#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yrt s GLY 8 N 0.00 -0.73 -0.25 0.00 0.00 -1.26 -4.89 107.32 100.19 1yrt s GLY 8 Ca 0.00 2.24 -0.02 0.00 0.00 0.00 0.00 44.72 46.94 1yrt s GLY 8 CO 0.00 3.88 0.08 -1.72 0.00 0.00 0.00 173.10 175.34 1yrt n TYR 9 N 5.32 -2.96 1.86 1.90 0.53 -1.26 -4.87 117.16 117.68 1yrt n TYR 9 Ca 0.01 1.29 0.03 0.00 -1.02 0.00 0.00 57.90 58.21 1yrt n TYR 9 Cb 0.55 -3.42 0.13 0.00 -1.03 0.00 0.00 39.34 35.58 1yrt n TYR 9 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1yrt n ALA 10 N 0.37 2.52 -3.72 -0.72 0.00 -1.26 -5.00 120.51 112.70 1yrt n ALA 10 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1yrt n ALA 10 Cb 0.06 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.48 1yrt n ALA 10 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1yrt n ASN 11 N -0.42 -1.79 -0.13 0.00 2.04 -1.26 -5.04 115.26 108.67 1yrt n ASN 11 Ca 0.04 -2.13 -0.10 0.00 -0.44 0.00 0.00 54.58 51.95 1yrt n ASN 11 Cb 0.05 2.95 -0.02 0.00 -2.53 0.00 0.00 39.78 40.24 1yrt n ASN 11 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1yrt h ALA 12 N 2.00 0.50 -0.65 -2.53 0.00 -1.98 -3.00 119.26 113.61 1yrt h ALA 12 Ca -0.27 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.46 1yrt h ALA 12 Cb 1.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1yrt h ALA 12 CO 0.35 0.25 0.36 0.00 0.00 0.00 0.00 179.25 180.21 1yrt h ALA 13 N 0.89 0.86 -0.63 0.00 0.00 -1.95 0.71 119.26 119.14 1yrt h ALA 13 Ca 0.11 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1yrt h ALA 13 Cb 0.43 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1yrt h ALA 13 CO 0.02 0.04 0.25 -0.44 0.00 0.00 0.00 179.25 179.12 1yrt h ASP 14 N 0.67 0.27 0.68 0.00 3.32 -1.90 0.07 116.42 119.54 1yrt h ASP 14 Ca 0.29 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.30 1yrt h ASP 14 Cb 0.16 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1yrt h ASP 14 CO -0.17 0.16 -0.52 0.03 -1.72 0.00 0.00 179.24 177.01 1yrt h ARG 15 N 0.44 0.00 0.00 3.56 3.08 -1.13 -3.05 114.38 117.29 1yrt h ARG 15 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1yrt h ARG 15 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1yrt h ARG 15 CO -0.30 0.52 -0.13 0.93 -1.07 0.00 0.00 179.97 179.92 1yrt h GLU 16 N 0.00 0.00 0.00 0.04 5.08 0.18 -3.29 114.58 116.59 1yrt h GLU 16 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1yrt h GLU 16 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1yrt h GLU 16 CO 0.07 0.00 -0.07 0.66 -1.00 0.00 0.00 179.01 178.66 1yrt h SER 17 N 0.00 0.00 0.00 1.42 4.64 -0.90 -3.45 113.55 115.25 1yrt h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yrt h SER 17 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1yrt h SER 17 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1yrt n GLY 18 N -0.98 1.76 3.70 -0.77 0.00 -1.24 -0.79 105.19 106.86 1yrt n GLY 18 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1yrt n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrt s ILE 19 N -3.38 4.86 0.31 -0.61 1.01 -1.26 -4.26 121.20 117.88 1yrt s ILE 19 Ca 0.00 1.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 1yrt s ILE 19 Cb 0.00 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 1yrt s ILE 19 CO 0.00 0.10 1.31 -2.65 0.00 0.00 0.00 174.94 173.70 1yrt n PRO 20 N 4.46 2.09 -0.25 2.79 -0.02 -1.26 -4.72 135.00 138.08 1yrt n PRO 20 Ca 0.06 0.73 0.06 0.00 -2.02 0.00 0.00 63.50 62.33 1yrt n PRO 20 Cb 0.50 -2.33 0.19 0.00 -0.02 0.00 0.00 33.50 31.84 1yrt n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yrt h ALA 21 N 2.96 0.98 -0.36 3.55 0.00 -1.95 0.06 119.26 124.50 1yrt h ALA 21 Ca -0.46 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1yrt h ALA 21 Cb 1.28 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1yrt h ALA 21 CO 0.66 -0.33 -0.36 0.00 0.00 0.00 0.00 179.25 179.22 1yrt h ALA 22 N 1.61 0.53 -0.44 0.00 0.00 -1.91 0.43 119.26 119.47 1yrt h ALA 22 Ca 0.42 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yrt h ALA 22 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1yrt h ALA 22 CO -0.51 0.61 0.26 0.28 0.00 0.00 0.00 179.25 179.89 1yrt h VAL 23 N 0.68 1.15 -0.48 0.00 2.07 -1.81 -2.57 116.25 115.29 1yrt h VAL 23 Ca 0.06 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1yrt h VAL 23 Cb 0.95 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1yrt h VAL 23 CO 0.09 0.15 0.21 0.25 0.02 0.00 0.00 177.57 178.29 1yrt h LEU 24 N 0.59 0.61 -0.84 2.57 6.46 -0.68 -1.43 115.31 122.59 1yrt h LEU 24 Ca 0.16 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1yrt h LEU 24 Cb 0.01 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1yrt h LEU 24 CO -0.03 0.53 0.49 0.44 -0.62 0.00 0.00 178.44 179.25 1yrt h ASP 25 N 0.67 1.02 -0.07 1.25 3.45 -0.52 -1.64 116.42 120.58 1yrt h ASP 25 Ca 0.17 -0.08 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 1yrt h ASP 25 Cb 0.10 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 1yrt h ASP 25 CO -0.02 0.81 -0.28 1.23 -1.57 0.00 0.00 179.24 179.40 1yrt h