#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2di9 s SER 2 N 0.00 -0.26 0.23 1.61 1.04 -1.26 -5.19 113.70 109.87 2di9 s SER 2 Ca 0.00 -0.53 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 2di9 s SER 2 Cb 0.00 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 2di9 s SER 2 CO 0.00 -1.23 0.45 -0.94 0.98 0.00 0.00 173.24 172.49 2di9 s SER 3 N -2.91 -0.09 0.00 7.02 1.04 -1.26 -5.18 113.70 112.32 2di9 s SER 3 Ca 0.11 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2di9 s SER 3 Cb -0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2di9 s SER 3 CO 0.05 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2di9 n GLY 4 N -0.35 4.28 3.36 7.32 0.00 -1.26 -5.17 105.19 113.38 2di9 n GLY 4 Ca -0.04 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 2di9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2di9 s SER 5 N 0.04 -0.25 0.19 1.61 0.15 -1.26 -5.16 113.70 109.02 2di9 s SER 5 Ca 0.00 -0.34 -0.26 0.00 0.70 0.00 0.00 55.95 56.05 2di9 s SER 5 Cb 0.00 0.50 -0.08 0.00 -1.71 0.00 0.00 66.02 64.73 2di9 s SER 5 CO 0.00 -0.90 0.82 -0.44 1.20 0.00 0.00 173.24 173.92 2di9 s SER 6 N -2.82 7.44 0.80 5.45 0.01 -1.26 -5.06 113.70 118.26 2di9 s SER 6 Ca 0.04 1.71 -0.12 0.00 1.31 0.00 0.00 55.95 58.90 2di9 s SER 6 Cb 0.01 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.79 2di9 s SER 6 CO -0.10 0.18 1.17 -0.83 0.41 0.00 0.00 173.24 174.08 2di9 s GLY 7 N -1.19 1.59 -0.18 3.44 0.00 -1.26 -5.08 107.32 104.65 2di9 s GLY 7 Ca 0.38 -0.62 -0.02 0.00 0.00 0.00 0.00 44.72 44.46 2di9 s GLY 7 CO 0.27 -0.14 -0.00 -0.35 0.00 0.00 0.00 173.10 172.88 2di9 s ASP 8 N -4.55 2.84 -0.17 1.64 2.15 -1.26 -5.11 116.67 112.20 2di9 s ASP 8 Ca 0.62 -0.73 -0.29 0.00 0.43 0.00 0.00 52.55 52.57 2di9 s ASP 8 Cb -0.11 -0.73 -0.01 0.00 -0.30 0.00 0.00 42.92 41.77 2di9 s ASP 8 CO 0.49 -0.25 1.23 0.54 -0.17 0.00 0.00 175.17 177.01 2di9 s VAL 9 N 1.76 4.34 0.60 1.11 0.11 -1.26 -5.02 120.40 122.04 2di9 s VAL 9 Ca -0.00 1.63 -0.09 0.00 -2.93 0.00 0.00 61.98 60.58 2di9 s VAL 9 Cb -0.16 -4.05 -0.03 0.00 -1.53 0.00 0.00 36.38 30.61 2di9 s VAL 9 CO -0.07 -0.14 0.98 0.42 -3.33 0.00 0.00 175.10 172.95 2di9 s THR 10 N 3.44 4.53 1.11 5.04 -4.23 -1.26 -5.07 115.64 119.21 2di9 s THR 10 Ca 0.53 0.63 -0.16 0.00 -1.18 0.00 0.00 61.69 61.51 2di9 s THR 10 Cb -0.21 -3.79 0.24 0.00 1.34 0.00 0.00 72.50 70.08 2di9 s THR 10 CO 0.13 -0.98 1.10 -0.72 -0.54 0.00 0.00 174.62 173.62 2di9 s TYR 11 N -3.10 1.26 -0.24 3.99 1.13 -1.26 -5.04 117.35 114.10 2di9 s TYR 11 Ca 0.54 0.72 -0.01 0.00 -1.41 0.00 0.00 57.07 56.91 2di9 s TYR 11 Cb -0.11 -3.37 0.03 0.00 -1.10 0.00 0.00 41.96 37.41 2di9 s TYR 11 CO 0.51 -3.43 -0.07 0.16 -2.51 0.00 0.00 175.55 170.21 2di9 s ASP 12 N -3.68 4.24 0.39 -0.18 -4.77 -1.26 -5.08 116.67 106.33 2di9 s ASP 12 Ca 0.68 -0.88 -0.13 0.00 -3.30 0.00 0.00 52.55 48.92 2di9 s ASP 12 Cb -0.14 -1.65 0.05 0.00 -1.09 0.00 0.00 42.92 40.10 2di9 s ASP 12 CO 0.57 -0.12 0.76 -0.83 0.70 0.00 0.00 175.17 176.25 2di9 s GLY 13 N 1.31 0.57 -0.05 2.12 0.00 -1.26 -5.18 107.32 104.83 2di9 s GLY 13 Ca 0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 2di9 s GLY 13 CO -0.05 -0.42 0.20 0.30 0.00 0.00 0.00 173.10 173.12 2di9 s HIS 14 N -2.24 -0.15 0.61 1.90 3.76 -1.26 -5.16 115.29 112.76 2di9 s HIS 14 Ca 0.18 0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 55.25 2di9 s HIS 14 Cb -0.04 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.66 2di9 s HIS 14 CO 0.13 -0.18 1.12 -1.25 -0.85 0.00 0.00 174.74 173.71 2di9 s PRO 15 N -0.45 3.02 0.24 8.40 0.04 -1.26 -5.03 135.00 139.97 2di9 s PRO 15 Ca -0.05 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 2di9 s PRO 15 Cb -0.04 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 2di9 s PRO 15 CO 0.01 -1.09 0.74 0.14 0.04 0.00 0.00 177.00 176.83 2di9 s VAL 16 N -2.11 4.57 0.09 -0.36 -7.23 -1.26 -5.03 120.40 109.07 2di9 s VAL 16 Ca 0.69 1.26 -0.31 0.00 -1.81 0.00 0.00 61.98 61.82 2di9 s VAL 16 Cb -0.22 -3.83 -0.07 0.00 0.56 0.00 0.00 36.38 32.82 2di9 s VAL 16 CO 0.36 0.15 1.37 -2.16 -0.31 0.00 0.00 175.10 174.51 2di9 s PRO 17 N -2.11 4.33 0.00 4.82 0.04 -1.26 -4.76 135.00 136.06 2di9 s PRO 17 Ca 0.45 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2di9 s PRO 17 Cb -0.16 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2di9 s PRO 17 CO 0.21 