#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c n LYS 2 N 0.00 -0.44 0.00 0.03 5.02 -1.26 -3.99 118.16 117.52 3i9c n LYS 2 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3i9c n LYS 2 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3i9c n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9c n GLY 3 N -1.52 2.97 0.00 0.72 0.00 -1.24 -4.65 105.19 101.48 3i9c n GLY 3 Ca -0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3i9c n GLY 3 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i9c n ILE 4 N -1.54 0.00 -4.36 -0.61 -5.35 -1.23 -4.92 119.36 101.35 3i9c n ILE 4 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.21 3i9c n ILE 4 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 3i9c n ILE 4 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i9c s LEU 5 N 0.00 2.68 0.26 7.28 1.43 -1.26 -1.59 118.68 127.47 3i9c s LEU 5 Ca 0.00 -0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 52.17 3i9c s LEU 5 Cb 0.00 -1.39 0.07 0.00 0.03 0.00 0.00 46.19 44.89 3i9c s LEU 5 CO 0.00 0.11 0.94 -0.83 0.23 0.00 0.00 176.35 176.80 3i9c s GLY 6 N -2.74 0.17 0.54 -3.19 0.00 0.15 -3.43 107.32 98.82 3i9c s GLY 6 Ca 0.23 -0.45 0.05 0.00 0.00 0.00 0.00 44.72 44.55 3i9c s GLY 6 CO 0.12 1.23 0.38 -1.34 0.00 0.00 0.00 173.10 173.50 3i9c s VAL 7 N -2.35 1.67 -0.73 1.40 -7.23 -1.14 -0.06 120.40 111.97 3i9c s VAL 7 Ca 0.19 -1.52 0.24 0.00 -1.81 0.00 0.00 61.98 59.08 3i9c s VAL 7 Cb -0.03 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 3i9c s VAL 7 CO 0.07 0.00 1.27 1.17 -0.31 0.00 0.00 175.10 177.31 3i9c n LYS 8 N -1.73 0.22 0.00 4.82 3.00 -0.94 -4.36 118.16 119.17 3i9c n LYS 8 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 3i9c n LYS 8 Cb 0.64 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 34.06 3i9c n LYS 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3i9c n VAL 9 N -1.92 0.00 0.00 3.15 0.24 -1.26 -4.61 118.33 113.93 3i9c n VAL 9 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3i9c n VAL 9 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 3i9c n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i9c n GLY 10 N 0.00 1.78 3.65 7.63 0.00 -1.25 -3.97 105.19 113.03 3i9c n GLY 10 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3i9c n GLY 10 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i9c s MET 11 N 3.94 0.16 0.00 1.61 0.00 -1.21 -4.44 119.30 119.35 3i9c s MET 11 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 55.69 55.88 3i9c s MET 11 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 34.83 34.90 3i9c s MET 11 CO 0.00 -0.02 0.00 0.25 0.00 0.00 0.00 175.02 175.25 3i9c n THR 12 N 1.87 0.00 -4.11 10.11 -2.24 -1.26 -4.82 114.28 113.83 3i9c n THR 12 Ca -0.11 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 3i9c n THR 12 Cb 0.57 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 3i9c n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9c s ARG 13 N 0.81 0.66 0.27 -0.78 1.70 -1.26 0.21 118.95 120.57 3i9c s ARG 13 Ca 0.00 -0.93 0.04 0.00 -0.47 0.00 0.00 55.73 54.37 3i9c s ARG 13 Cb 0.00 -0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 33.93 3i9c s ARG 13 CO 0.00 0.07 0.01 0.96 -1.08 0.00 0.00 175.30 175.25 3i9c s ILE 14 N -1.84 1.19 -0.89 4.99 -4.36 -0.17 -4.89 121.20 115.24 3i9c s ILE 14 Ca -0.03 -2.04 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 3i9c s ILE 14 Cb -0.07 -2.51 0.25 0.00 1.25 0.00 0.00 42.46 41.38 3i9c s ILE 14 CO -0.00 -0.21 0.94 0.49 0.24 0.00 0.00 174.94 176.40 3i9c n PHE 15 N -0.54 3.68 -2.06 1.37 3.01 -1.26 -0.38 117.46 121.29 3i9c n PHE 15 Ca -0.04 -3.79 -0.37 0.00 1.01 0.00 0.00 57.45 54.26 3i9c n PHE 15 Cb 0.65 -1.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.04 3i9c n PHE 15 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i9c n ARG 16 N 1.75 2.30 -1.26 -1.08 0.00 -0.78 -4.24 116.66 113.35 3i9c n ARG 16 Ca 0.25 -2.67 0.00 0.00 -0.00 0.00 0.00 57.85 55.43 3i9c n ARG 16 Cb 0.37 -3.47 0.00 0.00 0.00 0.00 0.00 32.46 29.36 3i9c n ARG 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i9c n ASP 17 N 10.20 -1.68 -1.75 6.15 8.00 -1.26 -4.24 116.55 131.97 3i9c n ASP 17 Ca 0.48 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.85 3i9c n ASP 17 Cb 0.44 -0.84 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 3i9c n ASP 17 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i9c n ASP 18 N -0.81 -3.74 -3.75 -2.24 9.92 -1.26 -4.92 116.55 109.76 3i9c n ASP 18 Ca 0.00 0.27 -0.15 0.00 -0.53 0.00 0.00 54.79 54.38 3i9c n ASP 18 Cb 0.40 -3.36 -0.16 0.00 -0.64 0.00 0.00 41.12 37.36 3i9c n ASP 18 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3i9c s ARG 19 N -3.79 0.00 0.09 -1.24 0.52 -1.26 -5.13 118.95 108.14 3i9c s ARG 19 Ca 0.00 0.29 -0.26 0.00 -0.52 0.00 0.00 55.73 55.24 3i9c s ARG 19 Cb 0.00 -0.25 -0.06 0.00 0.52 0.00 0.00 34.95 35.15 3i9c s ARG 19 CO 0.00 -0.19 0.80 0.00 0.02 0.00 0.00 175.30 175.93 3i9c s ALA 20 N 1.30 3.36 -0.02 2.13 0.00 -1.26 -1.87 121.76 125.40 3i9c s ALA 20 Ca -0.07 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 3i9c s ALA 20 Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3i9c s ALA 20 CO -0.04 0.10 0.06 0.14 0.00 0.00 0.00 175.76 176.02 3i9c s VAL 21 N -0.30 0.02 0.44 0.00 -7.23 0.49 -4.95 120.40 108.86 3i9c s VAL 21 Ca 0.39 -0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 60.20 3i9c s VAL 21 Cb -0.22 -0.14 -0.08 0.00 0.56 0.00 0.00 36.38 36.51 3i9c s VAL 21 CO 0.25 -0.07 1.17 -2.16 -0.31 0.00 0.00 175.10 173.98 3i9c s PRO 22 N -0.20 3.86 0.00 4.82 0.04 -1.26 -1.00 135.00 141.27 3i9c s PRO 22 Ca -0.02 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3i9c s PRO 22 Cb -0.02 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.01 3i9c s PRO 22 CO 0.00 -0.47 0.00 1.33 0.04 0.00 0.00 177.00 177.90 3i9c n VAL 23 N -0.28 0.00 0.00 -0.36 0.24 0.13 -3.55 118.33 114.51 3i9c n VAL 23 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 3i9c n VAL 23 Cb 0.47 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3i9c n VAL 23 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i9c n THR 24 N -1.75 0.00 -0.47 3.34 -2.24 -1.25 -2.25 114.28 109.67 3i9c n THR 24 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3i9c n THR 24 Cb 0.14 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3i9c n THR 24 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i9c n VAL 25 N 0.00 -0.23 0.00 2.28 0.31 -1.25 -3.33 118.33 116.11 3i9c n VAL 25 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 3i9c n VAL 25 Cb 0.00 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 3i9c n VAL 25 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i9c n ILE 26 N -2.85 0.00 -0.97 2.52 5.41 -0.80 -4.70 119.36 117.97 3i9c n ILE 26 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3i9c n ILE 26 Cb 0.22 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 