GLY 26 N 1.16 0.57 0.99 2.75 0.00 -1.01 -2.12 103.07 105.41 1yrt h GLY 26 Ca 0.30 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1yrt h GLY 26 CO -0.05 0.45 0.31 -2.22 0.00 0.00 0.00 176.54 175.03 1yrt h ILE 27 N 0.46 1.19 -0.54 2.60 2.04 -0.78 0.27 117.51 122.75 1yrt h ILE 27 Ca 0.06 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1yrt h ILE 27 Cb 0.73 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1yrt h ILE 27 CO 0.06 0.20 0.02 0.11 0.00 0.00 0.00 178.15 178.53 1yrt h LYS 28 N 0.77 0.94 -0.76 2.37 1.57 -1.21 0.40 116.57 120.65 1yrt h LYS 28 Ca 0.20 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1yrt h LYS 28 Cb 0.05 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1yrt h LYS 28 CO -0.03 0.95 0.44 0.00 -0.57 0.00 0.00 179.45 180.24 1yrt h ALA 29 N 0.96 0.98 -0.46 3.86 0.00 -0.74 -2.53 119.26 121.33 1yrt h ALA 29 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1yrt h ALA 29 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yrt h ALA 29 CO 0.02 0.47 -0.23 0.28 0.00 0.00 0.00 179.25 179.79 1yrt h VAL 30 N 1.05 1.27 -0.72 0.00 2.07 -0.23 -1.17 116.25 118.52 1yrt h VAL 30 Ca 0.27 -1.40 0.12 0.00 0.82 0.00 0.00 66.70 66.52 1yrt h VAL 30 Cb -0.00 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 1yrt h VAL 30 CO -0.05 0.48 0.30 0.00 0.02 0.00 0.00 177.57 178.32 1yrt h ALA 31 N 0.85 1.00 -0.05 1.67 0.00 -0.69 -0.60 119.26 121.44 1yrt h ALA 31 Ca 0.10 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1yrt h ALA 31 Cb 0.81 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1yrt h ALA 31 CO 0.07 -0.17 -0.92 0.87 0.00 0.00 0.00 179.25 179.10 1yrt h LYS 32 N 0.48 0.63 -0.46 0.00 1.57 -1.21 -1.96 116.57 115.61 1yrt h LYS 32 Ca 0.38 -0.61 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1yrt h LYS 32 Cb 0.53 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1yrt h LYS 32 CO -0.36 1.22 -0.06 0.93 -0.57 0.00 0.00 179.45 180.61 1yrt h GLU 33 N 0.39 0.86 -0.02 3.15 5.08 -0.69 -2.90 114.58 120.44 1yrt h GLU 33 Ca -0.09 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1yrt h GLU 33 Cb 1.55 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1yrt h GLU 33 CO 0.18 0.94 -0.05 1.63 -1.00 0.00 0.00 179.01 180.70 1yrt n LYS 34 N -4.30 1.74 -3.43 2.33 5.02 -0.28 -4.98 118.16 114.26 1yrt n LYS 34 Ca 0.00 -1.19 -0.15 0.00 -2.02 0.00 0.00 58.31 54.95 1yrt n LYS 34 Cb 0.35 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.90 1yrt n LYS 34 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1yrt n ASN 35 N 0.41 -6.31 -3.75 4.39 4.05 -0.82 -4.72 115.26 108.52 1yrt n ASN 35 Ca 0.16 -0.58 -0.13 0.00 0.45 0.00 0.00 54.58 54.48 1yrt n ASN 35 Cb 0.43 -3.74 -0.10 0.00 1.23 0.00 0.00 39.78 37.60 1yrt n ASN 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1yrt s ALA 36 N -3.10 -0.90 -0.04 5.20 0.00 -0.80 -1.12 121.76 120.98 1yrt s ALA 36 Ca 0.11 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 1yrt s ALA 36 Cb -0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1yrt s ALA 36 CO 0.82 -0.18 0.76 0.99 0.00 0.00 0.00 175.76 178.16 1yrt s THR 37 N 0.14 4.99 -0.11 0.00 2.01 -0.09 -3.67 115.64 118.91 1yrt s THR 37 Ca -0.00 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.58 1yrt s THR 37 Cb -0.03 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 1yrt s THR 37 CO 0.01 0.24 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.30 1yrt s LEU 38 N 0.79 2.85 0.02 4.42 1.43 0.28 -0.85 118.68 127.63 1yrt s LEU 38 Ca 0.41 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1yrt s LEU 38 Cb -0.19 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1yrt s LEU 38 CO 0.21 0.23 -0.20 -0.04 0.23 0.00 0.00 176.35 176.77 1yrt s MET 39 N -0.01 1.46 0.07 1.70 -1.94 -0.61 -0.74 119.30 119.23 1yrt s MET 39 Ca -0.03 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.11 1yrt s MET 39 Cb -0.14 -1.52 -0.03 0.00 2.01 0.00 0.00 34.83 35.15 1yrt s MET 39 CO 0.04 0.40 -0.09 -0.06 -0.01 0.00 0.00 175.02 175.30 1yrt s PHE 40 N -0.69 0.85 0.31 -0.03 0.40 0.53 0.82 117.98 120.16 1yrt s PHE 40 Ca 0.07 -0.62 -0.18 0.00 -0.60 0.00 0.00 56.93 55.61 1yrt s PHE 40 Cb -0.08 -0.49 -0.09 0.00 0.51 0.00 0.00 43.02 42.87 1yrt s PHE 40 CO 0.01 -0.07 0.78 1.03 0.70 0.00 0.00 175.22 177.67 1yrt s ARG 41 N -2.32 4.16 0.50 0.44 0.52 -0.11 -1.07 118.95 121.06 1yrt s ARG 41 Ca -0.01 0.85 -0.24 0.00 -0.52 0.00 0.00 55.73 55.81 1yrt s ARG 41 Cb -0.05 -2.56 -0.07 0.00 0.52 0.00 0.00 34.95 32.79 1yrt s ARG 41 CO -0.01 0.21 1.41 -0.51 0.02 0.00 0.00 175.30 176.42 1yrt s LEU 42 N -2.64 3.99 -0.08 2.53 1.43 -1.26 -4.64 118.68 118.02 1yrt s LEU 42 Ca 0.52 2.87 -0.17 0.00 -1.03 0.00 0.00 54.13 56.32 1yrt s LEU 42 Cb -0.13 -4.08 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 1yrt s LEU 42 CO 0.18 -1.37 0.46 -0.69 0.23 0.00 0.00 176.35 175.16 1yrt s VAL 43 N -1.24 5.12 -0.01 -1.59 1.01 0.03 -4.95 120.40 118.76 1yrt s VAL 43 Ca 0.66 0.94 -0.34 0.00 0.00 0.00 0.00 61.98 63.24 1yrt s VAL 43 Cb -0.43 