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2di9 n GLY 18 N 3.49 -0.26 3.18 0.56 0.00 -1.26 -4.84 105.19 106.05 2di9 n GLY 18 Ca 0.11 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 2di9 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di9 s SER 19 N -4.00 6.27 0.00 1.61 0.01 -1.26 -4.88 113.70 111.45 2di9 s SER 19 Ca 0.00 -3.52 0.11 0.00 1.31 0.00 0.00 55.95 53.85 2di9 s SER 19 Cb 0.00 -1.99 0.67 0.00 0.21 0.00 0.00 66.02 64.91 2di9 s SER 19 CO 0.00 -0.26 1.10 -0.81 0.41 0.00 0.00 173.24 173.68 2di9 n PRO 20 N 2.67 0.49 -0.98 12.44 -0.04 -1.26 -3.16 135.00 145.15 2di9 n PRO 20 Ca 0.20 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.46 2di9 n PRO 20 Cb 0.38 -1.36 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 2di9 n PRO 20 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2di9 n TYR 21 N -0.86 2.35 -4.89 0.54 9.36 -1.26 -4.88 117.16 117.52 2di9 n TYR 21 Ca 0.08 -1.78 -0.28 0.00 3.32 0.00 0.00 57.90 59.24 2di9 n TYR 21 Cb 0.04 -0.89 -0.16 0.00 -0.63 0.00 0.00 39.34 37.69 2di9 n TYR 21 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2di9 s THR 22 N -2.79 1.55 -1.16 2.97 -4.23 -1.19 -5.07 115.64 105.72 2di9 s THR 22 Ca 0.45 -0.75 -0.18 0.00 -1.18 0.00 0.00 61.69 60.02 2di9 s THR 22 Cb 0.37 -1.35 0.10 0.00 1.34 0.00 0.00 72.50 72.95 2di9 s THR 22 CO 0.06 0.45 1.52 0.68 -0.54 0.00 0.00 174.62 176.78 2di9 s VAL 23 N 0.27 4.36 -0.27 2.29 -7.23 -1.26 -4.83 120.40 113.73 2di9 s VAL 23 Ca -0.10 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2di9 s VAL 23 Cb -0.14 -5.04 0.17 0.00 0.56 0.00 0.00 36.38 31.92 2di9 s VAL 23 CO 0.04 -1.84 2.08 -0.62 -0.31 0.00 0.00 175.10 174.45 2di9 n GLU 24 N 7.64 1.71 -1.32 4.82 1.02 -1.26 -4.40 120.64 128.85 2di9 n GLU 24 Ca 0.39 -1.35 -0.27 0.00 -0.02 0.00 0.00 57.16 55.90 2di9 n GLU 24 Cb 0.47 -1.55 0.12 0.00 -0.02 0.00 0.00 31.44 30.45 2di9 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2di9 n ALA 25 N 0.58 5.76 -3.15 0.62 0.00 -1.26 -4.83 120.51 118.23 2di9 n ALA 25 Ca 0.27 -3.31 0.05 0.00 0.00 0.00 0.00 53.44 50.45 2di9 n ALA 25 Cb 0.57 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 2di9 n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2di9 s SER 26 N -1.96 -0.35 0.01 0.00 0.15 -1.26 -5.17 113.70 105.12 2di9 s SER 26 Ca 0.59 0.22 0.01 0.00 0.70 0.00 0.00 55.95 57.47 2di9 s SER 26 Cb 0.48 1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 66.07 2di9 s SER 26 CO 0.03 -0.07 -0.04 -0.76 1.20 0.00 0.00 173.24 173.60 2di9 s LEU 27 N 2.96 2.10 0.50 3.45 1.43 -1.26 -5.12 118.68 122.74 2di9 s LEU 27 Ca -0.03 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2di9 s LEU 27 Cb -0.10 -0.13 -0.07 0.00 0.03 0.00 0.00 46.19 45.93 2di9 s LEU 27 CO -0.10 -0.06 1.15 -2.16 0.23 0.00 0.00 176.35 175.40 2di9 s PRO 28 N -0.62 3.54 -0.03 1.29 0.04 -1.26 -3.49 135.00 134.48 2di9 s PRO 28 Ca -0.04 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2di9 s PRO 28 Cb -0.04 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2di9 s PRO 28 CO -0.00 -0.71 1.47 -1.25 0.04 0.00 0.00 177.00 176.55 2di9 s PRO 29 N -3.01 4.24 -0.47 0.56 0.04 -1.26 -4.12 135.00 130.99 2di9 s PRO 29 Ca 0.68 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.78 2di9 s PRO 29 Cb -0.26 -3.70 0.12 0.00 0.04 0.00 0.00 34.50 30.70 2di9 s PRO 29 CO 0.30 -0.67 0.22 -0.51 0.04 0.00 0.00 177.00 176.38 2di9 s ASP 30 N 2.30 4.30 0.23 6.66 1.01 0.32 -4.95 116.67 126.54 2di9 s ASP 30 Ca 0.66 -2.78 0.00 0.00 0.71 0.00 0.00 52.55 51.14 2di9 s ASP 30 Cb -0.31 -1.54 0.25 0.00 1.01 0.00 0.00 42.92 42.33 2di9 s ASP 30 CO 0.26 -0.27 1.60 1.55 0.21 0.00 0.00 175.17 178.53 2di9 h PRO 31 N 6.76 0.47 0.00 8.23 0.13 -1.89 -2.91 132.00 142.80 2di9 h PRO 31 Ca -0.07 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2di9 h PRO 31 Cb 0.92 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2di9 h PRO 31 CO 0.63 0.82 0.24 0.66 -0.23 0.00 0.00 178.00 180.12 2di9 h SER 32 N 0.39 0.00 0.63 1.44 4.64 -1.93 0.63 113.55 119.35 2di9 h SER 32 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2di9 h SER 32 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2di9 h SER 32 CO 0.08 0.00 -1.16 0.29 -0.87 0.00 0.00 176.83 175.17 2di9 n LYS 33 N -2.77 0.49 -1.95 4.77 4.76 -1.10 -4.86 118.16 117.50 2di9 n LYS 33 Ca -0.02 