#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3c n PRO 7 N 0.00 1.36 -1.84 1.20 -0.04 -1.26 -4.93 135.00 129.49 1i3c n PRO 7 Ca 0.00 0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 63.56 1i3c n PRO 7 Cb 0.00 -2.34 -0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1i3c n PRO 7 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1i3c s PRO 8 N -2.69 4.11 0.23 0.54 0.02 -1.26 -4.95 135.00 131.00 1i3c s PRO 8 Ca 0.72 2.52 -0.30 0.00 0.02 0.00 0.00 61.00 63.96 1i3c s PRO 8 Cb -0.44 -2.96 -0.09 0.00 0.02 0.00 0.00 34.50 31.03 1i3c s PRO 8 CO 0.50 -0.51 1.14 0.15 -0.33 0.00 0.00 177.00 177.94 1i3c s LYS 9 N -2.09 4.57 -0.23 5.54 -0.14 -0.65 -4.83 119.74 121.92 1i3c s LYS 9 Ca 0.53 1.83 -0.09 0.00 -1.36 0.00 0.00 55.97 56.88 1i3c s LYS 9 Cb -0.45 -3.22 -0.04 0.00 -1.68 0.00 0.00 37.83 32.44 1i3c s LYS 9 CO 0.61 0.08 0.11 0.08 -0.76 0.00 0.00 175.35 175.47 1i3c s VAL 10 N -0.66 4.81 -0.16 3.17 1.01 -1.26 -1.08 120.40 126.23 1i3c s VAL 10 Ca 0.48 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1i3c s VAL 10 Cb -0.32 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1i3c s VAL 10 CO 0.39 0.36 -0.16 -0.63 0.00 0.00 0.00 175.10 175.06 1i3c s ILE 11 N 1.19 2.55 -0.18 2.22 1.01 -0.41 0.20 121.20 127.77 1i3c s ILE 11 Ca 0.06 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 1i3c s ILE 11 Cb -0.14 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1i3c s ILE 11 CO 0.04 0.52 0.01 -0.22 0.00 0.00 0.00 174.94 175.30 1i3c s LEU 12 N 0.86 3.46 -0.18 2.97 2.96 -0.39 -0.76 118.68 127.59 1i3c s LEU 12 Ca -0.05 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1i3c s LEU 12 Cb -0.15 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1i3c s LEU 12 CO -0.01 0.13 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.78 1i3c s LEU 13 N 0.61 2.40 -0.42 -0.68 2.96 0.66 -0.15 118.68 124.05 1i3c s LEU 13 Ca 0.00 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 1i3c s LEU 13 Cb -0.14 -1.56 0.10 0.00 0.50 0.00 0.00 46.19 45.10 1i3c s LEU 13 CO 0.02 0.02 0.25 -0.69 -1.32 0.00 0.00 176.35 174.62 1i3c s VAL 14 N 1.21 3.73 -0.21 1.68 1.01 -0.31 -0.44 120.40 127.06 1i3c s VAL 14 Ca 0.02 -1.81 -0.10 0.00 0.00 0.00 0.00 61.98 60.09 1i3c s VAL 14 Cb -0.14 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1i3c s VAL 14 CO -0.07 -0.65 0.49 -0.70 0.00 0.00 0.00 175.10 174.17 1i3c s GLU 15 N 1.27 0.44 0.21 2.72 2.56 -0.34 -2.06 118.70 123.51 1i3c s GLU 15 Ca 0.06 1.02 0.21 0.00 0.00 0.00 0.00 54.97 56.25 1i3c s GLU 15 Cb -0.24 0.22 0.02 0.00 2.00 0.00 0.00 34.13 36.14 1i3c s GLU 15 CO -0.02 -0.19 1.11 0.38 -0.56 0.00 0.00 175.26 175.98 1i3c h ASP 16 N 7.54 0.00 -3.03 -1.70 2.03 -1.79 -3.39 116.42 116.08 1i3c h ASP 16 Ca -0.27 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.46 1i3c h ASP 16 Cb 1.16 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.62 1i3c h ASP 16 CO 0.19 0.17 1.15 -0.55 -1.03 0.00 0.00 179.24 179.17 1i3c s SER 17 N -5.66 6.18 0.22 4.15 0.15 -1.26 -4.90 113.70 112.58 1i3c s SER 17 Ca 0.00 1.05 -0.08 0.00 0.70 0.00 0.00 55.95 57.63 1i3c s SER 17 Cb 0.09 -2.53 0.27 0.00 -1.71 0.00 0.00 66.02 62.13 1i3c s SER 17 CO 0.77 -1.52 1.84 0.50 1.20 0.00 0.00 173.24 176.04 1i3c h LYS 18 N 11.49 0.87 -0.66 5.44 1.63 -1.99 -1.45 116.57 131.90 1i3c h LYS 18 Ca -0.30 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.45 1i3c h LYS 18 Cb 1.13 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.53 1i3c h LYS 18 CO 1.06 0.58 0.44 0.00 -3.45 0.00 0.00 179.45 178.07 1i3c h ALA 19 N 1.36 0.83 -0.31 5.00 0.00 -1.99 -0.56 119.26 123.59 1i3c h ALA 19 Ca 0.33 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1i3c h ALA 19 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1i3c h ALA 19 CO -0.15 0.26 -0.36 -0.44 0.00 0.00 0.00 179.25 178.57 1i3c h ASP 20 N 0.89 0.84 -0.22 0.00 3.32 -1.88 -2.33 116.42 117.05 1i3c h ASP 20 Ca 0.24 -0.49 -0.12 0.00 0.02 0.00 0.00 57.03 56.68 1i3c h ASP 20 Cb -0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1i3c h ASP 20 CO -0.05 1.16 -0.29 0.77 -1.72 0.00 0.00 179.24 179.11 1i3c h SER 21 N 0.55 0.74 -0.31 6.45 4.64 -1.11 -1.82 113.55 122.68 1i3c h SER 21 Ca 0.04 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1i3c h SER 21 Cb 0.94 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1i3c h SER 21 CO 0.09 0.98 -0.04 0.03 -0.87 0.00 0.00 176.83 177.02 1i3c h ARG 22 N 0.61 0.68 -0.49 4.77 3.08 -1.10 -1.22 114.38 120.72 1i3c h ARG 22 Ca 0.07 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1i3c h ARG 22 Cb 0.80 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1i3c h ARG 22 CO 0.07 0.72 0.11 1.25 -1.07 0.00 0.00 179.97 181.05 1i3c h LEU 23 N 0.64 0.76 -0.52 3.04 6.46 -1.05 -1.11 115.31 123.53 1i3c h LEU 23 Ca 0.12 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1i3c h LEU 23 Cb 0.45 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1i3c h LEU 23 CO 0.02 0.80 0.28 0.58 -0.62 0.00 0.00 178.44 179.50 1i3c h VAL 24 N 0.68 1.18 -0.62 1.05 