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1yrt s VAL 43 CO 0.53 0.40 1.80 -3.20 0.00 0.00 0.00 175.10 174.64 1yrt n ASN 44 N 3.09 3.41 0.25 3.32 2.85 -1.26 -4.31 115.26 122.61 1yrt n ASN 44 Ca -0.09 1.00 0.12 0.00 -0.11 0.00 0.00 54.58 55.50 1yrt n ASN 44 Cb 0.52 -1.40 0.65 0.00 1.24 0.00 0.00 39.78 40.79 1yrt n ASN 44 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1yrt h PRO 45 N 8.39 0.00 0.00 1.20 0.13 -1.94 0.97 132.00 140.74 1yrt h PRO 45 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1yrt h PRO 45 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1yrt h PRO 45 CO 0.93 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.15 1yrt h HIS 46 N 0.00 0.00 0.00 1.56 3.86 -1.96 -3.17 115.15 115.44 1yrt h HIS 46 Ca 0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 1yrt h HIS 46 Cb 0.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1yrt h HIS 46 CO 0.00 0.00 -1.36 0.77 0.86 0.00 0.00 177.93 178.20 1yrt h SER 47 N 0.00 0.00 -0.55 2.45 0.02 -1.14 -3.41 113.55 110.92 1yrt h SER 47 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1yrt h SER 47 Cb 0.65 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.09 1yrt h SER 47 CO 0.00 0.72 -0.49 0.74 -1.14 0.00 0.00 176.83 176.65 1yrt h THR 48 N 0.00 0.05 -0.67 -2.27 2.02 -1.57 -0.89 112.91 109.58 1yrt h THR 48 Ca -0.17 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1yrt h THR 48 Cb 1.69 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1yrt h THR 48 CO 0.06 0.00 0.20 0.28 0.37 0.00 0.00 175.52 176.43 1yrt h SER 49 N -0.27 0.97 0.26 4.18 0.02 -1.81 -1.53 113.55 115.38 1yrt h SER 49 Ca 0.14 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1yrt h SER 49 Cb 0.56 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1yrt h SER 49 CO -0.68 0.92 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.73 1yrt h LEU 50 N 1.00 -0.30 -0.69 5.07 3.38 -1.67 -1.68 115.31 120.43 1yrt h LEU 50 Ca 0.22 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1yrt h LEU 50 Cb 0.30 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1yrt h LEU 50 CO -0.01 -0.10 0.32 0.40 0.09 0.00 0.00 178.44 179.15 1yrt h ILE 51 N -0.49 0.82 -0.60 1.22 2.04 -1.06 -1.22 117.51 118.22 1yrt h ILE 51 Ca -0.04 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 1yrt h ILE 51 Cb 0.37 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1yrt h ILE 51 CO 0.06 0.10 0.17 0.00 0.00 0.00 0.00 178.15 178.48 1yrt h ALA 52 N 1.43 1.17 -0.18 1.87 0.00 -0.99 -1.93 119.26 120.63 1yrt h ALA 52 Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yrt h ALA 52 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yrt h ALA 52 CO -0.28 0.57 0.00 -0.85 0.00 0.00 0.00 179.25 178.69 1yrt n GLU 53 N -4.27 1.61 -0.14 0.00 0.28 -0.66 -4.52 120.64 112.94 1yrt n GLU 53 Ca 0.05 -0.92 0.00 0.00 -0.16 0.00 0.00 57.16 56.13 1yrt n GLU 53 Cb 0.22 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1yrt n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yrt n GLY 54 N 1.03 0.92 3.77 -1.84 0.00 -0.70 -4.98 105.19 103.40 1yrt n GLY 54 Ca 0.14 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1yrt n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrt s VAL 55 N -2.00 2.99 0.85 1.61 1.01 -0.55 -4.61 120.40 119.70 1yrt s VAL 55 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1yrt s VAL 55 Cb 0.00 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 33.04 1yrt s VAL 55 CO 0.00 0.05 1.12 0.00 0.00 0.00 0.00 175.10 176.28 1yrt s ALA 56 N -1.42 2.09 -0.07 5.51 0.00 -0.17 -4.56 121.76 123.14 1yrt s ALA 56 Ca 0.60 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1yrt s ALA 56 Cb -0.32 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1yrt s ALA 56 CO 0.40 -1.96 -0.16 0.99 0.00 0.00 0.00 175.76 175.02 1yrt s THR 57 N -3.26 2.84 0.41 0.00 2.01 -1.26 -0.35 115.64 116.03 1yrt s THR 57 Ca 0.62 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 61.61 1yrt s THR 57 Cb -0.14 -2.11 -0.09 0.00 0.01 0.00 0.00 72.50 70.16 1yrt s THR 57 CO 0.53 0.57 1.01 -1.59 -0.69 0.00 0.00 174.62 174.45 1yrt s LYS 58 N -0.38 4.17 0.53 4.92 -2.85 -0.72 -4.88 119.74 120.53 1yrt s LYS 58 Ca 0.04 1.37 0.03 0.00 -1.00 0.00 0.00 55.97 56.41 1yrt s LYS 58 Cb -0.12 -2.42 0.03 0.00 -2.06 0.00 0.00 37.83 33.26 1yrt s LYS 58 CO 0.02 -0.11 0.74 0.20 0.10 0.00 0.00 175.35 176.30 1yrt s GLY 59 N -1.78 1.85 0.55 0.59 0.00 -1.26 -4.39 107.32 102.88 1yrt s GLY 59 Ca 0.59 -1.43 0.26 0.00 0.00 0.00 0.00 44.72 44.15 1yrt s GLY 59 CO 0.22 -1.15 2.01 1.41 0.00 0.00 0.00 173.10 175.59 1yrt h LEU 60 N 0.17 0.00 -0.73 0.66 3.38 -1.82 -2.75 115.31 114.22 1yrt h LEU 60 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1yrt h LEU 60 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1yrt h LEU 60 CO 0.50 0.00 0.00 1.23 0.09 0.00 0.00 178.44 180.26 1yrt h GLY 61 N 0.00 0.00 -6.80 0.83 0.00 -1.95 -3.42 103.07 91.73 1yrt h GLY 61 Ca 0.20 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.96 1yrt h GLY 61 CO -0.00 0.00 0.86 0.14 0.00 0.00 0.00 176.54 