3.30 0.00 0.00 52.55 48.98 2e9j s ASP 62 Cb 0.08 -0.22 1.57 0.00 -1.09 0.00 0.00 42.92 43.26 2e9j s ASP 62 CO -0.03 -0.87 1.70 0.06 0.70 0.00 0.00 175.17 176.73 2e9j h GLN 63 N 0.80 0.00 0.00 2.11 3.07 -1.74 1.54 115.11 120.89 2e9j h GLN 63 Ca -0.38 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.23 2e9j h GLN 63 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.82 2e9j h GLN 63 CO 0.54 0.00 -1.40 -1.91 0.09 0.00 0.00 178.83 176.14 2e9j n GLU 64 N -4.01 0.62 -0.39 0.06 4.07 -1.26 -5.00 120.64 114.74 2e9j n GLU 64 Ca 0.31 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 2e9j n GLU 64 Cb 1.50 -1.78 0.00 0.00 -0.06 0.00 0.00 31.44 31.10 2e9j n GLU 64 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e9j n GLY 65 N 1.35 0.57 3.90 8.31 0.00 0.53 -5.11 105.19 114.74 2e9j n GLY 65 Ca -0.08 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.10 3.61 0.11 1.61 1.02 -1.26 -4.76 119.74 119.97 2e9j s LYS 66 Ca 0.00 -0.11 -0.31 0.00 0.02 0.00 0.00 55.97 55.57 2e9j s LYS 66 Cb 0.00 -2.82 -0.08 0.00 -0.52 0.00 0.00 37.83 34.42 2e9j s LYS 66 CO 0.00 0.43 1.37 -1.25 -0.92 0.00 0.00 175.35 174.97 2e9j s PRO 67 N -2.86 4.33 0.04 -1.68 0.04 -1.26 -3.62 135.00 130.00 2e9j s PRO 67 Ca 0.41 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.57 2e9j s PRO 67 Cb -0.12 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2e9j s PRO 67 CO 0.26 -0.41 -0.23 0.15 0.04 0.00 0.00 177.00 176.80 2e9j s LYS 68 N 1.09 1.55 0.05 4.56 -0.14 -1.09 -5.02 119.74 120.74 2e9j s LYS 68 Ca 0.64 -1.00 -0.18 0.00 -1.36 0.00 0.00 55.97 54.07 2e9j s LYS 68 Cb -0.36 -1.68 -0.06 0.00 -1.68 0.00 0.00 37.83 34.04 2e9j s LYS 68 CO 0.30 0.43 0.51 0.50 -0.76 0.00 0.00 175.35 176.33 2e9j s ARG 69 N -1.18 4.09 -0.02 1.68 6.06 -1.26 -4.52 118.95 123.80 2e9j s ARG 69 Ca 0.09 0.61 0.01 0.00 -2.50 0.00 0.00 55.73 53.94 2e9j s ARG 69 Cb -0.09 -3.23 0.01 0.00 0.06 0.00 0.00 34.95 31.70 2e9j s ARG 69 CO 0.02 0.66 -0.02 0.00 -2.50 0.00 0.00 175.30 173.45 2e9j s ALA 70 N -1.10 0.39 0.36 6.12 0.00 -1.26 -4.54 121.76 121.72 2e9j s ALA 70 Ca 0.27 -0.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 2e9j s ALA 70 Cb -0.18 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 2e9j s ALA 70 CO 0.17 0.00 1.03 0.42 0.00 0.00 0.00 175.76 177.38 2e9j s ILE 71 N 0.56 3.81 -0.33 0.00 1.01 -0.30 -4.93 121.20 121.01 2e9j s ILE 71 Ca -0.06 1.49 -0.06 0.00 0.00 0.00 0.00 60.65 62.02 2e9j s ILE 71 Cb -0.09 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.60 2e9j s ILE 71 CO -0.01 0.10 0.09 -0.69 0.00 0.00 0.00 174.94 174.44 2e9j s VAL 72 N -1.56 3.67 -0.35 2.92 1.01 -1.26 -2.65 120.40 122.18 2e9j s VAL 72 Ca 0.53 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 2e9j s VAL 72 Cb -0.23 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 2e9j s VAL 72 CO 0.29 -0.16 0.53 -2.28 0.00 0.00 0.00 175.10 173.48 2e9j s HIS 73 N 1.38 3.18 -0.39 5.22 2.46 0.59 -5.03 115.29 122.70 2e9j s HIS 73 Ca -0.02 0.23 -0.14 0.00 0.47 0.00 0.00 55.06 55.60 2e9j s