2.07 -0.90 -1.76 116.25 117.94 1i3c h VAL 24 Ca 0.15 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1i3c h VAL 24 Cb 0.34 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1i3c h VAL 24 CO 0.00 0.19 0.34 1.56 0.02 0.00 0.00 177.57 179.68 1i3c h GLN 25 N 0.69 0.62 -0.27 1.57 4.20 -0.96 0.94 115.11 121.89 1i3c h GLN 25 Ca 0.18 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1i3c h GLN 25 Cb 0.05 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1i3c h GLN 25 CO -0.03 0.41 0.10 1.49 -0.67 0.00 0.00 178.83 180.13 1i3c h GLU 26 N 0.63 0.23 0.01 1.46 4.81 -0.70 -0.68 114.58 120.34 1i3c h GLU 26 Ca 0.28 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1i3c h GLU 26 Cb 0.17 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1i3c h GLU 26 CO -0.17 0.15 -0.00 0.28 -0.73 0.00 0.00 179.01 178.53 1i3c h VAL 27 N 0.23 1.30 0.00 0.32 2.07 -0.80 -3.00 116.25 116.37 1i3c h VAL 27 Ca 0.12 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1i3c h VAL 27 Cb 0.08 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1i3c h VAL 27 CO -0.11 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 1i3c h LEU 28 N -0.39 0.00 -0.56 2.57 4.07 -0.76 -1.08 115.31 119.17 1i3c h LEU 28 Ca -0.00 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.81 1i3c h LEU 28 Cb 0.39 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 1i3c h LEU 28 CO 0.00 0.00 -0.71 0.50 -1.08 0.00 0.00 178.44 177.15 1i3c h LYS 29 N 0.00 0.05 0.00 1.13 3.64 -0.97 -3.00 116.57 117.43 1i3c h LYS 29 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1i3c h LYS 29 Cb 0.13 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1i3c h LYS 29 CO 0.00 0.74 0.00 0.25 -2.27 0.00 0.00 179.45 178.17 1i3c n THR 30 N -3.72 0.41 -1.81 1.00 -2.24 -0.41 -4.87 114.28 102.64 1i3c n THR 30 Ca -0.01 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.34 1i3c n THR 30 Cb 0.70 -0.65 0.05 0.00 -2.10 0.00 0.00 70.33 68.32 1i3c n THR 30 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i3c s SER 31 N -3.67 5.13 0.00 3.42 0.15 -1.13 -4.91 113.70 112.67 1i3c s SER 31 Ca 0.11 2.69 0.19 0.00 0.70 0.00 0.00 55.95 59.64 1i3c s SER 31 Cb 0.15 -2.63 0.23 0.00 -1.71 0.00 0.00 66.02 62.06 1i3c s SER 31 CO 0.51 -1.66 1.18 0.35 1.20 0.00 0.00 173.24 174.82 1i3c n THR 32 N -1.27 0.21 -3.03 6.45 -2.24 -1.26 -4.90 114.28 108.24 1i3c n THR 32 Ca 0.12 -0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 1i3c n THR 32 Cb 0.46 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.86 1i3c n THR 32 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1i3c s ILE 33 N -1.49 4.96 0.08 2.28 -1.09 -1.26 -5.00 121.20 119.68 1i3c s ILE 33 Ca 0.26 1.35 -0.30 0.00 -2.23 0.00 0.00 60.65 59.73 1i3c s ILE 33 Cb 0.17 -4.02 -0.10 0.00 -1.58 0.00 0.00 42.46 36.94 1i3c s ILE 33 CO 0.25 0.06 1.91 -0.62 -1.23 0.00 0.00 174.94 175.31 1i3c s ASP 34 N 1.22 6.43 0.26 3.58 2.15 -1.26 -4.92 116.67 124.12 1i3c s ASP 34 Ca 0.32 2.72 -0.21 0.00 0.43 0.00 0.00 52.55 55.81 1i3c s ASP 34 Cb -0.16 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 39.97 1i3c s ASP 34 CO 0.10 -1.04 0.87 -1.38 -0.17 0.00 0.00 175.17 173.56 1i3c s HIS 35 N 3.69 -0.03 -0.04 -5.34 -3.43 -1.26 -1.64 115.29 107.24 1i3c s HIS 35 Ca 0.85 -0.43 0.01 0.00 -0.80 0.00 0.00 55.06 54.69 1i3c s HIS 35 Cb -0.44 0.73 0.02 0.00 -1.43 0.00 0.00 32.58 31.45 1i3c s HIS 35 CO 0.39 -1.15 -0.06 -2.00 -2.00 0.00 0.00 174.74 169.92 1i3c s GLU 36 N -2.93 0.89 -0.24 -0.38 2.12 -0.24 -4.87 118.70 113.05 1i3c s GLU 36 Ca 0.15 -0.16 -0.07 0.00 0.36 0.00 0.00 54.97 55.25 1i3c s GLU 36 Cb -0.04 -0.86 -0.03 0.00 0.26 0.00 0.00 34.13 33.46 1i3c s GLU 36 CO 0.07 -0.04 0.06 -1.17 -0.54 0.00 0.00 175.26 173.64 1i3c s LEU 37 N 0.74 3.49 -0.18 2.70 2.96 -1.26 -1.29 118.68 125.84 1i3c s LEU 37 Ca -0.11 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1i3c s LEU 37 Cb -0.13 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1i3c s LEU 37 CO 0.01 0.01 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.39 1i3c s ILE 38 N 1.38 3.91 -0.22 6.68 1.01 0.06 -5.00 121.20 129.02 1i3c s ILE 38 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1i3c s ILE 38 Cb -0.15 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 1i3c s ILE 38 CO 0.03 0.46 -0.06 -0.63 0.00 0.00 0.00 174.94 174.74 1i3c s ILE 39 N 0.72 3.25 0.03 2.92 1.01 -1.26 -0.25 121.20 127.62 1i3c s ILE 39 Ca -0.01 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1i3c s ILE 39 Cb -0.14 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1i3c s ILE 39 CO 0.02 0.44 -0.14 -0.76 0.00 0.00 0.00 174.94 174.50 1i3c s LEU 40 N 1.44 2.83 0.00 2.97 1.43 0.41 -4.99 118.68 122.78 1i3c s LEU 40 Ca 0.05 -0.32 0.22 0.00 -1.03 0.00 0.00 54.13 53.05 1i3c s LEU 40 Cb -0.14 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1i3c s LEU 40 CO -0.04 0.26 1.04 0.54 0.23 0.00 0.00 176.35 178.38 1i3c n ARG 41 N 1.51 0.58 -3.87 1.70 5.12 -1.26 -1.19 116.66 119.25 1i3c n ARG 41 Ca -0.16 -0.47 -0.10 0.00 -1.93 0.00 0.00 