177.53 1yrt s VAL 62 N -3.42 4.24 -0.39 4.60 1.01 -1.04 -4.83 120.40 120.57 1yrt s VAL 62 Ca 0.04 1.06 0.22 0.00 0.00 0.00 0.00 61.98 63.31 1yrt s VAL 62 Cb 0.08 -4.59 -0.19 0.00 0.00 0.00 0.00 36.38 31.68 1yrt s VAL 62 CO 0.58 -1.02 0.82 1.41 0.00 0.00 0.00 175.10 176.89 1yrt n HIS 63 N 7.78 0.25 -1.60 5.22 -0.00 -1.26 -4.93 115.22 120.68 1yrt n HIS 63 Ca 0.10 0.07 -0.41 0.00 -0.00 0.00 0.00 57.72 57.48 1yrt n HIS 63 Cb 0.49 -0.49 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 1yrt n HIS 63 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yrt n ALA 64 N -2.00 0.05 -1.97 -1.41 0.00 -1.26 -4.94 120.51 108.99 1yrt n ALA 64 Ca -0.00 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 1yrt n ALA 64 Cb 0.49 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.82 1yrt n ALA 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1yrt s LYS 65 N -2.05 4.70 0.71 0.00 -0.14 -1.26 -5.04 119.74 116.66 1yrt s LYS 65 Ca 0.64 1.33 -0.11 0.00 -1.36 0.00 0.00 55.97 56.47 1yrt s LYS 65 Cb -0.55 -3.30 0.02 0.00 -1.68 0.00 0.00 37.83 32.32 1yrt s LYS 65 CO 0.56 0.47 1.07 -1.54 -0.76 0.00 0.00 175.35 175.14 1yrt s SER 66 N -0.87 5.27 -0.02 2.83 1.04 -1.26 -4.15 113.70 116.55 1yrt s SER 66 Ca 0.40 1.53 -0.05 0.00 0.48 0.00 0.00 55.95 58.31 1yrt s SER 66 Cb -0.24 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 1yrt s SER 66 CO 0.29 -1.50 0.21 -0.55 0.98 0.00 0.00 173.24 172.67 1yrt s SER 67 N -3.86 6.42 -0.08 7.02 0.15 0.20 -0.83 113.70 122.71 1yrt s SER 67 Ca 0.58 0.44 0.12 0.00 0.70 0.00 0.00 55.95 57.79 1yrt s SER 67 Cb -0.14 -2.04 0.28 0.00 -1.71 0.00 0.00 66.02 62.41 1yrt s SER 67 CO 0.55 0.28 1.20 -0.90 1.20 0.00 0.00 173.24 175.56 1yrt n ASP 68 N 1.12 2.75 -3.91 5.45 3.85 -1.26 -1.60 116.55 122.95 1yrt n ASP 68 Ca -0.12 -2.58 -0.13 0.00 -0.71 0.00 0.00 54.79 51.25 1yrt n ASP 68 Cb 0.53 -0.31 -0.08 0.00 -1.35 0.00 0.00 41.12 39.91 1yrt n ASP 68 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1yrt s TRP 69 N -2.02 1.06 0.05 2.11 1.48 -1.26 -4.89 118.94 115.47 1yrt s TRP 69 Ca 0.25 -1.27 0.00 0.00 -1.06 0.00 0.00 56.10 54.02 1yrt s TRP 69 Cb 0.19 -0.36 0.00 0.00 -1.16 0.00 0.00 33.47 32.14 1yrt s TRP 69 CO 0.06 -0.81 0.00 0.41 -4.06 0.00 0.00 176.95 172.55 1yrt n GLY 70 N -0.38 -1.29 0.18 3.67 0.00 -1.26 -1.85 105.19 104.26 1yrt n GLY 70 Ca 0.02 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 45.07 1yrt n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yrt h LEU 71 N 0.00 0.00 -1.50 0.99 3.38 -2.00 -1.99 115.31 114.19 1yrt h LEU 71 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yrt h LEU 71 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1yrt h LEU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1yrt n GLN 72 N -2.45 1.96 -1.71 1.13 0.00 -1.22 -4.96 117.38 110.13 1yrt n GLN 72 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 57.00 55.10 1yrt n GLN 72 Cb 0.17 -1.36 -0.02 0.00 0.00 0.00 0.00 30.24 29.02 1yrt n GLN 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yrt n ALA 73 N 0.69 1.92 0.00 2.61 0.00 -0.75 -1.80 120.51 123.18 1yrt n ALA 73 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1yrt n ALA 73 Cb 0.37 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1yrt n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrt n GLY 74 N 2.46 3.19 3.98 0.00 0.00 -0.63 -4.95 105.19 109.24 1yrt n GLY 74 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1yrt n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yrt s TYR 75 N -2.53 2.94 -0.41 1.61 1.51 -0.75 -4.21 117.35 115.51 1yrt s TYR 75 Ca 0.00 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1yrt s TYR 75 Cb 0.00 -2.53 0.11 0.00 -0.11 0.00 0.00 41.96 39.44 1yrt s TYR 75 CO 0.00 -0.61 0.18 0.42 -1.11 0.00 0.00 175.55 174.43 1yrt s ILE 76 N -2.59 2.97 0.29 2.71 1.01 -1.24 -0.63 121.20 123.72 1yrt s ILE 76 Ca 0.54 -2.32 -0.29 0.00 0.00 0.00 0.00 60.65 58.58 1yrt s ILE 76 Cb -0.10 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 1yrt s ILE 76 CO 0.37 -0.69 1.23 -2.16 0.00 0.00 0.00 174.94 173.69 1yrt s PRO 77 N 0.86 4.46 0.31 2.79 0.04 -1.26 -0.32 135.00 141.87 1yrt s PRO 77 Ca 0.11 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.21 1yrt s PRO 77 Cb -0.22 -3.13 0.51 0.00 0.04 0.00 0.00 34.50 31.70 1yrt s PRO 77 CO -0.05 -0.06 1.84 0.28 0.04 0.00 0.00 177.00 179.05 1yrt h VAL 78 N 3.17 1.21 -3.14 -0.36 2.07 -1.63 -3.36 116.25 114.20 1yrt h VAL 78 Ca -0.48 -0.85 -0.64 0.00 0.82 0.00 0.00 66.70 65.55 1yrt h VAL 78 Cb 1.22 0.90 -0.15 0.00 -1.52 0.00 0.00 31.29 31.74 1yrt h VAL 78 CO 0.68 0.30 0.38 0.21 0.02 0.00 0.00 177.57 179.15 1yrt s ASN 79 N -6.69 6.28 0.61 0.57 3.84 -1.26 -4.92 114.94 113.36 1yrt s ASN 79 Ca -0.08 -0.64 0.29 0.00 0.21 0.00 0.00 52.86 52.64 1yrt s ASN 79 Cb 0.15 -2.38 1.57 0.00 -0.55 0.00 0.00 41.25 40.04 1yrt s ASN 79 CO 0.78 -1.14 1.95 -0.65 -2.79 0.00 0.00 177.10 175.25 1yrt h PRO 80 N 9.23 0.00 0.00 0.43 0.11 -1.90 0.20 132.00 140.07 1yrt h PRO 80 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1yrt