#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c s GLU 2 N 0.00 1.01 0.03 2.12 -1.05 -1.26 -4.41 118.70 115.15 3i9c s GLU 2 Ca 0.00 -0.37 0.02 0.00 -0.15 0.00 0.00 54.97 54.47 3i9c s GLU 2 Cb 0.00 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.13 3i9c s GLU 2 CO 0.00 -0.44 -0.08 0.00 0.95 0.00 0.00 175.26 175.69 3i9c s ALA 3 N -3.38 0.59 0.38 -0.84 0.00 -1.00 -4.95 121.76 112.56 3i9c s ALA 3 Ca 0.03 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.45 3i9c s ALA 3 Cb -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3i9c s ALA 3 CO -0.10 0.04 0.15 0.15 0.00 0.00 0.00 175.76 175.99 3i9c s LYS 4 N -1.15 2.24 -0.30 0.00 1.02 -1.26 -1.66 119.74 118.63 3i9c s LYS 4 Ca -0.06 -1.75 -0.12 0.00 0.02 0.00 0.00 55.97 54.06 3i9c s LYS 4 Cb -0.08 -2.03 0.13 0.00 -0.52 0.00 0.00 37.83 35.34 3i9c s LYS 4 CO 0.00 -0.02 0.74 0.00 -0.92 0.00 0.00 175.35 175.15 3i9c s ALA 5 N -2.54 -2.20 -0.18 5.17 0.00 -0.86 -4.70 121.76 116.45 3i9c s ALA 5 Ca 0.39 2.28 0.01 0.00 0.00 0.00 0.00 51.96 54.64 3i9c s ALA 5 Cb 0.02 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.36 3i9c s ALA 5 CO 0.22 -0.87 -0.12 0.42 0.00 0.00 0.00 175.76 175.41 3i9c s ILE 6 N 2.64 1.62 -0.51 0.00 1.01 -1.26 -0.90 121.20 123.80 3i9c s ILE 6 Ca -0.06 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.57 3i9c s ILE 6 Cb -0.10 -1.61 0.06 0.00 0.01 0.00 0.00 42.46 40.82 3i9c s ILE 6 CO -0.19 0.30 0.60 0.00 0.00 0.00 0.00 174.94 175.66 3i9c s ALA 7 N 1.44 3.41 -0.11 9.38 0.00 0.48 -4.90 121.76 131.45 3i9c s ALA 7 Ca 0.02 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.03 3i9c s ALA 7 Cb -0.15 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3i9c s ALA 7 CO -0.09 -2.00 0.27 1.03 0.00 0.00 0.00 175.76 174.97 3i9c s ARG 8 N 2.51 3.95 -0.62 0.00 0.52 -1.26 0.36 118.95 124.40 3i9c s ARG 8 Ca 0.13 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.41 3i9c s ARG 8 Cb -0.20 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 3i9c s ARG 8 CO 0.11 0.50 0.54 0.66 0.02 0.00 0.00 175.30 177.13 3i9c n TYR 9 N 2.69 -1.42 -3.35 -0.53 0.53 0.11 -4.98 117.16 110.21 3i9c n TYR 9 Ca -0.15 0.51 -0.45 0.00 -1.02 0.00 0.00 57.90 56.79 3i9c n TYR 9 Cb 0.53 -3.49 -0.06 0.00 -1.03 0.00 0.00 39.34 35.28 3i9c n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3i9c s VAL 10 N -3.22 5.21 -0.77 -0.72 1.01 -0.63 -4.85 120.40 116.42 3i9c s VAL 10 Ca 0.23 -1.28 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 3i9c s VAL 10 Cb -0.03 -4.22 -0.20 0.00 0.00 0.00 0.00 36.38 31.93 3i9c s VAL 10 CO 0.43 -0.72 2.03 -1.14 0.00 0.00 0.00 175.10 175.70 3i9c n ARG 11 N 5.22 0.20 -3.54 2.72 0.00 -1.26 -2.12 116.66 117.88 3i9c n ARG 11 Ca -0.13 -0.59 -0.07 0.00 -0.00 0.00 0.00 57.85 57.05 3i9c n ARG 11 Cb 0.42 -2.43 -0.02 0.00 0.00 0.00 0.00 32.46 30.43 3i9c n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3i9c s ILE 12 N 8.10 0.00 -0.26 5.15 2.07 -1.20 -4.99 121.20 130.08 3i9c s ILE 12 Ca 0.87 -0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.91 3i9c s ILE 12 Cb -0.32 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.21 3i9c s ILE 12 CO 0.24 0.00 0.53 -0.55 -1.91 0.00 0.00 174.94 173.25 3i9c s SER 13 N -2.41 6.46 0.28 4.50 0.15 -1.26 -2.70 113.70 118.72 3i9c s SER 13 Ca 0.06 0.56 -0.08 0.00 0.70 0.00 0.00 55.95 57.20 3i9c s SER 13 Cb -0.01 -2.29 0.46 0.00 -1.71 0.00 0.00 66.02 62.47 3i9c s SER 13 CO -0.08 -0.30 1.56 -0.65 1.20 0.00 0.00 173.24 174.98 3i9c h PRO 14 N 7.97 0.00 -0.88 5.44 0.11 -1.92 0.16 132.00 142.87 3i9c h PRO 14 Ca -0.29 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.86 3i9c h PRO 14 Cb 1.14 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3i9c h PRO 14 CO 0.73 0.00 0.58 -0.09 -0.21 0.00 0.00 178.00 179.01 3i9c h ARG 15 N 0.00 1.07 -0.39 1.05 2.43 -1.95 -1.45 114.38 115.14 3i9c h ARG 15 Ca 0.48 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.44 