3i9c n ILE 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3i9c n LEU 27 N -2.42 -1.30 -4.36 1.39 7.94 -1.24 -4.03 117.00 112.97 3i9c n LEU 27 Ca 0.00 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.44 3i9c n LEU 27 Cb 0.00 -0.65 -0.01 0.00 0.53 0.00 0.00 43.42 43.29 3i9c n LEU 27 CO 0.00 0.00 0.70 0.00 -1.11 0.00 0.00 177.39 176.98 3i9c s ALA 28 N -0.65 4.13 0.61 1.96 0.00 -1.16 -2.88 121.76 123.77 3i9c s ALA 28 Ca 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 51.96 48.53 3i9c s ALA 28 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3i9c s ALA 28 CO 0.00 -2.42 -0.24 0.41 0.00 0.00 0.00 175.76 173.51 3i9c n GLY 29 N 3.90 -1.40 2.43 0.00 0.00 -1.22 -4.61 105.19 104.29 3i9c n GLY 29 Ca 0.20 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 3i9c n GLY 29 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i9c n PRO 30 N 1.90 1.83 -1.64 1.61 -0.04 -1.26 -4.75 135.00 132.65 3i9c n PRO 30 Ca -0.00 -1.16 -0.54 0.00 -0.04 0.00 0.00 63.50 61.76 3i9c n PRO 30 Cb 0.14 -2.21 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 3i9c n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9c n PRO 32 N 3.63 3.18 -2.79 0.00 -0.04 -1.26 -1.69 135.00 136.03 3i9c n PRO 32 Ca 0.22 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.65 3i9c n PRO 32 Cb 0.17 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.64 3i9c n PRO 32 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9c s VAL 33 N 0.00 -0.75 0.00 0.52 0.11 -1.25 -3.93 120.40 115.09 3i9c s VAL 33 Ca 0.00 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 3i9c s VAL 33 Cb 0.00 0.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.85 3i9c s VAL 33 CO 0.00 0.00 0.56 0.52 -3.33 0.00 0.00 175.10 172.85 3i9c n VAL 34 N 3.06 0.00 -3.38 2.04 0.31 -1.04 -4.82 118.33 114.50 3i9c n VAL 34 Ca 0.15 1.06 -0.13 0.00 -0.01 0.00 0.00 64.34 65.40 3i9c n VAL 34 Cb 0.59 -2.05 0.02 0.00 -0.91 0.00 0.00 33.84 31.48 3i9c n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i9c n GLN 35 N -0.67 0.90 -2.96 5.55 6.02 -1.26 -4.96 117.38 120.00 3i9c n GLN 35 Ca 0.00 -1.92 -0.14 0.00 -0.01 0.00 0.00 57.00 54.93 3i9c n GLN 35 Cb 0.00 0.04 -0.01 0.00 1.02 0.00 0.00 30.24 31.29 3i9c n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i9c n ARG 36 N -1.49 0.64 -0.94 -1.09 1.74 -1.26 -3.92 116.66 110.34 3i9c n ARG 36 Ca 0.04 -2.40 -0.34 0.00 -0.77 0.00 0.00 57.85 54.38 3i9c n ARG 36 Cb 0.36 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 3i9c n ARG 36 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i9c n ARG 37 N 1.97 0.00 -4.91 5.56 5.12 -0.31 -4.79 116.66 119.30 3i9c n ARG 37 Ca 0.17 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.81 3i9c n ARG 37 Cb 0.57 -0.78 -0.15 0.00 -1.16 0.00 0.00 32.46 30.94 3i9c n ARG 37 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3i9c s THR 38 N -0.38 1.82 -0.99 0.55 2.01 -1.26 -2.97 115.64 114.42 3i9c s THR 38 Ca 0.49 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 61.36 3i9c s THR 38 Cb -0.70 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.27 3i9c s THR 38 CO 0.37 0.38 0.62 -0.81 -0.69 0.00 0.00 174.62 174.49 3i9c n PRO 39 N 2.14 0.00 0.00 4.92 -0.04 -1.26 0.44 135.00 141.20 3i9c n PRO 39 Ca -0.16 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3i9c n PRO 39 Cb 0.53 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3i9c n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i9c n GLU 40 N -1.12 0.00 -0.21 0.54 4.71 -1.26 -3.89 120.64 119.41 3i9c n GLU 40 Ca 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 57.16 57.46 3i9c n GLU 40 Cb 0.09 0.00 0.67 0.00 -1.01 0.00 0.00 31.44 31.19 3i9c n GLU 40 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3i9c h LYS 41 N 0.00 0.00 0.00 3.49 3.64 -1.97 -3.10 116.57 118.63 3i9c h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i9c h LYS 41 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i9c h LYS 41 CO 0.00 0.00 -0.57 -0.25 -2.27 0.00 0.00 179.45 176.36 3i9c n ASP 42 N -3.75 1.89 0.00 4.20 8.00 0.27 -4.83 116.55 122.33 3i9c n ASP 42 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3i9c n ASP 42 Cb 1.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 3i9c n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i9c n GLY 43 N 2.60 1.12 0.00 0.44 0.00 1.54 -4.91 105.19 105.98 3i9c n GLY 43 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3i9c n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i9c n TYR 44 N -2.20 0.00 -0.90 1.61 4.11 -1.23 -4.82 117.16 113.73 3i9c n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3i9c n TYR 44 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.43 3i9c n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3i9c n THR 45 N -0.09 -4.83 0.00 -3.48 -1.04 -1.25 -4.61 114.28 98.98 3i9c n THR 45 Ca 0.00 1.10 0.00 0.00 -2.04 0.00 0.00 64.05 63.11 3i9c n THR 45 Cb 0.00 -2.74 0.00 0.00 -1.82 0.00 0.00 70.33 65.77 3i9c n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i9c n ALA 46 N 0.37 0.00 -1.00 2.41 0.00 -1.16 -1.98 120.51 119.15 3i9c n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9c n ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9c n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9c n VAL 47 N -0.45 0.00 0.00 0.00 0.31 -0.86 -1.16 118.33 116.17 3i9c n VAL 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i9c n VAL 47 Cb 0.00 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 3i9c n VAL 47 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3i9c n GLN 48 N 0.00 0.00 0.00 5.55 7.27 -1.25 -4.47 117.38 124.48 3i9c n GLN 48 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i9c n GLN 48 Cb 0.00 -0.02 0.00 0.00 2.41 0.00 0.00 30.24 32.63 3i9c n GLN 48 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i9c n LEU 49 N -2.35 0.00 0.00 1.69 4.77 -1.26 -2.45 117.00 117.40 3i9c n LEU 49 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i9c n LEU 49 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i9c n LEU 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3i9c n GLY 50 N 0.00 -2.41 1.35 -0.72 0.00 -1.26 -2.49 105.19 99.67 3i9c n GLY 50 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3i9c n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i9c n PHE 51 N -0.39 -1.61 -1.22 1.61 7.35 -1.26 -3.67 117.46 118.26 3i9c n PHE 51 Ca 0.00 0.96 0.00 0.00 -0.76 0.00 0.00 57.45 57.65 3i9c n PHE 51 Cb 0.00 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.23 3i9c n PHE 51 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3i9c n LEU 52 N 0.61 -1.63 -0.34 -2.13 4.77 -1.26 -3.87 117.00 113.15 3i9c n LEU 52 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3i9c n LEU 52 Cb 0.00 -0.81 0.19 0.00 -2.33 0.00 0.00 43.42 40.47 3i9c n LEU 52 CO 0.00 0.00 1.22 1.55 -1.33 0.00 0.00 177.39 178.83 3i9c h PRO 53 N 0.00 0.97 -1.62 