h PRO 80 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1yrt h PRO 80 CO 1.06 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.94 1yrt n ASN 81 N -3.46 0.00 -0.11 -2.05 3.02 -1.26 -1.34 115.26 110.06 1yrt n ASN 81 Ca 0.04 0.30 0.10 0.00 -0.03 0.00 0.00 54.58 54.98 1yrt n ASN 81 Cb 0.51 -0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 39.19 1yrt n ASN 81 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yrt n LEU 82 N -1.39 1.20 0.00 3.41 4.77 0.69 -4.28 117.00 121.40 1yrt n LEU 82 Ca 0.05 -0.56 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 1yrt n LEU 82 Cb 0.13 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1yrt n LEU 82 CO 0.11 0.27 0.21 -1.54 -1.33 0.00 0.00 177.39 175.12 1yrt n SER 83 N -1.15 0.07 0.01 -1.43 3.41 -0.45 -4.67 113.62 109.41 1yrt n SER 83 Ca 0.05 -1.14 0.05 0.00 -0.26 0.00 0.00 58.87 57.57 1yrt n SER 83 Cb 0.35 -0.25 0.24 0.00 -0.26 0.00 0.00 64.21 64.29 1yrt n SER 83 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1yrt n LYS 84 N -1.68 0.01 0.00 4.33 2.85 -0.01 -2.11 118.16 121.55 1yrt n LYS 84 Ca 0.04 0.34 0.05 0.00 -1.05 0.00 0.00 58.31 57.69 1yrt n LYS 84 Cb 0.15 -1.53 0.30 0.00 -0.65 0.00 0.00 35.03 33.29 1yrt n LYS 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1yrt n LEU 85 N -1.56 0.00 -0.25 -5.58 4.77 -1.26 -4.64 117.00 108.48 1yrt n LEU 85 Ca 0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 1yrt n LEU 85 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1yrt n LEU 85 CO 0.10 0.00 0.54 0.15 -1.33 0.00 0.00 177.39 176.84 1yrt h PHE 86 N 0.00 -1.49 -0.55 -1.77 3.57 -1.61 -0.46 116.94 114.63 1yrt h PHE 86 Ca 0.00 0.09 -0.31 0.00 3.53 0.00 0.00 57.97 61.28 1yrt h PHE 86 Cb 0.00 0.74 -0.17 0.00 2.79 0.00 0.00 35.95 39.32 1yrt h PHE 86 CO 0.00 -0.43 0.40 0.41 -2.23 0.00 0.00 178.31 176.46 1yrt n GLY 87 N -1.37 3.66 3.87 2.40 0.00 -1.26 -4.97 105.19 107.52 1yrt n GLY 87 Ca 0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1yrt n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yrt s ARG 88 N -1.90 3.23 1.20 1.61 1.81 -0.18 -5.06 118.95 119.65 1yrt s ARG 88 Ca 0.33 0.63 -0.17 0.00 -1.72 0.00 0.00 55.73 54.80 1yrt s ARG 88 Cb 0.27 -2.05 0.23 0.00 -0.45 0.00 0.00 34.95 32.95 1yrt s ARG 88 CO 0.04 -0.81 0.52 0.00 -0.68 0.00 0.00 175.30 174.37 1yrt n ALA 89 N -2.89 -3.56 0.15 2.13 0.00 -1.26 -4.74 120.51 110.34 1yrt n ALA 89 Ca 0.06 -1.37 0.01 0.00 0.00 0.00 0.00 53.44 52.15 1yrt n ALA 89 Cb 0.55 -1.59 0.18 0.00 0.00 0.00 0.00 19.45 18.59 1yrt n ALA 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1yrt h PRO 90 N -2.67 0.00 -0.08 0.00 0.11 -1.99 -2.96 132.00 124.41 1yrt h PRO 90 Ca -0.51 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1yrt h PRO 90 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1yrt h PRO 90 CO 0.37 0.56 0.01 1.49 -0.21 0.00 0.00 178.00 180.22 1yrt h GLU 91 N 0.00 0.04 0.43 1.05 4.22 -1.99 -1.14 114.58 117.20 1yrt h GLU 91 Ca -0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1yrt h GLU 91 Cb 1.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1yrt h GLU 91 CO 0.07 0.02 -0.41 0.28 -2.18 0.00 0.00 179.01 176.79 1yrt h VAL 92 N 0.04 0.00 -0.01 0.32 2.07 -1.91 0.41 116.25 117.17 1yrt h VAL 92 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1yrt h VAL 92 Cb 0.03 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1yrt h VAL 92 CO -0.05 0.00 0.03 0.40 0.02 0.00 0.00 177.57 177.97 1yrt h ILE 93 N -0.84 0.25 -0.07 4.57 2.04 -1.53 -1.15 117.51 120.77 1yrt h ILE 93 Ca -0.06 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1yrt h ILE 93 Cb 0.72 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1yrt h ILE 93 CO -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.89 1yrt h ALA 94 N 1.95 0.12 -0.37 1.87 0.00 0.01 -1.91 119.26 120.93 1yrt h ALA 94 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1yrt h ALA 94 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1yrt h ALA 94 CO -0.00 0.10 0.10 0.00 0.00 0.00 0.00 179.25 179.45 1yrt h ARG 95 N -0.24 0.59 -0.86 0.00 2.47 -0.08 -2.46 114.38 113.80 1yrt h ARG 95 Ca -0.01 -0.13 0.13 0.00 -1.26 0.00 0.00 59.98 58.71 1yrt h ARG 95 Cb 0.85 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 29.03 1yrt h ARG 95 CO 0.05 0.61 0.56 0.00 0.56 0.00 0.00 179.97 181.75 1yrt h ALA 96 N 0.95 1.83 -0.82 0.04 0.00 -1.28 0.84 119.26 120.83 1yrt h ALA 96 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yrt h ALA 96 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1yrt h ALA 96 CO -0.00 -0.05 0.53 -0.44 0.00 0.00 0.00 179.25 179.29 1yrt h ASP 97 N 0.68 0.95 -0.18 0.00 3.32 -0.87 -0.50 116.42 119.83 1yrt h ASP 97 Ca 0.42 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.32 1yrt h ASP 97 Cb 0.66 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1yrt h ASP 97 CO -0.18 0.70 -0.34 0.78 -1.72 0.00 0.00 179.24 178.48 1yrt h ASN 98 N 1.12 0.61 -0.37 6.45 2.35 -0.85 -1.80 115.58 123.09 1yrt h ASN 98 Ca 0.30 -0.55 