3i9c h ARG 15 Cb 0.74 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3i9c h ARG 15 CO -1.02 0.71 -0.34 0.87 -1.51 0.00 0.00 179.97 178.68 3i9c h LYS 16 N 1.10 0.89 -0.00 0.20 1.57 -1.11 -3.25 116.57 115.97 3i9c h LYS 16 Ca 0.35 -0.44 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 3i9c h LYS 16 Cb 0.02 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3i9c h LYS 16 CO -0.11 1.09 -0.67 0.28 -0.57 0.00 0.00 179.45 179.47 3i9c h VAL 17 N 0.74 1.40 -0.94 0.50 2.07 -1.18 -3.25 116.25 115.59 3i9c h VAL 17 Ca 0.07 -2.10 0.23 0.00 0.82 0.00 0.00 66.70 65.72 3i9c h VAL 17 Cb 0.91 2.56 -0.13 0.00 -1.52 0.00 0.00 31.29 33.11 3i9c h VAL 17 CO 0.08 0.62 0.47 -0.09 0.02 0.00 0.00 177.57 178.68 3i9c h ARG 18 N -0.02 0.45 -1.11 1.57 2.43 -1.35 0.46 114.38 116.82 3i9c h ARG 18 Ca -0.08 -0.03 0.31 0.00 -0.81 0.00 0.00 59.98 59.37 3i9c h ARG 18 Cb 1.38 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.72 3i9c h ARG 18 CO 0.13 0.30 0.71 -0.07 -1.51 0.00 0.00 179.97 179.53 3i9c h LEU 19 N 0.46 0.38 0.06 3.80 4.07 -1.59 0.17 115.31 122.67 3i9c h LEU 19 Ca 0.60 0.09 -0.35 0.00 0.08 0.00 0.00 57.88 58.30 3i9c h LEU 19 Cb 1.15 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.89 3i9c h LEU 19 CO -0.51 0.02 -1.97 0.55 -1.08 0.00 0.00 178.44 175.45 3i9c n VAL 20 N -4.63 1.65 -0.17 1.22 3.14 0.04 -3.94 118.33 115.64 3i9c n VAL 20 Ca 0.28 -0.47 0.28 0.00 -2.96 0.00 0.00 64.34 61.47 3i9c n VAL 20 Cb 1.02 -1.76 0.72 0.00 -1.06 0.00 0.00 33.84 32.75 3i9c n VAL 20 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3i9c h VAL 21 N -0.28 0.57 0.00 1.55 2.07 -0.40 2.38 116.25 122.13 3i9c h VAL 21 Ca -0.46 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3i9c h VAL 21 Cb 1.81 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3i9c h VAL 21 CO -0.06 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.00 3i9c n ASP 22 N -4.28 0.58 0.10 0.57 10.43 0.53 -3.27 116.55 121.21 3i9c n ASP 22 Ca 0.18 0.58 -0.01 0.00 2.57 0.00 0.00 54.79 58.11 3i9c n ASP 22 Cb 0.93 -0.73 -0.03 0.00 1.84 0.00 0.00 41.12 43.13 3i9c n ASP 22 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3i9c h LEU 23 N 0.00 0.00 0.00 0.64 5.85 0.39 -3.36 115.31 118.83 3i9c h LEU 23 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3i9c h LEU 23 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3i9c h LEU 23 CO 0.00 0.69 -1.95 2.30 -0.34 0.00 0.00 178.44 179.14 3i9c n ILE 24 N -3.25 0.25 -1.63 4.05 -5.35 -1.17 -4.94 119.36 107.33 3i9c n ILE 24 Ca 0.00 -0.50 -0.60 0.00 -0.27 0.00 0.00 62.75 61.38 3i9c n ILE 24 Cb 0.82 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 38.58 3i9c n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3i9c n ARG 25 N -2.27 0.43 0.00 6.28 0.63 -1.22 -2.51 116.66 118.01 3i9c n ARG 25 Ca -0.09 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3i9c n ARG 25 Cb 0.62 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.81 3i9c n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9c n GLY 26 N 2.91 2.00 1.95 5.14 0.00 0.46 -5.00 105.19 112.65 3i9c n GLY 26 Ca 0.24 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 3i9c n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9c n LYS 27 N 0.00 0.00 -0.80 1.61 5.02 -1.04 -3.06 118.16 119.89 3i9c n LYS 27 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3i9c n LYS 27 Cb 0.00 -0.58 0.12 0.00 -0.02 0.00 0.00 35.03 34.55 3i9c n LYS 27 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i9c n SER 28 N 1.22 -2.77 -0.03 4.39 3.41 -1.26 -3.18 113.62 115.40 3i9c n SER 28 Ca 0.09 -0.02 -0.15 0.00 -0.26 0.00 0.00 58.87 58.54 3i9c n SER 28 Cb 0.17 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.18 3i9c n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i9c h LEU 29 N -1.65 0.27 -0.82 1.04 5.85 -1.84 -2.57 115.31 115.59 3i9c h LEU 29 Ca -0.48 -0.67 -0.00 0.00 0.84 0.00 0.00 57.88 57.57 3i9c