57.85 55.19 1i3c n ARG 41 Cb 0.52 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 1i3c n ARG 41 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1i3c s ASP 42 N -2.74 -0.08 0.40 0.55 1.47 -1.26 -3.86 116.67 111.15 1i3c s ASP 42 Ca 0.14 -0.70 0.06 0.00 1.18 0.00 0.00 52.55 53.23 1i3c s ASP 42 Cb 0.17 0.49 0.82 0.00 -0.34 0.00 0.00 42.92 44.06 1i3c s ASP 42 CO 0.71 -0.95 2.05 1.23 0.68 0.00 0.00 175.17 178.90 1i3c h GLY 43 N 2.42 0.64 1.28 2.12 0.00 -1.51 -2.21 103.07 105.80 1i3c h GLY 43 Ca -0.31 -0.24 -0.21 0.00 0.00 0.00 0.00 47.33 46.58 1i3c h GLY 43 CO 0.44 0.23 -0.74 1.41 0.00 0.00 0.00 176.54 177.88 1i3c h LEU 44 N 0.61 0.84 -1.27 3.11 3.38 -1.82 -3.05 115.31 117.11 1i3c h LEU 44 Ca 0.17 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1i3c h LEU 44 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1i3c h LEU 44 CO -0.04 1.32 0.09 0.00 0.09 0.00 0.00 178.44 179.91 1i3c h ALA 45 N 0.66 1.42 0.00 1.53 0.00 -1.86 -0.53 119.26 120.48 1i3c h ALA 45 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1i3c h ALA 45 Cb 1.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i3c h ALA 45 CO 0.15 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1i3c n ALA 46 N -2.47 1.49 0.00 0.00 0.00 -0.87 -1.55 120.51 117.11 1i3c n ALA 46 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1i3c n ALA 46 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1i3c n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i3c n ALA 48 N 0.43 0.00 -0.05 0.00 0.00 -0.21 -1.79 120.51 118.89 1i3c n ALA 48 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1i3c n ALA 48 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 1i3c n ALA 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1i3c h PHE 49 N 0.00 0.31 -0.15 0.00 3.57 -1.54 -0.30 116.94 118.84 1i3c h PHE 49 Ca 0.00 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 1i3c h PHE 49 Cb 0.00 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1i3c h PHE 49 CO 0.00 0.52 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.36 1i3c h LEU 50 N 0.02 0.24 -1.03 0.59 3.38 -1.62 -1.77 115.31 115.11 1i3c h LEU 50 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i3c h LEU 50 Cb 0.40 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1i3c h LEU 50 CO 0.01 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.96 1i3c n GLN 51 N -4.24 1.70 -3.57 1.13 6.02 -1.18 -4.96 117.38 112.27 1i3c n GLN 51 Ca -0.01 -1.03 -0.21 0.00 -0.01 0.00 0.00 57.00 55.74 1i3c n GLN 51 Cb 0.30 -1.44 0.05 0.00 1.02 0.00 0.00 30.24 30.16 1i3c n GLN 51 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1i3c n GLN 52 N 0.24 -3.84 -3.74 -1.09 6.02 -0.65 -5.01 117.38 109.31 1i3c n GLN 52 Ca 0.18 0.67 -0.23 0.00 -0.01 0.00 0.00 57.00 57.60 1i3c n GLN 52 Cb 0.35 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.38 1i3c n GLN 52 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1i3c s GLN 53 N -5.56 2.38 4.25 -1.09 -0.21 -0.21 -3.67 119.66 115.54 1i3c s GLN 53 Ca 0.19 -1.76 0.00 0.00 0.02 0.00 0.00 55.36 53.81 1i3c s GLN 53 Cb -0.05 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 31.74 1i3c s GLN 53 CO 0.80 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 174.02 1i3c n GLY 54 N -1.60 2.59 0.05 3.09 0.00 -1.26 -0.65 105.19 107.41 1i3c n GLY 54 Ca 0.02 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.85 1i3c n GLY 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i3c n GLU 55 N 14.00 0.08 -0.12 1.61 0.28 -1.26 -2.54 120.64 132.69 1i3c n GLU 55 Ca 0.00 0.34 0.04 0.00 -0.16 0.00 0.00 57.16 57.37 1i3c n GLU 55 Cb 0.00 -1.66 0.10 0.00 1.43 0.00 0.00 31.44 31.31 1i3c n GLU 55 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1i3c n TYR 56 N -1.81 0.31 -1.81 -1.84 0.53 0.18 -4.85 117.16 107.88 1i3c n TYR 56 Ca 0.03 -0.15 -0.41 0.00 -1.02 0.00 0.00 57.90 56.34 1i3c n TYR 56 Cb 0.18 -0.01 -0.01 0.00 -1.03 0.00 0.00 39.34 38.47 1i3c n TYR 56 CO 0.00 0.00 0.00 -2.00 -1.02 0.00 0.00 176.86 173.84 1i3c s GLU 57 N -1.69 4.13 -0.41 -0.72 2.12 -1.05 -1.31 118.70 119.76 1i3c s GLU 57 Ca 0.15 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.03 1i3c s GLU 57 Cb 0.08 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1i3c s GLU 57 CO 0.10 -0.56 0.00 0.09 -0.54 0.00 0.00 175.26 174.35 1i3c n ASN 58 N 1.26 -5.44 -4.67 -1.70 5.03 -1.26 -4.96 115.26 103.52 1i3c n ASN 58 Ca 0.04 0.09 -0.43 0.00 0.87 0.00 0.00 54.58 55.16 1i3c n ASN 58 Cb 0.39 -3.28 -0.02 0.00 -1.02 0.00 0.00 39.78 35.84 1i3c n ASN 58 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1i3c s SER 59 N -2.18 7.04 0.29 6.41 0.01 -0.43 -4.97 113.70 119.87 1i3c s SER 59 Ca 0.00 1.62 -0.29 0.00 1.31 0.00 0.00 55.95 58.59 1i3c s SER 59 Cb 0.00 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.55 1i3c s SER 59 CO 0.00 -0.67 1.21 -2.65 0.41 0.00 0.00 173.24 171.54 1i3c n PRO 60 N 6.09 1.78 -2.00 12.44 -0.02 -1.26 -4.91 135.00 147.12 1i3c n PRO 60 Ca 0.12 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.87 