#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9c n GLN 13 N 0.00 -0.32 0.00 1.61 1.13 -1.26 -4.45 117.38 114.09 1s9c n GLN 13 Ca 0.00 -0.80 0.00 0.00 -1.94 0.00 0.00 57.00 54.26 1s9c n GLN 13 Cb 0.00 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 29.90 1s9c n GLN 13 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1s9c n LYS 14 N -1.97 0.80 -3.68 -1.09 2.85 -1.26 -3.23 118.16 110.58 1s9c n LYS 14 Ca 0.06 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.21 1s9c n LYS 14 Cb 0.21 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.54 1s9c n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1s9c s LEU 15 N 0.00 0.57 -0.06 -5.58 1.43 -1.03 -4.67 118.68 109.33 1s9c s LEU 15 Ca 0.00 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1s9c s LEU 15 Cb 0.00 1.68 -0.08 0.00 0.03 0.00 0.00 46.19 47.82 1s9c s LEU 15 CO 0.00 -0.79 2.04 -2.65 0.23 0.00 0.00 176.35 175.18 1s9c n PRO 16 N -0.04 2.48 -2.03 1.29 -0.02 -1.26 -4.49 135.00 130.94 1s9c n PRO 16 Ca -0.16 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 1s9c n PRO 16 Cb 0.63 -3.02 0.03 0.00 -0.02 0.00 0.00 33.50 31.12 1s9c n PRO 16 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s9c s PRO 17 N 5.02 3.12 0.33 0.52 0.04 -1.26 -4.79 135.00 137.97 1s9c s PRO 17 Ca 0.94 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.84 1s9c s PRO 17 Cb -0.45 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.05 1s9c s PRO 17 CO 0.42 -1.10 0.41 1.97 0.04 0.00 0.00 177.00 178.74 1s9c n PHE 18 N -1.35 -1.23 -3.81 0.56 -1.74 -0.90 -5.01 117.46 103.96 1s9c n PHE 18 Ca 0.12 -2.33 -0.12 0.00 -0.56 0.00 0.00 57.45 54.56 1s9c n PHE 18 Cb 0.49 0.46 -0.11 0.00 1.52 0.00 0.00 39.48 41.84 1s9c n PHE 18 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1s9c s SER 19 N -3.09 -0.15 -0.17 5.98 1.04 -1.26 0.50 113.70 116.55 1s9c s SER 19 Ca 0.30 0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1s9c s SER 19 Cb -0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1s9c s SER 19 CO 0.21 -0.22 -0.15 -0.47 0.98 0.00 0.00 173.24 173.60 1s9c s TYR 20 N -0.53 2.81 0.02 5.02 5.04 -1.05 -4.97 117.35 123.68 1s9c s TYR 20 Ca -0.06 -1.20 0.05 0.00 -2.44 0.00 0.00 57.07 53.42 1s9c s TYR 20 Cb -0.04 -1.94 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 1s9c s TYR 20 CO 0.01 -0.59 -0.13 0.00 -1.34 0.00 0.00 175.55 173.51 1s9c s ALA 21 N 1.08 2.78 0.22 3.97 0.00 -1.26 -2.11 121.76 126.43 1s9c s ALA 21 Ca -0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 1s9c s ALA 21 Cb -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1s9c s ALA 21 CO -0.04 0.59 0.46 1.52 0.00 0.00 0.00 175.76 178.29 1s9c s TYR 22 N -0.93 0.22 0.39 0.00 -0.85 -0.26 -5.00 117.35 110.92 1s9c s TYR 22 Ca 0.15 -0.59 0.04 0.00 -0.52 0.00 0.00 57.07 56.16 1s9c s TYR 22 Cb -0.11 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 1s9c s TYR 22 CO 0.06 -0.93 0.14 0.25 -1.52 0.00 0.00 175.55 173.54 1s9c n THR 23 N -0.34 0.00 -0.09 -3.49 -2.24 -1.26 -1.12 114.28 105.74 1s9c n THR 23 Ca -0.05 -2.25 0.17 0.00 -2.27 0.00 0.00 64.05 59.66 1s9c n THR 23 Cb 0.62 0.80 0.58 0.00 -2.10 0.00 0.00 70.33 70.24 1s9c n THR 23 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s9c h GLU 24 N 0.00 0.23 0.18 -0.78 3.07 -1.94 -2.68 114.58 112.65 1s9c h GLU 24 Ca -0.30 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1s9c h GLU 24 Cb 1.15 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 1s9c h GLU 24 CO 0.48 0.15 -0.27 1.25 -1.40 0.00 0.00 179.01 179.22 1s9c h LEU 25 N 0.24 -0.76 -1.66 1.33 5.85 -1.95 0.21 115.31 118.56 1s9c h LEU 25 Ca 0.31 0.07 0.23 0.00 0.84 0.00 0.00 57.88 59.33 1s9c h LEU 25 Cb 0.89 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1s9c h LEU 25 CO -0.06 -0.32 0.63 -0.33 -0.34 0.00 0.00 178.44 178.01 1s9c h GLU 26 N -0.47 0.25 0.04 1.25 3.07 -1.88 0.13 114.58 116.98 1s9c h GLU 26 Ca -0.02 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1s9c h GLU 26 Cb 0.43 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1s9c h GLU 26 CO -0.08 0.17 -0.02 0.00 -1.40 0.00 0.00 179.01 177.68 1s9c h ALA 27 N 1.59 -0.06 -0.79 3.43 0.00 -1.18 -1.82 119.26 120.42 1s9c h ALA 27 Ca 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1s9c h ALA 27 Cb 1.41 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1s9c h ALA 27 CO -0.13 -0.29 0.43 0.82 0.00 0.00 0.00 179.25 180.08 1s9c h ILE 28 N -0.55 1.24 -0.66 0.00 2.04 0.30 -0.86 117.51 119.02 1s9c h ILE 28 Ca -0.01 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1s9c h ILE 28 Cb 0.50 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1s9c h ILE 28 CO 0.01 0.27 0.37 -0.03 0.00 0.00 0.00 178.15 178.76 1s9c h MET 29 N 1.10 0.66 -0.16 2.37 4.05 -0.76 0.41 114.93 122.61 1s9c h MET 29 Ca 0.28 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 1s9c h MET 29 Cb 0.04 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 1s9c h MET 29 CO -0.04 0.44 0.08 -0.92 0.23 0.00 0.00 176.91 176.69 1s9c h TYR 30 N 0.68 0.24 -0.59 1.39 3.20 -0.65 -1.58 116.97 119.66 1s9c h TYR 30 Ca 0.29 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.22 1s9c h TYR 30 Cb 0.18 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 1s9c h TYR 30 CO -0.08 0.28 0.27 0.00 -1.64 0.00 0.00 178.16 177.00 1s9c h ALA 31 N 0.93 0.77 0.29 1.82 0.00 -0.34 0.10 119.26 122.83 1s9c h ALA 31 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1s9c h ALA 31 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1s9c h ALA 31 CO -0.01 -0.11 -0.14 -0.07 0.00 0.00 0.00 179.25 178.93 1s9c h LEU 32 N 0.50 -0.33 -0.96 0.00 3.38 -0.85 -1.34 115.31 115.71 1s9c h LEU 32 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1s9c h LEU 32 Cb 0.26 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1s9c h LEU 32 CO -0.23 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 178.79 1s9c n GLY 33 N -0.88 -0.78 0.78 0.83 0.00 -0.60 -1.17 105.19 103.35 1s9c n GLY 33 Ca -0.10 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1s9c n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s9c n VAL 34 N -2.03 0.85 0.00 1.61 3.14 -0.02 -4.49 118.33 117.40 1s9c n VAL 34 Ca -0.01 -0.93 0.00 0.00 -2.96 0.00 0.00 64.34 60.45 1s9c n VAL 34 Cb 0.04 0.62 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 1s9c n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s9c n GLY 35 N 0.79 0.95 3.61 7.55 0.00 -0.32 -3.64 105.19 114.13 1s9c n GLY 35 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1s9c n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9c n ALA 36 N -0.03 0.02 -2.92 4.61 0.00 -0.55 -4.98 120.51 116.65 1s9c n ALA 36 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 1s9c n ALA 36 Cb 0.00 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.24 1s9c n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s9c s SER 37 N -0.37 -0.01 0.00 0.00 0.15 -1.26 -4.55 113.70 107.66 1s9c s SER 37 Ca 0.61 0.01 0.20 0.00 0.70 0.00 0.00 55.95 57.47 1s9c s SER 37 Cb -0.70 0.08 1.21 0.00 -1.71 0.00 0.00 66.02 64.90 1s9c s SER 37 CO 0.58 -0.05 1.64 2.30 1.20 0.00 0.00 173.24 178.90 1s9c n ILE 38 N 2.86 0.00 0.26 6.45 -5.35 -1.26 -2.30 119.36 120.02 1s9c n ILE 38 Ca -0.14 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.46 1s9c n ILE 38 Cb 0.59 -0.54 0.69 0.00 -1.74 0.00 0.00 39.64 38.64 1s9c n ILE 38 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1s9c h LYS 39 N 0.00 0.00 -4.73 6.28 3.64 -1.99 -3.36 116.57 116.40 1s9c h LYS 39 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 1s9c h LYS 39 Cb 0.00 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.57 1s9c h LYS 39 CO 0.00 0.13 -0.58 0.34 -2.27 0.00 0.00 179.45 177.08 1s9c s ASP 40 N -6.21 5.41 0.37 4.20 -1.08 -0.97 -4.98 116.67 113.39 1s9c s ASP 40 Ca -0.03 -0.77 0.13 0.00 -0.52 0.00 0.00 52.55 51.37 1s9c s ASP 40 Cb 0.13 -1.95 0.95 0.00 -1.46 0.00 0.00 42.92 40.60 1s9c s ASP 40 CO 0.60 -0.25 1.80 -0.65 0.52 0.00 0.00 175.17 177.19 1s9c h PRO 41 N 8.31 0.53 0.00 4.34 0.11 -1.85 0.32 132.00 143.76 1s9c h PRO 41 Ca -0.29 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 1s9c h PRO 41 Cb 1.12 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1s9c h PRO 41 CO 0.62 0.35 -0.01 0.87 -0.21 0.00 0.00 178.00 179.62 1s9c h LYS 42 N 0.55 0.00 0.00 1.05 1.57 -1.93 -1.70 116.57 116.11 1s9c h LYS 42 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1s9c h LYS 42 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1s9c h LYS 42 CO -0.29 0.01 -0.04 -0.25 -0.57 0.00 0.00 179.45 178.30 1s9c n ASP 43 N -3.16 0.29 0.16 0.86 9.92 0.10 -3.33 116.55 121.39 1s9c n ASP 43 Ca -0.02 0.47 0.16 0.00 -0.53 0.00 0.00 54.79 54.87 1s9c n ASP 43 Cb 0.14 -0.53 0.75 0.00 -0.64 0.00 0.00 41.12 40.84 1s9c n ASP 43 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1s9c h LEU 44 N 0.00 0.00 -1.98 0.64 5.85 -1.40 -0.26 115.31 118.16 1s9c