h LEU 29 Cb 1.36 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3i9c h LEU 29 CO 0.32 0.90 0.50 -0.08 -0.34 0.00 0.00 178.44 179.73 3i9c h GLU 30 N -0.34 1.11 0.00 1.25 4.81 -1.89 -0.57 114.58 118.94 3i9c h GLU 30 Ca -0.02 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3i9c h GLU 30 Cb 0.89 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3i9c h GLU 30 CO 0.05 0.78 -0.06 1.49 -0.73 0.00 0.00 179.01 180.54 3i9c h GLU 31 N 1.12 0.00 0.19 1.92 4.81 -1.92 -3.02 114.58 117.68 3i9c h GLU 31 Ca 0.29 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.27 3i9c h GLU 31 Cb -0.05 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.36 3i9c h GLU 31 CO -0.06 0.06 -1.14 0.00 -0.73 0.00 0.00 179.01 177.14 3i9c h ALA 32 N 1.94 -0.10 -0.90 2.92 0.00 -0.69 -2.79 119.26 119.64 3i9c h ALA 32 Ca -0.00 -0.80 0.03 0.00 0.00 0.00 0.00 54.91 54.14 3i9c h ALA 32 Cb 0.29 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3i9c h ALA 32 CO 0.01 0.55 0.59 0.00 0.00 0.00 0.00 179.25 180.39 3i9c h ARG 33 N -0.15 1.12 0.00 0.00 3.08 -1.29 0.74 114.38 117.87 3i9c h ARG 33 Ca -0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3i9c h ARG 33 Cb 1.87 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3i9c h ARG 33 CO 0.20 0.74 0.00 0.09 -1.07 0.00 0.00 179.97 179.93 3i9c n ASN 34 N -4.50 0.00 -0.22 7.04 5.03 -1.16 -0.66 115.26 120.78 3i9c n ASN 34 Ca 0.11 0.92 -0.06 0.00 0.87 0.00 0.00 54.58 56.42 3i9c n ASN 34 Cb 0.07 -0.50 -0.05 0.00 -1.02 0.00 0.00 39.78 38.29 3i9c n ASN 34 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 3i9c n ILE 35 N -1.99 -0.35 -0.32 2.41 5.41 -1.05 0.14 119.36 123.61 3i9c n ILE 35 Ca 0.00 1.70 0.16 0.00 1.00 0.00 0.00 62.75 65.61 3i9c n ILE 35 Cb 0.00 -2.14 0.35 0.00 -0.71 0.00 0.00 39.64 37.13 3i9c n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3i9c h LEU 36 N 0.00 0.34 -0.73 1.39 3.38 -0.86 -0.58 115.31 118.25 3i9c h LEU 36 Ca 0.08 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3i9c h LEU 36 Cb 0.21 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3i9c h LEU 36 CO -0.49 -0.05 0.27 -0.09 0.09 0.00 0.00 178.44 178.18 3i9c h ARG 37 N 0.37 1.11 -0.88 1.13 9.65 0.36 -3.15 114.38 122.97 3i9c h ARG 37 Ca 0.61 -0.21 -0.54 0.00 -1.10 0.00 0.00 59.98 58.74 3i9c h ARG 37 Cb 1.22 -0.17 -0.28 0.00 -1.39 0.00 0.00 29.97 29.34 3i9c h ARG 37 CO -0.56 0.92 0.49 0.66 2.80 0.00 0.00 179.97 184.28 3i9c n TYR 38 N -4.32 2.81 -4.39 2.20 4.01 -0.26 -4.91 117.16 112.30 3i9c n TYR 38 Ca 0.06 -2.33 -0.34 0.00 -0.16 0.00 0.00 57.90 55.13 3i9c n TYR 38 Cb 0.20 -1.02 -0.14 0.00 -0.31 0.00 0.00 39.34 38.06 3i9c n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i9c s THR 39 N -4.04 3.36 -0.89 -0.72 2.01 -0.97 -5.00 115.64 109.40 3i9c s THR 39 Ca 0.58 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 3i9c s THR 39 Cb 0.47 -2.47 0.14 0.00 0.01 0.00 0.00 72.50 70.65 3i9c s THR 39 CO 0.04 0.48 1.06 0.21 -0.69 0.00 0.00 174.62 175.72 3i9c s ASN 40 N 0.74 6.59 -0.28 3.53 3.04 -1.26 -4.85 114.94 122.45 3i9c s ASN 40 Ca -0.04 -2.02 -0.26 0.00 0.04 0.00 0.00 52.86 50.59 3i9c s ASN 40 Cb -0.15 -2.38 0.15 0.00 -1.54 0.00 0.00 41.25 37.34 3i9c s ASN 40 CO 0.02 -1.04 1.21 -0.54 -3.04 0.00 0.00 177.10 173.71 3i9c s LYS 41 N 2.50 0.32 0.56 0.43 -0.14 -1.26 -5.03 119.74 117.13 3i9c s LYS 41 Ca 0.30 0.32 0.33 0.00 -1.36 0.00 0.00 55.97 55.56 3i9c s LYS 41 Cb -0.07 0.15 1.66 0.00 -1.68 0.00 0.00 37.83 37.90 3i9c s LYS 41 CO -0.08 -0.05 2.12 -0.09 -0.76 0.00 0.00 175.35 176.50 3i9c h ARG 42 N 3.53 0.00 0.00 1.68 2.43 -1.96 -1.97 114.38 118.09 3i9c h ARG 42 Ca -0.26 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 3i9c h ARG 42 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3i9c h ARG 42 CO 0.16 0.06 -0.25 0.78 -1.51 0.00 0.00 179.97 179.21 3i9c h GLY 43 N 0.97 0.00 -0.10 2.80 0.00 -1.93 -3.25 103.07 101.56 3i9c h GLY 43 