1i3c n PRO 60 Cb 0.46 -2.14 0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1i3c n PRO 60 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1i3c s ARG 61 N -1.41 2.95 0.65 -0.52 3.00 -1.26 -4.98 118.95 117.39 1i3c s ARG 61 Ca 0.60 1.81 -0.14 0.00 0.00 0.00 0.00 55.73 58.00 1i3c s ARG 61 Cb -0.65 -1.93 -0.01 0.00 0.00 0.00 0.00 34.95 32.37 1i3c s ARG 61 CO 0.59 -1.22 1.08 -1.25 0.00 0.00 0.00 175.30 174.50 1i3c s PRO 62 N -3.37 2.97 -0.01 3.54 0.04 -1.26 -4.76 135.00 132.16 1i3c s PRO 62 Ca 0.77 1.20 0.21 0.00 0.04 0.00 0.00 61.00 63.22 1i3c s PRO 62 Cb -0.30 -1.99 -0.25 0.00 0.04 0.00 0.00 34.50 32.00 1i3c s PRO 62 CO 0.33 -1.09 0.79 0.09 0.04 0.00 0.00 177.00 177.17 1i3c n ASN 63 N -2.54 0.77 -3.68 6.66 4.13 0.13 -4.68 115.26 116.05 1i3c n ASN 63 Ca 0.09 -0.76 -0.11 0.00 1.68 0.00 0.00 54.58 55.48 1i3c n ASN 63 Cb 0.53 1.23 -0.09 0.00 -1.54 0.00 0.00 39.78 39.91 1i3c n ASN 63 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1i3c s LEU 64 N -3.34 -0.25 -0.10 3.41 2.96 -1.05 -4.23 118.68 116.08 1i3c s LEU 64 Ca 0.04 1.10 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 1i3c s LEU 64 Cb 0.15 1.77 0.01 0.00 0.50 0.00 0.00 46.19 48.62 1i3c s LEU 64 CO 0.87 -0.20 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.86 1i3c s ILE 65 N 0.98 1.86 -0.24 6.68 1.01 -0.05 -1.27 121.20 130.17 1i3c s ILE 65 Ca -0.06 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 1i3c s ILE 65 Cb -0.06 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1i3c s ILE 65 CO -0.09 0.51 0.02 -0.76 0.00 0.00 0.00 174.94 174.62 1i3c s LEU 66 N 0.53 3.23 -0.08 2.97 1.43 0.78 0.14 118.68 127.68 1i3c s LEU 66 Ca -0.15 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1i3c s LEU 66 Cb -0.17 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1i3c s LEU 66 CO 0.05 -0.05 -0.11 -0.22 0.23 0.00 0.00 176.35 176.26 1i3c s LEU 67 N 1.53 1.51 -0.08 1.79 2.96 -0.30 -1.16 118.68 124.93 1i3c s LEU 67 Ca 0.06 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.47 1i3c s LEU 67 Cb -0.15 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1i3c s LEU 67 CO 0.00 -0.01 0.56 -0.62 -1.32 0.00 0.00 176.35 174.95 1i3c s ASP 68 N 0.98 6.82 0.43 3.68 -1.08 -0.88 -1.21 116.67 125.42 1i3c s ASP 68 Ca -0.09 0.98 0.23 0.00 -0.52 0.00 0.00 52.55 53.15 1i3c s ASP 68 Cb -0.15 -2.33 0.89 0.00 -1.46 0.00 0.00 42.92 39.87 1i3c s ASP 68 CO -0.00 -0.01 1.82 -0.07 0.52 0.00 0.00 175.17 177.43 1i3c h LEU 69 N 6.51 0.00 -8.43 -1.34 3.38 -1.88 -3.41 115.31 110.14 1i3c h LEU 69 Ca -0.42 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.84 1i3c h LEU 69 Cb 1.19 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 1i3c h LEU 69 CO 0.74 0.26 -0.28 0.20 0.09 0.00 0.00 178.44 179.45 1i3c s ASN 70 N -6.26 6.16 0.03 -0.43 0.01 -1.26 -1.29 114.94 111.89 1i3c s ASN 70 Ca 0.00 -0.98 -0.06 0.00 -0.71 0.00 0.00 52.86 51.12 1i3c s ASN 70 Cb 0.11 -2.20 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 1i3c s ASN 70 CO 0.65 -0.60 0.10 -0.76 -1.51 0.00 0.00 177.10 174.97 1i3c s LEU 71 N 1.91 1.76 0.66 0.60 1.43 -1.26 -4.79 118.68 118.99 1i3c s LEU 71 Ca 0.08 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.66 1i3c s LEU 71 Cb -0.20 0.60 0.04 0.00 0.03 0.00 0.00 46.19 46.66 1i3c s LEU 71 CO 0.10 -0.47 0.98 -2.16 0.23 0.00 0.00 176.35 175.03 1i3c s PRO 72 N -2.26 2.50 0.00 1.29 0.04 -1.26 -4.29 135.00 131.01 1i3c s PRO 72 Ca -0.08 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1i3c s PRO 72 Cb -0.03 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1i3c s PRO 72 CO -0.03 -1.03 0.00 1.63 0.04 0.00 0.00 177.00 177.61 1i3c n LYS 73 N -2.80 0.00 -3.67 4.56 4.76 -1.26 -2.33 118.16 117.42 1i3c n LYS 73 Ca 0.07 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.43 1i3c n LYS 73 Cb 0.59 -0.03 -0.09 0.00 -1.84 0.00 0.00 35.03 33.67 1i3c n LYS 73 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1i3c s LYS 74 N 0.00 0.46 0.15 1.97 2.20 -1.26 -4.72 119.74 118.54 1i3c s LYS 74 Ca 0.00 1.04 -0.34 0.00 -0.36 0.00 0.00 55.97 56.31 1i3c s LYS 74 Cb 0.00 0.24 -0.15 0.00 -1.51 0.00 0.00 37.83 36.41 1i3c s LYS 74 CO 0.00 -0.19 1.43 -3.47 -0.36 0.00 0.00 175.35 172.76 1i3c n ASP 75 N 4.77 2.37 0.26 1.43 -0.08 -1.26 -3.54 116.55 120.49 1i3c n ASP 75 Ca -0.17 1.11 0.09 0.00 -1.51 0.00 0.00 54.79 54.32 1i3c n ASP 75 Cb 0.53 -1.32 0.69 0.00 2.34 0.00 0.00 41.12 43.36 1i3c n ASP 75 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1i3c h GLY 76 N 4.94 0.00 1.74 0.27 0.00 -1.41 0.32 103.07 108.93 1i3c h GLY 76 Ca -0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1i3c h GLY 76 CO 0.81 0.00 -0.30 3.21 0.00 0.00 0.00 176.54 180.26 1i3c h ARG 77 N 0.00 0.30 -0.09 4.80 3.08 -1.87 0.11 114.38 120.71 1i3c h ARG 77 Ca -0.00 -0.12 -0.19 0.00 0.07 0.00 0.00 59.98 59.74 1i3c h ARG 77 Cb 0.07 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1i3c h ARG 77 CO 0.00 0.58 -0.69 0.93 -1.07 0.00 0.00 179.97 179.72 1i3c h GLU 78 N 0.27 0.63 -0.21 0.04 5.08 -1.34 -2.40 