h LEU 44 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1s9c h LEU 44 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1s9c h LEU 44 CO 0.00 0.00 0.25 0.50 -0.34 0.00 0.00 178.44 178.85 1s9c h LYS 45 N 0.00 0.02 -0.01 1.25 3.64 -1.76 -0.86 116.57 118.85 1s9c h LYS 45 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1s9c h LYS 45 Cb 0.51 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1s9c h LYS 45 CO -0.00 0.01 -0.41 1.19 -2.27 0.00 0.00 179.45 177.97 1s9c n PHE 46 N -4.44 0.00 -0.04 1.91 3.72 -0.14 -1.62 117.46 116.86 1s9c n PHE 46 Ca 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.44 1s9c n PHE 46 Cb 0.42 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.87 1s9c n PHE 46 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1s9c n ILE 47 N -0.59 0.49 -3.87 4.37 5.41 -0.97 -4.44 119.36 119.77 1s9c n ILE 47 Ca 0.05 -0.39 -0.36 0.00 1.00 0.00 0.00 62.75 63.05 1s9c n ILE 47 Cb 0.26 -0.40 -0.14 0.00 -0.71 0.00 0.00 39.64 38.65 1s9c n ILE 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1s9c s TYR 48 N -2.44 3.09 0.43 1.39 5.04 -0.37 -4.93 117.35 119.56 1s9c s TYR 48 Ca -0.05 -1.24 0.22 0.00 -2.44 0.00 0.00 57.07 53.57 1s9c s TYR 48 Cb 0.05 -2.15 1.27 0.00 0.35 0.00 0.00 41.96 41.48 1s9c s TYR 48 CO 0.45 -0.64 2.04 1.05 -1.34 0.00 0.00 175.55 177.11 1s9c h GLU 49 N 8.12 0.00 0.00 4.97 9.09 -1.92 -1.84 114.58 133.00 1s9c h GLU 49 Ca -0.33 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.06 1s9c h GLU 49 Cb 1.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1s9c h GLU 49 CO 0.59 0.15 -0.09 0.78 0.05 0.00 0.00 179.01 180.49 1s9c h GLY 50 N 0.73 0.00 -4.48 1.06 0.00 -1.94 -3.44 103.07 94.99 1s9c h GLY 50 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1s9c h GLY 50 CO 0.02 0.00 0.71 -1.26 0.00 0.00 0.00 176.54 176.01 1s9c n SER 51 N -3.28 3.18 0.21 0.19 2.88 -0.69 -4.82 113.62 111.28 1s9c n SER 51 Ca -0.00 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.83 1s9c n SER 51 Cb 0.30 -1.49 0.60 0.00 -0.75 0.00 0.00 64.21 62.87 1s9c n SER 51 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1s9c h SER 52 N 4.32 0.00 0.17 -3.46 4.64 -1.89 -1.85 113.55 115.48 1s9c h SER 52 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1s9c h SER 52 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s9c h SER 52 CO 0.76 0.00 -0.54 -0.67 -0.87 0.00 0.00 176.83 175.51 1s9c n ASP 53 N -2.69 1.17 -3.90 4.97 -0.08 -1.26 -5.00 116.55 109.75 1s9c n ASP 53 Ca 0.01 -0.94 -0.54 0.00 -1.51 0.00 0.00 54.79 51.81 1s9c n ASP 53 Cb 0.27 0.45 -0.08 0.00 2.34 0.00 0.00 41.12 44.10 1s9c n ASP 53 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1s9c n PHE 54 N -0.87 1.15 -4.14 -0.67 7.35 -0.70 -4.93 117.46 114.64 1s9c n PHE 54 Ca 0.08 0.94 -0.09 0.00 -0.76 0.00 0.00 57.45 57.61 1s9c n PHE 54 Cb 0.37 -1.82 -0.10 0.00 0.35 0.00 0.00 39.48 38.28 1s9c n PHE 54 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1s9c s SER 55 N 1.64 0.80 -0.13 -2.13 0.01 -0.64 -4.91 113.70 108.34 1s9c s SER 55 Ca 0.84 -1.04 -0.07 0.00 1.31 0.00 0.00 55.95 56.98 1s9c s SER 55 Cb -1.19 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.16 1s9c s SER 55 CO 0.61 -0.56 0.14 0.00 0.41 0.00 0.00 173.24 173.85 1s9c s LEU 57 N -0.87 4.41 0.20 0.00 1.43 -1.26 -4.83 118.68 117.76 1s9c s LEU 57 Ca 0.14 2.52 -0.19 0.00 -1.03 0.00 0.00 54.13 55.57 1s9c s LEU 57 Cb -0.12 -3.62 0.17 0.00 0.03 0.00 0.00 46.19 42.65 1s9c s LEU 57 CO 0.03 -0.59 1.58 -0.65 0.23 0.00 0.00 176.35 176.95 1s9c h PRO 58 N 5.10 -0.11 0.00 1.29 0.11 -1.96 0.97 132.00 137.40 1s9c h PRO 58 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1s9c h PRO 58 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1s9c h PRO 58 CO 0.77 -0.07 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 1s9c n THR 59 N -5.45 0.30 0.30 -1.15 -2.24 -1.26 -1.78 114.28 103.00 1s9c n THR 59 Ca 0.06 0.08 0.19 0.00 -2.27 0.00 0.00 64.05 62.10 1s9c n THR 59 Cb 0.37 -1.00 0.91 0.00 -2.10 0.00 0.00 70.33 68.51 1s9c n THR 59 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1s9c h PHE 60 N 0.00 0.00 0.00 4.78 3.57 -1.17 -0.92 116.94 123.20 1s9c h PHE 60 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1s9c h PHE 60 Cb 0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1s9c h PHE 60 CO 0.00 0.00 -0.09 0.78 -2.23 0.00 0.00 178.31 176.77 1s9c h GLY 61 N 0.76 0.00 1.65 2.40 0.00 -1.55 -0.95 103.07 105.38 1s9c h GLY 61 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1s9c h GLY 61 CO 0.00 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.44 1s9c h VAL 62 N 0.00 1.19 -0.02 4.60 2.07 -1.41 -2.06 116.25 120.61 1s9c h VAL 62 Ca -0.00 -0.75 -0.19 0.00 0.82 0.00 0.00 66.70 66.58 1s9c h VAL 62 Cb 0.19 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1s9c h VAL 62 CO 0.01 0.25 -0.82 0.40 0.02 0.00 0.00 177.57 177.43 1s9c h ILE 63 N 0.43 1.44 -0.42 4.57 2.04 -1.33 -2.16 117.51 122.08 1s9c h ILE 63 Ca 0.09 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.54 1s9c h ILE 63 Cb 0.32 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1s9c h ILE 63 CO 0.01 0.71 0.23 0.40 0.00 0.00 0.00 178.15 179.50 1s9c h ILE 64 N 0.17 1.15 -0.14 -0.67 2.04 -1.11 -2.70 117.51 116.26 1s9c h ILE 64 Ca -0.04 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1s9c h ILE 64 Cb 1.42 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1s9c h ILE 64 CO 0.13 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1s9c n GLY 65 N -1.00 0.57 0.11 5.37 0.00 -0.99 -4.01 105.19 105.25 1s9c n GLY 65 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 1s9c n GLY 65 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1s9c h GLN 66 N 3.06 0.00 -1.08 1.61 4.15 -1.04 -3.39 115.11 118.42 1s9c h GLN 66 Ca 0.00 0.00 0.29 0.00 0.77 0.00 0.00 58.65 59.71 1s9c h GLN 66 Cb 0.66 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.25 1s9c h GLN 66 CO 0.00 0.57 0.69 -0.22 -1.93 0.00 0.00 178.83 177.94 1s9c h LYS 67 N 0.00 0.34 -4.52 1.69 3.64 -1.69 -3.17 116.57 112.86 1s9c h LYS 67 Ca -0.04 -0.02 -0.72 0.00 -1.27 0.00 0.00 60.65 58.60 1s9c h LYS 67 Cb 1.51 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 33.16 1s9c h LYS 67 CO 0.08 0.23 2.30 -1.13 -2.27 0.00 0.00 179.45 178.65 1s9c n SER 68 N -4.67 4.69 0.00 4.20 3.41 -1.26 -2.74 113.62 117.26 1s9c n SER 68 Ca 0.27 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 1s9c n SER 68 Cb 0.96 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 1s9c n SER 68 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1s9c n MET 69 N 6.10 0.00 -1.98 4.33 1.56 -1.20 -5.08 117.12 120.86 1s9c n MET 69 Ca 0.46 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.67 1s9c n MET 69 Cb 0.41 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.81 1s9c n MET 69 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1s9c n MET 70 N 0.00 3.45 -0.85 2.12 2.81 -1.11 -4.79 117.12 118.75 1s9c n MET 70 Ca 0.00 -4.10 0.00 0.00 -1.81 0.00 0.00 57.70 51.79 1s9c n MET 70 Cb 0.00 -2.22 0.00 0.00 -0.71 0.00 0.00 33.22 30.29 1s9c n MET 70 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1s9c n ILE 82 N -0.72 0.00 -3.32 2.02 5.41 -1.26 -5.08 119.36 116.41 1s9c n ILE 82 Ca 0.41 0.00 -0.46 0.00 1.00 0.00 0.00 62.75 63.70 1s9c n ILE 82 Cb 0.95 -0.16 -0.04 0.00 -0.71 0.00 0.00 39.64 39.69 1s9c n ILE 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1s9c s ASN 83 N -0.26 6.42 0.00 4.38 3.84 -1.26 -4.89 114.94 123.17 1s9c s ASN 83 Ca 0.00 -2.14 0.01 0.00 0.21 0.00 0.00 52.86 50.94 1s9c s ASN 83 Cb 0.00 -2.21 0.07 0.00 -0.55 0.00 0.00 41.25 38.56 1s9c s ASN 83 CO 0.00 -0.75 0.39 0.49 -2.79 0.00 0.00 177.10 174.44 1s9c n PHE 84 N 4.76 0.00 -0.05 0.43 3.72 -1.26 -1.58 117.46 123.48 1s9c n PHE 84 Ca -0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 1s9c n PHE 84 Cb 0.43 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.83 1s9c n PHE 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s9c n ALA 85 N -0.56 1.28 1.11 4.37 0.00 -1.26 -4.33 120.51 121.13 1s9c n ALA 85 Ca 0.01 -0.87 0.12 0.00 0.00 0.00 0.00 53.44 52.70 1s9c n ALA 85 Cb 0.00 -0.54 0.17 0.00 0.00 0.00 0.00 19.45 19.09 1s9c n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s9c n LYS 86 N -3.18 1.59 -2.13 0.00 5.02 -0.62 -4.99 118.16 113.86 1s9c n LYS 86 Ca -0.30 -1.23 -0.40 0.00 -2.02 0.00 0.00 58.31 54.37 1s9c n LYS 86 Cb 1.06 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.58 1s9c n LYS 86 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s9c s VAL 87 N -2.25 2.78 -0.21 -0.18 1.01 -1.18 -4.93 120.40 115.44 1s9c s VAL 87 Ca 0.26 0.72 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 1s9c s VAL 87 Cb 0.19 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1s9c s VAL 87 CO 0.44 0.12 0.12 -0.76 0.00 0.00 0.00 175.10 175.02 1s9c s LEU 88 N -2.21 4.04 -0.56 3.92 1.43 0.11 -4.91 