3.23 0.13 -1.92 0.31 132.00 133.10 3i9c h PRO 53 Ca 0.00 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 64.84 3i9c h PRO 53 Cb 0.00 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 30.91 3i9c h PRO 53 CO 0.00 0.65 0.23 1.04 -0.23 0.00 0.00 178.00 179.68 3i9c n GLN 54 N -4.61 0.00 0.00 0.86 1.13 -1.26 -4.42 117.38 109.08 3i9c n GLN 54 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 3i9c n GLN 54 Cb 0.27 -0.40 0.00 0.00 0.11 0.00 0.00 30.24 30.21 3i9c n GLN 54 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i9c n ASN 55 N 1.30 0.00 -3.15 1.08 3.02 -1.26 -3.54 115.26 112.71 3i9c n ASN 55 Ca 0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.33 3i9c n ASN 55 Cb -0.01 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 3i9c n ASN 55 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3i9c n PRO 56 N 0.00 3.15 -3.12 3.52 -0.02 -1.26 -4.62 135.00 132.65 3i9c n PRO 56 Ca 0.00 -1.90 -0.15 0.00 -2.02 0.00 0.00 63.50 59.43 3i9c n PRO 56 Cb 0.00 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 30.86 3i9c n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i9c n LYS 57 N 3.61 -1.95 -2.82 -0.52 4.76 -1.26 -4.82 118.16 115.16 3i9c n LYS 57 Ca 0.67 1.70 -0.43 0.00 -2.87 0.00 0.00 58.31 57.39 3i9c n LYS 57 Cb 0.27 -3.33 -0.04 0.00 -1.84 0.00 0.00 35.03 30.10 3i9c n LYS 57 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3i9c s ARG 58 N -1.99 3.19 0.00 1.97 1.81 -1.26 -4.76 118.95 117.90 3i9c s ARG 58 Ca 0.19 -0.88 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 3i9c s ARG 58 Cb -0.03 -4.34 0.00 0.00 -0.45 0.00 0.00 34.95 30.13 3i9c s ARG 58 CO 0.63 -1.87 0.00 0.28 -0.68 0.00 0.00 175.30 173.66 3i9c n VAL 59 N 5.97 0.00 0.00 3.52 0.31 -1.26 -4.70 118.33 122.17 3i9c n VAL 59 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3i9c n VAL 59 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 3i9c n VAL 59 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3i9c n ASN 60 N 0.00 0.00 0.00 4.52 6.94 -1.26 -4.91 115.26 120.55 3i9c n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i9c n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3i9c n ASN 60 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3i9c n ARG 61 N 0.00 0.00 -0.67 -3.83 5.12 -1.26 -4.80 116.66 111.22 3i9c n ARG 61 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 3i9c n ARG 61 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 3i9c n ARG 61 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i9c n PRO 62 N 0.00 1.32 0.00 5.56 -0.04 -1.26 -3.94 135.00 136.63 3i9c n PRO 62 Ca 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 3i9c n PRO 62 Cb 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3i9c n PRO 62 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3i9c n LEU 63 N 1.49 0.16 0.00 1.53 0.00 -1.26 -4.96 117.00 113.96 3i9c n LEU 63 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 56.01 56.08 3i9c n LEU 63 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 43.42 43.91 3i9c n LEU 63 CO 0.08 0.04 -0.03 0.29 0.00 0.00 0.00 177.39 177.77 3i9c n LYS 64 N -0.34 -0.32 -0.10 1.96 5.02 -1.25 -2.88 118.16 120.25 3i9c n LYS 64 Ca 0.00 0.21 0.08 0.00 -2.02 0.00 0.00 58.31 56.58 3i9c n LYS 64 Cb 0.04 -0.39 0.30 0.00 -0.02 0.00 0.00 35.03 34.96 3i9c n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9c n GLY 65 N -0.51 0.16 0.02 0.72 0.00 -1.26 -4.95 105.19 99.38 3i9c n GLY 65 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3i9c n GLY 65 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i9c n HIS 66 N 0.20 0.00 0.69 1.61 8.25 -1.14 -4.54 115.22 120.29 3i9c n HIS 66 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3i9c n HIS 66 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3i9c n HIS 66 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3i9c n PHE 67 N 0.13 0.00 0.00 4.41 -1.74 -1.26 -4.88 117.46 114.11 3i9c n PHE 67 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3i9c n PHE 67 Cb 0.00 -0.03 0.00 0.00 1.52 0.00 0.00 39.48 40.97 3i9c n PHE 67 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3i9c n ALA 68 N -0.00 0.00 0.00 1.98 0.00 -1.26 -4.84 120.51 116.38 3i9c n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9c n ALA 68 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3i9c n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i9c n LYS 69 N 0.00 0.00 0.00 0.00 3.00 -1.26 0.16 118.16 120.06 3i9c n LYS 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i9c n LYS 69 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 34.69 3i9c n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9c n ALA 70 N 0.00 2.73 0.00 3.14 0.00 -1.26 -4.99 120.51 120.13 3i9c n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9c n ALA 70 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3i9c n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9c n GLY 71 N 1.99 0.00 0.08 0.00 0.00 0.42 -4.28 105.19 103.39 3i9c n GLY 71 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3i9c n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9c n VAL 72 N 0.00 0.64 -1.74 1.61 0.31 -1.26 -4.87 118.33 113.02 3i9c n VAL 72 Ca 0.00 0.61 0.00 0.00 -0.01 0.00 0.00 64.34 64.94 3i9c n VAL 72 Cb 0.00 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 3i9c n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i9c n GLU 73 N -1.56 -4.97 -2.50 5.55 2.13 -1.26 -4.60 120.64 113.43 3i9c n GLU 73 Ca -0.00 3.69 -0.40 0.00 0.66 0.00 0.00 57.16 61.10 3i9c n GLU 73 Cb 0.37 -4.14 -0.04 0.00 0.27 0.00 0.00 31.44 27.90 3i9c n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3i9c s PRO 74 N -3.39 4.65 0.53 5.31 0.04 -1.23 -4.37 135.00 136.53 3i9c s PRO 74 Ca 0.00 1.77 0.19 0.00 0.04 0.00 0.00 61.00 63.00 3i9c s PRO 74 Cb 0.00 -3.21 1.34 0.00 0.04 0.00 0.00 34.50 32.67 3i9c s PRO 74 CO 0.00 0.21 2.12 0.28 0.04 0.00 0.00 177.00 179.65 3i9c h VAL 75 N 3.20 0.90 -3.62 -0.36 2.07 -0.43 -3.22 116.25 114.79 3i9c h VAL 75 Ca -0.46 0.00 -0.75 0.00 0.82 0.00 0.00 66.70 66.30 3i9c h VAL 75 Cb 1.21 0.94 -0.29 0.00 -1.52 0.00 0.00 31.29 31.63 3i9c h VAL 75 CO 0.68 0.00 -0.11 -0.13 0.02 0.00 0.00 177.57 178.03 3i9c s ARG 76 N -5.02 3.14 -0.98 1.57 3.00 -1.25 -5.00 118.95 114.41 3i9c s ARG 76 Ca -0.05 -2.33 -0.17 0.00 0.00 0.00 0.00 55.73 53.18 3i9c s ARG 76 Cb 0.17 -4.17 -0.29 0.00 0.00 0.00 0.00 34.95 30.66 3i9c s ARG 76 CO 0.67 -1.25 2.34 -0.89 0.00 0.00 0.00 175.30 176.17 3i9c n ILE 77 N 4.07 -0.00 0.00 1.52 5.41 -1.22 -4.68 119.36 124.46 3i9c n ILE 77 Ca 0.07 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3i9c n ILE 77 Cb 0.43 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 3i9c n ILE 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i9c n LEU 78 N 7.82 0.00 0.00 1.39 -0.00 -1.24 -5.04 117.00 119.93 3i9c n LEU 78 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 