HIS 73 Cb -0.19 -2.94 0.01 0.00 -0.13 0.00 0.00 32.58 29.33 2e9j s HIS 73 CO 0.02 -0.54 0.27 -0.51 -2.47 0.00 0.00 174.74 171.51 2e9j s ASP 74 N 1.75 6.01 -0.01 9.88 1.11 -1.26 -2.62 116.67 131.54 2e9j s ASP 74 Ca 0.20 -0.83 0.21 0.00 0.18 0.00 0.00 52.55 52.31 2e9j s ASP 74 Cb -0.15 -2.13 -0.23 0.00 1.07 0.00 0.00 42.92 41.48 2e9j s ASP 74 CO 0.13 -0.39 0.82 0.59 1.18 0.00 0.00 175.17 177.50 2e9j n ASN 75 N 5.12 0.75 -2.94 0.27 3.02 -1.26 -4.95 115.26 115.27 2e9j n ASN 75 Ca -0.12 -0.73 -0.20 0.00 -0.03 0.00 0.00 54.58 53.51 2e9j n ASN 75 Cb 0.47 1.21 -0.04 0.00 -0.61 0.00 0.00 39.78 40.81 2e9j n ASN 75 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2e9j n LYS 76 N -1.69 -1.06 0.00 3.52 0.00 -1.26 -4.60 118.16 113.07 2e9j n LYS 76 Ca 0.02 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2e9j n LYS 76 Cb 0.39 -2.62 0.00 0.00 -0.00 0.00 0.00 35.03 32.80 2e9j n LYS 76 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2e9j n ASP 77 N -0.99 0.85 0.00 -5.58 8.00 -1.26 -4.97 116.55 112.60 2e9j n ASP 77 Ca 0.06 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2e9j n ASP 77 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 -0.08 1.35 3.39 0.44 0.00 -1.26 -5.12 105.19 103.92 2e9j n GLY 78 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.72 115.64 106.87 2e9j s THR 79 Ca 0.00 -1.77 -0.09 0.00 -1.18 0.00 0.00 61.69 58.65 2e9j s THR 79 Cb 0.00 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.35 2e9j s THR 79 CO 0.00 0.00 0.41 -0.31 -0.54 0.00 0.00 174.62 174.18 2e9j s TYR 80 N -3.40 -0.59 0.03 3.99 1.51 -0.59 -4.15 117.35 114.14 2e9j s TYR 80 Ca 0.34 1.28 0.06 0.00 -1.01 0.00 0.00 57.07 57.74 2e9j s TYR 80 Cb 0.01 0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 42.09 2e9j s TYR 80 CO 0.21 -0.34 -0.14 0.00 -1.11 0.00 0.00 175.55 174.17 2e9j s ALA 81 N 1.34 2.74 -0.04 3.71 0.00 -1.08 0.23 121.76 128.66 2e9j s ALA 81 Ca -0.09 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 2e9j s ALA 81 Cb -0.08 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.19 2e9j s ALA 81 CO -0.12 0.59 0.01 0.08 0.00 0.00 0.00 175.76 176.32 2e9j s VAL 82 N -0.95 0.19 0.02 0.00 1.01 -1.13 -0.30 120.40 119.25 2e9j s VAL 82 Ca 0.15 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2e9j s VAL 82 Cb -0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2e9j s VAL 82 CO 0.06 0.18 0.05 -0.89 0.00 0.00 0.00 175.10 174.50 2e9j s THR 83 N 1.45 4.45 -0.15 3.92 2.01 -1.09 -1.93 115.64 124.30 2e9j s THR 83 Ca -0.04 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 2e9j s THR 83 Cb -0.13 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.38 2e9j s THR 83 CO -0.03 0.29 0.36 -0.72 -0.69 0.00 0.00 174.62 173.83 2e9j s TYR 84 N -1.22 -0.55 -0.57 4.92 1.13 -0.54 -1.15 117.35 119.38 2e9j s TYR 84 Ca 0.24 1.17 -0.09 0.00 -1.41 0.00 0.00 57.07 56.98 2e9j s TYR 84 Cb -0.12 0.20 0.15 0.00 -1.10 0.00 0.00 41.96 41.09 2e9j s TYR 84 CO 0.15 -0.33 0.45 0.42 -2.51 0.00 0.00 175.55 173.73 2e9j s ILE 85 N 1.52 