0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 2di9 n LYS 33 Cb 0.28 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 2di9 n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2di9 s VAL 34 N -3.32 3.42 -0.16 -0.18 1.01 0.22 -4.82 120.40 116.57 2di9 s VAL 34 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 2di9 s VAL 34 Cb 0.12 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2di9 s VAL 34 CO 0.81 -0.37 -0.09 -0.54 0.00 0.00 0.00 175.10 174.91 2di9 s LYS 35 N 5.75 3.43 -0.25 2.72 -0.14 -1.23 -4.74 119.74 125.28 2di9 s LYS 35 Ca 0.82 -0.64 -0.05 0.00 -1.36 0.00 0.00 55.97 54.74 2di9 s LYS 35 Cb -0.24 -2.80 -0.01 0.00 -1.68 0.00 0.00 37.83 33.11 2di9 s LYS 35 CO 0.34 0.08 0.02 0.00 -0.76 0.00 0.00 175.35 175.03 2di9 s ALA 36 N 0.72 2.97 -0.02 5.17 0.00 -1.26 -1.53 121.76 127.82 2di9 s ALA 36 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2di9 s ALA 36 Cb -0.15 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2di9 s ALA 36 CO 0.02 -0.59 0.01 -3.38 0.00 0.00 0.00 175.76 171.82 2di9 s HIS 37 N 1.51 0.09 0.00 0.00 -3.43 -0.60 -5.01 115.29 107.86 2di9 s HIS 37 Ca 0.05 0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 2di9 s HIS 37 Cb -0.15 -0.21 0.00 0.00 -1.43 0.00 0.00 32.58 30.78 2di9 s HIS 37 CO -0.00 -0.07 0.00 0.41 -2.00 0.00 0.00 174.74 173.08 2di9 n GLY 38 N 3.86 -0.13 0.27 -1.38 0.00 -1.26 -0.12 105.19 106.43 2di9 n GLY 38 Ca -0.23 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 2di9 n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2di9 h PRO 39 N 0.00 0.94 -0.32 1.61 0.13 -1.91 -3.04 132.00 129.41 2di9 h PRO 39 Ca 0.00 -0.49 0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2di9 h PRO 39 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2di9 h PRO 39 CO 0.00 1.15 0.36 0.78 -0.23 0.00 0.00 178.00 180.06 2di9 h GLY 40 N 0.78 0.00 0.36 1.56 0.00 -0.89 -0.45 103.07 104.43 2di9 h GLY 40 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 2di9 h GLY 40 CO 0.09 0.00 -0.21 1.41 0.00 0.00 0.00 176.54 177.84 2di9 h LEU 41 N 0.00 0.17 -0.87 3.11 3.38 -1.78 -3.31 115.31 116.01 2di9 h LEU 41 Ca 0.15 -0.82 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 2di9 h LEU 41 Cb 0.88 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2di9 h LEU 41 CO -0.00 0.97 0.22 -0.33 0.09 0.00 0.00 178.44 179.38 2di9 h GLU 42 N -0.61 1.05 0.00 1.13 4.39 -1.32 -3.27 114.58 115.95 2di9 h GLU 42 Ca -0.03 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2di9 h GLU 42 Cb 1.01 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2di9 h GLU 42 CO 0.04 0.90 0.00 0.41 -1.16 0.00 0.00 179.01 179.20 2di9 n GLY 43 N -0.83 -0.12 0.00 -3.84 0.00 -0.28 -1.63 105.19 98.49 2di9 n GLY 43 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2di9 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2di9 n GLY 44 N 0.00 -0.87 3.13 -0.02 0.00 -1.17 -4.05 105.19 102.21 2di9 n GLY 44 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2di9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2di9 s LEU 45 N 0.00 1.29 0.32 0.99 1.43 -1.26 -2.49 118.68 118.96 2di9 s LEU 45 Ca 0.00 0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 2di9 s LEU 45 Cb 0.00 0.81 -0.11 0.00 0.03 0.00 0.00 46.19 46.92 2di9 s LEU 45 CO 0.00 -0.28 1.47 -0.69 0.23 0.00 0.00 176.35 177.08 2di9 s VAL 46 N -0.86 2.31 0.00 -1.59 1.01 -0.88 -1.90 120.40 118.48 2di9 s VAL 46 Ca -0.09 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2di9 s VAL 46 Cb -0.05 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2di9 s VAL 46 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2di9 n GLY 47 N 1.33 2.99 3.88 4.51 0.00 -1.17 -4.65 105.19 112.08 2di9 n GLY 47 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2di9 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2di9 s LYS 48 N -0.07 3.37 0.65 1.61 1.02 -0.80 -4.97 119.74 120.56 2di9 s LYS 48 Ca 0.00 -0.32 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 2di9 s LYS 48 Cb 0.00 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2di9 s LYS 48 CO 0.00 0.69 1.11 -1.25 -0.92 0.00 0.00 175.35 174.98 2di9 s PRO 49 N -1.76 2.84 -0.17 -1.68 0.04 -1.26 -4.41 135.00 128.59 2di9 s PRO 49 Ca 0.25 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 2di9 s PRO 49 Cb -0.12 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.54 2di9 s PRO 49 