#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2c s ASN 4 N 0.00 4.37 0.51 0.41 0.01 -1.26 -4.97 114.94 114.01 3d2c s ASN 4 Ca 0.00 1.74 -0.22 0.00 -0.71 0.00 0.00 52.86 53.67 3d2c s ASN 4 Cb 0.00 -2.45 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 3d2c s ASN 4 CO 0.00 -2.11 1.22 -2.84 -1.51 0.00 0.00 177.10 171.86 3d2c s PRO 5 N -4.92 3.45 -0.14 -0.60 0.02 -1.26 -4.69 135.00 126.86 3d2c s PRO 5 Ca 0.61 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 3d2c s PRO 5 Cb -0.17 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.06 3d2c s PRO 5 CO 0.56 -0.83 -0.02 0.08 -0.33 0.00 0.00 177.00 176.46 3d2c s VAL 6 N -1.51 4.05 -0.19 3.83 1.01 0.15 -1.01 120.40 126.73 3d2c s VAL 6 Ca 0.68 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 3d2c s VAL 6 Cb -0.31 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3d2c s VAL 6 CO 0.37 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 175.23 3d2c s VAL 7 N 0.13 3.36 -0.17 2.92 1.01 0.03 0.17 120.40 127.85 3d2c s VAL 7 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 3d2c s VAL 7 Cb -0.13 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3d2c s VAL 7 CO 0.02 0.46 0.05 -0.04 0.00 0.00 0.00 175.10 175.59 3d2c s MET 8 N 1.09 3.89 -0.27 2.72 -1.94 0.14 -1.79 119.30 123.14 3d2c s MET 8 Ca 0.01 -0.36 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 3d2c s MET 8 Cb -0.15 -3.16 0.06 0.00 2.01 0.00 0.00 34.83 33.59 3d2c s MET 8 CO -0.01 0.30 -0.09 0.08 -0.01 0.00 0.00 175.02 175.30 3d2c s VAL 9 N 0.27 2.35 0.90 -6.03 1.01 0.17 -1.72 120.40 117.35 3d2c s VAL 9 Ca 0.03 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.33 3d2c s VAL 9 Cb -0.12 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 34.02 3d2c s VAL 9 CO 0.01 -0.03 1.16 -1.38 0.00 0.00 0.00 175.10 174.86 3d2c s HIS 10 N 1.14 2.53 0.00 5.22 -3.43 -1.26 -0.92 115.29 118.57 3d2c s HIS 10 Ca -0.08 0.79 0.00 0.00 -0.80 0.00 0.00 55.06 54.98 3d2c s HIS 10 Cb -0.20 -3.45 0.00 0.00 -1.43 0.00 0.00 32.58 27.50 3d2c s HIS 10 CO -0.04 -2.28 0.00 0.41 -2.00 0.00 0.00 174.74 170.83 3d2c n GLY 11 N -2.52 3.32 3.71 -1.38 0.00 -1.19 -3.49 105.19 103.63 3d2c n GLY 11 Ca 0.07 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 3d2c n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d2c n ILE 12 N 0.00 0.05 -0.92 -0.61 5.41 -1.26 -1.56 119.36 120.47 3d2c n ILE 12 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3d2c n ILE 12 Cb 0.00 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.07 3d2c n ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d2c n GLY 13 N 3.72 0.17 0.14 7.39 0.00 -0.02 -4.96 105.19 111.63 3d2c n GLY 13 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3d2c n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2c n GLY 14 N -0.55 0.67 3.81 -0.02 0.00 -0.60 -5.09 105.19 103.41 3d2c n GLY 14 Ca 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 3d2c n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d2c s SER 15 N -1.15 -0.10 0.50 1.61 1.04 -1.26 -4.87 113.70 109.46 3d2c s SER 15 Ca 0.02 -0.64 0.15 0.00 0.48 0.00 0.00 55.95 55.96 3d2c s SER 15 Cb -0.00 0.59 1.19 0.00 0.10 0.00 0.00 66.02 67.90 3d2c s SER 15 CO 0.02 -1.13 2.12 0.77 0.98 0.00 0.00 173.24 175.99 3d2c h SER 16 N 2.00 0.10 0.18 7.02 4.64 -1.86 -1.49 113.55 124.14 3d2c h SER 16 Ca -0.26 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3d2c h SER 16 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3d2c h SER 16 CO 0.31 0.07 0.00 0.77 -0.87 0.00 0.00 176.83 177.11 3d2c h SER 17 N 0.12 0.00 0.22 4.97 4.64 -1.94 -1.80 113.55 119.75 3d2c h SER 17 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3d2c h SER 17 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3d2c h SER 17 CO -0.01 0.00 -0.05 0.78 -0.87 0.00 0.00 176.83 176.68 3d2c h ASN 18 N 0.00 0.00 -0.50 4.97 2.35 -1.68 -2.93 115.58 117.79 3d2c h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d2c h ASN 18 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3d2c h ASN 18 CO 0.00 0.05 0.00 0.49 -1.65 0.00 0.00 177.43 176.32 3d2c n PHE 19 N -3.56 0.66 -0.08 1.19 3.72 -0.68 -4.43 117.46 114.29 3d2c n PHE 19 Ca -0.02 -0.33 0.09 0.00 -0.05 0.00 0.00 57.45 57.13 3d2c n PHE 19 Cb 0.16 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.15 3d2c n PHE 19 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3d2c h GLU 20 N 3.64 0.50 -0.11 -1.08 4.39 -1.69 0.15 114.58 120.37 3d2c h GLU 20 Ca 0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3d2c h GLU 20 Cb 0.82 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3d2c h GLU 20 CO 0.00 0.33 -0.05 0.78 -1.16 0.00 0.00 179.01 178.91 3d2c h GLY 21 N 0.51 0.25 1.91 -3.84 0.00 -1.82 -2.28 103.07 97.80 3d2c h GLY 21 Ca 0.25 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3d2c h GLY 21 CO -0.07 0.20 -0.37 -2.22 0.00 0.00 0.00 176.54 174.08 3d2c h ILE 22 N -0.12 1.28 0.06 2.60 2.04 -1.60 -2.51 117.51 119.26 3d2c h ILE 22 Ca 0.02 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 3d2c h ILE 22 Cb 0.51 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3d2c h ILE 22 CO 0.02 0.39 -0.03 0.11 0.00 0.00 0.00 178.15 178.64 3d2c h LYS 23 N 0.09 -0.08 -0.69 2.37 1.57 -0.96 -1.97 116.57 116.89 3d2c h LYS 23 Ca 0.01 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 3d2c h LYS 23 Cb 0.70 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.95 3d2c h LYS 23 CO 0.05 0.34 0.28 0.77 -0.57 0.00 0.00 179.45 180.32 3d2c h SER 24 N -0.53 0.28 0.28 0.86 0.02 -1.35 0.05 113.55 113.16 3d2c h SER 24 Ca -0.01 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3d2c h SER 24 Cb 0.46 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3d2c h SER 24 CO 0.01 0.14 -0.13 0.22 -1.14 0.00 0.00 176.83 175.93 3d2c h TYR 25 N 0.45 -0.35 -0.79 3.45 3.20 -1.45 -1.19 116.97 120.30 3d2c h TYR 25 Ca 0.36 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.29 3d2c h TYR 25 Cb 0.48 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 3d2c h TYR 25 CO -0.16 -0.15 0.47 -0.07 -1.64 0.00 0.00 178.16 176.60 3d2c h LEU 26 N -0.46 0.71 -0.38 2.82 3.38 -0.84 -0.49 115.31 120.05 3d2c h LEU 26 Ca -0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3d2c