4.44 -0.12 -3.49 1.01 -1.26 -3.10 121.20 120.19 2e9j s ILE 85 Ca -0.08 -2.12 -0.29 0.00 0.00 0.00 0.00 60.65 58.15 2e9j s ILE 85 Cb -0.09 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2e9j s ILE 85 CO -0.12 -0.85 1.54 -2.16 0.00 0.00 0.00 174.94 173.36 2e9j s PRO 86 N 0.88 4.10 -0.09 2.79 0.04 -1.26 -4.93 135.00 136.53 2e9j s PRO 86 Ca 0.10 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 2e9j s PRO 86 Cb -0.22 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.36 2e9j s PRO 86 CO -0.03 -0.93 -0.09 0.22 0.04 0.00 0.00 177.00 176.22 2e9j h ASP 87 N 9.50 0.00 -3.30 6.66 1.82 -1.98 -2.17 116.42 126.94 2e9j h ASP 87 Ca -0.35 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 55.73 2e9j h ASP 87 Cb 1.15 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.08 2e9j h ASP 87 CO 0.97 0.45 0.87 -0.54 -1.61 0.00 0.00 179.24 179.39 2e9j s LYS 88 N -1.71 3.51 0.29 0.28 1.02 -1.26 -4.64 119.74 117.23 2e9j s LYS 88 Ca -0.08 0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 2e9j s LYS 88 Cb 0.01 -4.00 -0.11 0.00 -0.52 0.00 0.00 37.83 33.21 2e9j s LYS 88 CO 0.11 -1.57 1.58 0.95 -0.92 0.00 0.00 175.35 175.50 2e9j s THR 89 N 4.63 2.13 -5.00 2.17 -4.23 -1.26 -4.88 115.64 109.20 2e9j s THR 89 Ca 0.41 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2e9j s THR 89 Cb -0.08 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2e9j s THR 89 CO 0.25 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2e9j n GLY 90 N 2.20 -0.98 3.68 3.99 0.00 -1.26 -4.97 105.19 107.85 2e9j n GLY 90 Ca 0.08 -1.44 -0.51 0.00 0.00 0.00 0.00 46.02 44.15 2e9j n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2e9j n ARG 91 N -0.29 1.76 -4.08 1.61 0.63 -1.26 -3.60 116.66 111.43 2e9j n ARG 91 Ca 0.00 0.64 -0.33 0.00 -0.92 0.00 0.00 57.85 57.25 2e9j n ARG 91 Cb 0.00 -2.41 -0.15 0.00 0.45 0.00 0.00 32.46 30.35 2e9j n ARG 91 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2e9j s TYR 92 N 3.20 3.05 -0.26 -0.14 2.02 -0.58 -2.03 117.35 122.61 2e9j s TYR 92 Ca 0.92 -1.97 -0.08 0.00 -0.37 0.00 0.00 57.07 55.57 2e9j s TYR 92 Cb -0.83 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 2e9j s TYR 92 CO 0.54 -0.83 0.10 1.41 -1.57 0.00 0.00 175.55 175.20 2e9j s MET 93 N 1.20 3.65 -0.15 -0.62 -2.45 -1.13 -2.62 119.30 117.19 2e9j s MET 93 Ca -0.02 -0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 53.89 2e9j s MET 93 Cb -0.17 -3.41 -0.03 0.00 1.25 0.00 0.00 34.83 32.47 2e9j s MET 93 CO -0.08 -0.22 -0.05 0.42 1.05 0.00 0.00 175.02 176.13 2e9j s ILE 94 N 1.64 3.77 -0.41 10.11 1.01 -1.06 -2.31 121.20 133.94 2e9j s ILE 94 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 2e9j s ILE 94 Cb -0.16 -2.64 0.11 0.00 0.01 0.00 0.00 42.46 39.79 2e9j s ILE 94 CO 0.05 0.50 0.18 -0.83 0.00 0.00 0.00 174.94 174.84 2e9j s GLY 95 N 0.32 2.03 -0.09 6.18 0.00 -0.07 -0.88 107.32 114.80 2e9j s GLY 95 Ca -0.05 -2.62 -0.24 0.00 0.00 0.00 0.00 44.72 41.81 2e9j s GLY 95 CO 0.03 1.01 0.76 0.14 0.00 0.00 0.00 173.10 175.04 2e9j s VAL 96 N 