CO 0.16 -1.22 0.37 0.00 0.04 0.00 0.00 177.00 176.35 2di9 s ALA 50 N -2.30 -0.96 0.33 8.56 0.00 -0.63 -4.83 121.76 121.93 2di9 s ALA 50 Ca 0.67 1.35 0.04 0.00 0.00 0.00 0.00 51.96 54.01 2di9 s ALA 50 Cb -0.21 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2di9 s ALA 50 CO 0.40 -0.62 0.15 -1.83 0.00 0.00 0.00 175.76 173.86 2di9 s GLU 51 N 2.29 1.69 0.33 0.00 4.04 -1.25 -0.86 118.70 124.95 2di9 s GLU 51 Ca -0.03 -1.98 0.01 0.00 0.04 0.00 0.00 54.97 53.01 2di9 s GLU 51 Cb -0.11 -0.28 -0.01 0.00 0.02 0.00 0.00 34.13 33.75 2di9 s GLU 51 CO -0.12 -0.44 0.40 -0.59 -1.84 0.00 0.00 175.26 172.67 2di9 s PHE 52 N -3.47 1.30 -0.24 4.83 -0.71 -1.17 -0.43 117.98 118.08 2di9 s PHE 52 Ca 0.33 -1.42 -0.03 0.00 -1.04 0.00 0.00 56.93 54.77 2di9 s PHE 52 Cb 0.05 -0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.56 2di9 s PHE 52 CO 0.17 -1.03 -0.05 0.99 -1.34 0.00 0.00 175.22 173.95 2di9 s THR 53 N -3.22 3.07 -0.16 -4.49 2.01 0.83 -4.29 115.64 109.40 2di9 s THR 53 Ca 0.34 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 2di9 s THR 53 Cb 0.01 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2di9 s THR 53 CO 0.22 0.28 0.04 -0.63 -0.69 0.00 0.00 174.62 173.85 2di9 s ILE 54 N 1.39 4.60 -0.80 1.82 1.01 -1.26 -1.56 121.20 126.40 2di9 s ILE 54 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 2di9 s ILE 54 Cb -0.16 -3.04 0.20 0.00 0.01 0.00 0.00 42.46 39.48 2di9 s ILE 54 CO -0.04 0.50 0.67 -1.81 0.00 0.00 0.00 174.94 174.26 2di9 s ASP 55 N 0.05 5.78 -0.13 3.58 1.11 -0.58 -3.71 116.67 122.77 2di9 s ASP 55 Ca 0.04 -3.39 0.06 0.00 0.18 0.00 0.00 52.55 49.45 2di9 s ASP 55 Cb -0.12 -1.91 0.40 0.00 1.07 0.00 0.00 42.92 42.36 2di9 s ASP 55 CO 0.01 -0.26 1.15 0.35 1.18 0.00 0.00 175.17 177.60 2di9 n THR 56 N 2.79 1.43 -2.03 -1.27 -2.24 -1.19 -3.48 114.28 108.30 2di9 n THR 56 Ca 0.17 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 2di9 n THR 56 Cb 0.38 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 2di9 n THR 56 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2di9 s LYS 57 N -1.84 4.26 0.00 -0.78 1.02 -1.25 -2.69 119.74 118.46 2di9 s LYS 57 Ca 0.27 2.26 0.00 0.00 0.02 0.00 0.00 55.97 58.52 2di9 s LYS 57 Cb 0.21 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2di9 s LYS 57 CO 0.08 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 2di9 n GLY 58 N 3.16 1.89 0.32 -3.33 0.00 -1.26 -4.83 105.19 101.13 2di9 n GLY 58 Ca 0.11 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.94 2di9 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2di9 n ALA 59 N 0.00 0.13 0.00 4.61 0.00 -1.10 -4.77 120.51 119.38 2di9 n ALA 59 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.38 2di9 n ALA 59 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2di9 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2di9 n GLY 60 N -1.51 0.26 3.10 0.00 0.00 -1.26 0.12 105.19 105.90 2di9 n GLY 60 Ca 0.13 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 2di9 n GLY 60 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2di9 s THR 61 N -1.19 0.56 -5.00 2.61 -1.32 -1.23 -4.96 115.64 105.11 2di9 s THR 61 Ca 0.00 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 2di9 s THR 61 Cb 0.00 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2di9 s THR 61 CO 0.00 -0.59 0.00 0.61 -2.21 0.00 0.00 174.62 172.43 2di9 n GLY 62 N 0.87 -0.27 3.16 6.08 0.00 -1.26 -4.07 105.19 109.70 2di9 n GLY 62 Ca -0.19 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 2di9 n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2di9 s GLY 63 N 0.00 1.29 -0.16 -0.02 0.00 -1.26 -4.99 107.32 102.18 2di9 s GLY 63 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 44.72 43.64 2di9 s GLY 63 CO 0.00 -0.03 0.12 -2.27 0.00 0.00 0.00 173.10 170.92 2di9 s LEU 64 N 0.76 4.20 -0.29 0.66 2.96 -1.26 -0.19 118.68 125.52 2di9 s LEU 64 Ca -0.09 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2di9 s LEU 64 Cb -0.16 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.50 2di9 s LEU 64 CO 0.00 0.29 0.05 -0.83 -1.32 0.00 0.00 176.35 174.53 2di9 s GLY 65 N -0.28 1.76 -0.21 7.98 0.00 0.18 -4.99 107.32 111.75 2di9 s GLY 65 Ca 0.11 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.29 2di9 s GLY 65 CO 0.01 0.64 -0.07 -2.27 0.00 0.00 0.00 173.10 171.40 2di9 s LEU 66 N 1.43 2.74 0.01 0.66 2.96 -1.25 -2.66 118.68 122.57 2di9 s LEU 66 Ca 0.01 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2di9 s LEU 66 Cb -0.17 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 2di9 s LEU 66 CO 0.01 -0.01 -0.08 0.42 -1.32 0.00 0.00 176.35 175.36 2di9 s THR 67 N 1.42 0.64 -0.42 3.68 -4.23 -1.08 -4.96 115.64 110.69 2di9 s THR 67 Ca 0.05 -0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.88 2di9 s THR 67 Cb -0.14 -0.58 0.04 0.00 1.34 0.00 0.00 72.50 73.17 2di9 s THR 67 CO -0.05 0.04 0.30 -0.69 -0.54 0.00 0.00 174.62 173.68 2di9 s VAL 68 N -0.49 4.97 -1.18 2.29 1.01 -1.26 -0.67 120.40 125.08 2di9 s VAL 68 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2di9 s VAL 68 Cb -0.05 -3.85 0.23 0.00 0.00 0.00 0.00 36.38 32.71 2di9 s VAL 68 CO 0.00 -0.38 1.82 -0.62 0.00 0.00 0.00 175.10 175.91 2di9 n GLU 69 N 5.10 4.36 -3.00 2.72 -0.58 -0.28 -4.80 120.64 124.16 2di9 n GLU 69 Ca -0.11 -4.05 -0.17 0.00 -0.42 0.00 0.00 57.16 52.41 2di9 n GLU 69 Cb 0.45 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.66 2di9 n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2di9 n GLY 70 N 1.67 2.83 0.04 0.62 0.00 -1.26 -3.80 105.19 105.29 2di9 n GLY 70 Ca 0.40 -2.25 0.08 0.00 0.00 0.00 0.00 46.02 44.25 2di9 n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2di9 n PRO 71 N -1.35 0.06 -3.67 1.61 -0.04 -1.26 -4.64 135.00 125.71 2di9 n PRO 71 Ca -0.01 0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.67 2di9 n PRO 71 Cb 0.41 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 2di9 n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2di9 n GLU 73 N 4.60 1.19 -3.77 0.00 2.13 -1.26 -4.85 120.64 118.68 2di9 n GLU 73 Ca -0.19 0.29 -0.37 0.00 0.66 0.00 0.00 57.16 57.55 2di9 n GLU 73 Cb 0.54 -2.68 -0.06 0.00 0.27 0.00 0.00 31.44 29.52 2di9 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2di9 s ALA 74 N 8.21 3.82 0.51 4.31 0.00 -1.26 -4.94 121.76 132.41 2di9 s ALA 74 Ca 1.08 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 2di9 s ALA 74 Cb -0.70 -2.10 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 2di9 s ALA 74 CO 0.44 0.56 1.28 1.17 0.00 0.00 0.00 175.76 179.20 2di9 n LYS 75 N 2.02 1.70 -3.77 0.00 4.81 -1.24 -4.83 118.16 116.85 2di9 n LYS 75 Ca -0.18 0.62 -0.25 0.00 -0.87 0.00 0.00 58.31 57.62 2di9 n LYS 75 Cb 0.54 -2.46 -0.17 0.00 0.02 0.00 0.00 35.03 32.96 2di9 n LYS 75 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2di9 s ILE 76 N -1.28 0.50 -0.34 3.15 1.01 -1.26 -2.45 121.20 120.52 2di9 s ILE 76 Ca 0.68 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 2di9 s ILE 76 Cb -0.45 -0.80 0.09 0.00 0.01 0.00 0.00 42.46 41.30 2di9 s ILE 76 CO 0.52 0.06 0.07 -1.61 0.00 0.00 0.00 174.94 173.99 2di9 s GLU 77 N 1.90 2.01 -0.16 2.79 2.02 0.15 -4.99 118.70 122.42 2di9 s GLU 77 Ca 0.02 -1.63 -0.06 0.00 0.02 0.00 0.00 54.97 53.32 2di9 s GLU 77 Cb -0.14 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 2di9 s GLU 77 CO -0.07 -0.86 0.04 0.00 0.02 0.00 0.00 175.26 174.39 2di9 s SER 79 N 0.11 1.97 0.81 0.00 0.15 -1.20 -4.98 113.70 110.57 2di9 s SER 79 Ca 0.04 -0.32 -0.13 0.00 0.70 0.00 0.00 55.95 56.24 2di9 s SER 79 Cb -0.12 -0.44 0.09 0.00 -1.71 0.00 0.00 66.02 63.83 2di9 s SER 79 CO 0.01 -0.24 1.19 -1.81 1.20 0.00 0.00 173.24 173.59 2di9 s ASP 80 N 1.97 3.61 -0.26 5.45 1.01 -1.26 -1.54 116.67 125.65 2di9 s ASP 80 Ca 0.03 2.31 -0.14 0.00 0.71 0.00 0.00 52.55 55.46 2di9 s ASP 80 Cb -0.14 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.10 2di9 s ASP 80 CO -0.06 -2.65 -0.35 0.59 0.21 0.00 0.00 175.17 172.91 2di9 n ASN 81 N -3.37 1.92 0.00 0.27 3.02 -0.97 -4.83 115.26 111.31 2di9 n ASN 81 Ca 0.13 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 2di9 n ASN 81 Cb 0.51 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 2di9 n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2di9 n GLY 82 N 1.31 1.48 0.01 7.41 0.00 -1.26 -4.94 105.19 109.21 2di9 n GLY 82 Ca -0.48 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.64 2di9 n GLY 82 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2di9 n ASP 83 N 0.00 0.25 0.00 1.61 -0.08 -1.26 -4.95 116.55 112.12 2di9 n ASP 83 Ca 0.00 -0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 2di9 n ASP 83 Cb 0.00 1.79 0.00 0.00 2.34 0.00 0.00 41.12 45.25 2di9 n ASP 83 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2di9 