3i9c n LEU 78 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 3i9c n LEU 78 CO 1.02 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.95 3i9c n ARG 79 N 0.00 1.72 0.00 1.47 3.00 -1.03 -4.97 116.66 116.85 3i9c n ARG 79 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3i9c n ARG 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i9c n ARG 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3i9c n GLU 80 N 0.00 0.40 0.00 5.56 1.02 -1.26 -4.36 120.64 122.01 3i9c n GLU 80 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3i9c n GLU 80 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 3i9c n GLU 80 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3i9c n ILE 81 N -0.42 0.00 0.00 -3.67 2.08 -1.26 -2.03 119.36 114.07 3i9c n ILE 81 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i9c n ILE 81 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i9c n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3i9c n ARG 82 N 0.00 0.00 -3.79 0.38 3.00 -1.26 -4.89 116.66 110.10 3i9c n ARG 82 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 3i9c n ARG 82 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 3i9c n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i9c n ASP 83 N -0.17 -3.06 -3.91 6.15 9.92 -0.84 -3.66 116.55 120.99 3i9c n ASP 83 Ca 0.00 -0.67 -0.21 0.00 -0.53 0.00 0.00 54.79 53.38 3i9c n ASP 83 Cb 0.00 -2.55 -0.16 0.00 -0.64 0.00 0.00 41.12 37.77 3i9c n ASP 83 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3i9c s PHE 84 N -3.02 0.91 -0.14 1.24 5.99 -1.26 -3.45 117.98 118.24 3i9c s PHE 84 Ca 0.56 -0.29 -0.04 0.00 0.00 0.00 0.00 56.93 57.16 3i9c s PHE 84 Cb -0.31 -0.77 0.06 0.00 0.00 0.00 0.00 43.02 42.00 3i9c s PHE 84 CO 0.69 -0.23 0.12 1.21 -0.00 0.00 0.00 175.22 177.01 3i9c s ASN 85 N 0.98 1.71 0.26 6.13 3.84 -1.26 -3.05 114.94 123.54 3i9c s ASN 85 Ca -0.10 -0.27 0.01 0.00 0.21 0.00 0.00 52.86 52.71 3i9c s ASN 85 Cb -0.14 -0.04 0.02 0.00 -0.55 0.00 0.00 41.25 40.54 3i9c s ASN 85 CO 0.00 -0.31 0.14 -0.81 -2.79 0.00 0.00 177.10 173.33 3i9c n PRO 86 N 5.30 0.73 -0.62 0.43 -0.04 -1.26 -4.93 135.00 134.61 3i9c n PRO 86 Ca -0.06 -0.46 -0.07 0.00 -0.04 0.00 0.00 63.50 62.87 3i9c n PRO 86 Cb 0.49 -0.07 0.02 0.00 -0.04 0.00 0.00 33.50 33.90 3i9c n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i9c n GLU 87 N -1.24 1.33 -0.00 0.54 0.28 -1.26 -4.92 120.64 115.37 3i9c n GLU 87 Ca 0.03 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 3i9c n GLU 87 Cb 0.09 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.70 3i9c n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i9c n GLY 88 N 0.90 0.00 0.99 -1.84 0.00 -1.26 -4.79 105.19 99.19 3i9c n GLY 88 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3i9c n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i9c n ASP 89 N 0.14 -0.78 -1.55 1.61 2.03 -1.26 -5.05 116.55 111.69 3i9c n ASP 89 Ca 0.00 -1.55 -0.00 0.00 0.52 0.00 0.00 54.79 53.76 3i9c n ASP 89 Cb 0.00 0.25 -0.00 0.00 -0.72 0.00 0.00 41.12 40.65 3i9c n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3i9c n THR 90 N -0.09 -2.72 -1.65 5.18 -1.04 -1.26 -4.92 114.28 107.78 3i9c n THR 90 Ca -0.21 0.09 -0.44 0.00 -2.04 0.00 0.00 64.05 61.45 3i9c n THR 90 Cb 0.61 -3.96 -0.04 0.00 -1.82 0.00 0.00 70.33 65.12 3i9c n THR 90 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3i9c n VAL 91 N 0.04 0.66 0.00 12.58 3.14 -0.68 -4.86 118.33 129.21 3i9c n VAL 91 Ca -0.01 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 3i9c n VAL 91 Cb 0.01 -2.21 0.00 0.00 -1.06 0.00 0.00 33.84 30.58 3i9c n VAL 91 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i9c n THR 92 N 5.75 0.00 0.10 1.55 -2.24 -1.26 -3.55 114.28 114.63 3i9c n THR 92 Ca 0.22 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.02 3i9c n THR 92 Cb 0.38 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 3i9c n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i9c n VAL 93 N 0.00 0.00 0.47 2.28 0.31 -1.26 -4.69 118.33 115.44 3i9c n VAL 93 Ca 0.00 -0.45 -0.05 0.00 -0.01 0.00 0.00 64.34 63.83 3i9c n VAL 93 Cb 0.00 1.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.98 3i9c n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9c n GLU 94 N -0.99 1.34 0.13 5.55 1.02 -1.26 -3.66 120.64 122.76 3i9c n GLU 94 Ca 0.00 -0.73 0.13 0.00 -0.02 0.00 0.00 57.16 56.54 3i9c n GLU 94 Cb 0.04 -1.31 0.28 0.00 -0.02 0.00 0.00 31.44 30.43 3i9c n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i9c h ILE 95 N 0.29 0.00 -3.82 -3.67 5.03 -1.96 -3.44 117.51 109.94 3i9c h ILE 95 Ca 0.14 -0.64 -0.68 0.00 -0.12 0.00 0.00 64.86 63.56 3i9c h ILE 95 Cb 1.41 1.53 -0.30 0.00 -3.03 0.00 0.00 36.82 36.44 3i9c h ILE 95 CO 0.26 0.00 -0.86 -0.36 -0.68 0.00 0.00 178.15 176.51 3i9c s PHE 96 N -3.15 2.53 -0.06 1.37 0.08 -1.24 -5.05 117.98 112.46 3i9c s PHE 96 Ca 0.08 -0.71 0.05 0.00 0.12 0.00 0.00 56.93 56.47 3i9c s PHE 96 Cb 0.11 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 3i9c s PHE 96 CO 0.65 -0.21 -0.19 0.15 -0.10 0.00 0.00 175.22 175.52 3i9c s LYS 97 N -0.08 2.57 -0.45 0.44 1.02 -1.26 -4.87 119.74 117.12 3i9c s LYS 97 Ca -0.05 -0.79 -0.43 0.00 0.02 0.00 0.00 55.97 54.71 3i9c s LYS 97 Cb -0.14 -2.29 -0.18 0.00 -0.52 0.00 0.00 37.83 34.69 3i9c s LYS 97 CO 0.04 0.49 1.90 -2.30 -0.92 0.00 0.00 175.35 174.57 3i9c n PRO 98 N 2.68 0.32 0.00 -1.68 -0.02 -1.26 -1.80 135.00 133.23 3i9c n PRO 98 Ca -0.17 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3i9c n PRO 98 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3i9c n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9c n GLY 99 N 5.68 1.94 3.75 -1.23 0.00 -0.40 -4.98 105.19 109.94 3i9c n GLY 99 Ca 0.41 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9c s GLU 100 N 0.00 4.72 0.08 1.61 2.02 -0.75 -4.74 118.70 121.64 3i9c s GLU 100 Ca 0.00 1.62 -0.21 0.00 0.02 0.00 0.00 54.97 56.40 3i9c s GLU 100 Cb 0.00 -3.27 -0.07 0.00 0.10 0.00 0.00 34.13 30.90 3i9c s GLU 100 CO 0.00 0.30 0.61 1.03 0.02 0.00 0.00 175.26 177.23 3i9c s ARG 101 N -0.93 4.29 0.11 1.61 1.81 -1.26 -2.38 118.95 122.20 3i9c s ARG 101 Ca 0.44 0.82 -0.00 0.00 -1.72 0.00 0.00 55.73 55.27 3i9c s ARG 101 Cb -0.28 -3.26 -0.04 0.00 -0.45 0.00 0.00 34.95 30.92 3i9c s ARG 101 CO 0.35 0.58 0.00 0.14 -0.68 0.00 0.00 175.30 175.69 3i9c s VAL 102 N -0.96 0.33 -0.09 3.52 -7.23 0.77 -3.64 120.40 113.10 3i9c s VAL 102 Ca 0.31 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 3i9c s VAL 102 Cb -0.20 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3i9c s VAL 102 CO 0.20 -0.70 -0.12 -1.81 -0.31 0.00 0.00 175.10 172.37 3i9c s ASP 103 N -3.03 4.19 -0.09 4.85 1.01 -0.87 0.42 116.67 123.16 3i9c s ASP 103 Ca 0.17 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.24 3i9c s ASP 103 Cb 0.07 -1.26 -0.02 0.00 1.01 0.00 0.00 42.92 42.72 3i9c s ASP 103 CO -0.03 0.27 -0.14 -0.69 