h LEU 26 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3d2c h LEU 26 CO 0.06 0.44 0.24 0.58 0.09 0.00 0.00 178.44 179.86 3d2c h VAL 27 N 0.84 1.08 0.00 1.22 2.07 -0.82 -0.10 116.25 120.53 3d2c h VAL 27 Ca 0.36 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 3d2c h VAL 27 Cb 0.22 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3d2c h VAL 27 CO -0.19 0.09 -0.01 0.77 0.02 0.00 0.00 177.57 178.25 3d2c h SER 28 N 0.50 0.00 -0.60 0.57 4.64 0.01 -1.62 113.55 117.05 3d2c h SER 28 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3d2c h SER 28 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3d2c h SER 28 CO -0.05 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 3d2c n GLN 29 N -3.21 2.38 0.00 4.77 1.13 -0.16 -4.93 117.38 117.36 3d2c n GLN 29 Ca -0.02 -2.14 0.00 0.00 -1.94 0.00 0.00 57.00 52.89 3d2c n GLN 29 Cb 0.13 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3d2c n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d2c n GLY 30 N 1.45 0.68 3.80 1.08 0.00 -0.61 -5.05 105.19 106.53 3d2c n GLY 30 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3d2c n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d2c s TRP 31 N -2.00 3.05 -0.13 1.61 0.51 -0.56 -4.99 118.94 116.43 3d2c s TRP 31 Ca 0.00 1.59 -0.25 0.00 -2.12 0.00 0.00 56.10 55.32 3d2c s TRP 31 Cb 0.00 -3.04 -0.02 0.00 -0.81 0.00 0.00 33.47 29.59 3d2c s TRP 31 CO 0.00 -0.73 0.79 -1.12 -0.51 0.00 0.00 176.95 175.39 3d2c s SER 32 N -1.98 6.98 0.22 2.95 0.01 -1.26 -4.21 113.70 116.42 3d2c s SER 32 Ca 0.66 1.20 -0.16 0.00 1.31 0.00 0.00 55.95 58.96 3d2c s SER 32 Cb -0.16 -2.44 0.25 0.00 0.21 0.00 0.00 66.02 63.88 3d2c s SER 32 CO 0.19 -0.30 1.58 -0.09 0.41 0.00 0.00 173.24 175.03 3d2c h ARG 33 N 7.14 -0.05 0.00 12.44 9.65 -1.94 0.24 114.38 141.85 3d2c h ARG 33 Ca -0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 3d2c h ARG 33 Cb 1.16 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3d2c h ARG 33 CO 0.80 -0.03 0.00 -0.40 2.80 0.00 0.00 179.97 183.14 3d2c n ASP 34 N -5.49 0.00 -0.38 -3.80 5.68 -1.26 -2.53 116.55 108.77 3d2c n ASP 34 Ca 0.09 -1.38 0.09 0.00 -0.50 0.00 0.00 54.79 53.09 3d2c n ASP 34 Cb 0.40 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.55 3d2c n ASP 34 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3d2c n LYS 35 N -0.61 2.07 -4.02 0.11 5.02 0.82 -4.91 118.16 116.64 3d2c n LYS 35 Ca 0.04 -2.57 -0.33 0.00 -2.02 0.00 0.00 58.31 53.43 3d2c n LYS 35 Cb 0.02 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.31 3d2c n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d2c s LEU 36 N -2.63 3.21 0.13 -0.35 1.43 -1.05 -0.67 118.68 118.74 3d2c s LEU 36 Ca 0.33 -1.09 0.10 0.00 -1.03 0.00 0.00 54.13 52.44 3d2c s LEU 36 Cb 0.27 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3d2c s LEU 36 CO 0.05 -0.15 -0.24 -0.31 0.23 0.00 0.00 176.35 175.93 3d2c s TYR 37 N 1.22 2.38 -0.11 0.29 1.51 0.13 -4.97 117.35 117.80 3d2c s TYR 37 Ca -0.03 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 3d2c s TYR 37 Cb -0.18 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.43 3d2c s TYR 37 CO -0.06 0.36 -0.02 0.00 -1.11 0.00 0.00 175.55 174.72 3d2c s ALA 38 N -1.12 1.00 0.70 3.71 0.00 -1.26 0.26 121.76 125.04 3d2c s ALA 38 Ca 0.16 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 3d2c s ALA 38 Cb -0.10 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.15 3d2c s ALA 38 CO 0.07 -0.56 1.06 0.54 0.00 0.00 0.00 175.76 176.88 3d2c s VAL 39 N 1.85 3.97 -0.24 0.00 0.11 -0.70 -4.76 120.40 120.63 3d2c s VAL 39 Ca 0.04 0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 59.72 3d2c s VAL 39 Cb -0.13 -3.42 0.07 0.00 -1.53 0.00 0.00 36.38 31.37 3d2c s VAL 39 CO -0.07 -0.84 0.02 -1.81 -3.33 0.00 0.00 175.10 169.08 3d2c s ASP 40 N -3.87 3.59 -0.01 3.54 1.01 -1.26 -3.53 116.67 116.15 3d2c s ASP 40 Ca 0.58 -1.21 -0.26 0.00 0.71 0.00 0.00 52.55 52.37 3d2c s ASP 40 Cb -0.14 -0.91 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 3d2c s ASP 40 CO 0.55 -0.31 0.83 -0.36 0.21 0.00 0.00 175.17 176.08 3d2c s PHE 41 N 1.60 3.65 0.05 4.23 0.08 -1.26 -4.92 117.98 121.41 3d2c s PHE 41 Ca 0.01 1.48 0.20 0.00 0.12 0.00 0.00 56.93 58.74 3d2c s PHE 41 Cb -0.18 -2.93 0.59 0.00 -0.57 0.00 0.00 43.02 39.93 3d2c s PHE 41 CO -0.12 0.10 1.69 0.11 -0.10 0.00 0.00 175.22 176.90 3d2c h TRP 42 N 6.49 0.00 -2.27 0.36 5.08 -1.97 -3.38 115.95 120.25 3d2c h TRP 42 Ca -0.42 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 58.90 3d2c h TRP 42 Cb 1.21 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 27.21 3d2c h TRP 42 CO 0.66 0.34 0.87 0.34 -1.28 0.00 0.00 178.44 179.37 3d2c s ASP 43 N -6.34 6.48 0.00 0.11 -1.08 -1.26 -4.85 116.67 109.72 3d2c s ASP 43 Ca 0.01 -1.64 0.17 0.00 -0.52 0.00 0.00 52.55 50.57 3d2c s ASP 43 Cb 0.10 -2.43 1.03 0.00 -1.46 0.00 0.00 42.92 40.15 3d2c s ASP 43 CO 0.68 -1.25 1.44 0.29 0.52 0.00 0.00 175.17 176.85 3d2c n LYS 44 N 7.28 0.53 0.01 4.34 4.76 -1.26 -1.90 118.16 131.92 3d2c n LYS 44 Ca 0.18 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.74 3d2c n LYS 44 Cb 0.48 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.44 3d2c n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3d2c n THR 45 N -1.01 0.07 -1.61 -0.18 -2.24 -1.26 -0.84 114.28 107.21 3d2c n THR 45 Ca 0.13 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.78 3d2c n THR 45 Cb 0.06 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 3d2c n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d2c n GLY 46 N 1.47 0.59 3.77 3.38 0.00 -0.80 -4.85 105.19 108.74 3d2c n GLY 46 Ca 0.05 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 3d2c n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d2c s THR 47 N -2.33 2.61 0.16 2.61 -4.23 -1.26 -4.83 115.64 108.37 3d2c s THR 47 Ca 0.00 0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3d2c s THR 47 Cb 0.00 -3.30 0.04 0.00 1.34 0.00 0.00 72.50 70.58 3d2c s THR 47 CO 0.00 0.06 1.65 0.78 -0.54 0.00 0.00 174.62 176.56 3d2c h ASN 48 N 2.43 0.87 -0.78 3.99 2.35 -1.95 -1.93 115.58 120.56 3d2c h ASN 48 Ca -0.50 -0.26 0.14 0.00 -0.55 0.00 0.00 56.30 55.13 3d2c h ASN 48 Cb 1.25 -0.23 -0.09 0.00 0.05 0.00 0.00 