114.58 116.66 1i3c h GLU 78 Ca 0.04 -0.56 0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1i3c h GLU 78 Cb 0.67 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1i3c h GLU 78 CO 0.05 1.17 -0.00 0.28 -1.00 0.00 0.00 179.01 179.51 1i3c h VAL 79 N 0.28 0.85 -0.52 3.13 2.07 -0.92 0.26 116.25 121.40 1i3c h VAL 79 Ca -0.06 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1i3c h VAL 79 Cb 1.34 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1i3c h VAL 79 CO 0.14 0.01 0.20 0.25 0.02 0.00 0.00 177.57 178.19 1i3c h LEU 80 N 0.06 0.23 -0.66 2.57 5.85 -1.00 -0.48 115.31 121.89 1i3c h LEU 80 Ca 0.10 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1i3c h LEU 80 Cb 0.13 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1i3c h LEU 80 CO -0.17 0.16 0.29 0.00 -0.34 0.00 0.00 178.44 178.37 1i3c h ALA 81 N 1.33 0.85 -0.56 1.25 0.00 -0.82 -2.22 119.26 119.09 1i3c h ALA 81 Ca 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1i3c h ALA 81 Cb 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1i3c h ALA 81 CO -0.23 0.44 0.37 0.93 0.00 0.00 0.00 179.25 180.75 1i3c h GLU 82 N 0.91 0.72 0.24 0.00 4.39 0.21 -2.58 114.58 118.47 1i3c h GLU 82 Ca 0.22 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1i3c h GLU 82 Cb 0.16 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1i3c h GLU 82 CO -0.02 0.48 -0.11 0.82 -1.16 0.00 0.00 179.01 179.01 1i3c h ILE 83 N 0.75 0.83 0.00 3.13 2.04 -0.93 -2.94 117.51 120.38 1i3c h ILE 83 Ca 0.21 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1i3c h ILE 83 Cb -0.07 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1i3c h ILE 83 CO -0.05 0.11 0.00 0.29 0.00 0.00 0.00 178.15 178.50 1i3c n LYS 84 N -5.12 0.05 -0.00 2.37 4.76 -0.85 -2.27 118.16 117.10 1i3c n LYS 84 Ca -0.09 0.23 0.09 0.00 -2.87 0.00 0.00 58.31 55.67 1i3c n LYS 84 Cb 0.23 -1.58 -0.11 0.00 -1.84 0.00 0.00 35.03 31.73 1i3c n LYS 84 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1i3c n GLN 85 N -1.66 0.57 -3.00 1.97 6.02 -0.97 -4.73 117.38 115.58 1i3c n GLN 85 Ca 0.04 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 1i3c n GLN 85 Cb 0.22 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 30.01 1i3c n GLN 85 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1i3c s ASN 86 N -2.93 6.84 0.56 1.08 3.84 -1.04 -4.94 114.94 118.35 1i3c s ASN 86 Ca 0.06 1.03 0.26 0.00 0.21 0.00 0.00 52.86 54.42 1i3c s ASN 86 Cb 0.15 -2.40 1.60 0.00 -0.55 0.00 0.00 41.25 40.04 1i3c s ASN 86 CO 0.80 -0.32 2.19 -0.65 -2.79 0.00 0.00 177.10 176.33 1i3c h PRO 87 N 7.34 0.00 -0.64 0.43 0.11 -1.91 0.10 132.00 137.43 1i3c h PRO 87 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1i3c h PRO 87 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1i3c h PRO 87 CO 0.80 0.03 0.00 -3.47 -0.21 0.00 0.00 178.00 175.15 1i3c n ASP 88 N -3.99 4.27 0.00 -2.05 2.03 -1.26 -4.39 116.55 111.17 1i3c n ASP 88 Ca -0.03 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.87 1i3c n ASP 88 Cb 0.12 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1i3c n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1i3c n LEU 89 N 0.94 0.00 0.32 -2.67 4.77 -0.88 -4.74 117.00 114.74 1i3c n LEU 89 Ca 0.23 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.41 1i3c n LEU 89 Cb 0.81 0.00 1.08 0.00 -2.33 0.00 0.00 43.42 42.98 1i3c n LEU 89 CO 0.22 0.00 1.14 0.07 -1.33 0.00 0.00 177.39 177.49 1i3c h LYS 90 N 0.00 0.00 0.00 3.23 2.10 -0.37 -2.05 116.57 119.48 1i3c h LYS 90 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1i3c h LYS 90 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1i3c h LYS 90 CO 0.00 0.01 -0.20 0.07 -2.00 0.00 0.00 179.45 177.33 1i3c h ARG 91 N 0.00 0.00 -6.26 0.07 0.11 -1.85 -3.45 114.38 103.00 1i3c h ARG 91 Ca -0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 1i3c h ARG 91 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1i3c h ARG 91 CO 0.00 0.20 1.06 0.42 0.10 0.00 0.00 179.97 181.75 1i3c s ILE 92 N -3.53 3.64 0.24 0.08 1.01 -0.77 -4.83 121.20 117.03 1i3c s ILE 92 Ca 0.02 0.79 -0.31 0.00 0.00 0.00 0.00 60.65 61.15 1i3c s ILE 92 Cb 0.09 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 1i3c s ILE 92 CO 0.64 -0.07 1.63 -2.84 0.00 0.00 0.00 174.94 174.30 1i3c s PRO 93 N 3.89 4.15 -0.15 2.79 0.02 -1.26 -4.88 135.00 139.55 1i3c s PRO 93 Ca 0.71 2.54 0.02 0.00 0.02 0.00 0.00 61.00 64.29 1i3c s PRO 93 Cb -0.32 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.15 1i3c s PRO 93 CO 0.28 -0.66 -0.20 0.08 -0.33 0.00 0.00 177.00 176.17 1i3c s VAL 94 N 0.59 1.98 -0.33 3.83 1.01 -1.26 -0.87 120.40 125.35 1i3c s VAL 94 Ca 0.68 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1i3c s VAL 94 Cb -0.48 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.17 1i3c s VAL 94 CO 0.39 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.42 1i3c s VAL 95 N 1.05 3.62 0.05 2.92 1.01 0.12 -1.98 120.40 127.19 1i3c s VAL 95 Ca -0.02 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1i3c s VAL 95 Cb -0.14 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1i3c s VAL 95 CO -0.07 -0.17 1.05 -0.69 0.00 0.00 0.00 175.10 175.22 1i3c s VAL 96 N 1.37 4.48 -0.30 2.92 1.01 -0.55 -1.15 120.40 128.18 1i3c s VAL 96 Ca -0.02 1.