0.21 0.00 0.00 175.17 174.79 3i9c s VAL 104 N -0.25 3.04 -0.17 -1.27 1.01 -0.96 -2.10 120.40 119.69 3i9c s VAL 104 Ca 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3i9c s VAL 104 Cb -0.13 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3i9c s VAL 104 CO 0.03 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.60 3i9c s THR 105 N -0.24 2.11 0.31 3.92 2.01 -1.10 -1.40 115.64 121.25 3i9c s THR 105 Ca 0.01 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 3i9c s THR 105 Cb -0.13 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 3i9c s THR 105 CO 0.03 0.54 0.43 -0.83 -0.69 0.00 0.00 174.62 174.09 3i9c s GLY 106 N 1.17 1.37 -0.18 4.40 0.00 0.27 -2.68 107.32 111.66 3i9c s GLY 106 Ca 0.02 -1.46 -0.10 0.00 0.00 0.00 0.00 44.72 43.18 3i9c s GLY 106 CO -0.10 -1.01 0.15 -1.59 0.00 0.00 0.00 173.10 170.56 3i9c s THR 107 N -3.37 5.40 0.43 0.90 2.01 -1.25 0.24 115.64 120.01 3i9c s THR 107 Ca 0.31 0.24 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 3i9c s THR 107 Cb 0.01 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 3i9c s THR 107 CO 0.18 0.45 1.06 -0.94 -0.69 0.00 0.00 174.62 174.69 3i9c s SER 108 N 0.21 6.58 0.13 3.53 1.04 -0.54 -1.18 113.70 123.46 3i9c s SER 108 Ca 0.10 2.05 -0.35 0.00 0.48 0.00 0.00 55.95 58.23 3i9c s SER 108 Cb -0.11 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.27 3i9c s SER 108 CO -0.00 -0.62 1.41 0.29 0.98 0.00 0.00 173.24 175.30 3i9c n LYS 109 N -0.33 1.54 -2.34 4.02 5.02 -1.26 0.12 118.16 124.93 3i9c n LYS 109 Ca 0.06 0.56 -0.38 0.00 -2.02 0.00 0.00 58.31 56.53 3i9c n LYS 109 Cb 0.50 -2.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.24 3i9c n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i9c s GLY 110 N 0.59 0.68 0.00 0.72 0.00 -1.26 -2.79 107.32 105.26 3i9c s GLY 110 Ca 0.81 -1.41 0.22 0.00 0.00 0.00 0.00 44.72 44.35 3i9c s GLY 110 CO 0.44 2.99 1.79 0.54 0.00 0.00 0.00 173.10 178.86 3i9c n ARG 111 N 9.14 0.88 0.00 2.90 1.74 -0.75 -4.88 116.66 125.69 3i9c n ARG 111 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3i9c n ARG 111 Cb 0.50 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 3i9c n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9c n GLY 112 N 0.69 2.66 3.46 -0.13 0.00 -1.14 -4.22 105.19 106.51 3i9c n GLY 112 Ca 0.17 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3i9c n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i9c s PHE 113 N 0.00 2.93 -0.28 1.61 5.99 -1.25 -0.46 117.98 126.51 3i9c s PHE 113 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 56.93 55.73 3i9c s PHE 113 Cb 0.00 -4.33 -0.04 0.00 0.00 0.00 0.00 43.02 38.65 3i9c s PHE 113 CO 0.00 -1.59 0.17 0.00 -0.00 0.00 0.00 175.22 173.80 3i9c s ALA 114 N 3.34 3.44 1.10 11.12 0.00 0.22 -4.89 121.76 136.09 3i9c s ALA 114 Ca 0.31 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 3i9c s ALA 114 Cb -0.08 -2.42 0.19 0.00 0.00 0.00 0.00 23.12 20.82 3i9c s ALA 114 CO -0.04 -0.60 0.69 0.41 0.00 0.00 0.00 175.76 176.22 3i9c n GLY 115 N 5.03 -1.91 3.77 0.00 0.00 -1.26 -2.65 105.19 108.18 3i9c n GLY 115 Ca -0.14 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 3i9c n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c s VAL 116 N -2.39 3.10 0.00 1.61 0.11 -1.26 -2.29 120.40 119.28 3i9c s VAL 116 Ca 0.64 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.49 3i9c s VAL 116 Cb -0.21 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 3i9c s VAL 116 CO 0.65 -0.03 0.00 0.80 -3.33 0.00 0.00 175.10 173.19 3i9c n MET 117 N -0.61 0.00 0.00 1.54 0.00 -1.26 -4.67 117.12 112.12 3i9c n MET 117 Ca 0.08 0.28 0.00 0.00 -0.00 0.00 0.00 57.70 58.06 3i9c n MET 117 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.23 3i9c n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3i9c n LYS 118 N -1.19 0.00 -0.06 2.12 0.00 -1.25 -4.78 118.16 113.00 3i9c n LYS 118 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.27 3i9c n LYS 118 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.50 3i9c n LYS 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3i9c h ARG 119 N 0.00 0.00 -0.26 1.64 1.12 -1.70 -3.41 114.38 111.77 3i9c h ARG 119 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3i9c h ARG 119 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 3i9c h ARG 119 CO 0.00 0.16 0.00 0.91 -3.11 0.00 0.00 179.97 177.93 3i9c n TRP 120 N -4.69 0.68 -0.72 2.20 7.02 -1.26 -4.98 117.44 115.68 3i9c n TRP 120 Ca -0.05 -0.74 0.00 0.00 -1.02 0.00 0.00 57.50 55.68 3i9c n TRP 120 Cb 0.17 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 3i9c n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i9c n ASN 121 N -0.24 -1.28 -4.05 -0.99 4.13 -1.26 -4.71 115.26 106.87 3i9c n ASN 121 Ca 0.17 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.07 3i9c n ASN 121 Cb 0.69 -2.05 0.05 0.00 -1.54 0.00 0.00 39.78 36.93 3i9c n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3i9c n PHE 122 N -2.07 -4.81 0.86 3.10 3.01 -1.26 -4.79 117.46 111.50 3i9c n PHE 122 Ca 0.00 -0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 3i9c n PHE 122 Cb 0.09 -1.47 -0.07 0.00 -0.01 0.00 0.00 39.48 38.02 3i9c n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i9c n ALA 123 N -2.60 4.01 -0.99 4.37 0.00 -1.26 -4.39 120.51 119.64 3i9c n ALA 123 Ca -0.01 -0.55 0.11 0.00 0.00 0.00 0.00 53.44 53.00 3i9c n ALA 123 Cb 0.56 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 3i9c n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9c n GLY 124 N 1.38 -1.40 2.69 0.00 0.00 -1.26 -4.85 105.19 101.76 3i9c n GLY 124 Ca 0.05 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 3i9c n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 125 N -3.13 -2.51 3.75 -0.02 0.00 -1.19 -4.94 105.19 97.15 3i9c n GLY 125 Ca -0.01 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3i9c n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i9c s PRO 126 N -4.93 4.38 0.52 1.61 0.02 -1.26 -4.67 135.00 130.66 3i9c s PRO 126 Ca 0.54 2.13 0.27 0.00 0.02 0.00 0.00 61.00 63.97 3i9c s PRO 126 Cb -0.05 -3.14 1.41 0.00 0.02 0.00 0.00 34.50 32.75 3i9c s PRO 126 CO 0.41 -0.23 2.05 -0.44 -0.33 0.00 0.00 177.00 178.47 3i9c h ASP 127 N 4.54 0.00 0.00 2.53 5.19 -1.95 -3.42 116.42 123.31 3i9c h ASP 127 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 3i9c h ASP 127 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3i9c h ASP 127 CO 0.73 0.12 0.00 -0.24 -3.12 0.00 0.00 179.24 176.73 3i9c n SER 128 N -3.61 0.00 0.00 6.45 2.88 -1.26 -4.90 113.62 113.18 3i9c n SER 128 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3i9c n SER 128 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3i9c n SER 128 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3i9c n HIS 129 N 0.00 0.00 -0.03 0.66 8.25 -1.26 0.12 115.22 122.96 3i9c n HIS 129 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3i9c