38.32 39.30 3d2c h ASN 48 CO 0.62 0.91 0.35 1.88 -1.65 0.00 0.00 177.43 179.54 3d2c h TYR 49 N 0.79 0.61 0.13 1.19 0.05 -2.00 0.26 116.97 117.99 3d2c h TYR 49 Ca 0.16 0.03 -0.26 0.00 0.05 0.00 0.00 58.73 58.72 3d2c h TYR 49 Cb 0.42 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.01 3d2c h TYR 49 CO 0.03 0.11 -1.26 -0.91 -1.05 0.00 0.00 178.16 175.08 3d2c h ASN 50 N 0.51 0.42 0.51 3.88 2.35 -1.94 -3.39 115.58 117.93 3d2c h ASN 50 Ca 0.43 -0.88 -0.21 0.00 -0.55 0.00 0.00 56.30 55.09 3d2c h ASN 50 Cb 0.62 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3d2c h ASN 50 CO -0.38 1.56 -0.91 0.78 -1.65 0.00 0.00 177.43 176.83 3d2c h ASN 51 N -0.31 0.34 0.23 5.81 -0.26 -1.20 -3.16 115.58 117.04 3d2c h ASN 51 Ca -0.26 -0.28 0.01 0.00 -0.56 0.00 0.00 56.30 55.21 3d2c h ASN 51 Cb 1.75 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.87 3d2c h ASN 51 CO 0.09 1.09 -0.37 1.23 -1.06 0.00 0.00 177.43 178.41 3d2c h GLY 52 N 1.66 -0.79 0.43 2.83 0.00 -0.70 0.26 103.07 106.76 3d2c h GLY 52 Ca -0.06 0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.82 3d2c h GLY 52 CO 0.15 -0.28 0.49 -2.55 0.00 0.00 0.00 176.54 174.34 3d2c h PRO 53 N -0.67 0.75 -0.44 4.80 0.11 -1.75 0.92 132.00 135.71 3d2c h PRO 53 Ca 0.00 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 3d2c h PRO 53 Cb 0.65 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3d2c h PRO 53 CO -0.15 0.50 -0.17 0.28 -0.21 0.00 0.00 178.00 178.25 3d2c h VAL 54 N 0.77 1.27 -0.47 3.15 2.07 -1.41 -2.38 116.25 119.25 3d2c h VAL 54 Ca 0.43 -1.28 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 3d2c h VAL 54 Cb 0.47 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3d2c h VAL 54 CO -0.28 0.44 -0.18 0.25 0.02 0.00 0.00 177.57 177.82 3d2c h LEU 55 N 0.75 0.94 -0.02 2.57 5.85 0.64 -1.94 115.31 124.11 3d2c h LEU 55 Ca 0.11 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3d2c h LEU 55 Cb 0.69 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3d2c h LEU 55 CO 0.05 1.10 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.86 3d2c h SER 56 N 0.81 -0.32 0.02 1.25 0.87 -0.64 0.02 113.55 115.57 3d2c h SER 56 Ca 0.12 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3d2c h SER 56 Cb 0.73 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 3d2c h SER 56 CO 0.06 -0.16 -0.18 0.03 -0.53 0.00 0.00 176.83 176.05 3d2c h ARG 57 N -0.18 0.32 -0.07 2.24 3.08 -1.38 -0.88 114.38 117.51 3d2c h ARG 57 Ca 0.05 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3d2c h ARG 57 Cb 0.24 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3d2c h ARG 57 CO -0.12 0.50 -0.01 0.35 -1.07 0.00 0.00 179.97 179.62 3d2c h PHE 58 N 0.29 0.14 -0.40 3.04 3.57 -0.78 -0.59 116.94 122.22 3d2c h PHE 58 Ca 0.05 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3d2c h PHE 58 Cb 0.50 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3d2c h PHE 58 CO 0.01 0.44 0.26 0.28 -2.23 0.00 0.00 178.31 177.07 3d2c h VAL 59 N -0.20 1.11 -0.88 1.41 2.07 -0.83 -0.05 116.25 118.89 3d2c h VAL 59 Ca 0.02 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3d2c h VAL 59 Cb 0.39 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3d2c h VAL 59 CO 0.01 0.11 0.58 -0.61 0.02 0.00 0.00 177.57 177.68 3d2c h GLN 60 N 0.53 1.10 -0.52 1.57 5.75 -1.11 0.11 115.11 122.55 3d2c h GLN 60 Ca 0.14 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 3d2c h GLN 60 Cb -0.04 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.24 3d2c h GLN 60 CO -0.03 0.73 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.65 3d2c h LYS 61 N 1.14 0.89 -0.24 1.69 3.64 -0.31 -0.66 116.57 122.72 3d2c h LYS 61 Ca 0.34 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3d2c h LYS 61 Cb -0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3d2c h LYS 61 CO -0.09 0.89 -0.00 0.28 -2.27 0.00 0.00 179.45 178.26 3d2c h VAL 62 N 0.82 1.26 -0.74 2.00 2.07 0.40 -1.27 116.25 120.79 3d2c h VAL 62 Ca 0.15 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 3d2c h VAL 62 Cb 0.50 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3d2c h VAL 62 CO 0.02 0.28 0.39 -0.07 0.02 0.00 0.00 177.57 178.22 3d2c h LEU 63 N 0.19 0.93 -0.41 2.57 3.38 -0.65 -0.32 115.31 121.00 3d2c h LEU 63 Ca 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3d2c h LEU 63 Cb 0.41 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3d2c h LEU 63 CO 0.01 0.77 0.00 0.44 0.09 0.00 0.00 178.44 179.76 3d2c h ASP 64 N 1.02 0.71 -0.23 -0.43 3.32 -1.05 0.33 116.42 120.09 3d2c h ASP 64 Ca 0.26 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 3d2c h ASP 64 Cb 0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3d2c h ASP 64 CO -0.04 0.84 -0.21 -0.08 -1.72 0.00 0.00 179.24 178.03 3d2c h GLU 65 N 0.56 0.69 0.00 3.56 4.81 -0.98 -3.31 114.58 119.90 3d2c h GLU 65 Ca 0.12 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3d2c h GLU 65 Cb 0.47 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3d2c h GLU 65 CO 0.02 0.85 -1.78 0.25 -0.73 0.00 0.00 179.01 177.63 3d2c n THR 66 N -4.12 0.11 -0.99 0.32 -2.24 -0.15 -4.98 114.28 102.23 3d2c n THR 66 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3d2c n THR 66 Cb 0.42 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3d2c n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d2c n GLY 67 N 1.25 0.65 3.81 3.38 0.00 0.10 -5.01 105.19 109.37 3d2c n GLY 67 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3d2c n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2c s ALA 68 N -2.62 2.88 0.08 4.61 0.00 -1.24 -4.97 121.76 120.51 3d2c s ALA 68 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.48 3d2c s ALA 68 Cb 0.00 -3.22 -0.23 0.00 0.00 0.00 0.00 23.12 19.67 3d2c s ALA 68 CO 0.00 -0.38 1.13 -0.22 0.00 0.00 0.00 175.76 176.29 3d2c h LYS 69 N 1.21 0.06 -4.17 0.00 1.63 -1.95 -3.45 116.57 109.90 3d2c h LYS 69 Ca -0.48 -0.10 -0.13 0.00 -0.85 0.00 0.00 60.65 59.09 3d2c h LYS 69 Cb 1.21 0.04 -0.15 0.00 -0.60 0.00 0.00 32.23 32.73 3d2c h LYS 69 CO 0.59 0.96 -0.57 0.15 -3.45 0.00 0.00 179.45 177.13 3d2c s LYS 70 N -2.68 0.80 0.32 1.90 1.02 -1.26 -4.73 119.74 115.11 3d2c s LYS 70 Ca -0.01 -1.23 0.10 0.00 0.02 0.00 0.00 55.97 54.85 3d2c s LYS 70 Cb 0.09 