0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1yrt h ASN 98 Cb -0.11 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.01 1yrt h ASN 98 CO -0.06 1.04 -0.20 0.44 -1.65 0.00 0.00 177.43 177.00 1yrt h ASP 99 N 0.20 -0.67 -0.16 5.81 3.45 -0.58 0.25 116.42 124.72 1yrt h ASP 99 Ca 0.01 0.15 0.03 0.00 0.43 0.00 0.00 57.03 57.64 1yrt h ASP 99 Cb 0.94 0.35 -0.03 0.00 -0.56 0.00 0.00 39.33 40.04 1yrt h ASP 99 CO 0.08 -0.23 -0.01 0.58 -1.57 0.00 0.00 179.24 178.09 1yrt h VAL 100 N -0.14 0.88 0.00 -1.35 2.07 -0.95 -2.28 116.25 114.48 1yrt h VAL 100 Ca 0.18 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 1yrt h VAL 100 Cb 0.42 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1yrt h VAL 100 CO -0.45 0.01 -0.25 0.78 0.02 0.00 0.00 177.57 177.67 1yrt h ASN 101 N 0.04 0.00 -0.30 0.57 2.35 -0.55 -2.54 115.58 115.15 1yrt h ASN 101 Ca 0.08 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1yrt h ASN 101 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1yrt h ASN 101 CO -0.13 0.25 0.07 -1.28 -1.65 0.00 0.00 177.43 174.69 1yrt h SER 102 N 0.00 0.46 -0.65 5.81 0.87 0.03 -2.17 113.55 117.90 1yrt h SER 102 Ca -0.00 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1yrt h SER 102 Cb 0.56 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1yrt h SER 102 CO 0.03 0.57 0.28 0.28 -0.53 0.00 0.00 176.83 177.46 1yrt h SER 103 N 0.32 0.91 0.65 6.23 0.02 -1.08 -2.39 113.55 118.21 1yrt h SER 103 Ca 0.09 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 1yrt h SER 103 Cb 0.29 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1yrt h SER 103 CO 0.00 0.81 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.17 1yrt h LEU 104 N 0.97 0.00 0.00 5.07 3.38 -1.31 -1.92 115.31 121.50 1yrt h LEU 104 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yrt h LEU 104 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1yrt h LEU 104 CO -0.02 0.25 -0.19 0.00 0.09 0.00 0.00 178.44 178.57 1yrt h ALA 105 N 1.75 0.90 -1.88 1.53 0.00 -0.89 -3.37 119.26 117.31 1yrt h ALA 105 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1yrt h ALA 105 Cb 0.65 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.07 1yrt h ALA 105 CO 0.03 0.00 -0.05 0.72 0.00 0.00 0.00 179.25 179.95 1yrt n HIS 106 N -2.93 3.58 0.00 0.00 8.25 -0.90 -4.90 115.22 118.32 1yrt n HIS 106 Ca 0.03 -3.44 0.00 0.00 -0.26 0.00 0.00 57.72 54.05 1yrt n HIS 106 Cb 0.52 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1yrt n HIS 106 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yrt n GLY 107 N -0.21 2.95 3.85 -1.41 0.00 -1.25 -4.95 105.19 104.17 1yrt n GLY 107 Ca 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 1yrt n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yrt s HIS 108 N -1.74 3.37 0.16 1.61 4.02 -0.77 -3.52 115.29 118.41 1yrt s HIS 108 Ca 0.00 1.27 0.06 0.00 1.02 0.00 0.00 55.06 57.40 1yrt s HIS 108 Cb 0.00 -2.58 -0.04 0.00 -1.02 0.00 0.00 32.58 28.94 1yrt s HIS 108 CO 0.00 0.04 0.07 0.95 1.02 0.00 0.00 174.74 176.82 1yrt s THR 109 N -2.05 4.15 -0.41 1.30 -4.23 -0.86 -4.30 115.64 109.25 1yrt s THR 109 Ca 0.55 -1.19 -0.10 0.00 -1.18 0.00 0.00 61.69 59.77 1yrt s THR 109 Cb -0.10 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.72 1yrt s THR 109 CO 0.18 -0.07 0.26 0.00 -0.54 0.00 0.00 174.62 174.44 1yrt s ALA 110 N -1.68 3.31 0.01 3.99 0.00 -1.26 0.84 121.76 126.98 1yrt s ALA 110 Ca 0.29 -2.03 0.02 0.00 0.00 0.00 0.00 51.96 50.24 1yrt s ALA 110 Cb -0.10 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1yrt s ALA 110 CO 0.21 -1.59 0.01 0.08 0.00 0.00 0.00 175.76 174.47 1yrt s VAL 111 N 1.48 4.20 -0.00 0.00 1.01 0.15 -4.86 120.40 122.38 1yrt s VAL 111 Ca 0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1yrt s VAL 111 Cb -0.22 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1yrt s VAL 111 CO 0.04 0.33 1.23 -1.81 0.00 0.00 0.00 175.10 174.89 1yrt s ASP 112 N -1.71 7.03 0.01 3.32 1.01 -1.26 0.29 116.67 125.35 1yrt s ASP 112 Ca 0.21 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 55.11 1yrt s ASP 112 Cb -0.12 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.19 1yrt s ASP 112 CO 0.12 -0.57 1.47 -0.22 0.21 0.00 0.00 175.17 176.19 1yrt s LEU 113 N 1.82 4.32 -0.07 1.23 2.96 0.56 -4.90 118.68 124.60 1yrt s LEU 113 Ca 0.58 2.19 0.01 0.00 -0.22 0.00 0.00 54.13 56.69 1yrt s LEU 113 Cb -0.28 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.88 1yrt s LEU 113 CO 0.25 -0.77 -0.07 0.42 -1.32 0.00 0.00 176.35 174.86 1yrt s THR 114 N 2.59 0.79 0.03 3.68 -4.23 -1.26 0.11 115.64 117.35 1yrt s THR 114 Ca 0.66 -0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1yrt s THR 114 Cb -0.33 -0.79 -0.05 0.00 1.34 0.00 0.00 72.50 72.67 1yrt s THR 114 CO 0.28 0.30 0.26 -0.76 -0.54 0.00 0.00 174.62 174.15 1yrt s LEU 115 N 1.12 4.36 0.74 4.79 1.43 0.12 -4.82 118.68 126.42 1yrt s LEU 115 Ca -0.07 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1yrt s LEU 115 Cb -0.14 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.35 1yrt s LEU 115 CO -0.01 0.22 1.08 -0.94 0.23 0.00 0.00 176.35 176.93 1yrt s SER 116 N -1.91 4.91 0.23 2.29 1.04 -1.26 -0.73 113.70 118.28 1yrt s SER 116 Ca 0.30 1.65 -0.07 0.00 0.48 0.00 0.00 55.95 58.31 1yrt s SER 116 Cb -0.13 -2.44 0.28 0.00 0.10 0.00 0.00 66.02 63.83 1yrt s SER 116 CO 0.19 -1.75 1.86 0.50 0.98 0.00 0.00 173.24 175.02 1yrt h LYS 117 N -0.93 0.96 -0.50 4.02 3.64 -1.95 0.85 116.57 122.65 1yrt h LYS 117 Ca -0.44 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 1yrt h LYS 117 Cb 1.23 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1yrt h LYS 117 CO 0.55 0.64 -0.09 0.93 -2.27 0.00 0.00 179.45 179.21 1yrt h GLU 118 N 0.99 0.95 -0.04 1.90 3.07 -1.95 -0.29 114.58 119.21 1yrt h GLU 118 Ca 0.35 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 1yrt h GLU 118 Cb 0.08 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1yrt h GLU 118 CO -0.14 1.02 -0.46 -0.09 -1.40 0.00 0.00 179.01 177.93 1yrt h ARG 119 N 0.81 0.10 -0.49 2.33 9.65 -1.81 -0.08 114.38 124.90 1yrt h ARG 119 Ca 0.13 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.86 1yrt h ARG 119 Cb 0.65 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 1yrt h ARG 119 CO 0.04 0.54 -0.08 1.25 2.80 0.00 0.00 179.97 184.52 1yrt h LEU 120 N 0.08 0.87 -0.45 3.80 5.85 -0.16 -0.90 115.31 124.40 1yrt h LEU 120 Ca 0.00 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 1yrt h LEU 120 Cb 0.85 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1yrt h LEU 120 CO 0.06 0.98 0.01 0.44 -0.34 0.00 0.00 178.44 179.60 1yrt h ASP 121 N 0.80 0.77 -0.47 1.25 3.32 -0.53 -2.61 116.42 118.94 1yrt h ASP 121 Ca 0.13 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.93 1yrt h ASP 121 Cb 0.60 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1yrt h ASP 121 CO 0.04 0.88 0.23 0.22 -1.72 0.00 0.00 179.24 178.89 1yrt h TYR 122 N 0.64 0.42 -0.82 4.55 3.20 -0.80 0.44 116.97 124.58 1yrt h TYR 122 Ca 0.13 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.07 1yrt h TYR 122 Cb 0.48 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1yrt h TYR 122 CO 0.04 0.20 0.51 -0.07 -1.64 0.00 0.00 178.16 177.20 1yrt h LEU 123 N 0.45 0.82 -0.24 2.82 3.38 -0.94 0.49 115.31 122.09 1yrt h LEU 123 Ca 0.21 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 1yrt h LEU 123 Cb 0.13 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1yrt h LEU 123 CO -0.16 0.54 -0.78 0.03 0.09 0.00 0.00 178.44 178.16 1yrt h ARG 124 N 0.96 0.64 0.00 1.13 3.08 -1.12 -0.00 114.38 119.07 1yrt h ARG 124 Ca 0.35 -0.54 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1yrt h ARG 124 Cb 0.12 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1yrt h ARG 124 CO -0.15 1.15 -0.25 0.37 -1.07 0.00 0.00 179.97 180.02 1yrt h GLN 125 N 0.43 0.00 -0.00 0.04 4.15 -0.51 -2.64 115.11 116.58 1yrt h GLN 125 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1yrt h GLN 125 Cb 1.39 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1yrt h GLN 125 CO 0.15 0.25 -0.36 0.00 -1.93 0.00 0.00 178.83 176.94 1yrt n ALA 126 N -2.24 3.23 -0.73 3.38 0.00 0.13 -4.94 120.51 119.34 1yrt n ALA 126 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1yrt n ALA 126 Cb 0.44 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1yrt n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrt n GLY 127 N 1.48 0.77 0.21 0.00 0.00 -0.85 -4.88 105.19 101.92 1yrt n GLY 127 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1yrt n GLY 127 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yrt h LEU 128 N 0.00 0.29 -7.84 0.99 3.38 -1.28 -3.36 115.31 107.49 1yrt h LEU 128 Ca 0.00 -0.11 -0.64 0.00 0.09 0.00 0.00 57.88 57.22 1yrt h LEU 128 Cb 0.00 -0.08 -0.37 0.00 0.09 0.00 0.00 40.66 40.30 1yrt h LEU 128 CO 0.00 0.63 -0.81 -0.69 0.09 0.00 0.00 178.44 177.65 1yrt s VAL 129 N -4.27 1.86 -1.75 1.22 1.01 -0.90 -4.20 120.40 113.38 1yrt s VAL 129 Ca -0.05 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 60.76 1yrt s VAL 129 Cb 0.14 -1.92 0.17 0.00 0.00 0.00 0.00 36.38 34.76 1yrt s VAL 129 CO 0.77 0.13 1.06 0.35 0.00 0.00 0.00 175.10 177.42 1yrt n THR 130 N 4.59 0.34 0.00 3.92 -2.24 0.38 -4.21 114.28 117.05 1yrt n THR 130 Ca -0.15 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1yrt n THR 130 Cb 0.45 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1yrt n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yrt n GLY 131 N 0.65 3.03 1.76 3.38 0.00 -1.24 -4.88 105.19 107.89 1yrt n GLY 131 Ca 0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.31 1yrt n GLY 131 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1yrt n MET 132 N -1.98 0.47 -0.11 1.61 0.00 -1.25 -0.25 117.12 115.60 1yrt n MET 132 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 57.70 56.82 1yrt n MET 132 Cb 0.00 1.19 0.12 0.00 0.00 0.00 0.00 33.22 34.53 1yrt n MET 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yrt n ALA 133 N -1.89 2.31 -0.79 3.17 0.00 0.15 -4.27 120.51 119.19 1yrt n ALA 133 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1yrt n ALA 133 