n GLY 84 N 1.32 0.94 3.29 0.27 0.00 -1.26 -5.02 105.19 104.73 2di9 n GLY 84 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 2di9 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2di9 s THR 85 N -0.94 0.00 -0.01 2.61 -4.23 -1.26 -3.16 115.64 108.65 2di9 s THR 85 Ca 0.00 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.53 2di9 s THR 85 Cb 0.00 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 2di9 s THR 85 CO 0.00 0.00 0.06 0.00 -0.54 0.00 0.00 174.62 174.14 2di9 n SER 87 N 2.31 4.92 -4.67 0.00 3.41 -0.59 -4.02 113.62 114.98 2di9 n SER 87 Ca -0.18 -3.27 -0.42 0.00 -0.26 0.00 0.00 58.87 54.74 2di9 n SER 87 Cb 0.57 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 2di9 n SER 87 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2di9 s VAL 88 N -2.01 4.80 -0.07 -3.33 1.01 -1.26 -3.25 120.40 116.29 2di9 s VAL 88 Ca 0.32 1.85 0.02 0.00 0.00 0.00 0.00 61.98 64.17 2di9 s VAL 88 Cb 0.01 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2di9 s VAL 88 CO -0.03 -0.03 -0.13 -0.94 0.00 0.00 0.00 175.10 173.96 2di9 s SER 89 N 1.16 1.88 0.10 3.32 1.04 -0.42 -3.05 113.70 117.73 2di9 s SER 89 Ca 0.42 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.62 2di9 s SER 89 Cb -0.17 -0.86 -0.03 0.00 0.10 0.00 0.00 66.02 65.06 2di9 s SER 89 CO 0.12 0.05 -0.23 -0.72 0.98 0.00 0.00 173.24 173.44 2di9 s TYR 90 N 0.61 1.97 -0.30 5.02 1.13 -0.04 -0.68 117.35 125.06 2di9 s TYR 90 Ca -0.14 -0.40 0.03 0.00 -1.41 0.00 0.00 57.07 55.14 2di9 s TYR 90 Cb -0.16 -1.10 0.08 0.00 -1.10 0.00 0.00 41.96 39.69 2di9 s TYR 90 CO 0.04 0.22 -0.00 -0.51 -2.51 0.00 0.00 175.55 172.78 2di9 s LEU 91 N -1.78 3.85 0.84 -3.49 1.43 -1.03 -1.60 118.68 116.91 2di9 s LEU 91 Ca 0.09 -1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 51.31 2di9 s LEU 91 Cb -0.10 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 44.75 2di9 s LEU 91 CO 0.04 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.24 2di9 s PRO 92 N 1.09 1.71 -0.12 1.29 0.04 -1.26 -3.62 135.00 134.15 2di9 s PRO 92 Ca 0.03 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.07 2di9 s PRO 92 Cb -0.19 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2di9 s PRO 92 CO -0.09 -1.97 -0.09 0.25 0.04 0.00 0.00 177.00 175.14 2di9 n THR 93 N -3.72 0.67 -4.14 1.26 -2.24 -1.26 -3.05 114.28 101.80 2di9 n THR 93 Ca 0.08 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 2di9 n THR 93 Cb 0.54 -0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 67.75 2di9 n THR 93 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2di9 s LYS 94 N -2.23 0.73 -0.06 -0.78 -2.85 -1.26 -4.68 119.74 108.60 2di9 s LYS 94 Ca -0.15 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 53.61 2di9 s LYS 94 Cb 0.04 -0.63 -0.05 0.00 -2.06 0.00 0.00 37.83 35.14 2di9 s LYS 94 CO 0.28 0.13 1.49 -1.25 0.10 0.00 0.00 175.35 176.10 2di9 s PRO 95 N -1.78 4.22 0.00 1.78 0.04 -1.26 -4.83 135.00 133.17 2di9 s PRO 95 Ca -0.04 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2di9 s PRO 95 Cb -0.09 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.65 2di9 s PRO 95 CO 0.01 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2di9 n GLY 96 N 3.87 1.10 2.66 0.56 0.00 -1.26 -5.01 105.19 107.11 2di9 n GLY 96 Ca 0.15 0.35 -0.21 0.00 0.00 0.00 0.00 46.02 46.31 2di9 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2di9 s GLU 97 N 3.40 -0.05 -0.34 1.61 0.41 -1.26 -2.99 118.70 119.48 2di9 s GLU 97 Ca 0.00 0.29 -0.07 0.00 -0.41 0.00 0.00 54.97 54.78 2di9 s GLU 97 Cb 0.00 -0.76 0.04 0.00 -1.78 0.00 0.00 34.13 31.63 2di9 s GLU 97 CO 0.00 -0.39 0.12 0.71 -0.49 0.00 0.00 175.26 175.20 2di9 s TYR 98 N 2.16 3.25 -0.39 1.61 1.51 -1.20 -4.19 117.35 120.10 2di9 s TYR 98 Ca 0.04 -1.32 -0.21 0.00 -1.01 0.00 0.00 57.07 54.57 2di9 s TYR 98 Cb -0.13 -2.30 0.01 0.00 -0.11 0.00 0.00 41.96 39.43 2di9 s TYR 98 CO -0.04 -0.71 0.67 -0.06 -1.11 0.00 0.00 175.55 174.30 2di9 s PHE 99 N 1.43 3.11 -0.53 2.71 0.40 -1.25 -2.55 117.98 121.30 2di9 s PHE 99 Ca -0.01 0.25 -0.23 0.00 -0.60 0.00 0.00 56.93 56.34 2di9 s PHE 99 Cb -0.19 -3.28 0.04 0.00 0.51 0.00 0.00 43.02 40.10 2di9 s PHE 99 CO 0.03 -0.74 0.86 0.08 0.70 0.00 0.00 175.22 176.15 2di9 s VAL 100 N 2.85 4.52 -0.46 -0.44 1.01 -1.21 -1.13 120.40 125.55 2di9 s VAL 100 Ca 0.25 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 