0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 37.60 3d2c s LYS 70 CO 0.83 -0.22 -0.13 0.14 -0.92 0.00 0.00 175.35 175.06 3d2c s VAL 71 N -3.95 2.26 0.16 3.17 -7.23 -0.03 -4.13 120.40 110.65 3d2c s VAL 71 Ca 0.13 -2.26 0.07 0.00 -1.81 0.00 0.00 61.98 58.10 3d2c s VAL 71 Cb 0.07 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3d2c s VAL 71 CO -0.06 -0.28 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.63 3d2c s ASP 72 N -3.56 4.76 0.01 4.85 1.01 -0.18 -1.52 116.67 122.05 3d2c s ASP 72 Ca 0.31 -0.37 0.06 0.00 0.71 0.00 0.00 52.55 53.26 3d2c s ASP 72 Cb 0.00 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.89 3d2c s ASP 72 CO 0.15 0.11 -0.17 -0.63 0.21 0.00 0.00 175.17 174.85 3d2c s ILE 73 N -1.62 1.34 -0.14 0.77 1.01 0.09 -0.79 121.20 121.87 3d2c s ILE 73 Ca 0.27 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3d2c s ILE 73 Cb -0.10 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.25 3d2c s ILE 73 CO 0.18 0.26 -0.12 -0.69 0.00 0.00 0.00 174.94 174.56 3d2c s VAL 74 N -0.57 1.43 0.07 2.92 1.01 -0.74 -0.75 120.40 123.76 3d2c s VAL 74 Ca 0.06 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3d2c s VAL 74 Cb -0.07 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3d2c s VAL 74 CO 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 175.10 175.34 3d2c s ALA 75 N 1.55 1.66 -0.05 5.51 0.00 0.08 -0.65 121.76 129.86 3d2c s ALA 75 Ca 0.05 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3d2c s ALA 75 Cb -0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3d2c s ALA 75 CO -0.10 0.34 -0.17 -1.58 0.00 0.00 0.00 175.76 174.25 3d2c s HIS 76 N -1.01 2.63 0.00 0.00 2.46 -0.10 -0.09 115.29 119.19 3d2c s HIS 76 Ca 0.06 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.34 3d2c s HIS 76 Cb -0.09 -1.61 0.00 0.00 -0.13 0.00 0.00 32.58 30.74 3d2c s HIS 76 CO 0.03 0.12 0.00 0.45 -2.47 0.00 0.00 174.74 172.87 3d2c n SER 77 N 2.40 0.00 0.21 9.88 2.88 -0.59 0.57 113.62 128.96 3d2c n SER 77 Ca -0.17 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.51 3d2c n SER 77 Cb 0.52 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.70 3d2c n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3d2c h MET 78 N 0.00 0.00 0.00 -1.46 1.85 -1.86 0.25 114.93 113.71 3d2c h MET 78 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 3d2c h MET 78 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 3d2c h MET 78 CO 0.00 0.00 -0.14 0.78 -0.40 0.00 0.00 176.91 177.15 3d2c h GLY 79 N 0.61 0.00 0.90 1.39 0.00 0.09 -1.24 103.07 104.82 3d2c h GLY 79 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3d2c h GLY 79 CO 0.00 0.00 -0.12 -1.33 0.00 0.00 0.00 176.54 175.09 3d2c h GLY 80 N 0.73 0.64 0.97 4.60 0.00 -1.06 0.11 103.07 109.07 3d2c h GLY 80 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3d2c h GLY 80 CO 0.02 0.52 0.20 0.00 0.00 0.00 0.00 176.54 177.28 3d2c h ALA 81 N 0.76 0.45 -0.77 3.60 0.00 -1.42 -0.52 119.26 121.36 3d2c h ALA 81 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3d2c h ALA 81 Cb 0.63 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3d2c h ALA 81 CO 0.04 -0.04 0.40 -0.91 0.00 0.00 0.00 179.25 178.74 3d2c h ASN 82 N 0.45 0.98 -0.19 0.00 2.35 -1.17 -0.85 115.58 117.15 3d2c h ASN 82 Ca 0.12 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3d2c h ASN 82 Cb 0.03 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3d2c h ASN 82 CO -0.02 0.81 0.07 0.74 -1.65 0.00 0.00 177.43 177.38 3d2c h THR 83 N 1.07 1.16 -0.58 2.81 2.02 -0.58 -0.50 112.91 118.30 3d2c h THR 83 Ca 0.27 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3d2c h THR 83 Cb 0.07 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3d2c h THR 83 CO -0.04 0.15 0.27 -0.07 0.37 0.00 0.00 175.52 176.21 3d2c h LEU 84 N 0.15 0.74 -0.30 2.58 3.38 -0.90 -0.43 115.31 120.53 3d2c h LEU 84 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3d2c h LEU 84 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3d2c h LEU 84 CO -0.01 0.64 0.10 0.22 0.09 0.00 0.00 178.44 179.48 3d2c h TYR 85 N 0.82 0.48 -0.46 1.13 3.20 -0.87 0.25 116.97 121.52 3d2c h TYR 85 Ca 0.20 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3d2c h TYR 85 Cb 0.10 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3d2c h TYR 85 CO 0.01 0.49 0.28 -0.92 -1.64 0.00 0.00 178.16 176.38 3d2c h TYR 86 N 0.32 0.60 0.14 -3.82 3.20 -0.53 0.17 116.97 117.06 3d2c h TYR 86 Ca 0.10 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3d2c h TYR 86 Cb 0.23 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3d2c h TYR 86 CO 0.00 0.41 -0.07 0.82 -1.64 0.00 0.00 178.16 177.69 3d2c h ILE 87 N 0.62 1.03 -0.07 1.81 2.04 -0.94 -1.51 117.51 120.49 3d2c h ILE 87 Ca 0.17 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 3d2c h ILE 87 Cb -0.02 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3d2c h ILE 87 CO -0.03 0.20 -0.17 0.50 0.00 0.00 0.00 178.15 178.65 3d2c h LYS 88 N -0.60 0.24 0.00 2.37 3.64 -0.48 -2.82 116.57 118.92 3d2c h LYS 88 Ca -0.02 -0.16 -0.37 0.00 -1.27 0.00 0.00 60.65 58.84 3d2c h LYS 88 Cb 0.46 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 3d2c h LYS 88 CO 0.03 0.76 -2.33 0.66 -2.27 0.00 0.00 179.45 176.30 3d2c n TYR 89 N -4.58 0.12 -0.35 1.91 4.02 0.58 -4.96 117.16 113.90 3d2c n TYR 89 Ca -0.08 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 3d2c n TYR 89 Cb 0.40 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.69 3d2c n TYR 89 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3d2c n LEU 90 N -2.88 0.00 -1.55 7.72 4.77 -0.99 -4.97 117.00 119.10 3d2c n LEU 90 Ca -0.34 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.70 3d2c n LEU 90 Cb 1.12 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 42.52 3d2c n LEU 90 CO 0.40 0.00 0.73 -0.90 -1.33 0.00 0.00 177.39 176.30 3d2c n ASP 91 N 0.00 4.58 0.24 -1.43 5.75 -1.23 -4.49 116.55 119.97 3d2c n ASP 91 Ca 0.00 -2.67 0.14 0.00 -0.01 0.00 0.00 54.79 52.24 3d2c n ASP 91 Cb 0.00 -0.63 0.38 0.00 -1.03 0.00 0.00 41.12 39.84 3d2c n ASP 91 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3d2c h GLY 92 N 4.29 0.00 -1.50 6.12 0.00 -1.44 -3.38 103.07 107.16 3d2c h GLY 92 Ca 0.00 0.00 0.49 0.00 0.00 