118.68 120.50 1s9c s LEU 88 Ca 0.54 0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.56 1s9c s LEU 88 Cb -0.37 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 43.86 1s9c s LEU 88 CO 0.48 0.14 0.80 -2.28 0.23 0.00 0.00 176.35 175.72 1s9c s HIS 89 N 0.60 2.89 -0.14 0.29 5.65 -1.26 -0.20 115.29 123.11 1s9c s HIS 89 Ca 0.06 -0.41 -0.10 0.00 0.25 0.00 0.00 55.06 54.86 1s9c s HIS 89 Cb -0.12 -3.91 -0.24 0.00 -1.18 0.00 0.00 32.58 27.12 1s9c s HIS 89 CO 0.01 -1.29 0.33 0.41 -0.65 0.00 0.00 174.74 173.55 1s9c n GLY 90 N 5.20 -0.62 3.20 1.59 0.00 -0.18 -4.82 105.19 109.56 1s9c n GLY 90 Ca -0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1s9c n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s9c s GLU 91 N -2.51 1.08 -0.05 1.61 2.02 -1.10 -1.89 118.70 117.86 1s9c s GLU 91 Ca -0.24 -1.49 -0.09 0.00 0.02 0.00 0.00 54.97 53.17 1s9c s GLU 91 Cb 0.06 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.58 1s9c s GLU 91 CO 0.73 -0.34 0.22 -1.14 0.02 0.00 0.00 175.26 174.74 1s9c s GLN 92 N -4.09 0.41 -0.06 1.61 2.00 -0.80 -2.19 119.66 116.55 1s9c s GLN 92 Ca 0.30 0.00 -0.03 0.00 -2.00 0.00 0.00 55.36 53.63 1s9c s GLN 92 Cb 0.07 0.18 0.03 0.00 0.80 0.00 0.00 33.01 34.10 1s9c s GLN 92 CO 0.06 -0.09 0.13 -0.47 -0.50 0.00 0.00 175.29 174.43 1s9c s TYR 93 N -0.62 -0.14 -0.01 1.67 6.14 -1.04 -1.63 117.35 121.71 1s9c s TYR 93 Ca -0.07 0.43 0.01 0.00 0.64 0.00 0.00 57.07 58.08 1s9c s TYR 93 Cb -0.04 -0.09 0.01 0.00 0.42 0.00 0.00 41.96 42.26 1s9c s TYR 93 CO 0.01 -0.15 -0.04 -1.17 0.64 0.00 0.00 175.55 174.84 1s9c s LEU 94 N 1.05 1.77 -0.04 6.97 2.96 -0.39 -0.75 118.68 130.25 1s9c s LEU 94 Ca -0.08 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1s9c s LEU 94 Cb -0.11 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.30 1s9c s LEU 94 CO -0.05 0.02 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.22 1s9c s GLU 95 N 0.22 0.99 -0.41 1.98 2.12 -0.38 -0.78 118.70 122.45 1s9c s GLU 95 Ca -0.02 -0.25 -0.07 0.00 0.36 0.00 0.00 54.97 54.99 1s9c s GLU 95 Cb -0.06 -0.92 0.08 0.00 0.26 0.00 0.00 34.13 33.49 1s9c s GLU 95 CO -0.00 0.04 0.23 -0.51 -0.54 0.00 0.00 175.26 174.47 1s9c s LEU 96 N 0.48 5.06 0.52 2.70 1.43 0.20 -1.09 118.68 127.97 1s9c s LEU 96 Ca -0.07 -1.58 0.31 0.00 -1.03 0.00 0.00 54.13 51.75 1s9c s LEU 96 Cb -0.11 -1.93 1.13 0.00 0.03 0.00 0.00 46.19 45.31 1s9c s LEU 96 CO 0.01 -0.51 1.90 1.88 0.23 0.00 0.00 176.35 179.85 1s9c h TYR 97 N 8.31 0.00 -2.46 0.29 -1.99 -0.50 -3.44 116.97 117.18 1s9c h TYR 97 Ca -0.21 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.43 1s9c h TYR 97 Cb 1.07 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.59 1s9c h TYR 97 CO 0.60 0.02 -0.07 0.15 -0.00 0.00 0.00 178.16 178.86 1s9c s LYS 98 N -3.58 0.69 0.24 4.88 1.02 -1.08 -5.01 119.74 116.90 1s9c s LYS 98 Ca 0.02 0.56 -0.31 0.00 0.02 0.00 0.00 55.97 56.26 1s9c s LYS 98 Cb 0.08 0.33 -0.14 0.00 -0.52 0.00 0.00 37.83 37.58 1s9c s LYS 98 CO 0.58 -0.12 1.22 -2.30 -0.92 0.00 0.00 175.35 173.81 1s9c n PRO 99 N 2.34 1.61 -2.29 -1.68 -0.02 -1.26 -4.83 135.00 128.86 1s9c n PRO 99 Ca -0.15 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1s9c n PRO 99 Cb 0.56 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1s9c n PRO 99 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s9c s LEU 100 N 0.24 4.39 0.78 2.45 1.43 -1.26 -4.99 118.68 121.71 1s9c s LEU 100 Ca 0.66 2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.85 1s9c s LEU 100 Cb -0.72 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 41.98 1s9c s LEU 100 CO 0.54 -0.54 1.15 -2.16 0.23 0.00 0.00 176.35 175.58 1s9c s PRO 101 N 0.78 1.95 0.00 1.29 0.04 -1.26 -4.42 135.00 133.37 1s9c s PRO 101 Ca 0.60 1.54 0.14 0.00 0.04 0.00 0.00 61.00 63.31 1s9c s PRO 101 Cb -0.34 -1.83 0.78 0.00 0.04 0.00 0.00 34.50 33.15 1s9c s PRO 101 CO 0.32 -1.94 1.28 2.89 0.04 0.00 0.00 177.00 179.59 1s9c n ARG 102 N -3.25 0.35 0.00 4.56 1.85 -1.26 -4.71 116.66 114.20 1s9c n ARG 102 Ca 0.12 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1s9c n ARG 102 Cb 0.51 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1s9c n ARG 102 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s9c n ALA 103 N -1.10 0.00 0.00 2.89 0.00 -1.26 -2.93 120.51 118.11 1s9c n ALA 103 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1s9c n ALA 103 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1s9c n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9c n GLY 104 N -0.10 2.09 3.53 0.00 0.00 -0.27 -4.98 105.19 105.45 1s9c n GLY 104 Ca 0.00 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1s9c n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9c s LYS 105 N -1.63 2.40 0.02 1.61 1.02 -1.26 -1.10 119.74 120.79 1s9c s LYS 105 Ca 0.00 -0.79 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 1s9c s LYS 105 Cb 0.00 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1s9c s LYS 105 CO 0.00 0.59 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.49 1s9c s LEU 106 N -1.27 2.19 -0.18 3.17 1.43 -0.90 -4.74 118.68 118.39 1s9c s LEU 106 Ca 0.15 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1s9c s LEU 106 Cb -0.11 0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 1s9c s LEU 106 CO 0.05 -0.26 0.04 -0.75 0.23 0.00 0.00 176.35 175.66 1s9c s LYS 107 N -1.26 3.87 0.08 1.70 2.20 0.40 -2.54 119.74 124.19 1s9c s LYS 107 Ca -0.14 -0.40 0.08 0.00 -0.36 0.00 0.00 55.97 55.15 1s9c s LYS 107 Cb -0.09 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1s9c s LYS 107 CO -0.01 0.21 -0.19 0.00 -0.36 0.00 0.00 175.35 175.00 1s9c s GLU 109 N -1.75 0.26 0.43 0.00 2.02 0.19 -2.13 118.70 117.72 1s9c s GLU 109 Ca 0.16 0.10 0.07 0.00 0.02 0.00 0.00 54.97 55.32 1s9c s GLU 109 Cb -0.10 -0.47 -0.03 0.00 0.10 0.00 0.00 34.13 33.63 1s9c s GLU 109 CO 0.07 -0.15 0.30 0.00 0.02 0.00 0.00 175.26 175.50 1s9c s ALA 110 N 1.09 3.89 -0.01 5.21 0.00 -1.26 -1.33 121.76 129.35 1s9c s ALA 110 Ca -0.09 -1.93 -0.29 0.00 0.00 0.00 0.00 51.96 49.65 1s9c s ALA 110 Cb -0.13 -0.73 0.08 0.00 0.00 0.00 0.00 23.12 22.34 1s9c s ALA 110 CO -0.02 -0.22 0.70 0.08 0.00 0.00 0.00 175.76 176.30 1s9c s VAL 111 N -2.55 0.00 -0.97 0.00 1.01 -0.55 -2.48 120.40 114.86 1s9c s VAL 111 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1s9c s VAL 111 Cb -0.00 -1.00 0.30 0.00 0.00 0.00 0.00 36.38 35.68 1s9c s VAL 111 CO 0.25 0.00 1.99 0.52 0.00 0.00 0.00 175.10 177.87 1s9c n VAL 112 N 0.56 5.13 0.00 2.92 0.31 -1.20 -2.16 118.33 123.88 1s9c n VAL 112 Ca -0.17 -5.16 0.00 0.00 -0.01 0.00 0.00 64.34 59.00 1s9c n VAL 112 Cb 0.59 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1s9c n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s9c n ALA 113 N 0.01 0.00 -3.42 3.52 0.00 -1.15 -4.33 120.51 115.14 1s9c n ALA 113 Ca 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1s9c n ALA 113 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 1s9c n ALA 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s9c s ASP 114 N -4.55 -0.57 0.38 0.00 -1.08 -1.08 -4.67 116.67 105.10 1s9c s ASP 114 Ca 0.00 0.07 0.06 0.00 -0.52 0.00 0.00 52.55 52.16 1s9c s ASP 114 Cb 0.00 0.59 -0.07 0.00 -1.46 0.00 0.00 42.92 41.97 1s9c s ASP 114 CO 0.00 -0.92 0.02 -0.69 0.52 0.00 0.00 175.17 174.10 1s9c s VAL 115 N -3.45 1.76 0.00 1.11 1.01 -1.26 -1.05 120.40 118.52 1s9c s VAL 115 Ca -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.97 1s9c s VAL 115 Cb -0.01 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1s9c s VAL 115 CO -0.10 -0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.17 1s9c n LEU 116 N -0.87 0.00 -3.69 3.92 4.77 0.19 -4.91 117.00 116.40 1s9c n LEU 116 Ca -0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 1s9c n LEU 116 Cb 0.67 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.67 1s9c n LEU 116 CO 0.47 0.00 0.18 -0.62 -1.33 0.00 0.00 177.39 176.09 1s9c s ASP 117 N 0.38 -0.57 0.00 -1.43 2.15 -1.26 -4.16 116.67 111.78 1s9c s ASP 117 Ca 0.00 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.03 1s9c s ASP 117 Cb 0.00 1.03 0.00 0.00 -0.30 0.00 0.00 42.92 43.65 1s9c s ASP 117 CO 0.00 -0.19 0.12 0.29 -0.17 0.00 0.00 175.17 175.22 1s9c n LYS 118 N 3.19 -0.04 0.00 4.34 4.76 -1.26 -4.88 118.16 124.27 1s9c n LYS 118 Ca -0.16 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1s9c n LYS 118 Cb 0.56 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 33.18 1s9c n LYS 118 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s9c n GLY 119 N 0.03 1.12 3.14 0.72 0.00 -1.26 -5.14 105.19 103.80 1s9c n GLY 119 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1s9c n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9c s VAL 122 N -2.00 -0.95 0.38 1.61 0.11 -1.26 -5.17 120.40 113.12 1s9c s VAL 122 Ca 0.00 -0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.69 1s9c s VAL 122 Cb 0.00 0.00 -0.11 0.00 -1.53 0.00 