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3i9c h GLY 43 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.34 3i9c h ALA 44 N 1.75 -0.54 -1.05 3.60 0.00 -1.68 -2.12 119.26 119.22 3i9c h ALA 44 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i9c h ALA 44 Cb 0.49 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3i9c h ALA 44 CO 0.03 -0.63 0.00 0.98 0.00 0.00 0.00 179.25 179.63 3i9c n TYR 45 N -3.68 0.00 -0.19 0.00 9.36 -1.22 0.79 117.16 122.21 3i9c n TYR 45 Ca -0.02 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.12 3i9c n TYR 45 Cb 0.14 -0.22 -0.03 0.00 -0.63 0.00 0.00 39.34 38.60 3i9c n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3i9c h PHE 46 N 0.00 -1.23 0.38 2.98 0.04 -1.72 0.32 116.94 117.71 3i9c h PHE 46 Ca 0.00 0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3i9c h PHE 46 Cb 0.00 0.62 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 3i9c h PHE 46 CO -0.41 -0.42 -0.22 0.28 -0.60 0.00 0.00 178.31 176.94 3i9c h VAL 47 N -0.24 0.54 -0.88 -0.55 2.07 -0.77 -1.21 116.25 115.22 3i9c h VAL 47 Ca 0.18 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.91 3i9c h VAL 47 Cb 0.56 0.54 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 3i9c h VAL 47 CO -0.67 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.29 3i9c h ALA 48 N 0.03 1.38 -0.53 1.67 0.00 0.10 -0.17 119.26 121.74 3i9c h ALA 48 Ca -0.04 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3i9c h ALA 48 Cb 0.46 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3i9c h ALA 48 CO 0.05 -0.35 0.15 -0.22 0.00 0.00 0.00 179.25 178.88 3i9c h LYS 49 N 0.38 0.84 0.00 0.00 3.64 0.27 -1.78 116.57 119.92 3i9c h LYS 49 Ca 0.54 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3i9c h LYS 49 Cb 1.02 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3i9c h LYS 49 CO -0.53 0.79 -0.02 -0.24 -2.27 0.00 0.00 179.45 177.17 3i9c h VAL 50 N 0.74 0.06 -0.06 2.00 3.04 -0.02 -1.75 116.25 120.25 3i9c h VAL 50 Ca 0.17 -0.62 -0.05 0.00 -1.01 0.00 0.00 66.70 65.19 3i9c h VAL 50 Cb 0.31 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3i9c h VAL 50 CO -0.00 0.02 -0.17 0.25 -1.01 0.00 0.00 177.57 176.66 3i9c h LEU 51 N 0.00 0.26 0.43 3.16 7.12 -0.61 -2.64 115.31 123.02 3i9c h LEU 51 Ca -0.00 -0.61 -0.02 0.00 0.13 0.00 0.00 57.88 57.38 3i9c h LEU 51 Cb 0.58 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 3i9c h LEU 51 CO 0.00 0.82 -0.21 -0.08 -0.13 0.00 0.00 178.44 178.84 3i9c h GLU 52 N -0.29 -0.56 -1.05 1.25 4.57 -0.96 -2.16 114.58 115.38 3i9c h GLU 52 Ca -0.00 0.04 0.31 0.00 -1.18 0.00 0.00 59.36 58.52 3i9c h GLU 52 Cb 0.79 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 3i9c h GLU 52 CO 0.04 -0.36 0.95 1.03 -1.18 0.00 0.00 179.01 179.49 3i9c h SER 53 N -0.61 0.00 0.02 1.04 0.87 -1.34 -0.45 113.55 113.07 3i9c h SER 53 Ca -0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3i9c h SER 53 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3i9c h SER 53 CO 0.10 0.00 -0.01 0.00 -0.53 0.00 0.00 176.83 176.39 3i9c h ALA 54 N 1.09 -0.02 -0.51 6.23 0.00 -1.01 -3.18 119.26 121.86 3i9c h ALA 54 Ca 0.50 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i9c h ALA 54 Cb 2.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.17 3i9c h ALA 54 CO -0.01 -0.15 0.30 0.00 0.00 0.00 0.00 179.25 179.39 3i9c h ALA 55 N 0.19 0.65 0.00 0.00 0.00 -0.97 0.25 119.26 119.38 3i9c h ALA 55 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i9c h ALA 55 Cb 0.69 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i9c h ALA 55 CO 0.00 0.14 0.01 0.00 0.00 0.00 0.00 179.25 179.40 3i9c n ALA 56 N -2.27 1.26 -0.01 0.00 0.00 -0.66 -1.79 120.51 117.04 3i9c n ALA 56 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 3i9c n ALA 56 Cb 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3i9c n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i9c n ASN 57 N -1.13 0.79 