0.00 0.00 47.33 47.82 3d2c h GLY 92 CO 0.36 0.00 1.28 -1.33 0.00 0.00 0.00 176.54 176.85 3d2c h GLY 93 N 3.15 0.00 -0.31 4.60 0.00 -1.71 -1.03 103.07 107.77 3d2c h GLY 93 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d2c h GLY 93 CO 0.00 0.00 -0.16 1.16 0.00 0.00 0.00 176.54 177.55 3d2c n ASN 94 N -3.86 1.59 0.00 0.19 6.94 -1.26 0.36 115.26 119.22 3d2c n ASN 94 Ca 0.37 -2.71 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 3d2c n ASN 94 Cb 1.79 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 3d2c n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3d2c n LYS 95 N -0.96 0.32 -4.77 -3.83 5.02 -0.39 -4.86 118.16 108.69 3d2c n LYS 95 Ca 0.11 -0.78 -0.24 0.00 -2.02 0.00 0.00 58.31 55.37 3d2c n LYS 95 Cb 0.65 -0.96 -0.16 0.00 -0.02 0.00 0.00 35.03 34.55 3d2c n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d2c s VAL 96 N -0.31 1.31 -0.08 -0.18 1.01 -1.20 -0.85 120.40 120.11 3d2c s VAL 96 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3d2c s VAL 96 Cb 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3d2c s VAL 96 CO 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 175.10 175.28 3d2c n ALA 97 N 2.88 1.85 -3.06 5.51 0.00 -0.57 -4.74 120.51 122.37 3d2c n ALA 97 Ca -0.16 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.47 3d2c n ALA 97 Cb 0.54 0.16 -0.16 0.00 0.00 0.00 0.00 19.45 19.99 3d2c n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d2c s ASN 98 N -6.04 3.39 -0.06 0.00 0.01 -1.26 -1.87 114.94 109.12 3d2c s ASN 98 Ca -0.17 -0.47 0.06 0.00 -0.71 0.00 0.00 52.86 51.56 3d2c s ASN 98 Cb 0.03 -1.34 -0.01 0.00 0.41 0.00 0.00 41.25 40.34 3d2c s ASN 98 CO 0.25 0.18 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.10 3d2c s VAL 99 N 0.21 1.92 -0.09 1.60 1.01 0.05 -0.73 120.40 124.36 3d2c s VAL 99 Ca -0.13 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 3d2c s VAL 99 Cb -0.16 -1.63 0.03 0.00 0.00 0.00 0.00 36.38 34.61 3d2c s VAL 99 CO 0.07 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.98 3d2c s VAL 100 N -0.08 0.69 0.07 2.92 1.01 0.07 -1.08 120.40 124.00 3d2c s VAL 100 Ca -0.05 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.90 3d2c s VAL 100 Cb -0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3d2c s VAL 100 CO 0.04 0.30 -0.08 0.42 0.00 0.00 0.00 175.10 175.78 3d2c s THR 101 N 1.84 3.50 -0.24 3.92 -4.23 -0.67 -0.74 115.64 119.03 3d2c s THR 101 Ca 0.05 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 3d2c s THR 101 Cb -0.12 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.17 3d2c s THR 101 CO -0.07 0.21 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.35 3d2c s LEU 102 N -1.93 2.95 -1.46 4.79 1.43 0.88 -1.22 118.68 124.12 3d2c s LEU 102 Ca 0.20 -1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.02 3d2c s LEU 102 Cb -0.11 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.73 3d2c s LEU 102 CO 0.12 -0.16 0.81 0.61 0.23 0.00 0.00 176.35 177.96 3d2c n GLY 103 N 4.53 -0.51 3.77 -3.19 0.00 0.63 -1.54 105.19 108.87 3d2c n GLY 103 Ca -0.15 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3d2c n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2c s GLY 104 N -3.03 3.01 -0.67 -0.02 0.00 -1.26 -3.40 107.32 101.95 3d2c s GLY 104 Ca 0.51 1.17 -0.04 0.00 0.00 0.00 0.00 44.72 46.37 3d2c s GLY 104 CO 0.63 1.82 2.59 0.00 0.00 0.00 0.00 173.10 178.14 3d2c n ALA 105 N 0.92 6.51 -0.28 3.20 0.00 -0.58 -2.84 120.51 127.44 3d2c n ALA 105 Ca -0.00 -3.41 0.03 0.00 0.00 0.00 0.00 53.44 50.06 3d2c n ALA 105 Cb 0.42 -2.24 0.17 0.00 0.00 0.00 0.00 19.45 17.81 3d2c n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3d2c h ASN 106 N 3.32 0.56 0.11 0.00 2.35 -1.67 -1.98 115.58 118.26 3d2c h ASN 106 Ca 0.47 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 3d2c h ASN 106 Cb 0.55 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3d2c h ASN 106 CO 1.05 0.30 0.00 0.54 -1.65 0.00 0.00 177.43 177.67 3d2c n ARG 107 N -4.82 0.26 0.00 0.81 1.74 -0.16 -0.90 116.66 113.59 3d2c n ARG 107 Ca 0.14 0.09 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 3d2c n ARG 107 Cb 0.32 -1.50 0.52 0.00 -1.02 0.00 0.00 32.46 30.77 3d2c n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d2c n LEU 108 N -1.15 0.00 -0.00 0.55 4.77 -0.74 -3.99 117.00 116.43 3d2c n LEU 108 Ca 0.07 0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 3d2c n LEU 108 Cb 0.06 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3d2c n LEU 108 CO 0.08 -0.08 -0.53 0.41 -1.33 0.00 0.00 177.39 175.93 3d2c n THR 109 N -1.50 0.05 -3.44 -5.08 -1.04 -0.07 -5.08 114.28 98.12 3d2c n THR 109 Ca 0.06 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 3d2c n THR 109 Cb 0.28 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.48 3d2c n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3d2c s THR 110 N -2.02 0.00 -0.14 12.58 -1.32 -0.75 -4.99 115.64 119.01 3d2c s THR 110 Ca -0.01 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.65 3d2c s THR 110 Cb 0.00 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.85 3d2c s THR 110 CO 0.02 0.00 0.77 0.47 -2.21 0.00 0.00 174.62 173.67 3d2c n ASP 111 N -0.14 0.71 -4.45 8.08 10.43 -1.26 -3.51 116.55 126.40 3d2c n ASP 111 Ca -0.17 0.30 -0.31 0.00 2.57 0.00 0.00 54.79 57.18 3d2c n ASP 111 Cb 0.64 0.45 -0.13 0.00 1.84 0.00 0.00 41.12 43.91 3d2c n ASP 111 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3d2c s LYS 112 N -3.02 2.15 -0.22 -1.24 1.02 -1.26 -1.18 119.74 115.99 3d2c s LYS 112 Ca -0.04 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 3d2c s LYS 112 Cb 0.09 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 3d2c s LYS 112 CO 0.82 0.56 1.96 0.00 -0.92 0.00 0.00 175.35 177.77 3d2c s ALA 113 N -0.87 2.97 0.04 5.17 0.00 -0.31 -4.87 121.76 123.89 3d2c s ALA 113 Ca 0.14 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 3d2c s ALA 113 Cb -0.10 -3.99 -0.08 0.00 0.00 0.00 0.00 23.12 18.94 3d2c s ALA 113 CO 0.04 -2.44 1.83 -2.14 0.00 0.00 0.00 175.76 173.05 3d2c s PRO 114 N 5.62 4.16 0.44 0.00 0.02 -1.26 -4.73 135.00 139.24 3d2c s PRO 114 Ca 0.88 2.48 0.12 0.00 0.02 0.00 0.00 61.00 64.50 3d2c s PRO 114 Cb -0.30 -3.93 0.96 0.00 0.02 0.00 0.00 34.50 31.25 3d2c