0.94 4.98 0.02 1.40 1.01 -1.26 -2.70 120.40 124.78 2e9j s VAL 96 Ca 0.10 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.69 2e9j s VAL 96 Cb -0.22 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2e9j s VAL 96 CO -0.05 0.17 -0.20 0.42 0.00 0.00 0.00 175.10 175.44 2e9j s THR 97 N 1.25 1.64 -0.05 3.92 -4.23 -1.13 -3.26 115.64 113.77 2e9j s THR 97 Ca 0.39 -1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2e9j s THR 97 Cb -0.18 -1.40 0.03 0.00 1.34 0.00 0.00 72.50 72.29 2e9j s THR 97 CO 0.17 0.30 0.00 -0.47 -0.54 0.00 0.00 174.62 174.08 2e9j s TYR 98 N -0.68 0.44 -1.46 3.99 5.04 0.55 -2.95 117.35 122.28 2e9j s TYR 98 Ca 0.08 -0.04 -0.04 0.00 -2.44 0.00 0.00 57.07 54.63 2e9j s TYR 98 Cb -0.08 -0.57 0.02 0.00 0.35 0.00 0.00 41.96 41.68 2e9j s TYR 98 CO 0.01 -0.20 0.36 0.41 -1.34 0.00 0.00 175.55 174.78 2e9j n GLY 99 N 4.59 -0.51 2.13 8.97 0.00 -1.03 -0.98 105.19 118.35 2e9j n GLY 99 Ca -0.17 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.22 0.39 2.82 -0.02 0.00 -1.26 -5.00 105.19 100.89 2e9j n GLY 100 Ca -0.12 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.82 0.24 -0.11 1.61 1.01 -0.15 -5.13 116.67 111.32 2e9j s ASP 101 Ca 0.00 0.19 -0.27 0.00 0.71 0.00 0.00 52.55 53.18 2e9j s ASP 101 Cb 0.00 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.98 2e9j s ASP 101 CO 0.00 -0.17 0.88 1.51 0.21 0.00 0.00 175.17 177.60 2e9j s ASP 102 N 1.44 7.10 0.78 0.27 1.47 -1.26 -0.33 116.67 126.14 2e9j s ASP 102 Ca -0.05 1.35 -0.14 0.00 1.18 0.00 0.00 52.55 54.88 2e9j s ASP 102 Cb -0.12 -2.49 0.06 0.00 -0.34 0.00 0.00 42.92 40.03 2e9j s ASP 102 CO -0.05 -0.34 1.16 2.30 0.68 0.00 0.00 175.17 178.93 2e9j n ILE 103 N 4.37 2.41 0.90 2.11 -5.35 -1.20 -4.86 119.36 117.74 2e9j n ILE 103 Ca 0.05 -0.26 0.08 0.00 -0.27 0.00 0.00 62.75 62.35 2e9j n ILE 103 Cb 0.50 -1.21 0.44 0.00 -1.74 0.00 0.00 39.64 37.63 2e9j n ILE 103 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2e9j n PRO 104 N -2.92 0.41 -0.01 6.28 -0.04 -1.26 -2.21 135.00 135.26 2e9j n PRO 104 Ca 0.14 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.62 2e9j n PRO 104 Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.08 0.57 -4.87 1.53 4.77 -1.26 -4.93 117.00 111.73 2e9j n LEU 105 Ca 0.10 0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 56.03 2e9j n LEU 105 Cb 0.07 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2e9j n LEU 105 CO 0.10 0.23 0.48 -0.94 -1.33 0.00 0.00 177.39 175.92 2e9j s SER 106 N -5.60 6.56 1.20 -1.43 1.04 -0.94 -4.38 113.70 110.15 2e9j s SER 106 Ca -0.05 1.22 -0.16 0.00 0.48 0.00 0.00 55.95 57.43 2e9j s SER 106 Cb 0.09 -2.36 0.24 0.00 0.10 0.00 0.00 66.02 64.09 2e9j s SER 106 CO 0.83 -0.41 0.85 -0.81 0.98 0.00 0.00 173.24 174.68 2e9j n PRO 107 N -1.25 -2.68 -5.02 4.02 -0.04 -1.26 -4.90 135.00 123.87 2e9j n PRO 107 Ca 0.03 -1.37 -0.30 0.00 -0.04 0.00 0.00 63.50 61.82 2e9j n PRO 107 Cb 0.54 -1.28 -0.17 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.55 2.31 -0.14 0.54 1.51 -0.06 -4.92 117.35 114.04 