0.00 0.00 5.03 -0.05 -4.23 115.26 115.68 3i9c n ASN 57 Ca 0.00 0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.57 3i9c n ASN 57 Cb 0.01 -0.42 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 3i9c n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i9c n ALA 58 N -3.27 0.00 -0.29 5.41 0.00 0.68 0.35 120.51 123.39 3i9c n ALA 58 Ca -0.04 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.56 3i9c n ALA 58 Cb 0.15 0.02 0.43 0.00 0.00 0.00 0.00 19.45 20.05 3i9c n ALA 58 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3i9c h VAL 59 N 0.00 0.71 0.00 0.00 3.04 -1.73 0.41 116.25 118.68 3i9c h VAL 59 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3i9c h VAL 59 Cb 0.00 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 3i9c h VAL 59 CO 0.00 0.10 -0.35 -1.13 -1.01 0.00 0.00 177.57 175.18 3i9c h ASN 60 N 0.58 0.00 0.00 3.17 -0.73 -1.24 -2.94 115.58 114.42 3i9c h ASN 60 Ca 0.51 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.62 3i9c h ASN 60 Cb 1.03 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.62 3i9c h ASN 60 CO -0.25 0.03 -0.70 0.59 -0.37 0.00 0.00 177.43 176.73 3i9c n ASN 61 N -2.54 3.48 -0.18 1.15 5.03 1.09 -4.69 115.26 118.59 3i9c n ASN 61 Ca 0.03 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.54 3i9c n ASN 61 Cb 0.48 0.56 0.11 0.00 -1.02 0.00 0.00 39.78 39.91 3i9c n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3i9c n HIS 62 N -1.23 0.14 -2.04 3.10 8.25 0.14 -5.01 115.22 118.56 3i9c n HIS 62 Ca 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 3i9c n HIS 62 Cb 0.13 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3i9c n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3i9c n ASP 63 N -0.85 -4.03 0.00 0.41 5.75 -0.73 -4.83 116.55 112.27 3i9c n ASP 63 Ca 0.11 0.72 0.00 0.00 -0.01 0.00 0.00 54.79 55.60 3i9c n ASP 63 Cb 0.52 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 3i9c n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3i9c n MET 64 N 2.06 0.03 -2.17 0.11 2.81 -1.22 -4.85 117.12 113.89 3i9c n MET 64 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 3i9c n MET 64 Cb 0.00 -0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 3i9c n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3i9c n LEU 65 N 0.00 -5.14 0.00 4.03 0.00 -1.26 -4.76 117.00 109.87 3i9c n LEU 65 Ca 0.00 1.84 0.08 0.00 0.00 0.00 0.00 56.01 57.93 3i9c n LEU 65 Cb 0.00 -2.65 0.47 0.00 0.00 0.00 0.00 43.42 41.23 3i9c n LEU 65 CO 0.00 -2.64 0.69 -1.84 0.00 0.00 0.00 177.39 173.60 3i9c n GLU 66 N 1.27 0.64 -0.21 1.96 0.00 -1.26 -2.77 120.64 120.28 3i9c n GLU 66 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.03 3i9c n GLU 66 Cb 0.30 -1.38 0.20 0.00 0.00 0.00 0.00 31.44 30.56 3i9c n GLU 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3i9c n ASP 67 N -0.88 2.26 0.00 -1.84 8.00 -1.26 -3.82 116.55 119.01 3i9c n ASP 67 Ca 0.12 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3i9c n ASP 67 Cb 0.05 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3i9c n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i9c n ARG 68 N 0.74 2.24 -2.80 -1.24 1.74 -1.11 -5.06 116.66 111.16 3i9c n ARG 68 Ca 0.14 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.90 3i9c n ARG 68 Cb 0.36 -0.84 -0.06 0.00 -1.02 0.00 0.00 32.46 30.89 3i9c n ARG 68 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3i9c s LEU 69 N -2.49 3.90 0.00 0.55 0.05 -1.25 -0.73 118.68 118.72 3i9c s LEU 69 Ca 0.00 1.60 0.00 0.00 0.05 0.00 0.00 54.13 55.78 3i9c s LEU 69 Cb 0.00 -4.46 0.00 0.00 -2.05 0.00 0.00 46.19 39.68 3i9c s LEU 69 CO 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 176.35 175.43 3i9c n TYR 70 N -0.77 0.00 -3.45 3.48 -0.00 -1.26 -3.07 117.16 112.10 3i9c n TYR 70 Ca 0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.59 3i9c n TYR 70 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.84 3i9c n TYR 70 