n HIS 129 Cb 0.00 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.97 3i9c n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i9c n GLY 130 N 0.00 -0.82 6.16 -1.41 0.00 -1.26 -5.01 105.19 102.85 3i9c n GLY 130 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i9c n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c n ALA 131 N -2.76 0.00 -0.20 4.61 0.00 0.32 -4.97 120.51 117.51 3i9c n ALA 131 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3i9c n ALA 131 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 3i9c n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i9c n HIS 132 N 6.92 0.00 -2.55 0.00 -0.00 -1.26 -4.82 115.22 113.51 3i9c n HIS 132 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 3i9c n HIS 132 Cb 0.00 -0.20 -0.00 0.00 -0.00 0.00 0.00 29.99 29.78 3i9c n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i9c n LYS 133 N -0.09 -2.39 -0.24 1.57 5.02 -1.26 -4.82 118.16 115.96 3i9c n LYS 133 Ca 0.00 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3i9c n LYS 133 Cb 0.02 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.53 3i9c n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3i9c n ILE 134 N -3.86 0.00 0.24 -0.18 -0.00 -1.26 -4.86 119.36 109.44 3i9c n ILE 134 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.61 3i9c n ILE 134 Cb 0.65 0.75 0.20 0.00 -0.00 0.00 0.00 39.64 41.24 3i9c n ILE 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 3i9c h HIS 135 N 0.00 0.00 -0.06 4.28 3.86 -1.84 0.13 115.15 121.52 3i9c h HIS 135 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 3i9c h HIS 135 Cb 1.18 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.32 3i9c h HIS 135 CO 0.04 0.00 -0.87 0.54 0.86 0.00 0.00 177.93 178.50 3i9c n ARG 136 N -2.23 0.32 -3.49 2.45 1.74 -1.26 -4.02 116.66 110.17 3i9c n ARG 136 Ca -0.00 -1.99 -0.24 0.00 -0.77 0.00 0.00 57.85 54.84 3i9c n ARG 136 Cb 0.69 -0.12 -0.02 0.00 -1.02 0.00 0.00 32.46 31.99 3i9c n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i9c s HIS 137 N -0.55 3.49 0.60 -1.55 3.76 0.46 -4.82 115.29 116.67 3i9c s HIS 137 Ca 0.25 0.31 0.32 0.00 -0.15 0.00 0.00 55.06 55.80 3i9c s HIS 137 Cb 0.31 -1.85 1.91 0.00 1.11 0.00 0.00 32.58 34.06 3i9c s HIS 137 CO -0.12 0.20 2.27 -1.00 -0.85 0.00 0.00 174.74 175.24 3i9c h PRO 138 N 0.99 0.00 0.00 8.40 0.13 -1.93 -3.37 132.00 136.22 3i9c h PRO 138 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3i9c h PRO 138 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i9c h PRO 138 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 3i9c n GLY 139 N -1.25 0.62 3.86 1.56 0.00 -1.26 -4.85 105.19 103.86 3i9c n GLY 139 Ca -0.03 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 3i9c n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i9c s SER 140 N -4.00 6.72 -0.00 1.61 0.15 -1.26 -4.99 113.70 111.92 3i9c s SER 140 Ca 0.00 1.10 0.04 0.00 0.70 0.00 0.00 55.95 57.79 3i9c s SER 140 Cb 0.00 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 3i9c s SER 140 CO 0.00 -0.12 0.09 2.30 1.20 0.00 0.00 173.24 176.72 3i9c n ILE 141 N -0.15 0.00 -2.29 6.45 -5.35 -1.26 -5.09 119.36 111.67 3i9c n ILE 141 Ca 0.01 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3i9c n ILE 141 Cb 0.53 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 3i9c n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9c n GLY 142 N 2.06 5.56 0.00 3.28 0.00 -1.26 -4.77 105.19 110.07 3i9c n GLY 142 Ca -0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3i9c n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i9c n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.15 115.26 115.49 3i9c n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i9c n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i9c n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i9c n ARG 144 N 0.00 0.00 0.05 3.52 5.12 -1.26 -4.99 116.66 119.10 3i9c n ARG 144 Ca 0.00 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.01 3i9c n ARG 144 Cb 0.00 0.00 0.37 0.00 -1.16 0.00 0.00 32.46 31.67 3i9c n ARG 144 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3i9c n LYS 145 N 0.00 0.08 -4.00 5.56 5.02 -1.26 -3.29 118.16 120.26 3i9c n LYS 145 Ca 0.00 0.34 -0.23 0.00 -2.02 0.00 0.00 58.31 56.40 3i9c n LYS 145 Cb 0.00 -1.65 -0.17 0.00 -0.02 0.00 0.00 35.03 33.19 3i9c n LYS 145 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3i9c s THR 146 N -3.13 0.65 0.30 -0.18 -4.23 -1.26 -3.37 115.64 104.41 3i9c s THR 146 Ca 0.05 -0.11 0.22 0.00 -1.18 0.00 0.00 61.69 60.68 3i9c s THR 146 Cb 0.09 -0.71 0.21 0.00 1.34 0.00 0.00 72.50 73.44 3i9c s THR 146 CO 0.29 0.28 1.91 1.55 -0.54 0.00 0.00 174.62 178.12 3i9c h PRO 147 N 7.80 0.00 0.00 3.99 0.13 -1.98 -3.44 132.00 138.49 3i9c h PRO 147 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3i9c h PRO 147 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3i9c h PRO 147 CO 0.38 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 3i9c n GLY 148 N -0.29 0.80 0.00 1.56 0.00 -1.21 -5.03 105.19 101.02 3i9c n GLY 148 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3i9c n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i9c n ARG 149 N -2.38 0.00 -5.03 1.61 1.85 -1.26 -5.05 116.66 106.40 3i9c n ARG 149 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 3i9c n ARG 149 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 3i9c n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i9c s VAL 150 N -1.76 1.73 0.34 8.89 1.01 -1.26 -4.66 120.40 124.69 3i9c s VAL 150 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 3i9c s VAL 150 Cb 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 36.38 34.82 3i9c s VAL 150 CO 0.00 0.45 1.55 -1.22 0.00 0.00 0.00 175.10 175.89 3i9c n TYR 151 N 2.45 2.96 -2.11 5.22 4.01 -1.26 -4.86 117.16 123.56 3i9c n TYR 151 Ca -0.16 0.34 -0.28 0.00 -0.16 0.00 0.00 57.90 57.64 3i9c n TYR 151 Cb 0.53 -2.57 -0.05 0.00 -0.31 0.00 0.00 39.34 36.93 3i9c n TYR 151 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3i9c s LYS 152 N -1.30 2.67 0.00 -0.72 2.47 -1.26 -2.27 119.74 119.32 3i9c s LYS 152 Ca 0.58 -0.49 0.00 0.00 -1.56 0.00 0.00 55.97 54.51 3i9c s LYS 152 Cb -0.48 -5.12 0.00 0.00 -1.46 0.00 0.00 37.83 30.77 3i9c s LYS 152 CO 0.56 -3.32 0.00 0.41 0.16 0.00 0.00 175.35 173.16 3i9c n GLY 153 N 6.73 0.64 3.62 5.54 0.00 -1.26 -5.11 105.19 115.35 3i9c n GLY 153 Ca 0.40 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.80 3i9c n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9c n LYS 154 N 0.00 0.14 -1.93 1.61 3.00 -0.96 -4.81 118.16 115.21 3i9c n LYS 154 Ca 0.00 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.94 3i9c n LYS 154 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 35.03 33.43 3i9c n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i9c s LYS 155 N 1.52 4.18 0.35 1.64 1.02 -1.26 -4.97 119.74 122.21 