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.81 1i3c s VAL 96 Cb -0.20 -4.19 0.09 0.00 0.00 0.00 0.00 36.38 32.09 1i3c s VAL 96 CO 0.02 0.19 0.08 -0.22 0.00 0.00 0.00 175.10 175.17 1i3c s LEU 97 N 0.71 2.40 0.13 3.92 2.96 -0.35 0.08 118.68 128.53 1i3c s LEU 97 Ca 0.53 -1.59 -0.06 0.00 -0.22 0.00 0.00 54.13 52.79 1i3c s LEU 97 Cb -0.24 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1i3c s LEU 97 CO 0.29 -0.39 0.17 0.28 -1.32 0.00 0.00 176.35 175.38 1i3c s THR 98 N 1.56 0.11 0.06 3.68 -1.32 -0.51 -3.82 115.64 115.41 1i3c s THR 98 Ca 0.08 -1.53 -0.19 0.00 -1.21 0.00 0.00 61.69 58.84 1i3c s THR 98 Cb -0.17 -1.76 -0.11 0.00 -1.51 0.00 0.00 72.50 68.95 1i3c s THR 98 CO -0.21 -0.49 1.41 0.74 -2.21 0.00 0.00 174.62 173.85 1i3c h THR 99 N 2.74 1.31 -3.50 5.08 2.02 -1.87 0.40 112.91 119.10 1i3c h THR 99 Ca -0.33 -1.22 -0.53 0.00 0.77 0.00 0.00 66.41 65.10 1i3c h THR 99 Cb 1.20 1.67 0.07 0.00 -1.74 0.00 0.00 68.15 69.36 1i3c h THR 99 CO 0.55 0.37 0.79 -0.55 0.37 0.00 0.00 175.52 177.04 1i3c s SER 100 N -6.15 6.54 -0.05 4.18 0.15 -1.26 -4.59 113.70 112.52 1i3c s SER 100 Ca -0.14 2.81 0.07 0.00 0.70 0.00 0.00 55.95 59.40 1i3c s SER 100 Cb 0.06 -2.64 0.11 0.00 -1.71 0.00 0.00 66.02 61.85 1i3c s SER 100 CO 0.77 -0.77 1.02 0.00 1.20 0.00 0.00 173.24 175.46 1i3c n HIS 101 N 1.84 0.00 -1.75 3.44 1.44 -1.26 -4.84 115.22 114.09 1i3c n HIS 101 Ca 0.06 -0.42 -0.42 0.00 -2.01 0.00 0.00 57.72 54.93 1i3c n HIS 101 Cb 0.39 -0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.39 1i3c n HIS 101 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1i3c s ASN 102 N -1.65 6.47 0.42 4.39 3.84 -1.26 -4.85 114.94 122.30 1i3c s ASN 102 Ca 0.12 2.66 0.22 0.00 0.21 0.00 0.00 52.86 56.07 1i3c s ASN 102 Cb 0.11 -2.55 1.20 0.00 -0.55 0.00 0.00 41.25 39.45 1i3c s ASN 102 CO 0.01 -1.00 1.77 -0.33 -2.79 0.00 0.00 177.10 174.76 1i3c h GLU 103 N 9.25 0.30 -0.04 0.43 5.08 -1.99 0.15 114.58 127.76 1i3c h GLU 103 Ca -0.46 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1i3c h GLU 103 Cb 1.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1i3c h GLU 103 CO 0.94 0.20 -0.56 -0.44 -1.00 0.00 0.00 179.01 178.15 1i3c h ASP 104 N 0.31 0.13 0.21 1.42 3.32 -1.99 -0.36 116.42 119.45 1i3c h ASP 104 Ca 0.60 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 57.37 1i3c h ASP 104 Cb 1.69 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1i3c h ASP 104 CO -0.26 0.66 -0.84 0.44 -1.72 0.00 0.00 179.24 177.53 1i3c h ASP 105 N 0.09 0.60 0.11 6.45 3.32 -1.13 -2.27 116.42 123.58 1i3c h ASP 105 Ca -0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1i3c h ASP 105 Cb 1.02 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1i3c h ASP 105 CO 0.08 1.21 -0.05 0.58 -1.72 0.00 0.00 179.24 179.34 1i3c h VAL 106 N 0.31 1.02 -0.55 -1.35 2.07 -1.02 -2.57 116.25 114.16 1i3c h VAL 106 Ca -0.06 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.05 1i3c h VAL 106 Cb 1.45 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 1i3c h VAL 106 CO 0.15 0.12 0.24 0.40 0.02 0.00 0.00 177.57 178.50 1i3c h ILE 107 N -0.36 0.87 -0.87 4.57 2.04 -1.08 -1.84 117.51 120.83 1i3c h ILE 107 Ca -0.01 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1i3c h ILE 107 Cb 0.30 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1i3c h ILE 107 CO 0.02 0.08 0.57 0.00 0.00 0.00 0.00 178.15 178.83 1i3c h ALA 108 N 1.34 1.46 -0.28 1.87 0.00 -1.34 0.18 119.26 122.49 1i3c h ALA 108 Ca 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1i3c h ALA 108 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1i3c h ALA 108 CO -0.23 0.44 -0.10 0.77 0.00 0.00 0.00 179.25 180.13 1i3c h SER 109 N 1.08 0.58 0.30 0.00 0.02 -0.94 -2.35 113.55 112.24 1i3c h SER 109 Ca 0.35 -0.39 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1i3c h SER 109 Cb 0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1i3c h SER 109 CO -0.11 0.84 -0.35 1.88 -1.14 0.00 0.00 176.83 177.95 1i3c h TYR 110 N 0.32 0.09 0.00 3.45 -1.99 -0.98 -1.81 116.97 116.06 1i3c h TYR 110 Ca 0.07 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 1i3c h TYR 110 Cb 0.60 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 1i3c h TYR 110 CO 0.06 0.43 -0.29 1.49 -0.00 0.00 0.00 178.16 179.84 1i3c h GLU 111 N 0.07 0.00 -0.29 4.88 4.57 -0.74 -0.97 114.58 122.09 1i3c h GLU 111 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1i3c h GLU 111 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1i3c h GLU 111 CO 0.05 0.29 0.00 1.28 -1.18 0.00 0.00 179.01 179.45 1i3c n LEU 112 N -3.84 1.70 -1.16 1.64 4.77 -0.88 -4.92 117.00 114.31 1i3c n LEU 112 Ca -0.01 -0.83 -0.07 0.00 -0.03 0.00 0.00 56.01 55.07 1i3c n LEU 112 Cb 0.37 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1i3c n LEU 112 CO 0.36 0.41 0.00 1.41 -1.33 