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 3i9c n VAL 71 N 0.00 3.58 -0.31 -3.48 0.31 -1.17 -3.49 118.33 113.76 3i9c n VAL 71 Ca 0.00 -5.32 0.23 0.00 -0.01 0.00 0.00 64.34 59.24 3i9c n VAL 71 Cb 0.00 -2.32 0.52 0.00 -0.91 0.00 0.00 33.84 31.14 3i9c n VAL 71 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i9c h LYS 72 N 5.72 0.36 -1.19 5.55 3.64 -0.88 0.13 116.57 129.91 3i9c h LYS 72 Ca 0.18 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.70 3i9c h LYS 72 Cb 0.76 -0.08 -0.32 0.00 -0.41 0.00 0.00 32.23 32.18 3i9c h LYS 72 CO 0.97 0.24 0.78 0.00 -2.27 0.00 0.00 179.45 179.17 3i9c s ALA 73 N -5.46 -2.17 0.05 5.00 0.00 -0.97 -4.77 121.76 113.44 3i9c s ALA 73 Ca -0.08 1.73 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 3i9c s ALA 73 Cb 0.25 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 3i9c s ALA 73 CO 0.80 -0.13 0.07 0.00 0.00 0.00 0.00 175.76 176.50 3i9c s ALA 74 N 0.08 0.09 -0.18 0.00 0.00 -1.26 -0.56 121.76 119.92 3i9c s ALA 74 Ca 0.06 -0.77 -0.32 0.00 0.00 0.00 0.00 51.96 50.93 3i9c s ALA 74 Cb -0.05 0.30 0.14 0.00 0.00 0.00 0.00 23.12 23.51 3i9c s ALA 74 CO -0.14 -0.37 1.16 1.52 0.00 0.00 0.00 175.76 177.93 3i9c s TYR 75 N -3.22 -0.19 -0.10 0.00 -0.00 -0.87 -5.00 117.35 107.97 3i9c s TYR 75 Ca 0.00 0.21 0.02 0.00 -0.00 0.00 0.00 57.07 57.29 3i9c s TYR 75 Cb 0.02 0.50 0.02 0.00 -0.00 0.00 0.00 41.96 42.50 3i9c s TYR 75 CO -0.07 -0.24 -0.14 0.54 -0.00 0.00 0.00 175.55 175.64 3i9c s VAL 76 N -1.96 1.38 0.07 -3.49 0.11 -1.26 -2.15 120.40 113.09 3i9c s VAL 76 Ca 0.06 -0.57 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 3i9c s VAL 76 Cb -0.01 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 3i9c s VAL 76 CO -0.04 0.42 -0.02 -1.81 -3.33 0.00 0.00 175.10 170.31 3i9c s ASP 77 N 1.01 4.89 -0.01 3.54 1.01 -0.55 -4.94 116.67 121.62 3i9c s ASP 77 Ca -0.07 -0.18 -0.30 0.00 0.71 0.00 0.00 52.55 52.72 3i9c s ASP 77 Cb -0.15 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 3i9c s ASP 77 CO -0.01 0.21 1.11 -0.70 0.21 0.00 0.00 175.17 175.98 3i9c s GLU 78 N -2.05 4.45 0.00 8.23 2.12 -1.26 -0.39 118.70 129.81 3i9c s GLU 78 Ca 0.23 1.59 0.00 0.00 0.36 0.00 0.00 54.97 57.15 3i9c s GLU 78 Cb -0.11 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3i9c s GLU 78 CO 0.15 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3i9c n GLY 79 N 3.14 0.42 0.00 -1.50 0.00 -0.85 -4.88 105.19 101.52 3i9c n GLY 79 Ca 0.08 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3i9c n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i9c n PRO 80 N 0.00 0.00 -3.65 1.61 -0.04 -1.26 -4.76 135.00 126.90 3i9c n PRO 80 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3i9c n PRO 80 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 3i9c n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9c s ALA 81 N -2.86 -2.34 -0.54 0.55 0.00 -1.26 -4.15 121.76 111.15 3i9c s ALA 81 Ca 0.00 1.84 -0.20 0.00 0.00 0.00 0.00 51.96 53.60 3i9c s ALA 81 Cb 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.38 3i9c s ALA 81 CO 0.00 -0.20 0.73 -0.51 0.00 0.00 0.00 175.76 175.78 3i9c s LEU 82 N 0.48 4.80 0.05 0.00 1.43 0.23 -4.91 118.68 120.76 3i9c s LEU 82 Ca 0.01 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 3i9c s LEU 82 Cb -0.04 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3i9c s LEU 82 CO -0.13 -1.04 0.96 -0.54 0.23 0.00 0.00 176.35 175.83 3i9c s LYS 83 N 3.03 4.62 0.12 1.70 1.02 -1.26 0.14 119.74 129.11 3i9c s LYS 83 Ca 0.18 1.41 0.04 0.00 0.02 0.00 0.00 55.97 57.62 3i9c s LYS 83 Cb -0.18 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3i9c s LYS 83 CO 0.12 0.09 -0.10 1.03 -0.92 0.00 0.00 175.35 175.57 3i9c s ARG 84 N 0.50 0.96 -0.53 1.68 1.81 0.52 -4.91 118.95 118.98 3i9c s ARG 84 Ca 0.49 -1.31 -0.17 0.00 -1.72 0.00 0.00 55.73 53.01 3i9c s ARG 84 Cb -0.22 -0.60 0.10 0.00 -0.45 0.00 0.00 34.95 33.78 3i9c s ARG 84 CO 