0.00 36.38 34.74 1s9c s VAL 122 CO 0.00 0.00 1.41 0.52 -3.33 0.00 0.00 175.10 173.70 1s9c n VAL 123 N 4.24 2.12 -3.53 2.04 0.31 -1.26 -3.04 118.33 119.21 1s9c n VAL 123 Ca 0.11 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.66 1s9c n VAL 123 Cb 0.57 -1.83 -0.11 0.00 -0.91 0.00 0.00 33.84 31.56 1s9c n VAL 123 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1s9c s ILE 124 N -1.13 0.73 -0.13 2.52 2.07 -0.83 -0.64 121.20 123.79 1s9c s ILE 124 Ca 0.55 -2.46 -0.34 0.00 -1.41 0.00 0.00 60.65 56.99 1s9c s ILE 124 Cb -0.50 -1.51 -0.11 0.00 0.13 0.00 0.00 42.46 40.47 1s9c s ILE 124 CO 0.62 -1.06 1.94 -0.38 -1.91 0.00 0.00 174.94 174.15 1s9c n ILE 125 N 3.32 0.52 -4.06 2.00 -0.00 -0.22 -3.73 119.36 117.19 1s9c n ILE 125 Ca 0.18 -0.15 -0.29 0.00 -0.00 0.00 0.00 62.75 62.50 1s9c n ILE 125 Cb 0.40 -1.90 -0.17 0.00 -0.00 0.00 0.00 39.64 37.98 1s9c n ILE 125 CO 0.00 0.00 0.00 -0.32 -0.00 0.00 0.00 176.55 176.23 1s9c s MET 126 N 4.49 2.01 -0.03 0.38 -2.45 -0.49 -2.65 119.30 120.56 1s9c s MET 126 Ca 0.95 -0.45 -0.06 0.00 -1.25 0.00 0.00 55.69 54.88 1s9c s MET 126 Cb -0.69 -1.88 -0.04 0.00 1.25 0.00 0.00 34.83 33.47 1s9c s MET 126 CO 0.51 -0.21 0.22 -0.51 1.05 0.00 0.00 175.02 176.07 1s9c s ASP 127 N 1.46 6.45 -0.09 1.11 1.01 -0.92 -0.90 116.67 124.80 1s9c s ASP 127 Ca 0.03 0.51 -0.03 0.00 0.71 0.00 0.00 52.55 53.76 1s9c s ASP 127 Cb -0.13 -2.07 0.05 0.00 1.01 0.00 0.00 42.92 41.78 1s9c s ASP 127 CO -0.08 0.30 0.15 0.54 0.21 0.00 0.00 175.17 176.29 1s9c s VAL 128 N -1.22 -0.24 -0.14 -1.27 0.11 -0.02 -1.49 120.40 116.14 1s9c s VAL 128 Ca 0.24 0.32 -0.07 0.00 -2.93 0.00 0.00 61.98 59.54 1s9c s VAL 128 Cb -0.13 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 1s9c s VAL 128 CO 0.13 0.12 0.11 -0.31 -3.33 0.00 0.00 175.10 171.82 1s9c s TYR 129 N 2.28 3.45 -0.17 1.54 1.51 -0.44 -1.51 117.35 124.00 1s9c s TYR 129 Ca 0.03 0.38 0.01 0.00 -1.01 0.00 0.00 57.07 56.48 1s9c s TYR 129 Cb -0.12 -1.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1s9c s TYR 129 CO -0.06 0.54 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.63 1s9c s SER 130 N -0.58 3.41 0.08 2.29 0.01 -0.79 -0.64 113.70 117.49 1s9c s SER 130 Ca 0.12 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 56.87 1s9c s SER 130 Cb -0.12 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 1s9c s SER 130 CO 0.02 0.04 -0.01 -0.31 0.41 0.00 0.00 173.24 173.39 1s9c s TYR 131 N 1.06 2.98 -0.09 2.43 1.51 0.14 -0.74 117.35 124.64 1s9c s TYR 131 Ca -0.01 -0.03 -0.13 0.00 -1.01 0.00 0.00 57.07 55.89 1s9c s TYR 131 Cb -0.14 -1.54 -0.11 0.00 -0.11 0.00 0.00 41.96 40.06 1s9c s TYR 131 CO -0.05 0.47 0.46 1.03 -1.11 0.00 0.00 175.55 176.34 1s9c h SER 132 N 3.56 -0.10 0.00 2.29 0.87 -1.85 0.12 113.55 118.44 1s9c h SER 132 Ca -0.48 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 1s9c h SER 132 Cb 1.17 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1s9c h SER 132 CO 0.59 0.51 0.00 1.21 -0.53 0.00 0.00 176.83 178.61 1s9c n GLU 133 N -4.82 0.00 0.00 2.24 2.13 -1.26 -4.57 120.64 114.36 1s9c n GLU 133 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1s9c n GLU 133 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.91 1s9c n GLU 133 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1s9c n GLU 135 N 0.00 0.00 -1.68 5.31 2.13 -1.26 -5.17 120.64 119.97 1s9c n GLU 135 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1s9c n GLU 135 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1s9c n GLU 135 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1s9c n LEU 136 N 0.00 4.08 -0.09 4.31 7.94 -1.26 -4.43 117.00 127.55 1s9c n LEU 136 Ca 0.00 0.96 -0.18 0.00 -1.11 0.00 0.00 56.01 55.68 1s9c n LEU 136 Cb 0.00 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.36 1s9c n LEU 136 CO 0.00 0.18 -1.00 -0.38 -1.11 0.00 0.00 177.39 175.08 1s9c n ILE 137 N 5.00 1.25 -4.03 1.96 5.41 0.08 -4.60 119.36 124.43 1s9c n ILE 137 Ca 0.19 -0.14 -0.08 0.00 1.00 0.00 0.00 62.75 63.72 1s9c n ILE 137 Cb 0.38 -1.91 -0.10 0.00 -0.71 0.00 0.00 39.64 37.30 1s9c n ILE 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s9c s HIS 139 N -3.32 1.58 -0.06 0.00 2.46 -0.25 -1.88 115.29 113.82 1s9c s HIS 139 Ca 0.01 -0.63 0.04 0.00 0.47 0.00 0.00 55.06 54.96 1s9c s HIS 139 Cb 0.03 -1.16 -0.02 0.00 -0.13 0.00 0.00 32.58 31.30 1s9c s HIS 139 CO -0.08 -0.33 -0.18 -0.80 -2.47 0.00 0.00 174.74 170.88 1s9c s ASN 140 N 0.77 3.65 -0.38 9.88 0.01 -0.57 -1.25 114.94 127.05 1s9c s ASN 140 Ca -0.12 -0.33 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 1s9c s ASN 140 Cb -0.16 -0.84 0.11 0.00 0.41 0.00 0.00 41.25 40.78 1s9c s ASN 140 CO 0.02 0.30 0.14 -1.58 -1.51 0.00 0.00 177.10 174.48 1s9c s GLN 141 N -0.46 1.22 -0.15 -0.60 0.74 0.07 -0.84 119.66 119.63 1s9c s GLN 141 Ca 0.06 -1.72 -0.27 0.00 0.05 0.00 0.00 55.36 53.47 1s9c s GLN 141 Cb -0.12 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.42 1s9c s GLN 141 CO 0.01 -1.04 0.91 -0.06 -0.55 0.00 0.00 175.29 174.57 1s9c s PHE 142 N 0.86 3.45 -0.52 1.67 0.40 -0.08 -2.50 117.98 121.26 1s9c s PHE 142 Ca 0.13 1.40 -0.16 0.00 -0.60 0.00 0.00 56.93 57.70 1s9c s PHE 142 Cb -0.21 -3.10 0.11 0.00 0.51 0.00 0.00 43.02 40.34 1s9c s PHE 142 CO -0.11 -0.25 0.47 0.45 0.70 0.00 0.00 175.22 176.49 1s9c s SER 143 N 1.13 6.18 0.64 1.36 0.15 -0.93 -1.40 113.70 120.83 1s9c s SER 143 Ca 0.42 -1.61 0.04 0.00 0.70 0.00 0.00 55.95 55.51 1s9c s SER 143 Cb -0.17 -2.21 0.10 0.00 -1.71 0.00 0.00 66.02 62.04 1s9c s SER 143 CO 0.14 -0.80 0.88 -0.76 1.20 0.00 0.00 173.24 173.90 1s9c s LEU 144 N 1.67 3.07 -0.08 3.45 1.43 -1.24 -1.01 118.68 125.97 1s9c s LEU 144 Ca 0.04 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1s9c s LEU 144 Cb -0.28 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1s9c s LEU 144 CO 0.04 -1.57 0.29 0.12 0.23 0.00 0.00 176.35 175.47 1s9c s PHE 145 N -2.89 -0.27 0.00 0.29 5.36 0.72 -1.96 117.98 119.24 1s9c s PHE 145 Ca 0.64 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 1s9c s PHE 145 Cb -0.06 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.72 1s9c s PHE 145 CO 0.41 -0.23 0.00 -0.11 -1.46 0.00 0.00 175.22 173.83 1s9c n LEU 146 N 2.38 0.00 0.13 6.12 7.94 -1.17 -0.71 117.00 131.69 1s9c n LEU 146 Ca -0.16 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.80 1s9c n LEU 146 Cb 0.57 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.56 1s9c n LEU 146 CO 0.18 0.00 0.33 0.03 -1.11 0.00 0.00 177.39 176.82 1s9c h ARG 156 N 0.00 0.00 0.00 1.96 3.08 -1.99 -3.44 114.38 113.99 1s9c h ARG 156 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s9c h ARG 156 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1s9c h ARG 156 CO 0.00 0.27 0.00 0.25 -1.07 0.00 0.00 179.97 179.42 1s9c n THR 157 N -3.05 0.00 -3.63 2.04 -2.24 -1.26 -4.99 114.28 101.15 1s9c n THR 157 Ca -0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1s9c n THR 157 Cb 0.68 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 1s9c n THR 157 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s9c s SER 158 N 1.01 -0.98 0.10 3.42 0.15 -1.26 -4.99 113.70 111.16 1s9c s SER 158 Ca 0.00 1.45 0.15 0.00 0.70 0.00 0.00 55.95 58.25 1s9c s SER 158 Cb 0.00 1.77 0.65 0.00 -1.71 0.00 0.00 66.02 66.73 1s9c s SER 158 CO 0.00 -0.22 1.45 -0.90 1.20 0.00 0.00 173.24 174.78 1s9c n ASP 159 N 4.78 0.24 -0.70 5.45 5.75 -1.26 -2.21 116.55 128.59 1s9c n ASP 159 Ca -0.16 0.57 0.11 0.00 -0.01 0.00 0.00 54.79 55.31 1s9c n ASP 159 Cb 0.54 -0.62 0.34 0.00 -1.03 0.00 0.00 41.12 40.36 1s9c n ASP 159 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1s9c n LYS 160 N -1.78 1.93 -4.05 0.11 5.02 -1.26 -4.97 118.16 113.17 1s9c n LYS 160 Ca 0.02 -1.40 -0.30 0.00 -2.02 0.00 0.00 58.31 54.61 1s9c n LYS 160 Cb 0.13 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1s9c n LYS 160 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1s9c s VAL 161 N -1.77 4.57 -0.80 -0.18 -7.23 -0.94 -4.93 120.40 109.12 1s9c s VAL 161 Ca 0.34 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.53 1s9c s VAL 161 Cb 0.19 -3.22 0.11 0.00 0.56 0.00 0.00 36.38 34.03 1s9c s VAL 161 CO 0.29 0.10 1.00 -0.54 -0.31 0.00 0.00 175.10 175.64 1s9c s LYS 162 N -2.48 3.38 0.47 4.82 -0.14 -1.26 -5.01 119.74 119.52 1s9c s LYS 162 Ca 0.30 -1.47 -0.24 0.00 -1.36 0.00 0.00 55.97 53.20 1s9c s LYS 162 Cb -0.12 -4.60 -0.08 0.00 -1.68 0.00 0.00 37.83 31.35 1s9c s LYS 162 CO 0.22 -1.73 1.37 0.28 -0.76 0.00 0.00 175.35 174.74 1s9c n VAL 163 N 5.55 3.05 -1.67 3.17 0.31 -1.26 -4.98 118.33 122.50 1s9c n VAL 163 Ca 0.11 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.64 1s9c n VAL 163 Cb 0.47 -1.73 0.15 0.00 -0.91 0.00 0.00 33.84 31.82 1s9c n VAL 163 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s9c s ALA 164 N -1.23 1.97 -0.01 3.52 0.00 -1.26 -5.01 121.76 119.75 1s9c s ALA 164 Ca 0.64 