0.00 0.00 177.39 178.24 1i3c n HIS 113 N 0.41 -0.65 -2.19 -1.77 8.25 -0.37 -4.75 115.22 114.15 1i3c n HIS 113 Ca 0.12 0.18 -0.38 0.00 -0.26 0.00 0.00 57.72 57.37 1i3c n HIS 113 Cb 0.28 -2.14 -0.01 0.00 1.12 0.00 0.00 29.99 29.24 1i3c n HIS 113 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1i3c s VAL 114 N -2.75 2.93 0.21 1.59 0.11 -0.73 -4.91 120.40 116.85 1i3c s VAL 114 Ca 0.10 0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 59.90 1i3c s VAL 114 Cb -0.05 -3.43 -0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1i3c s VAL 114 CO 0.13 0.06 1.57 0.78 -3.33 0.00 0.00 175.10 174.31 1i3c h ASN 115 N 2.47 0.61 -4.64 3.54 4.21 -1.75 -3.44 115.58 116.58 1i3c h ASN 115 Ca -0.49 -0.29 0.04 0.00 1.21 0.00 0.00 56.30 56.77 1i3c h ASN 115 Cb 1.24 -0.17 -0.18 0.00 -1.12 0.00 0.00 38.32 38.09 1i3c h ASN 115 CO 0.62 0.97 0.39 0.00 -1.29 0.00 0.00 177.43 178.12 1i3c s TYR 117 N -2.23 2.69 -0.06 0.00 5.04 -1.26 -1.48 117.35 120.05 1i3c s TYR 117 Ca -0.01 -1.19 0.05 0.00 -2.44 0.00 0.00 57.07 53.48 1i3c s TYR 117 Cb -0.01 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.48 1i3c s TYR 117 CO -0.02 -0.53 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.94 1i3c s LEU 118 N 0.72 1.98 -0.25 6.97 1.02 0.11 -4.97 118.68 124.27 1i3c s LEU 118 Ca -0.09 -0.45 -0.20 0.00 0.02 0.00 0.00 54.13 53.41 1i3c s LEU 118 Cb -0.16 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.83 1i3c s LEU 118 CO 0.01 0.18 0.61 -0.89 0.02 0.00 0.00 176.35 176.27 1i3c s THR 119 N 0.09 5.01 -0.34 5.49 2.01 -1.26 -1.42 115.64 125.23 1i3c s THR 119 Ca -0.08 1.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.73 1i3c s THR 119 Cb -0.14 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.47 1i3c s THR 119 CO 0.04 0.05 1.01 -0.75 -0.69 0.00 0.00 174.62 174.28 1i3c s LYS 120 N 2.39 3.99 0.50 4.92 2.20 0.14 -4.88 119.74 129.00 1i3c s LYS 120 Ca 0.25 0.87 -0.20 0.00 -0.36 0.00 0.00 55.97 56.54 1i3c s LYS 120 Cb -0.16 -3.76 -0.08 0.00 -1.51 0.00 0.00 37.83 32.33 1i3c s LYS 120 CO 0.09 -0.90 1.05 0.45 -0.36 0.00 0.00 175.35 175.68 1i3c s SER 121 N 1.74 6.23 0.27 1.43 0.15 -1.26 -4.54 113.70 117.71 1i3c s SER 121 Ca 0.42 1.97 0.26 0.00 0.70 0.00 0.00 55.95 59.29 1i3c s SER 121 Cb -0.12 -2.56 0.78 0.00 -1.71 0.00 0.00 66.02 62.40 1i3c s SER 121 CO 0.16 -0.86 1.75 0.08 1.20 0.00 0.00 173.24 175.57 1i3c h ARG 122 N 1.47 0.00 -5.81 5.44 0.11 -2.00 -3.43 114.38 110.16 1i3c h ARG 122 Ca -0.50 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.00 1i3c h ARG 122 Cb 1.23 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.23 1i3c h ARG 122 CO 0.59 0.00 0.17 1.21 0.10 0.00 0.00 179.97 182.04 1i3c s ASN 123 N -4.81 6.81 0.48 0.08 3.84 -1.26 -4.95 114.94 115.13 1i3c s ASN 123 Ca 0.09 0.99 0.28 0.00 0.21 0.00 0.00 52.86 54.42 1i3c s ASN 123 Cb 0.11 -2.38 1.05 0.00 -0.55 0.00 0.00 41.25 39.47 1i3c s ASN 123 CO 0.58 -0.26 1.87 -0.07 -2.79 0.00 0.00 177.10 176.43 1i3c h LEU 124 N 7.87 0.00 -0.19 3.21 3.38 -1.99 -1.17 115.31 126.42 1i3c h LEU 124 Ca -0.33 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.42 1i3c h LEU 124 Cb 1.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1i3c h LEU 124 CO 0.78 0.12 -0.80 0.11 0.09 0.00 0.00 178.44 178.75 1i3c h LYS 125 N 0.00 0.71 -0.18 1.13 6.56 -1.96 -0.33 116.57 122.50 1i3c h LYS 125 Ca -0.00 -0.60 -0.01 0.00 -1.06 0.00 0.00 60.65 58.98 1i3c h LYS 125 Cb 0.68 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.46 1i3c h LYS 125 CO 0.02 1.21 0.07 -0.44 -2.06 0.00 0.00 179.45 178.24 1i3c h ASP 126 N 0.47 0.25 -0.76 0.86 5.19 -1.87 -2.66 116.42 117.91 1i3c h ASP 126 Ca -0.06 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.13 1i3c h ASP 126 Cb 1.42 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.83 1i3c h ASP 126 CO 0.16 0.36 0.32 0.25 -3.12 0.00 0.00 179.24 177.21 1i3c h LEU 127 N 0.12 1.04 -0.63 1.55 5.85 -1.16 -2.70 115.31 119.38 1i3c h LEU 127 Ca 0.06 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1i3c h LEU 127 Cb 0.19 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1i3c h LEU 127 CO -0.00 0.91 0.38 0.15 -0.34 0.00 0.00 178.44 179.54 1i3c h PHE 128 N 1.11 0.71 0.00 1.25 3.57 -0.91 0.20 116.94 122.88 1i3c h PHE 128 Ca 0.26 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1i3c h PHE 128 Cb 0.19 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1i3c h PHE 128 CO 0.02 0.40 0.00 1.63 -2.23 0.00 0.00 178.31 178.12 1i3c n LYS 129 N -4.73 0.16 0.00 1.11 5.02 -1.01 -1.25 118.16 117.45 1i3c n LYS 129 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1i3c n LYS 129 Cb 0.10 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1i3c n LYS 129 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1i3c n VAL 131 N 0.71 0.00 -0.10 -0.18 0.31 0.06 -1.96 118.33 117.17 1i3c n VAL 131 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1i3c n VAL 131 Cb 0.06 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.14 1i3c n VAL 131 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1i3c