0.28 0.08 0.56 0.08 -0.68 0.00 0.00 175.30 175.63 3i9c s VAL 85 N -2.88 5.04 -0.42 3.52 1.01 -1.26 0.02 120.40 125.42 3i9c s VAL 85 Ca 0.11 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3i9c s VAL 85 Cb -0.00 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 32.07 3i9c s VAL 85 CO 0.00 -0.87 0.61 -0.22 0.00 0.00 0.00 175.10 174.62 3i9c s LEU 86 N 2.13 4.51 0.59 3.92 2.96 -0.84 -4.92 118.68 127.03 3i9c s LEU 86 Ca 0.08 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 3i9c s LEU 86 Cb -0.25 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 3i9c s LEU 86 CO 0.06 -0.72 1.25 -2.16 -1.32 0.00 0.00 176.35 173.47 3i9c s PRO 87 N 2.70 2.92 0.00 0.98 0.04 -1.26 -1.14 135.00 139.23 3i9c s PRO 87 Ca 0.21 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3i9c s PRO 87 Cb -0.15 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3i9c s PRO 87 CO 0.18 -1.28 0.00 -2.13 0.04 0.00 0.00 177.00 173.81 3i9c n ARG 88 N -1.54 1.77 -3.32 4.56 3.00 -1.26 -4.68 116.66 115.19 3i9c n ARG 88 Ca 0.13 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.60 3i9c n ARG 88 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.89 3i9c n ARG 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9c s ALA 89 N -2.00 3.60 -0.05 5.13 0.00 -1.26 -3.86 121.76 123.32 3i9c s ALA 89 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3i9c s ALA 89 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3i9c s ALA 89 CO 0.00 0.36 0.00 0.54 0.00 0.00 0.00 175.76 176.66 3i9c n ARG 90 N 2.01 -0.04 -2.67 0.00 1.74 -1.26 -3.81 116.66 112.62 3i9c n ARG 90 Ca -0.11 0.40 -0.09 0.00 -0.77 0.00 0.00 57.85 57.28 3i9c n ARG 90 Cb 0.51 -3.81 0.02 0.00 -1.02 0.00 0.00 32.46 28.16 3i9c n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9c n GLY 91 N -2.92 0.25 0.03 -0.13 0.00 -1.25 -5.00 105.19 96.17 3i9c n GLY 91 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 3i9c n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i9c h ARG 92 N -0.71 -0.03 -4.14 1.61 2.43 -1.74 -3.47 114.38 108.33 3i9c h ARG 92 Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3i9c h ARG 92 Cb 1.15 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3i9c h ARG 92 CO 0.23 -0.02 -0.86 0.00 -1.51 0.00 0.00 179.97 177.81 3i9c n ALA 93 N -2.26 -2.14 -3.96 2.80 0.00 -1.26 -4.79 120.51 108.89 3i9c n ALA 93 Ca -0.00 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 3i9c n ALA 93 Cb 0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 3i9c n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i9c n ASP 94 N 1.67 2.46 -4.03 0.00 9.92 -0.30 -4.89 116.55 121.38 3i9c n ASP 94 Ca 0.00 -2.44 -0.33 0.00 -0.53 0.00 0.00 54.79 51.49 3i9c n ASP 94 Cb 0.00 0.04 -0.09 0.00 -0.64 0.00 0.00 41.12 40.43 3i9c n ASP 94 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3i9c s ILE 95 N -2.07 3.71 0.14 0.53 -4.36 -1.26 -1.99 121.20 115.91 3i9c s ILE 95 Ca 0.17 -3.87 -0.31 0.00 -0.26 0.00 0.00 60.65 56.38 3i9c s ILE 95 Cb -0.01 -3.36 -0.08 0.00 1.25 0.00 0.00 42.46 40.25 3i9c s ILE 95 CO 0.11 -1.02 1.37 -0.51 0.24 0.00 0.00 174.94 175.13 3i9c s ILE 96 N -1.18 3.25 -0.28 8.37 -1.16 0.10 -4.66 121.20 125.64 3i9c s ILE 96 Ca 0.25 0.93 -0.04 0.00 -0.51 0.00 0.00 60.65 61.28 3i9c s ILE 96 Cb -0.09 -3.60 0.03 0.00 0.61 0.00 0.00 42.46 39.41 3i9c s ILE 96 CO -0.12 0.09 0.01 -1.59 -2.81 0.00 0.00 174.94 170.53 3i9c s LYS 97 N 0.75 2.83 -0.10 3.50 -2.85 -1.26 0.20 119.74 122.80 3i9c s LYS 97 Ca 0.62 -1.01 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 3i9c s LYS 97 Cb -0.37 -3.20 -0.02 0.00 -2.06 0.00 0.00 37.83 32.18 3i9c s LYS 97 CO 0.33 -0.48 1.17 0.15 0.10 0.00 0.00 175.35 176.61 3i9c s LYS 98 N 1.38 4.33 0.82 1.78 1.02 0.37 -4.84 119.74 124.59 3i9c s LYS 98 Ca -0.00 1.59 -0.12 0.00 0.02 0.00 0.00 55.97 57.46 3i9c s LYS 98 Cb -0.18 -3.60 0.08 0.00 -0.52 0.00 0.00 37.83 33.61 3i9c s LYS 98 CO -0.01 -0.49 1.14 