s PRO 114 CO 0.34 -0.88 2.01 -1.35 -0.33 0.00 0.00 177.00 176.80 3d2c h PRO 115 N 9.64 0.17 0.00 5.54 0.11 -1.90 -3.41 132.00 142.15 3d2c h PRO 115 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3d2c h PRO 115 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3d2c h PRO 115 CO 0.94 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 3d2c n GLY 116 N -1.15 -2.51 0.39 -0.55 0.00 -1.26 -0.84 105.19 99.26 3d2c n GLY 116 Ca -0.01 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.17 3d2c n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d2c n THR 117 N -0.10 1.55 -3.05 2.61 -2.24 0.16 -4.95 114.28 108.26 3d2c n THR 117 Ca 0.00 -1.55 -0.42 0.00 -2.27 0.00 0.00 64.05 59.81 3d2c n THR 117 Cb 0.00 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 3d2c n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d2c s ASP 118 N -1.72 6.44 0.50 3.42 -1.08 -1.25 -4.86 116.67 118.11 3d2c s ASP 118 Ca 0.24 0.07 0.17 0.00 -0.52 0.00 0.00 52.55 52.51 3d2c s ASP 118 Cb 0.19 -2.35 1.23 0.00 -1.46 0.00 0.00 42.92 40.52 3d2c s ASP 118 CO 0.07 -0.72 2.07 -0.65 0.52 0.00 0.00 175.17 176.45 3d2c h PRO 119 N 8.63 0.12 0.00 4.34 0.11 -1.97 -2.79 132.00 140.44 3d2c h PRO 119 Ca -0.25 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.64 3d2c h PRO 119 Cb 1.10 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3d2c h PRO 119 CO 0.89 0.08 -1.26 -0.91 -0.21 0.00 0.00 178.00 176.58 3d2c h ASN 120 N 0.12 0.00 -3.22 -2.05 2.35 -2.02 -3.46 115.58 107.30 3d2c h ASN 120 Ca 0.14 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.63 3d2c h ASN 120 Cb 0.38 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.42 3d2c h ASN 120 CO -0.02 0.79 -0.59 -1.58 -1.65 0.00 0.00 177.43 174.39 3d2c s GLN 121 N -2.78 0.09 0.28 0.81 2.00 -1.05 -5.14 119.66 113.87 3d2c s GLN 121 Ca -0.01 0.51 -0.25 0.00 -2.00 0.00 0.00 55.36 53.60 3d2c s GLN 121 Cb 0.09 -0.19 -0.09 0.00 0.80 0.00 0.00 33.01 33.61 3d2c s GLN 121 CO 0.81 -0.23 0.88 0.21 -0.50 0.00 0.00 175.29 176.46 3d2c s LYS 122 N 1.76 4.54 0.19 1.67 2.20 -1.26 -4.30 119.74 124.54 3d2c s LYS 122 Ca -0.03 1.24 -0.30 0.00 -0.36 0.00 0.00 55.97 56.51 3d2c s LYS 122 Cb -0.12 -2.90 -0.09 0.00 -1.51 0.00 0.00 37.83 33.21 3d2c s LYS 122 CO -0.06 0.35 1.34 0.42 -0.36 0.00 0.00 175.35 177.04 3d2c s ILE 123 N -1.51 3.16 -0.09 5.43 1.01 -0.02 -5.01 121.20 124.16 3d2c s ILE 123 Ca 0.47 0.93 -0.05 0.00 0.00 0.00 0.00 60.65 62.00 3d2c s ILE 123 Cb -0.19 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3d2c s ILE 123 CO 0.24 0.13 0.11 -0.76 0.00 0.00 0.00 174.94 174.66 3d2c s LEU 124 N 0.09 4.18 0.06 2.97 1.43 -0.78 -4.60 118.68 122.02 3d2c s LEU 124 Ca 0.58 0.36 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 3d2c s LEU 124 Cb -0.37 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 3d2c s LEU 124 CO 0.37 0.37 -0.17 -0.31 0.23 0.00 0.00 176.35 176.85 3d2c s TYR 125 N -1.05 1.45 -0.06 0.29 1.51 0.31 -0.77 117.35 119.02 3d2c s TYR 125 Ca 0.17 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 3d2c s TYR 125 Cb -0.12 -0.84 0.03 0.00 -0.11 0.00 0.00 41.96 40.92 3d2c s TYR 125 CO 0.06 0.08 -0.03 0.99 -1.11 0.00 0.00 175.55 175.55 3d2c s THR 126 N -1.00 0.51 -0.28 -0.71 2.01 -0.24 -1.12 115.64 114.82 3d2c s THR 126 Ca 0.03 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.01 3d2c s THR 126 Cb -0.09 -0.60 0.05 0.00 0.01 0.00 0.00 72.50 71.87 3d2c s THR 126 CO 0.02 0.26 -0.05 -0.55 -0.69 0.00 0.00 174.62 173.61 3d2c s SER 127 N 1.52 4.63 -0.13 3.53 0.15 0.88 -1.66 113.70 122.62 3d2c s SER 127 Ca -0.01 -1.22 -0.07 0.00 0.70 0.00 0.00 55.95 55.35 3d2c s SER 127 Cb -0.13 -1.65 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 3d2c s SER 127 CO -0.03 -0.21 0.11 -0.63 1.20 0.00 0.00 173.24 173.68 3d2c s ILE 128 N 1.23 5.29 -0.04 6.45 1.01 -0.36 -0.17 121.20 134.61 3d2c s ILE 128 Ca -0.05 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 3d2c s ILE 128 Cb -0.19 -3.31 0.07 0.00 0.01 0.00 0.00 42.46 39.03 3d2c s ILE 128 CO -0.03 0.59 0.64 -0.72 0.00 0.00 0.00 174.94 175.42 3d2c s TYR 129 N -0.77 -0.61 -0.10 3.97 -0.85 -0.82 -0.27 117.35 117.89 3d2c s TYR 129 Ca 0.13 1.02 -0.04 0.00 -0.52 0.00 0.00 57.07 57.66 3d2c s TYR 129 Cb -0.12 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 3d2c s TYR 129 CO 0.03 -0.60 0.05 0.45 -1.52 0.00 0.00 175.55 173.96 3d2c s SER 130 N -1.25 5.64 0.11 -0.18 0.15 -1.26 -0.51 113.70 116.39 3d2c s SER 130 Ca -0.11 0.25 0.17 0.00 0.70 0.00 0.00 55.95 56.95 3d2c s SER 130 Cb -0.01 -1.70 0.72 0.00 -1.71 0.00 0.00 66.02 63.32 3d2c s SER 130 CO 0.09 0.37 1.52 -1.54 1.20 0.00 0.00 173.24 174.88 3d2c n SER 131 N 2.19 0.27 -1.23 5.45 3.41 -0.32 -1.98 113.62 121.39 3d2c n SER 131 Ca -0.19 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.08 3d2c n SER 131 Cb 0.54 -0.63 0.29 0.00 -0.26 0.00 0.00 64.21 64.16 3d2c n SER 131 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d2c n ASP 132 N -1.80 4.23 -4.68 4.04 8.00 -1.26 -4.95 116.55 120.13 3d2c n ASP 132 Ca 0.02 -2.53 -0.43 0.00 0.71 0.00 0.00 54.79 52.57 3d2c n ASP 132 Cb 0.17 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 3d2c n ASP 132 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d2c s ASP 133 N -1.18 7.05 0.00 -2.24 -1.08 -0.84 -4.61 116.67 113.77 3d2c s ASP 133 Ca 0.43 1.69 0.24 0.00 -0.52 0.00 0.00 52.55 54.38 3d2c s ASP 133 Cb 0.29 -2.55 0.23 0.00 -1.46 0.00 0.00 42.92 39.43 3d2c s ASP 133 CO 0.18 -0.63 1.23 0.23 0.52 0.00 0.00 175.17 176.70 3d2c n MET 134 N 5.72 0.82 -0.10 4.34 2.81 -1.26 -4.59 117.12 124.87 3d2c n MET 134 Ca 0.12 -0.62 -0.15 0.00 -1.81 0.00 0.00 57.70 55.24 3d2c n MET 134 Cb 0.46 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.43 3d2c n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3d2c n ILE 135 N -0.54 1.50 -3.73 2.02 2.08 -1.26 -4.93 119.36 114.50 3d2c n ILE 135 Ca 0.09 -0.00 -0.37 0.00 0.56 0.00 0.00 62.75 63.02 3d2c n ILE 135 Cb 0.40 -2.22 -0.12 0.00 -0.75 0.00 0.00 39.64 36.95 3d2c n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3d2c s VAL 136 N -2.74 4.15 0.32 1.39 1.01 -1.26 -5.07 120.40 118.19 3d2c s VAL 136 Ca -0.31 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 3d2c s VAL 136 Cb 0.07 -3.