2e9j s TYR 108 Ca 0.55 -0.96 -0.18 0.00 -1.01 0.00 0.00 57.07 55.48 2e9j s TYR 108 Cb -0.05 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 2e9j s TYR 108 CO 0.43 -0.41 0.46 1.03 -1.11 0.00 0.00 175.55 175.95 2e9j s ARG 109 N 0.47 4.30 -0.02 -0.62 0.52 -1.26 -2.57 118.95 119.77 2e9j s ARG 109 Ca -0.17 0.39 -0.14 0.00 -0.52 0.00 0.00 55.73 55.29 2e9j s ARG 109 Cb -0.17 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 31.86 2e9j s ARG 109 CO 0.07 0.12 0.29 0.42 0.02 0.00 0.00 175.30 176.22 2e9j s ILE 110 N 0.76 0.06 -0.18 1.52 1.01 -1.08 -4.86 121.20 118.43 2e9j s ILE 110 Ca 0.24 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2e9j s ILE 110 Cb -0.15 -0.59 0.04 0.00 0.01 0.00 0.00 42.46 41.77 2e9j s ILE 110 CO 0.09 -0.26 -0.12 -0.13 0.00 0.00 0.00 174.94 174.52 2e9j s ARG 111 N -1.29 2.12 -0.41 2.79 0.52 -1.26 -1.52 118.95 119.89 2e9j s ARG 111 Ca -0.13 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.06 2e9j s ARG 111 Cb -0.05 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.14 2e9j s ARG 111 CO 0.04 -0.36 1.22 0.00 0.02 0.00 0.00 175.30 176.22 2e9j s ALA 112 N 1.43 3.20 0.06 2.13 0.00 -1.24 -2.43 121.76 124.93 2e9j s ALA 112 Ca 0.01 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.77 2e9j s ALA 112 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 2e9j s ALA 112 CO -0.09 -2.12 -0.07 -0.08 0.00 0.00 0.00 175.76 173.40 2e9j s THR 113 N 4.58 3.55 -0.34 0.00 -1.32 0.14 -4.08 115.64 118.18 2e9j s THR 113 Ca 0.52 -1.03 0.01 0.00 -1.21 0.00 0.00 61.69 59.98 2e9j s THR 113 Cb -0.11 -2.62 0.11 0.00 -1.51 0.00 0.00 72.50 68.37 2e9j s THR 113 CO 0.28 0.23 0.11 -1.58 -2.21 0.00 0.00 174.62 171.45 2e9j s GLN 114 N -1.89 0.98 -0.05 7.08 -0.44 -1.26 -0.65 119.66 123.42 2e9j s GLN 114 Ca 0.20 -1.40 0.03 0.00 -2.50 0.00 0.00 55.36 51.68 2e9j s GLN 114 Cb -0.11 -2.33 0.01 0.00 -1.64 0.00 0.00 33.01 28.94 2e9j s GLN 114 CO 0.12 -1.00 -0.11 0.99 0.50 0.00 0.00 175.29 175.78 2e9j s THR 115 N 1.26 1.04 -0.37 -0.34 2.01 -1.26 -5.03 115.64 112.94 2e9j s THR 115 Ca 0.11 -0.45 0.11 0.00 0.31 0.00 0.00 61.69 61.77 2e9j s THR 115 Cb -0.19 -0.94 0.41 0.00 0.01 0.00 0.00 72.50 71.79 2e9j s THR 115 CO -0.18 0.32 1.35 0.61 -0.69 0.00 0.00 174.62 176.04 2e9j n GLY 116 N 3.60 1.51 4.10 4.40 0.00 -1.26 -4.98 105.19 112.56 2e9j n GLY 116 Ca -0.21 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2e9j n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2e9j n ASP 117 N -0.74 -1.31 -0.06 1.61 5.75 -1.26 -4.80 116.55 115.74 2e9j n ASP 117 Ca -0.04 -1.07 -0.04 0.00 -0.01 0.00 0.00 54.79 53.63 2e9j n ASP 117 Cb 0.85 -1.37 -0.01 0.00 -1.03 0.00 0.00 41.12 39.56 2e9j n ASP 117 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2e9j n ALA 118 N -3.60 0.37 -1.72 2.12 0.00 -1.26 -5.36 120.51 111.06 2e9j n ALA 118 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2e9j n ALA 118 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2e9j n ALA 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93