3i9c s LYS 155 Ca 0.97 2.30 0.07 0.00 0.02 0.00 0.00 55.97 59.33 3i9c s LYS 155 Cb -1.34 -3.97 -0.03 0.00 -0.52 0.00 0.00 37.83 31.98 3i9c s LYS 155 CO 0.68 -0.85 0.25 -1.64 -0.92 0.00 0.00 175.35 172.87 3i9c s MET 156 N 3.92 1.82 0.99 1.68 -1.94 -1.26 -5.08 119.30 119.42 3i9c s MET 156 Ca 0.77 -2.07 -0.12 0.00 -1.71 0.00 0.00 55.69 52.55 3i9c s MET 156 Cb -0.36 0.13 0.18 0.00 2.01 0.00 0.00 34.83 36.79 3i9c s MET 156 CO 0.32 -0.63 1.10 0.00 -0.01 0.00 0.00 175.02 175.80 3i9c s ALA 157 N -3.38 1.01 0.00 3.03 0.00 -1.26 -4.74 121.76 116.42 3i9c s ALA 157 Ca 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.96 3i9c s ALA 157 Cb 0.02 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3i9c s ALA 157 CO 0.25 -2.80 0.00 0.41 0.00 0.00 0.00 175.76 173.62 3i9c n GLY 158 N -1.15 -0.54 3.45 0.00 0.00 -1.08 -4.97 105.19 100.90 3i9c n GLY 158 Ca 0.05 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 3i9c n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i9c s HIS 159 N -3.08 2.99 -0.09 1.61 3.76 -1.25 0.70 115.29 119.93 3i9c s HIS 159 Ca 0.00 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 3i9c s HIS 159 Cb 0.00 -3.71 -0.03 0.00 1.11 0.00 0.00 32.58 29.95 3i9c s HIS 159 CO 0.00 -1.14 -0.01 -0.47 -0.85 0.00 0.00 174.74 172.27 3i9c s TYR 160 N 2.89 3.13 0.00 1.40 6.14 0.39 -4.97 117.35 126.33 3i9c s TYR 160 Ca 0.17 0.12 0.00 0.00 0.64 0.00 0.00 57.07 58.00 3i9c s TYR 160 Cb -0.19 -1.81 0.00 0.00 0.42 0.00 0.00 41.96 40.38 3i9c s TYR 160 CO 0.12 0.39 0.00 0.41 0.64 0.00 0.00 175.55 177.11 3i9c n GLY 161 N 2.35 -2.75 3.68 8.97 0.00 -1.26 -1.81 105.19 114.37 3i9c n GLY 161 Ca -0.18 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.69 3i9c n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c n ALA 162 N 0.19 -2.21 -2.37 4.61 0.00 0.33 -4.76 120.51 116.31 3i9c n ALA 162 Ca 0.00 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 3i9c n ALA 162 Cb 0.00 -2.88 -0.08 0.00 0.00 0.00 0.00 19.45 16.49 3i9c n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i9c s GLU 163 N -5.87 1.78 -0.06 0.00 -1.05 -1.24 -4.83 118.70 107.43 3i9c s GLU 163 Ca 0.18 -1.99 -0.30 0.00 -0.15 0.00 0.00 54.97 52.71 3i9c s GLU 163 Cb -0.05 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 3i9c s GLU 163 CO 0.83 -0.67 1.15 0.50 0.95 0.00 0.00 175.26 178.02 3i9c s ARG 164 N -3.38 4.38 -0.02 -4.83 3.52 -1.26 -1.47 118.95 115.88 3i9c s ARG 164 Ca 0.39 1.61 0.01 0.00 -0.13 0.00 0.00 55.73 57.62 3i9c s ARG 164 Cb 0.02 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 3i9c s ARG 164 CO 0.27 -0.40 -0.03 0.08 -0.81 0.00 0.00 175.30 174.40 3i9c s VAL 165 N 2.09 0.32 -0.26 7.11 1.01 0.14 -4.93 120.40 125.88 3i9c s VAL 165 Ca 0.54 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3i9c s VAL 165 Cb -0.23 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 35.90 3i9c s VAL 165 CO 0.22 0.12 0.00 -0.89 0.00 0.00 0.00 175.10 174.55 3i9c s THR 166 N 0.31 1.42 0.53 3.92 2.01 -1.26 -0.57 115.64 122.00 3i9c s THR 166 Ca -0.03 -1.38 -0.19 0.00 0.31 0.00 0.00 61.69 60.40 3i9c s THR 166 Cb -0.06 -1.84 -0.07 0.00 0.01 0.00 0.00 72.50 70.54 3i9c s THR 166 CO -0.00 -0.31 1.05 0.54 -0.69 0.00 0.00 174.62 175.20 3i9c s VAL 167 N 1.40 3.76 0.01 3.82 0.11 -0.49 -4.91 120.40 124.09 3i9c s VAL 167 Ca 0.01 0.99 0.05 0.00 -2.93 0.00 0.00 61.98 60.10 3i9c s VAL 167 Cb -0.18 -3.42 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 3i9c s VAL 167 CO -0.11 -0.33 -0.15 -0.04 -3.33 0.00 0.00 175.10 171.14 3i9c s MET 168 N -3.55 1.12 -0.46 1.54 -1.94 -1.26 -2.27 119.30 112.47 3i9c s MET 168 Ca 0.66 -0.61 -0.03 0.00 -1.71 0.00 0.00 55.69 54.00 3i9c s MET 168 Cb -0.17 -1.10 0.00 0.00 2.01 0.00 0.00 34.83 35.58 3i9c s MET 168 CO 0.27 0.29 0.47 -1.71 -0.01 0.00 0.00 175.02 174.33 3i9c n ASN 169 N 2.44 -6.10 -4.60 3.03 5.15 -0.72 -4.97 115.26 109.50 3i9c n ASN 169 Ca -0.15 0.06 -0.28 0.00 -0.60 0.00 0.00 54.58 53.60 3i9c n ASN 169 Cb 0.55 -4.04 -0.09 0.00 -0.53 0.00 0.00 39.78 35.67 3i9c n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i9c s LEU 170 N -3.07 3.09 -0.04 1.20 1.02 0.17 -4.80 118.68 116.26 3i9c s LEU 170 Ca 0.05 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 3i9c s LEU 170 Cb -0.01 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 3i9c s LEU 170 CO 0.53 0.14 0.15 -1.83 0.02 0.00 0.00 176.35 175.36 3i9c s GLU 171 N -2.51 3.35 -0.50 1.70 -1.05 -1.26 -0.17 118.70 118.26 3i9c s GLU 171 Ca 0.24 -0.31 -0.29 0.00 -0.15 0.00 0.00 54.97 54.46 3i9c s GLU 171 Cb -0.10 -3.06 0.02 0.00 -0.44 0.00 0.00 34.13 30.55 3i9c s GLU 171 CO 0.15 0.70 1.26 0.08 0.95 0.00 0.00 175.26 178.40 3i9c s VAL 172 N -1.21 4.02 0.12 1.83 1.01 -1.00 -3.50 120.40 121.68 3i9c s VAL 172 Ca 0.23 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 3i9c s VAL 172 Cb -0.12 -4.52 -0.17 0.00 0.00 0.00 0.00 36.38 31.57 3i9c s VAL 172 CO 0.14 -1.06 1.32 0.58 0.00 0.00 0.00 175.10 176.08 3i9c h VAL 173 N 6.30 1.34 -1.43 2.92 2.07 0.67 -1.06 116.25 127.06 3i9c h VAL 173 Ca -0.25 -2.23 0.16 0.00 0.82 0.00 0.00 66.70 65.20 3i9c h VAL 173 Cb 1.07 2.24 -0.23 0.00 -1.52 0.00 0.00 31.29 32.85 3i9c h VAL 173 CO 1.14 0.68 0.71 -0.62 0.02 0.00 0.00 177.57 179.50 3i9c s ASP 174 N -7.10 -0.23 -0.15 0.57 3.68 -1.23 -4.80 116.67 107.41 3i9c s ASP 174 Ca -0.07 0.21 -0.00 0.00 2.13 0.00 0.00 52.55 54.81 3i9c s ASP 174 Cb 0.09 0.20 0.03 0.00 -1.45 0.00 0.00 42.92 41.79 3i9c s ASP 174 CO 0.88 -0.25 -0.08 0.54 0.13 0.00 0.00 175.17 176.39 3i9c s VAL 175 N -1.38 1.20 -0.72 1.11 0.11 -1.26 -0.00 120.40 119.46 3i9c s VAL 175 Ca 0.04 -0.53 -0.14 0.00 -2.93 0.00 0.00 61.98 58.41 3i9c s VAL 175 Cb -0.01 -1.27 0.19 0.00 -1.53 0.00 0.00 36.38 33.76 3i9c s VAL 175 CO -0.03 0.28 0.66 -0.63 -3.33 0.00 0.00 175.10 172.05 3i9c s ILE 176 N 1.62 5.39 0.30 7.04 1.01 0.60 -4.93 121.20 132.23 3i9c s ILE 176 Ca 0.03 -2.16 0.06 0.00 0.00 0.00 0.00 60.65 58.58 3i9c s ILE 176 Cb -0.14 -4.37 0.05 0.00 0.01 0.00 0.00 42.46 38.01 3i9c s ILE 176 CO -0.08 -0.97 1.72 1.55 0.00 0.00 0.00 174.94 177.16 3i9c h PRO 177 N 8.13 0.31 0.00 2.79 0.13 -1.93 0.79 132.00 142.22 3i9c h PRO 177 Ca -0.04 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3i9c h PRO 177 Cb 1.06 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3i9c h PRO 177 CO 0.85 0.62 0.04 0.93 -0.23 0.00 0.00 178.00 180.21 3i9c h GLU 178 N 0.26 0.00 0.00 0.86 3.07 -1.96 -1.66 114.58 115.15 3i9c h GLU 178 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3i9c h GLU 178 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 3i9c h GLU 178 CO 0.06 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.76 3i9c n GLU 179 N -2.52 -0.18 -2.83 2.33 4.07 -1.11 -5.04 120.64 115.35 3i9c n GLU 179 Ca -0.02 -0.22 -0.11 0.00 -0.06 0.00 0.00 57.16 56.75 3i9c n GLU 179 Cb 0.08 -0.70 0.03 0.00 -0.06 0.00 0.00 31.44 30.79 3i9c