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.22 3d2c s VAL 136 CO 0.44 0.11 1.49 0.23 0.00 0.00 0.00 175.10 177.36 3d2c n MET 137 N 4.90 2.51 -0.07 2.72 2.81 -1.26 -4.85 117.12 123.88 3d2c n MET 137 Ca -0.15 0.89 0.22 0.00 -1.81 0.00 0.00 57.70 56.85 3d2c n MET 137 Cb 0.49 -2.60 0.68 0.00 -0.71 0.00 0.00 33.22 31.07 3d2c n MET 137 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3d2c h ASN 138 N 3.81 0.05 -0.64 7.83 -0.26 -1.90 -0.48 115.58 123.98 3d2c h ASN 138 Ca -0.48 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.35 3d2c h ASN 138 Cb 1.25 -0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 38.44 3d2c h ASN 138 CO 0.72 0.02 0.31 0.22 -1.06 0.00 0.00 177.43 177.63 3d2c h TYR 139 N 0.05 0.55 0.00 1.19 3.20 -1.95 -1.32 116.97 118.69 3d2c h TYR 139 Ca 0.32 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 3d2c h TYR 139 Cb 1.19 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3d2c h TYR 139 CO -0.00 0.20 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.44 3d2c h LEU 140 N 0.54 0.00 0.17 2.82 3.38 -1.39 -3.23 115.31 117.61 3d2c h LEU 140 Ca 0.31 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.96 3d2c h LEU 140 Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.07 3d2c h LEU 140 CO -0.25 0.21 -1.55 0.28 0.09 0.00 0.00 178.44 177.22 3d2c h SER 141 N 0.00 0.57 -2.42 -0.43 0.02 -1.11 -0.25 113.55 109.93 3d2c h SER 141 Ca -0.00 -0.73 -0.54 0.00 -0.84 0.00 0.00 61.79 59.67 3d2c h SER 141 Cb 0.53 -0.19 0.04 0.00 0.14 0.00 0.00 62.40 62.93 3d2c h SER 141 CO 0.03 1.60 1.08 0.54 -1.14 0.00 0.00 176.83 178.94 3d2c n ARG 142 N -3.56 2.66 -4.54 3.45 1.74 -0.77 -4.74 116.66 110.88 3d2c n ARG 142 Ca -0.18 0.97 -0.33 0.00 -0.77 0.00 0.00 57.85 57.53 3d2c n ARG 142 Cb 1.07 -2.84 -0.15 0.00 -1.02 0.00 0.00 32.46 29.52 3d2c n ARG 142 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d2c s LEU 143 N 2.68 2.61 0.19 0.55 1.43 -1.26 -4.82 118.68 120.06 3d2c s LEU 143 Ca 0.83 -0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 53.21 3d2c s LEU 143 Cb -0.53 -1.60 -0.10 0.00 0.03 0.00 0.00 46.19 44.00 3d2c s LEU 143 CO 0.39 0.10 1.47 -1.81 0.23 0.00 0.00 176.35 176.73 3d2c s ASP 144 N 0.72 6.68 0.00 2.29 1.01 -0.32 -2.18 116.67 124.87 3d2c s ASP 144 Ca -0.06 2.56 0.00 0.00 0.71 0.00 0.00 52.55 55.76 3d2c s ASP 144 Cb -0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.17 3d2c s ASP 144 CO 0.02 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.28 3d2c n GLY 145 N 3.03 2.00 4.00 0.21 0.00 -1.26 -1.16 105.19 112.01 3d2c n GLY 145 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3d2c n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2c s ALA 146 N -2.34 4.27 -0.62 4.61 0.00 -0.93 -1.74 121.76 125.02 3d2c s ALA 146 Ca 0.00 -1.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.06 3d2c s ALA 146 Cb 0.00 -1.78 0.06 0.00 0.00 0.00 0.00 23.12 21.40 3d2c s ALA 146 CO 0.00 -0.70 0.94 0.50 0.00 0.00 0.00 175.76 176.50 3d2c s ARG 147 N -4.64 3.17 -0.31 0.00 3.52 -0.27 -4.86 118.95 115.55 3d2c s ARG 147 Ca 0.59 -0.68 -0.19 0.00 -0.13 0.00 0.00 55.73 55.32 3d2c s ARG 147 Cb -0.09 -4.17 -0.01 0.00 -1.56 0.00 0.00 34.95 29.12 3d2c s ARG 147 CO 0.37 -1.69 0.57 -0.80 -0.81 0.00 0.00 175.30 172.95 3d2c s ASN 148 N 3.39 6.43 -0.22 -2.12 0.01 -1.26 -0.08 114.94 121.09 3d2c s ASN 148 Ca 0.24 0.34 0.02 0.00 -0.71 0.00 0.00 52.86 52.75 3d2c s ASN 148 Cb -0.16 -2.30 0.04 0.00 0.41 0.00 0.00 41.25 39.24 3d2c s ASN 148 CO 0.13 -0.43 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.44 3d2c s VAL 149 N 2.49 2.13 -0.08 1.60 1.01 0.77 -4.96 120.40 123.36 3d2c s VAL 149 Ca 0.23 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3d2c s VAL 149 Cb -0.15 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3d2c s VAL 149 CO 0.12 0.24 0.28 -1.58 0.00 0.00 0.00 175.10 174.15 3d2c s GLN 150 N 1.19 3.81 0.45 2.72 0.74 -1.26 -1.95 119.66 125.36 3d2c s GLN 150 Ca -0.02 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.53 3d2c s GLN 150 Cb -0.17 -3.25 -0.01 0.00 1.10 0.00 0.00 33.01 30.68 3d2c s GLN 150 CO -0.09 0.63 0.05 0.44 -0.55 0.00 0.00 175.29 175.77 3d2c n ILE 151 N 2.26 0.00 -4.22 -2.34 -5.35 0.33 -4.95 119.36 105.09 3d2c n ILE 151 Ca -0.16 -2.31 -0.13 0.00 -0.27 0.00 0.00 62.75 59.88 3d2c n ILE 151 Cb 0.53 0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 38.93 3d2c n ILE 151 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3d2c s HIS 152 N -2.87 1.21 -1.57 4.28 3.76 -1.26 -1.18 115.29 117.66 3d2c s HIS 152 Ca 0.08 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 53.70 3d2c s HIS 152 Cb 0.00 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 33.05 3d2c s HIS 152 CO 0.05 -0.52 0.00 0.41 -0.85 0.00 0.00 174.74 173.83 3d2c n GLY 153 N -0.29 0.43 2.94 -2.22 0.00 -1.26 -4.95 105.19 99.84 3d2c n GLY 153 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 3d2c n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d2c s VAL 154 N -2.76 0.48 0.70 1.61 1.01 -1.26 -5.08 120.40 115.10 3d2c s VAL 154 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3d2c s VAL 154 Cb 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.98 3d2c s VAL 154 CO 0.00 0.17 1.02 -0.83 0.00 0.00 0.00 175.10 175.46 3d2c s GLY 155 N 0.26 1.65 0.13 4.51 0.00 -1.26 -3.91 107.32 108.71 3d2c s GLY 155 Ca -0.03 -0.80 -0.25 0.00 0.00 0.00 0.00 44.72 43.64 3d2c s GLY 155 CO -0.00 -0.41 1.64 0.84 0.00 0.00 0.00 173.10 175.17 3d2c h HIS 156 N -0.59 -0.64 -0.00 1.90 2.76 -1.94 -1.92 115.15 114.72 3d2c h HIS 156 Ca -0.45 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.61 3d2c h HIS 156 Cb 1.30 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 30.53 3d2c h HIS 156 CO 0.37 -0.32 -0.66 0.52 -1.30 0.00 0.00 177.93 176.54 3d2c h MET 157 N -0.34 0.00 0.00 5.26 2.86 -2.00 -3.05 114.93 117.66 3d2c h MET 157 Ca 0.08 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3d2c h MET 157 Cb 0.45 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3d2c h MET 157 CO -0.25 0.66 -0.00 0.78 1.06 0.00 0.00 176.91 179.16 3d2c h GLY 158 N 1.97 0.00 1.15 8.32 0.00 -1.74 -2.08 103.07 110.68 3d2c h GLY 158 