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1s9c s ALA 164 Cb -0.45 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1s9c s ALA 164 CO 0.55 -2.31 -0.00 0.08 0.00 0.00 0.00 175.76 174.08 1s9c s VAL 165 N -3.46 0.07 0.48 0.00 1.01 0.12 -5.05 120.40 113.57 1s9c s VAL 165 Ca 0.66 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.44 1s9c s VAL 165 Cb -0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 36.38 36.10 1s9c s VAL 165 CO 0.52 0.05 1.21 0.00 0.00 0.00 0.00 175.10 176.88 1s9c s ALA 166 N 0.30 2.94 0.45 5.51 0.00 -1.26 -3.71 121.76 125.98 1s9c s ALA 166 Ca -0.03 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 1s9c s ALA 166 Cb -0.04 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1s9c s ALA 166 CO -0.01 -0.82 0.93 0.96 0.00 0.00 0.00 175.76 176.82 1s9c s ILE 167 N -1.49 4.50 0.47 0.00 -4.36 -1.26 -4.99 121.20 114.07 1s9c s ILE 167 Ca 0.65 1.28 -0.23 0.00 -0.26 0.00 0.00 60.65 62.09 1s9c s ILE 167 Cb -0.31 -3.65 -0.09 0.00 1.25 0.00 0.00 42.46 39.66 1s9c s ILE 167 CO 0.38 -0.45 1.08 -2.65 0.24 0.00 0.00 174.94 173.54 1s9c n PRO 168 N -0.98 1.40 -2.55 0.37 -0.02 -1.26 -4.88 135.00 127.07 1s9c n PRO 168 Ca 0.06 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1s9c n PRO 168 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1s9c n PRO 168 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s9c n ASN 169 N 0.06 5.17 -3.56 2.55 2.85 -1.26 -4.86 115.26 116.21 1s9c n ASN 169 Ca 0.10 -3.08 -0.08 0.00 -0.11 0.00 0.00 54.58 51.41 1s9c n ASN 169 Cb 0.41 -1.50 -0.03 0.00 1.24 0.00 0.00 39.78 39.90 1s9c n ASN 169 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s9c s ARG 170 N 0.67 0.59 0.45 1.20 1.70 -1.26 -5.14 118.95 117.16 1s9c s ARG 170 Ca 0.40 -0.09 -0.24 0.00 -0.47 0.00 0.00 55.73 55.33 1s9c s ARG 170 Cb 0.05 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.62 1s9c s ARG 170 CO 0.01 -0.23 1.20 -0.35 -1.08 0.00 0.00 175.30 174.84 1s9c n PRO 171 N 0.15 1.68 -1.61 3.89 -0.04 -1.26 -4.90 135.00 132.91 1s9c n PRO 171 Ca -0.07 0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 63.61 1s9c n PRO 171 Cb 0.59 -2.31 0.03 0.00 -0.04 0.00 0.00 33.50 31.77 1s9c n PRO 171 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1s9c n PRO 172 N -0.16 1.09 0.13 0.54 -0.02 -1.26 -4.93 135.00 130.38 1s9c n PRO 172 Ca 0.08 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1s9c n PRO 172 Cb 0.41 -2.10 0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1s9c n PRO 172 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s9c h ASP 173 N 0.92 0.00 -4.61 2.55 3.32 -0.58 -3.47 116.42 114.55 1s9c h ASP 173 Ca -0.47 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.60 1s9c h ASP 173 Cb 1.35 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.70 1s9c h ASP 173 CO 0.53 0.63 0.36 0.00 -1.72 0.00 0.00 179.24 179.04 1s9c s ALA 174 N -3.16 -1.83 -0.14 3.45 0.00 -1.10 -5.03 121.76 113.95 1s9c s ALA 174 Ca 0.01 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 1s9c s ALA 174 Cb 0.10 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.09 1s9c s ALA 174 CO 0.75 -0.40 0.28 0.54 0.00 0.00 0.00 175.76 176.93 1s9c s VAL 175 N -1.49 -0.43 0.00 0.00 0.11 -1.26 -0.48 120.40 116.85 1s9c s VAL 175 Ca -0.05 0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1s9c s VAL 175 Cb -0.00 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1s9c s VAL 175 CO 0.03 0.11 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.13 1s9c s LEU 176 N 2.43 3.36 0.11 2.54 1.43 -0.96 -4.93 118.68 122.65 1s9c s LEU 176 Ca 0.01 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1s9c s LEU 176 Cb -0.12 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1s9c s LEU 176 CO -0.09 0.28 0.06 0.42 0.23 0.00 0.00 176.35 177.25 1s9c s THR 177 N -1.05 4.30 -0.02 5.49 -4.23 -1.26 -1.56 115.64 117.30 1s9c s THR 177 Ca 0.19 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1s9c s THR 177 Cb -0.11 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.65 1s9c s THR 177 CO 0.09 0.05 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.41 1s9c s ASP 178 N -2.57 0.39 -0.27 3.99 1.11 -0.80 -5.00 116.67 113.51 1s9c s ASP 178 Ca 0.28 -0.03 -0.16 0.00 0.18 0.00 0.00 52.55 52.82 1s9c s ASP 178 Cb -0.11 -0.17 -0.03 0.00 1.07 0.00 0.00 42.92 43.67 1s9c s ASP 178 CO 0.21 -0.07 0.42 -0.89 1.18 0.00 0.00 175.17 176.02 1s9c s THR 179 N 0.75 5.14 0.38 -1.27 2.01 -1.26 -0.75 115.64 120.63 1s9c s THR 179 Ca -0.07 0.68 -0.24 0.00 0.31 0.00 0.00 61.69 62.37 1s9c s THR 179 Cb -0.11 -3.74 -0.10 0.00 0.01 0.00 0.00 72.50 68.56 1s9c s THR 179 CO -0.01 0.13 0.95 -0.89 -0.69 0.00 0.00 174.62 174.11 1s9c s THR 180 N 2.15 4.30 0.38 -0.82 2.01 -0.80 -5.01 115.64 117.85 1s9c s THR 180 Ca 0.17 1.66 -0.12 0.00 0.31 0.00 0.00 61.69 63.71 1s9c s THR 180 Cb -0.16 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 1s9c s THR 180 CO 0.10 -0.08 0.76 -0.55 -0.69 0.00 0.00 174.62 174.15 1s9c s SER 181 N -1.89 6.61 0.64 3.53 0.15 -1.26 -3.47 113.70 118.01 1s9c s SER 181 Ca 0.56 1.19 0.42 0.00 0.70 0.00 0.00 55.95 58.82 1s9c s SER 181 Cb -0.14 -2.34 2.18 0.00 -1.71 0.00 0.00 66.02 64.01 1s9c s SER 181 CO 0.18 -0.33 2.28 0.25 1.20 0.00 0.00 173.24 176.82 1s9c h LEU 182 N 1.61 0.00 -2.99 3.45 5.85 -1.91 -0.82 115.31 120.49 1s9c h LEU 182 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1s9c h LEU 182 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1s9c h LEU 182 CO 0.64 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 179.33 1s9c n ASN 183 N -3.08 3.26 -0.21 1.25 3.02 -1.26 -4.72 115.26 113.51 1s9c n ASN 183 Ca -0.02 -2.29 0.01 0.00 -0.03 0.00 0.00 54.58 52.25 1s9c n ASN 183 Cb 0.13 -0.33 0.09 0.00 -0.61 0.00 0.00 39.78 39.06 1s9c n ASN 183 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1s9c h GLN 184 N 2.05 0.06 -0.51 3.52 5.75 -1.52 0.05 115.11 124.51 1s9c h GLN 184 Ca 0.00 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1s9c h GLN 184 Cb 0.95 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.47 1s9c h GLN 184 CO 0.07 0.04 0.03 0.00 -2.65 0.00 0.00 178.83 176.32 1s9c h ALA 185 N 1.60 0.68 -0.17 3.38 0.00 -1.84 0.54 119.26 123.45 1s9c h ALA 185 Ca 0.32 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1s9c h ALA 185 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1s9c h ALA 185 CO -0.59 0.46 0.13 0.00 0.00 0.00 0.00 179.25 179.25 1s9c h ALA 186 N 0.95 2.15 0.05 0.00 0.00 -1.32 -1.06 119.26 120.03 1s9c h ALA 186 Ca 0.15 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 1s9c h ALA 186 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1s9c h ALA 186 CO 0.02 -0.22 -1.39 1.25 0.00 0.00 0.00 179.25 178.91 1s9c h LEU 187 N 0.00 0.15 -1.65 0.00 5.85 -0.68 -3.38 115.31 115.60 1s9c h LEU 187 Ca 0.08 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 58.14 1s9c h LEU 187 Cb 0.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1s9c h LEU 187 CO -0.00 1.57 0.27 0.22 -0.34 0.00 0.00 178.44 180.16 1s9c h TYR 188 N -0.66 0.45 0.00 1.25 3.20 -0.69 -1.35 116.97 119.17 1s9c h TYR 188 Ca -0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 1s9c h TYR 188 Cb 1.52 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.64 1s9c h TYR 188 CO 0.11 0.27 -0.06 0.07 -1.64 0.00 0.00 178.16 176.90 1s9c h ARG 189 N 0.47 0.00 0.00 1.82 0.11 -1.38 -1.43 114.38 113.98 1s9c h ARG 189 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 1s9c h ARG 189 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1s9c h ARG 189 CO -0.04 0.06 0.00 1.28 0.10 0.00 0.00 179.97 181.38 1s9c n LEU 190 N -3.62 0.00 -1.06 0.08 4.77 -0.51 -1.27 117.00 115.39 1s9c n LEU 190 Ca -0.02 0.39 0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1s9c n LEU 190 Cb 0.17 -0.39 0.24 0.00 -2.33 0.00 0.00 43.42 41.11 1s9c n LEU 190 CO 0.28 -0.33 0.69 -1.20 -1.33 0.00 0.00 177.39 175.50 1s9c n SER 191 N -1.39 3.08 0.00 -1.43 7.64 -0.54 -4.95 113.62 116.03 1s9c n SER 191 Ca 0.02 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1s9c n SER 191 Cb 0.04 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1s9c n SER 191 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s9c n GLY 192 N 1.17 3.73 3.55 0.23 0.00 -0.39 -5.01 105.19 108.47 1s9c n GLY 192 Ca 0.18 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1s9c n GLY 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s9c s ASP 193 N 0.00 6.12 -0.01 1.61 -1.08 -1.23 -4.83 116.67 117.24 1s9c s ASP 193 Ca 0.00 -0.56 0.12 0.00 -0.52 0.00 0.00 52.55 51.59 1s9c s ASP 193 Cb 0.00 -2.56 0.36 0.00 -1.46 0.00 0.00 42.92 39.26 1s9c s ASP 193 CO 0.00 -1.85 1.28 0.79 0.52 0.00 0.00 175.17 175.91 1s9c n TRP 194 N 9.71 0.59 -1.66 -5.34 7.02 -1.26 -4.57 117.44 121.93 1s9c n TRP 194 Ca 0.11 -0.28 -0.59 0.00 -1.02 0.00 0.00 57.50 55.72 1s9c n TRP 194 Cb 0.50 -0.03 -0.08 0.00 -2.42 0.00 0.00 31.31 29.28 1s9c n TRP 194 