n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3i9c n ASN 180 N -0.04 -3.96 -4.93 4.31 3.02 0.75 -5.01 115.26 109.41 3i9c n ASN 180 Ca 0.00 -0.20 -0.29 0.00 -0.03 0.00 0.00 54.58 54.06 3i9c n ASN 180 Cb 0.12 -2.68 -0.04 0.00 -0.61 0.00 0.00 39.78 36.57 3i9c n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i9c s LEU 181 N -3.78 4.30 0.02 3.41 2.01 0.24 -3.00 118.68 121.87 3i9c s LEU 181 Ca 0.22 0.33 0.03 0.00 0.01 0.00 0.00 54.13 54.71 3i9c s LEU 181 Cb -0.10 -3.06 -0.01 0.00 0.01 0.00 0.00 46.19 43.03 3i9c s LEU 181 CO 0.27 0.06 -0.09 -0.22 1.01 0.00 0.00 176.35 177.38 3i9c s LEU 182 N -2.98 2.13 -0.11 1.79 2.96 -1.26 -0.29 118.68 120.91 3i9c s LEU 182 Ca 0.37 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 3i9c s LEU 182 Cb -0.12 -0.34 0.02 0.00 0.50 0.00 0.00 46.19 46.25 3i9c s LEU 182 CO 0.28 -0.02 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.40 3i9c s LEU 183 N -0.83 1.56 0.00 -0.68 1.02 1.00 -1.91 118.68 118.84 3i9c s LEU 183 Ca -0.02 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.75 3i9c s LEU 183 Cb -0.06 -1.02 -0.00 0.00 0.02 0.00 0.00 46.19 45.13 3i9c s LEU 183 CO 0.00 -0.04 0.03 1.33 0.02 0.00 0.00 176.35 177.69 3i9c n VAL 184 N 4.50 0.00 -2.70 -1.59 0.24 -0.95 0.12 118.33 117.95 3i9c n VAL 184 Ca -0.17 -1.90 -0.43 0.00 -2.04 0.00 0.00 64.34 59.79 3i9c n VAL 184 Cb 0.51 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 3i9c n VAL 184 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i9c n LYS 185 N -0.94 3.55 0.00 7.34 4.76 -1.23 -3.53 118.16 128.11 3i9c n LYS 185 Ca -0.14 -3.77 0.00 0.00 -2.87 0.00 0.00 58.31 51.53 3i9c n LYS 185 Cb 0.51 -2.94 0.00 0.00 -1.84 0.00 0.00 35.03 30.76 3i9c n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i9c n GLY 186 N 3.30 0.63 1.62 0.72 0.00 -1.23 -4.82 105.19 105.41 3i9c n GLY 186 Ca 0.37 0.69 -0.20 0.00 0.00 0.00 0.00 46.02 46.88 3i9c n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c n ALA 187 N 7.89 0.13 -3.39 4.61 0.00 -1.26 -4.79 120.51 123.70 3i9c n ALA 187 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 3i9c n ALA 187 Cb 0.00 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 3i9c n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9c s VAL 188 N 4.03 -0.51 0.88 0.00 0.11 -1.26 -4.91 120.40 118.74 3i9c s VAL 188 Ca 0.63 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 59.34 3i9c s VAL 188 Cb -0.60 -0.82 -0.15 0.00 -1.53 0.00 0.00 36.38 33.28 3i9c s VAL 188 CO 0.24 -0.21 -0.61 -0.81 -3.33 0.00 0.00 175.10 170.38 3i9c n PRO 189 N 5.34 -0.00 0.00 1.54 -0.04 -1.26 -4.88 135.00 135.70 3i9c n PRO 189 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3i9c n PRO 189 Cb 0.49 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 3i9c n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9c n GLY 190 N 3.21 -1.35 3.97 0.55 0.00 -0.32 -4.61 105.19 106.63 3i9c n GLY 190 Ca 0.01 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 3i9c n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i9c s PRO 191 N -2.89 1.79 0.41 1.61 0.04 -1.26 -4.84 135.00 129.86 3i9c s PRO 191 Ca 0.00 -0.79 -0.27 0.00 0.04 0.00 0.00 61.00 59.99 3i9c s PRO 191 Cb 0.00 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3i9c s PRO 191 CO 0.00 -1.41 1.43 -0.80 0.04 0.00 0.00 177.00 176.26 3i9c s ASN 192 N -4.66 6.15 0.00 6.66 0.02 -1.26 -2.23 114.94 119.62 3i9c s ASN 192 Ca 0.65 2.93 0.00 0.00 -1.02 0.00 0.00 52.86 55.42 3i9c s ASN 192 Cb -0.07 -2.66 0.00 0.00 0.02 0.00 0.00 41.25 38.54 3i9c s ASN 192 CO 0.45 -0.99 0.00 0.61 0.02 0.00 0.00 177.10 177.19 3i9c n GLY 193 N 0.55 0.86 3.89 0.66 0.00 -1.25 -4.86 105.19 105.05 3i9c n GLY 193 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3i9c n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i9c s GLY 194 N -1.98 1.58 0.34 -0.02 0.00 -0.95 -4.60 107.32 101.70 3i9c s GLY 194 Ca 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 44.72 44.14 3i9c s GLY 194 CO 0.00 -0.11 0.90 -2.27 0.00 0.00 0.00 173.10 171.62 3i9c s LEU 195 N -4.99 4.20 0.18 0.66 2.96 -1.26 -2.21 118.68 118.22 3i9c s LEU 195 Ca 0.52 1.70 -0.18 0.00 -0.22 0.00 0.00 54.13 55.96 3i9c s LEU 195 Cb -0.11 -4.12 0.03 0.00 0.50 0.00 0.00 46.19 42.49 3i9c s LEU 195 CO 0.49 -0.15 0.50 0.68 -1.32 0.00 0.00 176.35 176.55 3i9c s VAL 196 N -1.80 0.03 0.13 1.68 -7.23 0.92 -4.41 120.40 109.73 3i9c s VAL 196 Ca 0.53 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 60.09 3i9c s VAL 196 Cb -0.15 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3i9c s VAL 196 CO 0.20 -0.15 -0.14 0.27 -0.31 0.00 0.00 175.10 174.96 3i9c s ILE 197 N -3.85 1.42 -0.26 -0.62 -5.25 -1.09 0.35 121.20 111.90 3i9c s ILE 197 Ca 0.07 -1.80 -0.02 0.00 -0.99 0.00 0.00 60.65 57.92 3i9c s ILE 197 Cb -0.00 -1.63 0.08 0.00 2.95 0.00 0.00 42.46 43.86 3i9c s ILE 197 CO -0.06 -0.43 0.06 -0.69 -1.79 0.00 0.00 174.94 172.03 3i9c s VAL 198 N -2.24 0.77 0.21 8.37 1.01 -0.62 -2.72 120.40 125.18 3i9c s VAL 198 Ca 0.11 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3i9c s VAL 198 Cb -0.04 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.97 3i9c s VAL 198 CO 0.04 -0.43 0.29 0.54 0.00 0.00 0.00 175.10 175.53 3i9c n ARG 199 N 4.92 0.64 0.00 2.72 1.74 -0.89 -3.50 116.66 122.29 3i9c n ARG 199 Ca -0.06 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 3i9c n ARG 199 Cb 0.44 -0.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 3i9c n ARG 199 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3i9c n GLU 200 N -1.50 3.29 -3.51 5.56 0.00 -1.26 -2.82 120.64 120.40 3i9c n GLU 200 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.09 3i9c n GLU 200 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.60 3i9c n GLU 200 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3i9c n THR 201 N 0.00 0.00 -3.90 3.84 -1.04 -1.24 -2.04 114.28 109.89 3i9c n THR 201 Ca 0.00 -1.47 -0.30 0.00 -2.04 0.00 0.00 64.05 60.24 3i9c n THR 201 Cb 0.00 0.88 -0.16 0.00 -1.82 0.00 0.00 70.33 69.23 3i9c n THR 201 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3i9c s LYS 202 N -2.68 1.46 0.00 -2.82 3.01 -1.26 -4.69 119.74 112.75 3i9c s LYS 202 Ca 0.24 -0.88 0.00 0.00 -1.01 0.00 0.00 55.97 54.32 3i9c s LYS 202 Cb -0.00 -2.49 0.00 0.00 -1.01 0.00 0.00 37.83 34.32 3i9c s LYS 202 CO 0.17 -0.60 0.00 0.36 0.51 0.00 0.00 175.35 175.79 3i9c n LYS 203 N 4.74 3.43 0.00 1.68 -0.00 -1.26 -4.90 118.16 121.85 3i9c n LYS 203 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 3i9c n LYS 203 Cb 0.45 -0.31 0.00 0.00 -0.00 0.00 0.00 35.03 35.16 3i9c n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9c n ALA 204 N -0.04 0.00 0.00 0.58 0.00 -1.26 -5.29 120.51 114.49 3i9c n ALA 204 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9c n ALA 204 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9c n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50