h GLN 132 N 0.00 0.77 -0.57 5.55 4.20 -1.42 -0.66 115.11 122.98 1i3c h GLN 132 Ca 0.00 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.38 1i3c h GLN 132 Cb 0.00 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1i3c h GLN 132 CO 0.00 0.81 -0.04 0.78 -0.67 0.00 0.00 178.83 179.71 1i3c h GLY 133 N 0.97 1.13 1.00 3.46 0.00 -1.67 -0.38 103.07 107.58 1i3c h GLY 133 Ca 0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1i3c h GLY 133 CO 0.03 0.79 0.37 -2.22 0.00 0.00 0.00 176.54 175.51 1i3c h ILE 134 N 0.93 1.21 0.14 2.60 2.04 -1.74 -1.56 117.51 121.13 1i3c h ILE 134 Ca 0.16 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1i3c h ILE 134 Cb 0.61 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1i3c h ILE 134 CO 0.04 0.23 -0.07 -0.08 0.00 0.00 0.00 178.15 178.27 1i3c h GLU 135 N 0.92 -0.19 -0.39 2.37 4.22 -0.85 -1.65 114.58 119.02 1i3c h GLU 135 Ca 0.24 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.60 1i3c h GLU 135 Cb 0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1i3c h GLU 135 CO -0.04 0.09 -0.12 0.66 -2.18 0.00 0.00 179.01 177.42 1i3c h SER 136 N -0.45 0.68 0.04 1.04 4.64 -1.02 -1.31 113.55 117.17 1i3c h SER 136 Ca -0.02 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1i3c h SER 136 Cb 0.36 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1i3c h SER 136 CO 0.03 0.83 -0.02 0.15 -0.87 0.00 0.00 176.83 176.95 1i3c h PHE 137 N 0.63 -0.05 -0.13 4.77 3.57 -1.32 -2.38 116.94 122.01 1i3c h PHE 137 Ca 0.11 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 1i3c h PHE 137 Cb 0.57 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1i3c h PHE 137 CO 0.03 -0.03 -0.66 -1.49 -2.23 0.00 0.00 178.31 173.92 1i3c h TRP 138 N -0.96 0.69 0.00 0.41 4.06 -1.42 0.26 115.95 118.99 1i3c h TRP 138 Ca -0.01 -0.28 -0.24 0.00 2.06 0.00 0.00 58.89 60.42 1i3c h TRP 138 Cb 0.04 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.04 1i3c h TRP 138 CO 0.00 1.04 -1.66 -0.11 -3.56 0.00 0.00 178.44 174.15 1i3c n LEU 139 N -3.90 0.76 -0.03 -4.49 7.94 -0.53 -4.13 117.00 112.62 1i3c n LEU 139 Ca -0.04 0.35 -0.00 0.00 -1.11 0.00 0.00 56.01 55.20 1i3c n LEU 139 Cb 0.67 0.16 -0.10 0.00 0.53 0.00 0.00 43.42 44.68 1i3c n LEU 139 CO 0.48 0.29 -0.78 -0.62 -1.11 0.00 0.00 177.39 175.65 1i3c n GLU 140 N -2.93 1.32 -0.09 1.96 1.02 -0.99 -4.83 120.64 116.09 1i3c n GLU 140 Ca -0.15 -0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 56.78 1i3c n GLU 140 Cb 0.96 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 31.00 1i3c n GLU 140 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1i3c n THR 141 N -2.21 1.04 -2.48 2.62 -1.04 -0.57 -5.00 114.28 106.64 1i3c n THR 141 Ca -0.12 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.05 61.19 1i3c n THR 141 Cb 0.63 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 1i3c n THR 141 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i3c s VAL 142 N -2.36 3.62 -0.54 12.58 1.01 0.82 -4.99 120.40 130.54 1i3c s VAL 142 Ca -0.25 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 1i3c s VAL 142 Cb 0.08 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1i3c s VAL 142 CO 0.39 -0.13 0.62 -0.89 0.00 0.00 0.00 175.10 175.09 1i3c s THR 143 N -1.81 4.93 0.31 3.92 2.01 -1.26 -4.81 115.64 118.93 1i3c s THR 143 Ca 0.65 -0.85 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 1i3c s THR 143 Cb -0.20 -4.36 -0.09 0.00 0.01 0.00 0.00 72.50 67.86 1i3c s THR 143 CO 0.25 -0.91 1.01 -0.76 -0.69 0.00 0.00 174.62 173.52 1i3c s LEU 144 N 2.44 4.42 0.54 4.42 1.43 -1.26 -5.02 118.68 125.65 1i3c s LEU 144 Ca 0.11 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 55.06 1i3c s LEU 144 Cb -0.23 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 1i3c s LEU 144 CO 0.08 -0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.46 1i3c s PRO 145 N -1.81 3.40 0.19 1.29 0.04 -1.26 -4.95 135.00 131.90 1i3c s PRO 145 Ca 0.48 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.73 1i3c s PRO 145 Cb -0.25 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1i3c s PRO 145 CO 0.31 -0.79 1.65 0.00 0.04 0.00 0.00 177.00 178.22 1i3c s ALA 146 N -1.89 3.87 0.49 8.56 0.00 -1.26 -4.82 121.76 126.70 1i3c s ALA 146 Ca 0.71 1.49 -0.23 0.00 0.00 0.00 0.00 51.96 53.92 1i3c s ALA 146 Cb -0.22 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.18 1i3c s ALA 146 CO 0.27 -0.86 1.32 0.00 0.00 0.00 0.00 175.76 176.49 1i3c s ALA 147 N 1.17 3.00 0.19 0.00 0.00 -1.26 -4.94 121.76 119.92 1i3c s ALA 147 Ca 0.73 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 53.63 1i3c s ALA 147 Cb -0.47 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.04 1i3c s ALA 147 CO 0.32 -1.09 1.44 -1.25 0.00 0.00 0.00 175.76 175.17 1i3c s PRO 148 N -2.66 4.29 0.00 0.00 0.04 -1.26 -4.93 135.00 130.47 1i3c s PRO 148 Ca 0.65 2.22 0.26 0.00 0.04 0.00 0.00 61.00 64.18 1i3c s PRO 148 Cb -0.38 -3.17 1.56 0.00 0.04 0.00 0.00 34.50 32.55 1i3c s PRO 148 CO 0.47 -0.44 1.91 0.41 0.04 0.00 0.00 177.00 179.39