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1s9c n ASN 195 N 0.64 1.56 0.32 -0.99 2.85 -1.26 -4.77 115.26 113.61 1s9c n ASN 195 Ca 0.13 1.12 0.20 0.00 -0.11 0.00 0.00 54.58 55.93 1s9c n ASN 195 Cb 0.37 -1.06 1.09 0.00 1.24 0.00 0.00 39.78 41.42 1s9c n ASN 195 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s9c h PRO 196 N 5.40 0.00 -0.26 1.20 0.11 -1.97 -2.31 132.00 134.16 1s9c h PRO 196 Ca -0.47 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1s9c h PRO 196 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1s9c h PRO 196 CO 0.87 0.00 0.34 1.25 -0.21 0.00 0.00 178.00 180.25 1s9c h LEU 197 N 0.00 0.00 -2.26 2.35 5.85 -1.87 0.71 115.31 120.08 1s9c h LEU 197 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1s9c h LEU 197 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1s9c h LEU 197 CO -0.00 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.51 1s9c n HIS 198 N -3.60 0.59 0.00 1.25 8.25 -0.87 -2.74 115.22 118.11 1s9c n HIS 198 Ca 0.04 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1s9c n HIS 198 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1s9c n HIS 198 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1s9c n ILE 199 N 1.39 0.00 -2.59 1.59 3.06 -0.18 -4.60 119.36 118.04 1s9c n ILE 199 Ca 0.20 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 60.03 1s9c n ILE 199 Cb 0.57 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.73 1s9c n ILE 199 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1s9c s ASP 200 N -1.33 7.18 0.11 9.51 2.15 0.06 -4.90 116.67 129.46 1s9c s ASP 200 Ca 0.00 1.70 -0.25 0.00 0.43 0.00 0.00 52.55 54.43 1s9c s ASP 200 Cb 0.00 -2.56 -0.10 0.00 -0.30 0.00 0.00 42.92 39.96 1s9c s ASP 200 CO 0.00 -0.46 1.68 -0.65 -0.17 0.00 0.00 175.17 175.56 1s9c h PRO 201 N 7.14 -0.30 0.06 4.34 0.11 -1.96 -2.70 132.00 138.69 1s9c h PRO 201 Ca -0.35 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.79 1s9c h PRO 201 Cb 1.17 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1s9c h PRO 201 CO 0.84 -0.20 -0.09 -0.91 -0.21 0.00 0.00 178.00 177.43 1s9c h ASN 202 N -0.31 -0.26 -0.27 -2.05 2.35 -1.95 -1.77 115.58 111.33 1s9c h ASN 202 Ca 0.02 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1s9c h ASN 202 Cb 0.33 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.73 1s9c h ASN 202 CO -0.09 -0.14 -0.48 0.15 -1.65 0.00 0.00 177.43 175.22 1s9c h PHE 203 N -0.19 -1.47 -0.71 1.19 3.04 -1.91 0.63 116.94 117.53 1s9c h PHE 203 Ca 0.02 0.07 0.08 0.00 3.98 0.00 0.00 57.97 62.11 1s9c h PHE 203 Cb 0.20 0.68 -0.04 0.00 2.56 0.00 0.00 35.95 39.34 1s9c h PHE 203 CO -0.13 -0.45 0.47 0.00 -2.02 0.00 0.00 178.31 176.18 1s9c h ALA 204 N -0.30 1.78 0.65 2.41 0.00 -1.39 0.15 119.26 122.56 1s9c h ALA 204 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1s9c h ALA 204 Cb 0.55 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1s9c h ALA 204 CO -0.47 0.09 -0.31 1.03 0.00 0.00 0.00 179.25 179.59 1s9c h SER 205 N 0.67 -0.74 -1.10 0.00 0.87 -0.26 0.47 113.55 113.45 1s9c h SER 205 Ca 0.31 0.02 0.30 0.00 -1.23 0.00 0.00 61.79 61.20 1s9c h SER 205 Cb 0.35 0.19 -0.09 0.00 -0.44 0.00 0.00 62.40 62.41 1s9c h SER 205 CO -0.11 -0.36 0.72 0.25 -0.53 0.00 0.00 176.83 176.81 1s9c h LEU 206 N -1.23 0.35 0.00 2.23 6.46 0.64 0.91 115.31 124.67 1s9c h LEU 206 Ca -0.09 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1s9c h LEU 206 Cb 0.68 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1s9c h LEU 206 CO 0.15 0.03 0.00 0.00 -0.62 0.00 0.00 178.44 178.00 1s9c n ALA 207 N -2.52 2.29 -0.22 1.25 0.00 0.47 -4.87 120.51 116.91 1s9c n ALA 207 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1s9c n ALA 207 Cb 1.01 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1s9c n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9c n GLY 208 N 0.74 0.81 3.80 0.00 0.00 0.31 -5.05 105.19 105.80 1s9c n GLY 208 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1s9c n GLY 208 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s9c s PHE 209 N -2.13 3.13 -0.02 1.61 0.08 0.16 -4.99 117.98 115.81 1s9c s PHE 209 Ca 0.00 -0.04 -0.17 0.00 0.12 0.00 0.00 56.93 56.83 1s9c s PHE 209 Cb 0.00 -1.48 -0.10 0.00 -0.57 0.00 0.00 43.02 40.88 1s9c s PHE 209 CO 0.00 0.52 0.73 -0.44 -0.10 0.00 0.00 175.22 175.94 1s9c h ASP 210 N 2.19 -0.53 -4.03 1.36 3.32 -1.89 -3.10 116.42 113.73 1s9c h ASP 210 Ca -0.48 0.02 -0.46 0.00 0.02 0.00 0.00 57.03 56.13 1s9c h ASP 210 Cb 1.21 0.14 -0.19 0.00 0.22 0.00 0.00 39.33 40.70 1s9c h ASP 210 CO 0.62 -0.13 -0.78 -1.59 -1.72 0.00 0.00 179.24 175.65 1s9c s LYS 211 N -3.59 1.06 0.37 3.56 -2.85 -1.26 -4.40 119.74 112.63 1s9c s LYS 211 Ca -0.09 -1.22 -0.14 0.00 -1.00 0.00 0.00 55.97 53.52 1s9c s LYS 211 Cb 0.01 -1.05 -0.11 0.00 -2.06 0.00 0.00 37.83 34.62 1s9c s LYS 211 CO 0.27 0.22 -0.08 -2.30 0.10 0.00 0.00 175.35 173.56 1s9c n PRO 212 N 0.67 0.00 -4.18 1.78 -0.02 -1.26 -4.94 135.00 127.05 1s9c n PRO 212 Ca -0.16 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.08 1s9c n PRO 212 Cb 0.56 -0.74 -0.06 0.00 -0.02 0.00 0.00 33.50 33.23 1s9c n PRO 212 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1s9c s ILE 213 N -1.48 3.99 0.35 4.25 -4.36 -1.11 -4.50 121.20 118.35 1s9c s ILE 213 Ca 0.43 -1.50 -0.25 0.00 -0.26 0.00 0.00 60.65 59.06 1s9c s ILE 213 Cb -0.38 -3.10 -0.10 0.00 1.25 0.00 0.00 42.46 40.14 1s9c s ILE 213 CO 0.49 -0.26 0.98 -0.22 0.24 0.00 0.00 174.94 176.17 1s9c s LEU 214 N -3.46 4.27 0.32 0.37 2.96 0.42 -4.22 118.68 119.34 1s9c s LEU 214 Ca 0.31 1.91 -0.29 0.00 -0.22 0.00 0.00 54.13 55.83 1s9c s LEU 214 Cb -0.08 -4.08 -0.12 0.00 0.50 0.00 0.00 46.19 42.41 1s9c s LEU 214 CO 0.22 -0.21 1.47 1.41 -1.32 0.00 0.00 176.35 177.92 1s9c n HIS 215 N 0.34 2.70 -0.30 5.38 8.25 -1.26 -4.65 115.22 125.67 1s9c n HIS 215 Ca 0.03 0.40 -0.02 0.00 -0.26 0.00 0.00 57.72 57.87 1s9c n HIS 215 Cb 0.50 -2.52 0.10 0.00 1.12 0.00 0.00 29.99 29.18 1s9c n HIS 215 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1s9c h GLY 216 N 3.65 1.19 2.00 -1.41 0.00 -1.97 -1.10 103.07 105.42 1s9c h GLY 216 Ca -0.48 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1s9c h GLY 216 CO 0.70 0.36 0.00 1.41 0.00 0.00 0.00 176.54 179.02 1s9c h LEU 217 N 1.05 0.00 0.00 3.11 3.38 -1.98 -1.37 115.31 119.50 1s9c h LEU 217 Ca 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 1s9c h LEU 217 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1s9c h LEU 217 CO -0.10 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.15 1s9c h THR 219 N -0.49 1.18 -0.12 0.00 2.02 -1.31 -0.38 112.91 113.80 1s9c h THR 219 Ca -0.03 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.75 1s9c h THR 219 Cb 1.04 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1s9c h THR 219 CO 0.05 0.23 -0.08 0.15 0.37 0.00 0.00 175.52 176.24 1s9c h PHE 220 N 1.24 -0.19 -0.52 3.16 3.57 -1.21 -1.76 116.94 121.23 1s9c h PHE 220 Ca 0.38 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.95 1s9c h PHE 220 Cb -0.02 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1s9c h PHE 220 CO -0.01 -0.12 0.24 0.78 -2.23 0.00 0.00 178.31 176.98 1s9c h GLY 221 N -0.08 0.73 0.05 2.40 0.00 0.29 -0.25 103.07 106.21 1s9c h GLY 221 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1s9c h GLY 221 CO -0.17 0.08 -0.10 0.74 0.00 0.00 0.00 176.54 177.09 1s9c h PHE 222 N 0.47 -0.28 -0.61 5.60 -1.00 -0.63 0.19 116.94 120.68 1s9c h PHE 222 Ca 0.24 0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.13 1s9c h PHE 222 Cb 0.18 0.12 -0.08 0.00 3.61 0.00 0.00 35.95 39.78 1s9c h PHE 222 CO -0.12 -0.12 0.17 0.77 -1.61 0.00 0.00 178.31 177.41 1s9c h SER 223 N -0.16 0.10 -0.62 2.17 0.02 -1.25 -0.06 113.55 113.75 1s9c h SER 223 Ca -0.00 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1s9c h SER 223 Cb 0.15 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1s9c h SER 223 CO -0.04 0.06 0.37 0.00 -1.14 0.00 0.00 176.83 176.08 1s9c h ALA 224 N 1.46 0.81 -0.97 3.77 0.00 -0.93 0.26 119.26 123.66 1s9c h ALA 224 Ca 0.32 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1s9c h ALA 224 Cb 0.44 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1s9c h ALA 224 CO -0.36 0.09 0.64 -0.09 0.00 0.00 0.00 179.25 179.52 1s9c h ARG 225 N 0.71 1.22 -0.21 0.00 2.43 0.11 -0.96 114.38 117.68 1s9c h ARG 225 Ca 0.26 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1s9c h ARG 225 Cb 0.07 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1s9c h ARG 225 CO -0.13 0.81 -0.12 0.00 -1.51 0.00 0.00 179.97 179.03 1s9c h ARG 226 N 1.26 0.45 -0.63 0.20 2.47 -0.21 -2.38 114.38 115.54 1s9c h ARG 226 Ca 0.37 -0.20 0.07 0.00 -1.26 0.00 0.00 59.98 58.96 1s9c h ARG 226 Cb -0.05 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.20 1s9c h ARG 226 CO -0.10 0.74 0.32 0.28 0.56 0.00 0.00 179.97 181.77 1s9c h VAL 227 N 0.15 0.91 -0.68 2.04 2.07 -0.54 0.17 