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.43 3d2c h GLY 158 CO 0.09 0.00 0.32 1.41 0.00 0.00 0.00 176.54 178.36 3d2c h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -1.28 -0.08 115.31 120.44 3d2c h LEU 159 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d2c h LEU 159 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3d2c h LEU 159 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3d2c n LEU 160 N -4.03 0.00 -0.05 1.67 4.77 -0.78 -3.81 117.00 114.76 3d2c n LEU 160 Ca 0.06 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3d2c n LEU 160 Cb 0.50 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3d2c n LEU 160 CO 0.31 -0.03 0.31 -1.22 -1.33 0.00 0.00 177.39 175.43 3d2c n TYR 161 N -1.46 0.00 -2.80 -1.77 4.01 -0.13 -4.21 117.16 110.81 3d2c n TYR 161 Ca 0.08 -0.13 -0.42 0.00 -0.16 0.00 0.00 57.90 57.27 3d2c n TYR 161 Cb 0.30 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3d2c n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d2c s SER 162 N -0.40 7.16 0.42 7.72 0.15 -0.68 -4.92 113.70 123.15 3d2c s SER 162 Ca 0.01 1.42 0.13 0.00 0.70 0.00 0.00 55.95 58.21 3d2c s SER 162 Cb 0.01 -2.51 0.90 0.00 -1.71 0.00 0.00 66.02 62.71 3d2c s SER 162 CO 0.00 -0.33 1.95 0.77 1.20 0.00 0.00 173.24 176.83 3d2c h SER 163 N 7.02 0.07 -0.66 5.45 4.64 -1.94 0.38 113.55 128.51 3d2c h SER 163 Ca -0.35 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 3d2c h SER 163 Cb 1.17 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 3d2c h SER 163 CO 0.81 0.27 0.17 -0.61 -0.87 0.00 0.00 176.83 176.59 3d2c h GLN 164 N 0.07 1.06 -0.35 4.77 4.15 -1.98 -2.38 115.11 120.44 3d2c h GLN 164 Ca 0.01 -0.25 -0.15 0.00 0.77 0.00 0.00 58.65 59.04 3d2c h GLN 164 Cb 0.38 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3d2c h GLN 164 CO 0.03 0.94 -0.36 0.28 -1.93 0.00 0.00 178.83 177.78 3d2c h VAL 165 N 0.98 1.28 -0.24 2.39 2.07 -1.51 -3.01 116.25 118.21 3d2c h VAL 165 Ca 0.21 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.25 3d2c h VAL 165 Cb 0.36 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3d2c h VAL 165 CO 0.00 0.51 -0.11 1.88 0.02 0.00 0.00 177.57 179.86 3d2c h TYR 166 N 0.68 -0.27 -0.14 1.57 0.05 -0.63 0.11 116.97 118.33 3d2c h TYR 166 Ca 0.06 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 3d2c h TYR 166 Cb 0.92 0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 3d2c h TYR 166 CO 0.05 -0.18 -0.11 0.66 -1.05 0.00 0.00 178.16 177.54 3d2c h SER 167 N -0.08 0.20 0.01 3.88 4.64 -1.44 -0.70 113.55 120.06 3d2c h SER 167 Ca 0.13 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 3d2c h SER 167 Cb 0.28 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3d2c h SER 167 CO -0.30 0.34 -0.54 -0.07 -0.87 0.00 0.00 176.83 175.39 3d2c h LEU 168 N 0.21 0.63 -0.36 5.97 3.38 -1.15 -1.90 115.31 122.08 3d2c h LEU 168 Ca 0.04 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3d2c h LEU 168 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3d2c h LEU 168 CO 0.02 1.05 0.08 0.40 0.09 0.00 0.00 178.44 180.07 3d2c h ILE 169 N 0.44 1.23 -0.50 1.22 2.04 -0.01 -1.34 117.51 120.59 3d2c h ILE 169 Ca 0.01 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.12 3d2c h ILE 169 Cb 1.08 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 3d2c h ILE 169 CO 0.10 0.27 0.27 0.50 0.00 0.00 0.00 178.15 179.29 3d2c h LYS 170 N 0.44 0.51 -0.56 2.37 3.64 -1.03 0.08 116.57 122.02 3d2c h LYS 170 Ca 0.11 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3d2c h LYS 170 Cb 0.32 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3d2c h LYS 170 CO 0.00 0.34 0.33 0.93 -2.27 0.00 0.00 179.45 178.78 3d2c h GLU 171 N 0.53 0.76 -0.56 1.90 5.08 -1.12 -0.56 114.58 120.61 3d2c h GLU 171 Ca 0.21 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3d2c h GLU 171 Cb 0.09 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3d2c h GLU 171 CO -0.13 0.55 0.31 0.78 -1.00 0.00 0.00 179.01 179.52 3d2c h GLY 172 N 0.75 0.83 2.00 -3.84 0.00 -0.69 -0.01 103.07 102.11 3d2c h GLY 172 Ca 0.20 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3d2c h GLY 172 CO -0.04 0.35 -0.06 1.41 0.00 0.00 0.00 176.54 178.21 3d2c h LEU 173 N 0.75 0.00 -3.15 3.11 3.38 -0.68 -2.36 115.31 116.35 3d2c h LEU 173 Ca 0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 3d2c h LEU 173 Cb 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 3d2c h LEU 173 CO -0.03 0.06 0.23 0.59 0.09 0.00 0.00 178.44 179.38 3d2c n ASN 174 N -3.20 4.04 0.00 -0.43 3.02 -0.24 -4.88 115.26 113.57 3d2c n ASN 174 Ca 0.00 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.63 3d2c n ASN 174 Cb 0.32 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3d2c n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d2c n GLY 175 N -0.10 0.58 0.05 7.41 0.00 -0.89 -4.97 105.19 107.27 3d2c n GLY 175 Ca 0.32 -0.60 0.15 0.00 0.00 0.00 0.00 46.02 45.89 3d2c n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2c n GLY 176 N -2.71 -1.01 3.67 -0.02 0.00 -0.09 -4.89 105.19 100.14 3d2c n GLY 176 Ca 0.00 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3d2c n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2c s GLY 177 N -2.24 1.57 0.20 -0.02 0.00 -1.26 -4.89 107.32 100.68 3d2c s GLY 177 Ca 0.39 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3d2c s GLY 177 CO 0.41 0.14 0.08 1.20 0.00 0.00 0.00 173.10 174.93 3d2c s GLN 178 N -5.11 1.19 -0.31 2.90 -0.21 -0.32 -4.64 119.66 113.15 3d2c s GLN 178 Ca 0.67 -1.61 -0.08 0.00 0.02 0.00 0.00 55.36 54.36 3d2c s GLN 178 Cb -0.16 -0.01 0.19 0.00 1.00 0.00 0.00 33.01 34.03 3d2c s GLN 178 CO 0.57 -0.28 0.98 1.21 -2.12 0.00 0.00 175.29 175.65 3d2c s ASN 179 N -3.18 -0.57 0.00 5.90 3.84 -0.71 -0.53 114.94 119.69 3d2c s ASN 179 Ca 0.32 -0.07 0.15 0.00 0.21 0.00 0.00 52.86 53.47 3d2c s ASN 179 Cb 0.07 1.10 0.44 0.00 -0.55 0.00 0.00 41.25 42.31 3d2c s ASN 179 CO 0.09 -0.09 1.36 0.35 -2.79 0.00 0.00 177.10 176.02 3d2c n THR 180 N 4.61 0.54 1.58 -5.21 -2.24 -0.78 -5.02 114.28 107.76 3d2c n THR 180 Ca 0.08 -0.57 0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3d2c n THR 180 Cb 0.59 0.34 0.59 0.00 -2.10 0.00 0.00 70.33 69.75 3d2c n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09