1.03 -0.92 0.00 0.00 175.35 176.10 3i9c s ARG 99 N 2.53 1.92 0.04 1.68 1.81 -1.26 0.75 118.95 126.42 3i9c s ARG 99 Ca 0.53 0.28 -0.00 0.00 -1.72 0.00 0.00 55.73 54.82 3i9c s ARG 99 Cb -0.22 -1.93 -0.03 0.00 -0.45 0.00 0.00 34.95 32.32 3i9c s ARG 99 CO 0.18 -1.66 -0.03 -0.08 -0.68 0.00 0.00 175.30 173.03 3i9c s THR 100 N -3.41 0.24 0.29 0.02 -1.32 -1.10 -3.22 115.64 107.14 3i9c s THR 100 Ca 0.62 -1.53 0.05 0.00 -1.21 0.00 0.00 61.69 59.61 3i9c s THR 100 Cb -0.12 -1.14 -0.06 0.00 -1.51 0.00 0.00 72.50 69.67 3i9c s THR 100 CO 0.51 -0.82 0.01 -0.44 -2.21 0.00 0.00 174.62 171.67 3i9c s SER 101 N -2.46 2.38 -0.29 8.08 0.01 -0.90 -2.01 113.70 118.51 3i9c s SER 101 Ca 0.00 -1.29 -0.03 0.00 1.31 0.00 0.00 55.95 55.95 3i9c s SER 101 Cb 0.02 -0.09 0.10 0.00 0.21 0.00 0.00 66.02 66.26 3i9c s SER 101 CO -0.07 -0.51 0.11 -1.00 0.41 0.00 0.00 173.24 172.19 3i9c s HIS 102 N -3.24 0.87 -0.14 2.43 3.76 0.48 0.06 115.29 119.51 3i9c s HIS 102 Ca 0.33 -1.20 -0.10 0.00 -0.15 0.00 0.00 55.06 53.93 3i9c s HIS 102 Cb 0.07 -1.22 -0.05 0.00 1.11 0.00 0.00 32.58 32.49 3i9c s HIS 102 CO 0.13 -0.84 0.20 0.42 -0.85 0.00 0.00 174.74 173.80 3i9c s ILE 103 N 1.91 5.39 -0.04 0.60 1.01 0.16 -1.49 121.20 128.73 3i9c s ILE 103 Ca 0.09 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3i9c s ILE 103 Cb -0.16 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3i9c s ILE 103 CO -0.31 0.52 -0.14 -0.89 0.00 0.00 0.00 174.94 174.12 3i9c s THR 104 N -0.34 1.19 -0.02 2.92 2.01 -0.92 0.18 115.64 120.67 3i9c s THR 104 Ca 0.14 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.58 3i9c s THR 104 Cb -0.12 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.36 3i9c s THR 104 CO 0.03 0.35 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.58 3i9c s VAL 105 N 0.15 0.40 -0.05 3.82 1.01 -0.08 -2.04 120.40 123.62 3i9c s VAL 105 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3i9c s VAL 105 Cb -0.11 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.91 3i9c s VAL 105 CO 0.02 0.14 -0.03 0.27 0.00 0.00 0.00 175.10 175.50 3i9c s ILE 106 N 0.27 0.45 0.54 2.22 -4.36 0.27 -2.03 121.20 118.56 3i9c s ILE 106 Ca -0.03 -0.03 0.07 0.00 -0.26 0.00 0.00 60.65 60.40 3i9c s ILE 106 Cb -0.07 -0.52 0.06 0.00 1.25 0.00 0.00 42.46 43.18 3i9c s ILE 106 CO -0.00 0.23 0.74 -0.76 0.24 0.00 0.00 174.94 175.38 3i9c s LEU 107 N 1.22 3.30 0.00 0.37 2.01 -0.66 -0.25 118.68 124.67 3i9c s LEU 107 Ca -0.06 -0.56 0.00 0.00 0.01 0.00 0.00 54.13 53.52 3i9c s LEU 107 Cb -0.14 -2.15 0.00 0.00 0.01 0.00 0.00 46.19 43.91 3i9c s LEU 107 CO -0.02 -1.19 0.00 0.61 1.01 0.00 0.00 176.35 176.77 3i9c n GLY 108 N -2.19 -1.16 0.00 -3.19 0.00 -1.23 -2.37 105.19 95.05 3i9c n GLY 108 Ca 0.12 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.07 3i9c n GLY 108 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9c n GLU 109 N 0.00 0.00 0.25 1.61 1.02 -1.26 -4.37 120.64 117.89 3i9c n GLU 109 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3i9c n GLU 109 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 3i9c n GLU 109 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i9c h LYS 110 N 0.00 -0.78 -2.43 3.49 1.63 -1.28 -3.47 116.57 113.73 3i9c h LYS 110 Ca 0.00 0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 3i9c h LYS 110 Cb 0.00 0.18 -0.20 0.00 -0.60 0.00 0.00 32.23 31.61 3i9c h LYS 110 CO 0.00 -0.52 -0.02 -3.38 -3.45 0.00 0.00 179.45 172.09 3i9c s HIS 111 N -5.18 -0.48 -0.47 1.91 -3.43 -1.26 -5.06 115.29 101.32 3i9c s HIS 111 Ca -0.14 0.87 0.06 0.00 -0.80 0.00 0.00 55.06 55.06 3i9c s HIS 111 Cb 0.03 0.27 0.40 0.00 -1.43 0.00 0.00 32.58 31.84 3i9c s HIS 111 CO 0.46 -0.48 1.04 0.41 -2.00 0.00 0.00 174.74 174.16 3i9c n GLY 112 N 1.33 5.49 0.22 -1.38 0.00 -1.26 -5.13 105.19 104.46 3i9c n GLY 112 Ca -0.19 -2.63 0.03 0.00 0.00 0.00 0.00 46.02 43.23 3i9c n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90