116.25 120.37 1s9c h VAL 227 Ca 0.05 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1s9c h VAL 227 Cb 0.62 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1s9c h VAL 227 CO 0.03 0.11 0.33 0.25 0.02 0.00 0.00 177.57 178.31 1s9c h LEU 228 N 0.58 0.42 0.00 2.57 5.85 -1.03 -0.29 115.31 123.42 1s9c h LEU 228 Ca 0.29 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.94 1s9c h LEU 228 Cb 0.24 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1s9c h LEU 228 CO -0.21 0.25 -0.74 0.06 -0.34 0.00 0.00 178.44 177.46 1s9c h GLN 229 N 0.57 0.00 0.20 1.25 3.07 -0.79 -2.12 115.11 117.29 1s9c h GLN 229 Ca 0.33 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.73 1s9c h GLN 229 Cb 0.34 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.92 1s9c h GLN 229 CO -0.26 0.55 -1.61 0.37 0.09 0.00 0.00 178.83 177.97 1s9c h GLN 230 N 0.00 0.43 -0.12 0.06 5.75 -0.27 -3.33 115.11 117.63 1s9c h GLN 230 Ca -0.03 -0.74 0.00 0.00 -0.15 0.00 0.00 58.65 57.73 1s9c h GLN 230 Cb 1.48 0.27 0.00 0.00 1.07 0.00 0.00 27.48 30.31 1s9c h GLN 230 CO 0.07 1.34 0.00 1.19 -2.65 0.00 0.00 178.83 178.78 1s9c n PHE 231 N -3.62 0.17 -1.42 3.99 3.72 -0.16 -4.68 117.46 115.46 1s9c n PHE 231 Ca -0.20 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 1s9c n PHE 231 Cb 1.08 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 1s9c n PHE 231 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s9c n ALA 232 N -0.15 1.29 -3.88 4.37 0.00 -0.96 -5.03 120.51 116.16 1s9c n ALA 232 Ca 0.04 -0.53 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 1s9c n ALA 232 Cb 0.32 -0.12 0.02 0.00 0.00 0.00 0.00 19.45 19.66 1s9c n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s9c n ASP 233 N 0.00 -2.84 -1.55 0.00 8.00 -1.16 -1.15 116.55 117.85 1s9c n ASP 233 Ca 0.00 -0.84 -0.11 0.00 0.71 0.00 0.00 54.79 54.55 1s9c n ASP 233 Cb 0.55 -3.73 -0.04 0.00 -0.02 0.00 0.00 41.12 37.88 1s9c n ASP 233 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s9c n ASN 234 N -2.91 -2.99 -4.48 -2.24 5.03 -0.84 -4.84 115.26 101.98 1s9c n ASN 234 Ca -0.12 0.26 -0.43 0.00 0.87 0.00 0.00 54.58 55.16 1s9c n ASN 234 Cb 0.60 -2.81 -0.02 0.00 -1.02 0.00 0.00 39.78 36.52 1s9c n ASN 234 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1s9c s ASP 235 N -1.94 6.67 0.44 6.41 -1.08 -0.30 -4.86 116.67 122.02 1s9c s ASP 235 Ca 0.00 -2.07 0.31 0.00 -0.52 0.00 0.00 52.55 50.27 1s9c s ASP 235 Cb 0.00 -2.45 1.44 0.00 -1.46 0.00 0.00 42.92 40.46 1s9c s ASP 235 CO 0.00 -1.12 1.62 0.58 0.52 0.00 0.00 175.17 176.77 1s9c h VAL 236 N 5.87 0.11 0.00 1.11 2.07 -1.88 0.12 116.25 123.65 1s9c h VAL 236 Ca 0.20 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1s9c h VAL 236 Cb 0.99 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1s9c h VAL 236 CO 1.22 0.01 -0.11 0.77 0.02 0.00 0.00 177.57 179.48 1s9c h SER 237 N 0.08 0.00 0.32 0.57 4.64 -1.96 -2.40 113.55 114.79 1s9c h SER 237 Ca 0.83 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.15 1s9c h SER 237 Cb 2.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.73 1s9c h SER 237 CO -0.40 0.11 -0.13 0.54 -0.87 0.00 0.00 176.83 176.08 1s9c n ARG 238 N -3.67 0.76 -2.72 4.77 1.74 0.40 -4.72 116.66 113.21 1s9c n ARG 238 Ca -0.02 -0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 56.33 1s9c n ARG 238 Cb 0.22 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1s9c n ARG 238 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1s9c s PHE 239 N -2.46 2.52 -0.18 -1.55 2.19 -0.90 -1.32 117.98 116.28 1s9c s PHE 239 Ca 0.29 -0.38 -0.23 0.00 0.33 0.00 0.00 56.93 56.94 1s9c s PHE 239 Cb 0.20 -4.44 -0.20 0.00 -1.31 0.00 0.00 43.02 37.26 1s9c s PHE 239 CO 0.48 -1.83 0.37 0.87 1.83 0.00 0.00 175.22 176.94 1s9c h LYS 240 N 9.75 0.00 -2.69 10.12 1.57 -1.45 -3.42 116.57 130.45 1s9c h LYS 240 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1s9c h LYS 240 Cb 1.06 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.23 1s9c h LYS 240 CO 1.23 0.93 0.25 0.00 -0.57 0.00 0.00 179.45 181.29 1s9c s ALA 241 N -2.34 -1.67 0.01 3.86 0.00 -1.14 0.58 121.76 121.07 1s9c s ALA 241 Ca -0.24 0.74 -0.00 0.00 0.00 0.00 0.00 51.96 52.45 1s9c s ALA 241 Cb 0.03 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1s9c s ALA 241 CO 0.59 -0.67 -0.01 0.14 0.00 0.00 0.00 175.76 175.81 1s9c s VAL 242 N -3.12 0.07 -0.03 0.00 -7.23 0.04 0.63 120.40 110.77 1s9c s VAL 242 Ca -0.01 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1s9c s VAL 242 Cb -0.01 -0.18 0.01 0.00 0.56 0.00 0.00 36.38 36.77 1s9c s VAL 242 CO -0.08 -0.31 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.61 1s9c s LYS 243 N -0.90 0.59 0.01 4.82 2.47 -0.33 -1.26 119.74 125.12 1s9c s LYS 243 Ca -0.10 -0.11 -0.12 0.00 -1.56 0.00 0.00 55.97 54.08 1s9c s LYS 243 Cb -0.06 -0.61 0.01 0.00 -1.46 0.00 0.00 37.83 35.71 1s9c s LYS 243 CO -0.01 -0.01 0.24 0.00 0.16 0.00 0.00 175.35 175.74 1s9c s ALA 244 N 0.51 -0.57 -0.10 3.13 0.00 -0.65 -0.79 121.76 123.29 1s9c s ALA 244 Ca -0.06 0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1s9c s ALA 244 Cb -0.10 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1s9c s ALA 244 CO -0.00 -0.28 -0.20 0.50 0.00 0.00 0.00 175.76 175.77 1s9c s ARG 245 N -1.72 3.10 0.07 0.00 3.52 -0.79 -1.91 118.95 121.22 1s9c s ARG 245 Ca -0.11 -0.81 -0.24 0.00 -0.13 0.00 0.00 55.73 54.44 1s9c s ARG 245 Cb -0.05 -2.40 -0.06 0.00 -1.56 0.00 0.00 34.95 30.88 1s9c s ARG 245 CO 0.01 0.22 0.71 -0.06 -0.81 0.00 0.00 175.30 175.38 1s9c s PHE 246 N 0.26 3.78 0.00 5.12 0.08 -0.79 -0.37 117.98 126.05 1s9c s PHE 246 Ca -0.14 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.35 1s9c s PHE 246 Cb -0.17 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 1s9c s PHE 246 CO 0.07 0.38 0.00 0.00 -0.10 0.00 0.00 175.22 175.58 1s9c n ALA 247 N 2.37 0.00 -1.00 5.36 0.00 0.37 -4.89 120.51 122.72 1s9c n ALA 247 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1s9c n ALA 247 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 1s9c n ALA 247 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s9c s LYS 248 N 3.60 1.57 0.84 0.00 1.02 -0.95 -4.92 119.74 120.90 1s9c s LYS 248 Ca 0.00 1.57 -0.11 0.00 0.02 0.00 0.00 55.97 57.44 1s9c s LYS 248 Cb 0.00 -1.79 0.10 0.00 -0.52 0.00 0.00 37.83 35.62 1s9c s LYS 248 CO 0.00 -2.22 1.09 -2.14 -0.92 0.00 0.00 175.35 171.16 1s9c s PRO 249 N -4.44 1.72 -0.02 -1.68 0.02 -1.26 -4.36 135.00 124.98 1s9c s PRO 249 Ca 0.68 0.87 0.03 0.00 0.02 0.00 0.00 61.00 62.60 1s9c s PRO 249 Cb -0.24 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.42 1s9c s PRO 249 CO 0.53 -1.93 -0.11 0.08 -0.33 0.00 0.00 177.00 175.24 1s9c s VAL 250 N -2.98 0.89 -0.15 3.83 1.01 -1.26 -4.91 120.40 116.83 1s9c s VAL 250 Ca 0.62 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1s9c s VAL 250 Cb -0.17 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1s9c s VAL 250 CO 0.56 0.26 -0.04 -0.31 0.00 0.00 0.00 175.10 175.57 1s9c s TYR 251 N -0.10 3.02 -0.37 5.22 1.51 -1.26 -0.43 117.35 124.93 1s9c s TYR 251 Ca 0.02 -0.27 -0.43 0.00 -1.01 0.00 0.00 57.07 55.37 1s9c s TYR 251 Cb -0.06 -1.94 -0.18 0.00 -0.11 0.00 0.00 41.96 39.67 1s9c s TYR 251 CO -0.00 -0.00 1.63 -2.30 -1.11 0.00 0.00 175.55 173.77 1s9c n PRO 252 N 3.41 0.52 0.00 -1.71 -0.02 -1.26 -0.60 135.00 135.34 1s9c n PRO 252 Ca -0.17 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1s9c n PRO 252 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1s9c n PRO 252 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9c n GLY 253 N 3.92 0.84 3.58 -1.23 0.00 -1.10 -4.60 105.19 106.60 1s9c n GLY 253 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1s9c n GLY 253 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s9c s GLN 254 N -0.01 -0.45 -0.21 1.61 -0.21 0.24 -4.32 119.66 116.31 1s9c s GLN 254 Ca 0.00 0.54 -0.04 0.00 0.02 0.00 0.00 55.36 55.88 1s9c s GLN 254 Cb 0.00 -1.63 -0.01 0.00 1.00 0.00 0.00 33.01 32.36 1s9c s GLN 254 CO 0.00 -3.33 -0.03 0.99 -2.12 0.00 0.00 175.29 170.80 1s9c s THR 255 N -2.75 3.57 0.47 -0.19 2.01 -1.26 -1.90 115.64 115.58 1s9c s THR 255 Ca 0.67 -0.43 -0.19 0.00 0.31 0.00 0.00 61.69 62.05 1s9c s THR 255 Cb -0.20 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.59 1s9c s THR 255 CO 0.60 0.42 0.97 -0.76 -0.69 0.00 0.00 174.62 175.16 1s9c s LEU 256 N 1.33 3.79 -0.23 4.42 1.43 0.07 -1.14 118.68 128.35 1s9c s LEU 256 Ca 0.04 1.65 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1s9c s LEU 256 Cb -0.14 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.62 1s9c s LEU 256 CO -0.01 -0.49 0.07 -1.58 0.23 0.00 0.00 176.35 174.57 1s9c s GLN 257 N -3.57 0.57 -0.41 1.70 0.74 0.11 -1.91 119.66 116.89 1s9c s GLN 257 Ca 0.61 -0.58 -0.16 0.00 0.05 0.00 0.00 55.36 55.28 1s9c s GLN 257 Cb -0.10 -1.94 0.02 0.00 1.10 0.00 0.00 33.01 32.09 1s9c s GLN 257 CO 0.21 -0.78 0.36 0.99 -0.55 0.00 