2di9 s VAL 100 Cb -0.14 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.80 2di9 s VAL 100 CO 0.17 -1.00 1.08 0.20 0.00 0.00 0.00 175.10 175.55 2di9 s ASN 101 N 2.74 6.63 -0.32 3.32 0.01 0.16 -2.29 114.94 125.18 2di9 s ASN 101 Ca 0.27 0.44 -0.06 0.00 -0.71 0.00 0.00 52.86 52.81 2di9 s ASN 101 Cb -0.14 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 39.03 2di9 s ASN 101 CO 0.18 -1.17 0.08 -0.63 -1.51 0.00 0.00 177.10 174.05 2di9 s ILE 102 N 4.21 3.65 -0.05 0.60 1.01 -1.26 -2.64 121.20 126.72 2di9 s ILE 102 Ca 0.45 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 60.03 2di9 s ILE 102 Cb -0.08 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.38 2di9 s ILE 102 CO 0.29 -0.10 -0.07 -1.48 0.00 0.00 0.00 174.94 173.58 2di9 s LEU 103 N 1.39 1.45 -0.35 2.97 0.05 -1.09 -1.50 118.68 121.60 2di9 s LEU 103 Ca -0.01 -0.18 -0.12 0.00 0.05 0.00 0.00 54.13 53.87 2di9 s LEU 103 Cb -0.19 -0.55 0.00 0.00 -2.05 0.00 0.00 46.19 43.40 2di9 s LEU 103 CO 0.02 -0.02 0.22 0.12 -0.55 0.00 0.00 176.35 176.13 2di9 s PHE 104 N 0.80 3.22 -1.32 3.48 5.36 0.17 -0.65 117.98 129.04 2di9 s PHE 104 Ca -0.12 -0.52 -0.06 0.00 -0.96 0.00 0.00 56.93 55.26 2di9 s PHE 104 Cb -0.15 -2.46 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 2di9 s PHE 104 CO 0.01 -0.48 1.11 0.39 -1.46 0.00 0.00 175.22 174.80 2di9 n GLU 105 N 5.06 -7.43 -2.07 10.12 -0.58 0.74 -1.83 120.64 124.65 2di9 n GLU 105 Ca -0.13 0.82 -0.08 0.00 -0.42 0.00 0.00 57.16 57.35 2di9 n GLU 105 Cb 0.48 -5.85 -0.01 0.00 -0.57 0.00 0.00 31.44 25.49 2di9 n GLU 105 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2di9 n GLU 106 N -4.72 -0.66 -3.86 3.49 1.02 -1.26 -5.02 120.64 109.62 2di9 n GLU 106 Ca -0.08 0.44 -0.28 0.00 -0.02 0.00 0.00 57.16 57.22 2di9 n GLU 106 Cb 0.59 -4.40 -0.16 0.00 -0.02 0.00 0.00 31.44 27.45 2di9 n GLU 106 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2di9 s VAL 107 N -2.41 1.05 -0.03 2.62 1.01 -0.76 -5.10 120.40 116.77 2di9 s VAL 107 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 2di9 s VAL 107 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 2di9 s VAL 107 CO 0.00 0.02 1.71 -1.00 0.00 0.00 0.00 175.10 175.83 2di9 s HIS 108 N 1.64 1.86 0.61 5.22 3.76 -1.26 0.45 115.29 127.57 2di9 s HIS 108 Ca -0.01 0.07 -0.18 0.00 -0.15 0.00 0.00 55.06 54.80 2di9 s HIS 108 Cb -0.16 -3.98 -0.03 0.00 1.11 0.00 0.00 32.58 29.52 2di9 s HIS 108 CO -0.07 -4.18 1.15 0.96 -0.85 0.00 0.00 174.74 171.76 2di9 s ILE 109 N 4.08 2.94 -1.13 0.60 -4.36 -0.56 -4.88 121.20 117.87 2di9 s ILE 109 Ca 0.76 0.53 -0.23 0.00 -0.26 0.00 0.00 60.65 61.45 2di9 s ILE 109 Cb -0.35 -3.14 -0.08 0.00 1.25 0.00 0.00 42.46 40.14 2di9 s ILE 109 CO 0.32 -0.18 1.93 -2.16 0.24 0.00 0.00 174.94 175.09 2di9 s PRO 110 N -3.58 2.52 0.00 0.37 0.04 -1.26 -2.35 135.00 130.74 2di9 s PRO 110 Ca 0.73 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2di9 s PRO 110 Cb -0.25 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.07 2di9 s PRO 110 CO 0.34 -3.86 0.00 0.41 0.04 0.00 0.00 177.00 173.93 2di9 n GLY 111 N 6.00 0.16 3.87 0.56 0.00 -1.26 -5.02 105.19 109.49 2di9 n GLY 111 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 2di9 n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2di9 s SER 112 N 0.00 5.94 1.06 1.61 1.04 -0.99 -4.22 113.70 118.14 2di9 s SER 112 Ca 0.00 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.31 2di9 s SER 112 Cb 0.00 -1.68 0.22 0.00 0.10 0.00 0.00 66.02 64.66 2di9 s SER 112 CO 0.00 0.05 1.10 -2.16 0.98 0.00 0.00 173.24 173.21 2di9 s PRO 113 N -3.22 -0.08 -0.44 4.02 0.04 -1.26 -4.84 135.00 129.21 2di9 s PRO 113 Ca 0.33 0.35 0.03 0.00 0.04 0.00 0.00 61.00 61.74 2di9 s PRO 113 Cb -0.10 -1.69 0.12 0.00 0.04 0.00 0.00 34.50 32.86 2di9 s PRO 113 CO 0.26 -3.04 0.18 -0.06 0.04 0.00 0.00 177.00 174.38 2di9 s PHE 114 N -2.97 3.49 -0.01 0.56 0.40 -0.97 -4.85 117.98 113.62 2di9 s PHE 114 Ca 0.67 -3.01 -0.30 0.00 -0.60 0.00 0.00 56.93 53.69 2di9 s PHE 114 Cb -0.16 -2.93 -0.07 0.00 0.51 0.00 0.00 43.02 40.37 2di9 s PHE 114 CO 0.57 -0.86 1.74 0.21 0.70 0.00 0.00 175.22 177.59 2di9 s LYS 115 N 0.35 4.17 -0.23 0.44 2.36 -1.26 -3.29 119.74 122.29 2di9 s LYS 115 Ca 0.14 2.33 -0.03 0.00 -2.55 0.00 0.00 55.97 55.85 2di9 s LYS 115 Cb -0.22 -3.99 -0.00 0.00 -1.05 0.00 0.00 37.83 32.56 2di9 s LYS 115 