0.00 175.29 175.53 1s9c s THR 258 N 1.85 5.17 -0.08 -0.34 2.01 -0.60 -0.55 115.64 123.10 1s9c s THR 258 Ca 0.03 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 1s9c s THR 258 Cb -0.17 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1s9c s THR 258 CO -0.16 -0.33 0.42 -1.61 -0.69 0.00 0.00 174.62 172.25 1s9c s GLU 259 N 1.92 4.16 0.04 4.92 2.02 0.92 -2.27 118.70 130.41 1s9c s GLU 259 Ca 0.09 0.37 0.05 0.00 0.02 0.00 0.00 54.97 55.50 1s9c s GLU 259 Cb -0.18 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.68 1s9c s GLU 259 CO 0.12 0.38 -0.15 -1.64 0.02 0.00 0.00 175.26 173.99 1s9c s MET 260 N -0.07 1.00 -0.10 1.61 -1.94 0.37 -1.30 119.30 118.88 1s9c s MET 260 Ca 0.23 -0.81 -0.00 0.00 -1.71 0.00 0.00 55.69 53.40 1s9c s MET 260 Cb -0.15 -1.03 0.02 0.00 2.01 0.00 0.00 34.83 35.68 1s9c s MET 260 CO 0.10 0.26 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.72 1s9c s TRP 261 N -0.88 1.32 -0.27 -0.03 0.51 0.67 0.21 118.94 120.48 1s9c s TRP 261 Ca 0.02 -0.60 -0.17 0.00 -2.12 0.00 0.00 56.10 53.24 1s9c s TRP 261 Cb -0.08 -1.11 -0.03 0.00 -0.81 0.00 0.00 33.47 31.44 1s9c s TRP 261 CO 0.01 -0.43 0.45 0.21 -0.51 0.00 0.00 176.95 176.69 1s9c s LYS 262 N 1.52 3.99 -0.56 4.98 2.20 -1.26 -0.29 119.74 130.32 1s9c s LYS 262 Ca 0.01 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 55.80 1s9c s LYS 262 Cb -0.13 -3.67 0.16 0.00 -1.51 0.00 0.00 37.83 32.67 1s9c s LYS 262 CO -0.05 -0.35 0.38 -1.21 -0.36 0.00 0.00 175.35 173.75 1s9c s GLU 263 N 2.21 1.83 7.72 4.03 0.41 -0.46 -5.01 118.70 129.43 1s9c s GLU 263 Ca 0.18 -2.71 0.00 0.00 -0.41 0.00 0.00 54.97 52.03 1s9c s GLU 263 Cb -0.16 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 1s9c s GLU 263 CO 0.10 -1.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.02 1s9c n GLY 264 N 2.64 2.61 1.18 -1.39 0.00 -1.26 -2.38 105.19 106.59 1s9c n GLY 264 Ca 0.17 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1s9c n GLY 264 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s9c n ASN 265 N 8.44 3.51 -4.41 1.61 5.03 -1.26 -4.85 115.26 123.33 1s9c n ASN 265 Ca 0.00 -2.00 -0.35 0.00 0.87 0.00 0.00 54.58 53.10 1s9c n ASN 265 Cb 0.00 -0.26 -0.13 0.00 -1.02 0.00 0.00 39.78 38.37 1s9c n ASN 265 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1s9c s ARG 266 N -1.48 3.54 -0.38 3.52 3.52 -1.00 -0.08 118.95 126.59 1s9c s ARG 266 Ca 0.39 -0.56 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 1s9c s ARG 266 Cb 0.23 -3.02 0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1s9c s ARG 266 CO 0.32 -0.01 0.22 0.42 -0.81 0.00 0.00 175.30 175.44 1s9c s ILE 267 N 1.04 4.70 0.34 4.11 -1.09 -0.44 -1.36 121.20 128.50 1s9c s ILE 267 Ca 0.01 -0.83 -0.24 0.00 -2.23 0.00 0.00 60.65 57.37 1s9c s ILE 267 Cb -0.14 -3.62 -0.10 0.00 -1.58 0.00 0.00 42.46 37.01 1s9c s ILE 267 CO 0.01 -0.25 0.92 -1.00 -1.23 0.00 0.00 174.94 173.39 1s9c s HIS 268 N 1.58 3.60 0.07 3.97 3.76 0.60 -1.54 115.29 127.33 1s9c s HIS 268 Ca 0.03 1.70 -0.16 0.00 -0.15 0.00 0.00 55.06 56.47 1s9c s HIS 268 Cb -0.19 -2.87 0.03 0.00 1.11 0.00 0.00 32.58 30.66 1s9c s HIS 268 CO 0.07 0.15 0.37 -0.59 -0.85 0.00 0.00 174.74 173.89 1s9c s PHE 269 N -1.73 -0.18 0.01 1.40 -0.71 -0.53 -0.23 117.98 116.01 1s9c s PHE 269 Ca 0.52 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.43 1s9c s PHE 269 Cb -0.16 0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 1s9c s PHE 269 CO 0.21 -0.59 -0.03 -1.14 -1.34 0.00 0.00 175.22 172.34 1s9c s GLN 270 N -2.94 0.25 -0.06 1.99 0.74 -0.42 -2.52 119.66 116.70 1s9c s GLN 270 Ca -0.02 -0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.01 1s9c s GLN 270 Cb 0.00 -0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.10 1s9c s GLN 270 CO -0.06 -0.01 -0.18 0.99 -0.55 0.00 0.00 175.29 175.48 1s9c s THR 271 N -0.91 1.53 0.41 -0.34 2.01 -0.11 -0.05 115.64 118.18 1s9c s THR 271 Ca -0.09 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.20 1s9c s THR 271 Cb -0.06 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1s9c s THR 271 CO -0.00 0.44 0.06 -0.54 -0.69 0.00 0.00 174.62 173.89 1s9c s LYS 272 N 0.27 1.92 -0.44 4.92 1.02 0.29 -0.11 119.74 127.61 1s9c s LYS 272 Ca -0.10 -2.15 -0.00 0.00 0.02 0.00 0.00 55.97 53.74 1s9c s LYS 272 Cb -0.14 -1.05 0.12 0.00 -0.52 0.00 0.00 37.83 36.23 1s9c s LYS 272 CO 0.04 -0.31 0.21 0.08 -0.92 0.00 0.00 175.35 174.45 1s9c s VAL 273 N -3.08 3.00 -0.50 3.17 1.01 -0.60 0.05 120.40 123.45 1s9c s VAL 273 Ca 0.25 -2.42 -0.26 0.00 0.00 0.00 0.00 61.98 59.54 1s9c s VAL 273 Cb 0.05 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 1s9c s VAL 273 CO 0.12 -0.71 2.35 -1.58 0.00 0.00 0.00 175.10 175.29 1s9c s GLN 274 N 0.73 2.17 0.00 2.72 -0.44 -0.29 0.19 119.66 124.73 1s9c s GLN 274 Ca 0.11 1.34 0.00 0.00 -2.50 0.00 0.00 55.36 54.31 1s9c s GLN 274 Cb -0.22 -4.56 0.00 0.00 -1.64 0.00 0.00 33.01 26.59 1s9c s GLN 274 CO -0.05 -3.21 0.00 0.39 0.50 0.00 0.00 175.29 172.93 1s9c n GLU 275 N 9.03 0.00 0.00 1.67 1.02 -1.26 -4.39 120.64 126.71 1s9c n GLU 275 Ca 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1s9c n GLU 275 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1s9c n GLU 275 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1s9c n THR 276 N 0.00 0.00 -0.90 2.62 -2.24 -0.43 -5.01 114.28 108.32 1s9c n THR 276 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1s9c n THR 276 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1s9c n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s9c n GLY 277 N 2.03 0.69 3.76 3.38 0.00 0.13 -4.98 105.19 110.20 1s9c n GLY 277 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1s9c n GLY 277 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s9c s ASP 278 N -2.62 5.58 -0.27 1.61 1.01 -1.25 -4.65 116.67 116.08 1s9c s ASP 278 Ca 0.00 2.72 -0.18 0.00 0.71 0.00 0.00 52.55 55.79 1s9c s ASP 278 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1s9c s ASP 278 CO 0.00 -1.35 0.54 -0.63 0.21 0.00 0.00 175.17 173.93 1s9c s ILE 279 N -1.32 5.04 -0.07 0.77 1.01 -1.26 -1.56 121.20 123.81 1s9c s ILE 279 Ca 0.67 0.85 0.20 0.00 0.00 0.00 0.00 60.65 62.38 1s9c s ILE 279 Cb -0.39 -3.87 -0.31 0.00 0.01 0.00 0.00 42.46 37.90 1s9c s ILE 279 CO 0.47 0.03 0.36 1.33 0.00 0.00 0.00 174.94 177.13 1s9c n VAL 280 N 5.21 0.37 -3.76 2.92 0.24 0.84 -2.23 118.33 121.93 1s9c n VAL 280 Ca -0.03 -0.59 -0.18 0.00 -2.04 0.00 0.00 64.34 61.50 1s9c n VAL 280 Cb 0.49 -0.12 -0.17 0.00 -1.47 0.00 0.00 33.84 32.57 1s9c n VAL 280 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1s9c s ILE 281 N -3.21 -0.00 0.23 1.34 1.01 -1.01 -0.48 121.20 119.08 1s9c s ILE 281 Ca -0.08 0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1s9c s ILE 281 Cb 0.12 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.35 1s9c s ILE 281 CO 0.87 0.15 -0.05 -0.94 0.00 0.00 0.00 174.94 174.97 1s9c s SER 282 N 1.58 2.19 -1.71 3.58 1.04 0.50 -0.93 113.70 119.95 1s9c s SER 282 Ca -0.02 -1.15 -0.18 0.00 0.48 0.00 0.00 55.95 55.07 1s9c s SER 282 Cb -0.13 -0.06 0.16 0.00 0.10 0.00 0.00 66.02 66.09 1s9c s SER 282 CO -0.03 -0.39 0.74 0.59 0.98 0.00 0.00 173.24 175.13 1s9c n ASN 283 N -0.43 -2.97 -4.99 7.02 3.02 -1.26 -1.88 115.26 113.78 1s9c n ASN 283 Ca -0.06 -1.04 -0.18 0.00 -0.03 0.00 0.00 54.58 53.26 1s9c n ASN 283 Cb 0.63 -2.63 -0.00 0.00 -0.61 0.00 0.00 39.78 37.16 1s9c n ASN 283 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s9c s ALA 284 N -3.33 4.35 0.17 5.41 0.00 -1.05 -0.70 121.76 126.61 1s9c s ALA 284 Ca 0.71 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.83 1s9c s ALA 284 Cb -0.39 -1.59 0.06 0.00 0.00 0.00 0.00 23.12 21.20 1s9c s ALA 284 CO 0.94 -0.16 0.94 1.52 0.00 0.00 0.00 175.76 178.99 1s9c s TYR 285 N -2.28 -0.13 -0.13 0.00 -0.85 0.03 -1.45 117.35 112.53 1s9c s TYR 285 Ca 0.50 -0.19 -0.06 0.00 -0.52 0.00 0.00 57.07 56.80 1s9c s TYR 285 Cb -0.09 0.65 0.05 0.00 0.38 0.00 0.00 41.96 42.95 1s9c s TYR 285 CO 0.32 -0.87 0.29 0.54 -1.52 0.00 0.00 175.55 174.30 1s9c s VAL 286 N -3.35 -0.15 -0.14 -3.49 0.11 -0.59 -1.19 120.40 111.60 1s9c s VAL 286 Ca 0.12 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 59.17 1s9c s VAL 286 Cb -0.02 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1s9c s VAL 286 CO 0.03 0.07 0.45 -1.81 -3.33 0.00 0.00 175.10 170.51 1s9c s ASP 287 N 1.61 6.61 0.37 3.54 1.01 0.21 -1.33 116.67 128.69 1s9c s ASP 287 Ca -0.07 0.73 0.08 0.00 0.71 0.00 0.00 52.55 54.00 1s9c s ASP 287 Cb -0.10 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1s9c s ASP 287 CO -0.10 -0.02 0.26 -0.76 0.21 0.00 0.00 175.17 174.77 1s9c s LEU 288 N 0.81 3.39 0.00 1.23 1.43 0.89 -1.21 118.68 125.22 1s9c s LEU 288 Ca 0.24 -0.71 0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1s9c s LEU 288 Cb -0.15 -1.95 0.19 0.00 0.03 0.00 0.00 46.19 44.31 1s9c s LEU 288 CO 0.09 -0.44 1.25 0.00 0.23 0.00 0.00 176.35 177.48