CO -0.04 -0.87 -0.05 0.00 1.55 0.00 0.00 175.35 175.95 2di9 s ALA 116 N 4.01 2.78 -0.36 3.13 0.00 -1.06 -4.73 121.76 125.53 2di9 s ALA 116 Ca 0.78 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 2di9 s ALA 116 Cb -0.37 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2di9 s ALA 116 CO 0.33 -0.50 1.23 0.16 0.00 0.00 0.00 175.76 176.99 2di9 s ASP 117 N 1.45 6.67 -0.04 0.00 1.47 -0.65 -3.24 116.67 122.34 2di9 s ASP 117 Ca 0.05 0.97 -0.04 0.00 1.18 0.00 0.00 52.55 54.70 2di9 s ASP 117 Cb -0.15 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 39.85 2di9 s ASP 117 CO -0.04 -1.12 0.18 -0.63 0.68 0.00 0.00 175.17 174.24 2di9 s ILE 118 N 4.39 5.45 0.26 2.11 -1.09 -1.16 -3.02 121.20 128.14 2di9 s ILE 118 Ca 0.53 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.94 2di9 s ILE 118 Cb -0.13 -3.51 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 2di9 s ILE 118 CO 0.24 0.40 0.01 -1.61 -1.23 0.00 0.00 174.94 172.76 2di9 s GLU 119 N -1.70 1.45 0.01 2.79 2.02 -1.04 -4.03 118.70 118.20 2di9 s GLU 119 Ca 0.24 -1.76 -0.27 0.00 0.02 0.00 0.00 54.97 53.21 2di9 s GLU 119 Cb -0.13 -0.71 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 2di9 s GLU 119 CO 0.15 -0.12 0.83 -1.64 0.02 0.00 0.00 175.26 174.50 2di9 s MET 120 N -3.87 4.52 0.46 1.61 -1.94 -1.26 -2.08 119.30 116.74 2di9 s MET 120 Ca 0.31 1.16 -0.23 0.00 -1.71 0.00 0.00 55.69 55.23 2di9 s MET 120 Cb 0.06 -3.41 -0.07 0.00 2.01 0.00 0.00 34.83 33.42 2di9 s MET 120 CO 0.11 0.12 1.16 -1.25 -0.01 0.00 0.00 175.02 175.16 2di9 s PRO 121 N 0.47 3.75 0.02 2.03 0.04 -1.26 -4.96 135.00 135.09 2di9 s PRO 121 Ca 0.43 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 2di9 s PRO 121 Cb -0.20 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 2di9 s PRO 121 CO 0.24 -0.55 1.04 -0.59 0.04 0.00 0.00 177.00 177.18 2di9 s PHE 122 N -1.55 3.60 0.47 0.56 -0.71 -1.26 -4.99 117.98 114.10 2di9 s PHE 122 Ca 0.64 1.59 -0.23 0.00 -1.04 0.00 0.00 56.93 57.89 2di9 s PHE 122 Cb -0.28 -3.21 -0.09 0.00 -1.21 0.00 0.00 43.02 38.23 2di9 s PHE 122 CO 0.35 -0.37 1.02 -0.40 -1.34 0.00 0.00 175.22 174.47 2di9 n ASP 123 N 3.89 1.23 -4.77 1.98 5.75 -1.26 -4.94 116.55 118.43 2di9 n ASP 123 Ca 0.07 0.97 -0.35 0.00 -0.01 0.00 0.00 54.79 55.47 2di9 n ASP 123 Cb 0.50 -1.38 0.01 0.00 -1.03 0.00 0.00 41.12 39.22 2di9 n ASP 123 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2di9 s PRO 124 N -2.24 3.26 -0.08 0.11 0.04 -1.26 -5.04 135.00 129.79 2di9 s PRO 124 Ca 0.66 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 63.24 2di9 s PRO 124 Cb -0.51 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 2di9 s PRO 124 CO 0.54 -0.92 0.07 -1.54 0.04 0.00 0.00 177.00 175.20 2di9 s SER 125 N -1.91 5.78 1.29 6.66 1.04 -1.26 -5.11 113.70 120.19 2di9 s SER 125 Ca 0.72 0.27 -0.21 0.00 0.48 0.00 0.00 55.95 57.21 2di9 s SER 125 Cb -0.23 -1.74 0.32 0.00 0.10 0.00 0.00 66.02 64.47 2di9 s SER 125 CO 0.29 0.36 1.05 -0.94 0.98 0.00 0.00 173.24 174.99 2di9 s SER 126 N -1.15 0.15 0.01 7.02 1.04 -1.26 -5.07 113.70 114.44 2di9 s SER 126 Ca 0.16 0.68 0.04 0.00 0.48 0.00 0.00 55.95 57.31 2di9 s SER 126 Cb -0.12 -0.94 -0.01 0.00 0.10 0.00 0.00 66.02 65.05 2di9 s SER 126 CO 0.06 -4.60 -0.12 -0.83 0.98 0.00 0.00 173.24 168.73 2di9 s GLY 127 N -3.66 0.61 0.52 7.32 0.00 -1.26 -5.03 107.32 105.82 2di9 s GLY 127 Ca 0.70 -0.58 0.30 0.00 0.00 0.00 0.00 44.72 45.14 2di9 s GLY 127 CO 0.57 -0.52 1.96 -0.56 0.00 0.00 0.00 173.10 174.54 2di9 h PRO 128 N 5.58 0.00 -0.53 2.90 0.13 -2.09 -3.30 132.00 134.69 2di9 h PRO 128 Ca -0.34 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2di9 h PRO 128 Cb 1.17 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 2di9 h PRO 128 CO 0.48 0.08 -0.47 1.03 -0.23 0.00 0.00 178.00 178.89 2di9 h SER 129 N 0.00 -1.64 -6.33 1.44 0.87 -2.05 -3.44 113.55 102.40 2di9 h SER 129 Ca -0.00 0.23 -0.47 0.00 -1.23 0.00 0.00 61.79 60.32 2di9 h SER 129 Cb 0.55 0.70 -0.04 0.00 -0.44 0.00 0.00 62.40 63.17 2di9 h SER 129 CO 0.01 -0.28 -0.81 -0.24 -0.53 0.00 0.00 176.83 174.98 2di9 n SER 130 N -4.88 -2.78 0.00 6.23 2.88 -1.24 -5.34 113.62 108.48 2di9 n SER 130 Ca -0.01 -0.86 0.13 0.00 -1.33 0.00 0.00 58.87 56.79 2di9 n SER 130 Cb 0.25 -3.65 0.74 0.00 -0.75 0.00 0.00 64.21 60.81 2di9 n SER 130 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42