Cb 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1yrt n ALA 133 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yrt n ASP 134 N 0.64 -1.49 0.00 0.00 -0.08 -1.26 -3.91 116.55 110.45 1yrt n ASP 134 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1yrt n ASP 134 Cb 0.39 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.54 1yrt n ASP 134 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yrt n GLY 135 N -2.15 -1.45 3.66 0.27 0.00 -1.26 -4.98 105.19 99.27 1yrt n GLY 135 Ca 0.00 0.51 -0.43 0.00 0.00 0.00 0.00 46.02 46.11 1yrt n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrt s VAL 136 N 0.00 4.31 0.10 1.61 1.01 -1.25 -1.91 120.40 124.26 1yrt s VAL 136 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1yrt s VAL 136 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1yrt s VAL 136 CO 0.00 -0.14 0.25 0.68 0.00 0.00 0.00 175.10 175.89 1yrt s VAL 137 N 3.45 5.35 0.20 2.92 -7.23 -1.11 -0.67 120.40 123.31 1yrt s VAL 137 Ca 0.54 -0.43 0.11 0.00 -1.81 0.00 0.00 61.98 60.40 1yrt s VAL 137 Cb -0.21 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.02 1yrt s VAL 137 CO 0.14 0.06 -0.24 0.00 -0.31 0.00 0.00 175.10 174.75 1yrt s ALA 138 N -1.60 2.55 -0.19 1.32 0.00 0.65 -4.64 121.76 119.85 1yrt s ALA 138 Ca 0.36 -1.65 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 1yrt s ALA 138 Cb -0.12 -0.33 0.09 0.00 0.00 0.00 0.00 23.12 22.75 1yrt s ALA 138 CO 0.28 0.42 0.80 0.45 0.00 0.00 0.00 175.76 177.71 1yrt s SER 139 N -2.72 -0.62 0.00 0.00 0.15 -1.26 -0.47 113.70 108.78 1yrt s SER 139 Ca 0.21 1.00 0.13 0.00 0.70 0.00 0.00 55.95 58.00 1yrt s SER 139 Cb -0.08 0.95 0.45 0.00 -1.71 0.00 0.00 66.02 65.64 1yrt s SER 139 CO 0.10 -0.35 1.34 -0.46 1.20 0.00 0.00 173.24 175.08 1yrt n ASN 140 N 1.85 1.46 -4.75 5.45 0.23 -1.26 -4.77 115.26 113.46 1yrt n ASN 140 Ca -0.15 -1.88 -0.37 0.00 -0.53 0.00 0.00 54.58 51.65 1yrt n ASN 140 Cb 0.56 -0.15 0.03 0.00 -2.08 0.00 0.00 39.78 38.14 1yrt n ASN 140 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1yrt s HIS 141 N -1.69 2.45 0.56 -2.53 2.46 -1.26 -4.88 115.29 110.40 1yrt s HIS 141 Ca 0.23 1.46 0.30 0.00 0.47 0.00 0.00 55.06 57.53 1yrt s HIS 141 Cb 0.12 -3.60 1.79 0.00 -0.13 0.00 0.00 32.58 30.77 1yrt s HIS 141 CO 0.17 -2.36 2.23 0.00 -2.47 0.00 0.00 174.74 172.32 1yrt h ALA 142 N 1.38 1.46 0.00 1.58 0.00 -2.03 -2.21 119.26 119.43 1yrt h ALA 142 Ca -0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1yrt h ALA 142 Cb 1.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yrt h ALA 142 CO 0.57 0.03 -0.11 0.78 0.00 0.00 0.00 179.25 180.51 1yrt h GLY 143 N 0.15 0.00 0.84 0.00 0.00 -1.95 -1.54 103.07 100.57 1yrt h GLY 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yrt h GLY 143 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1yrt n TYR 144 N -3.33 0.00 0.29 5.60 4.02 -0.83 -0.91 117.16 122.01 1yrt n TYR 144 Ca -0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1yrt n TYR 144 Cb 0.32 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.56 1yrt n TYR 144 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1yrt n GLU 145 N -0.92 0.47 -0.01 -0.72 -0.58 -0.58 -4.26 120.64 114.04 1yrt n GLU 145 Ca 0.15 -0.07 0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1yrt n GLU 145 Cb 0.07 -1.59 -0.09 0.00 -0.57 0.00 0.00 31.44 29.26 1yrt n GLU 145 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1yrt n GLN 146 N -2.15 0.39 -4.14 3.49 7.27 -0.58 -4.87 117.38 116.78 1yrt n GLN 146 Ca -0.01 -0.11 -0.14 0.00 0.07 0.00 0.00 57.00 56.82 1yrt n GLN 146 Cb 0.50 -1.28 -0.11 0.00 2.41 0.00 0.00 30.24 31.76 1yrt n GLN 146 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1yrt s PHE 147 N -2.82 0.95 0.04 3.69 0.40 -0.08 -0.70 117.98 119.46 1yrt s PHE 147 Ca -0.04 -0.63 0.08 0.00 -0.60 0.00 0.00 56.93 55.74 1yrt s PHE 147 Cb 0.08 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 43.04 1yrt s PHE 147 CO 0.49 -0.04 -0.23 -1.21 0.70 0.00 0.00 175.22 174.93 1yrt s GLU 148 N -2.51 1.92 0.10 0.44 2.02 0.25 -4.41 118.70 116.51 1yrt s GLU 148 Ca 0.01 -1.05 0.03 0.00 0.02 0.00 0.00 54.97 53.98 1yrt s GLU 148 Cb -0.04 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1yrt s GLU 148 CO -0.00 0.53 -0.08 -0.06 0.02 0.00 0.00 175.26 175.66 1yrt s PHE 149 N -0.85 0.95 0.24 1.61 0.40 -1.26 -1.45 117.98 117.62 1yrt s PHE 149 Ca 0.13 -0.79 -0.18 0.00 -0.60 0.00 0.00 56.93 55.49 1yrt s PHE 149 Cb -0.10 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 42.91 1yrt s PHE 149 CO 0.03 -0.08 0.59 -0.98 0.70 0.00 0.00 175.22 175.48 1yrt s ARG 150 N -3.36 1.58 0.14 0.44 1.70 -0.19 -2.76 118.95 116.50 1yrt s ARG 150 Ca 0.09 -1.01 0.05 0.00 -0.47 0.00 0.00 55.73 54.39 1yrt s ARG 150 Cb 0.02 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 1yrt s ARG 150 CO -0.02 -0.69 -0.11 0.54 -1.08 0.00 0.00 175.30 173.94 1yrt s VAL 151 N -3.93 1.19 -0.07 4.99 0.11 -0.80 -1.26 120.40 120.63 1yrt s VAL 151 Ca 0.13 -2.02 -0.03 0.00 -2.93 0.00 0.00 61.98 57.13 1yrt s VAL 151 Cb -0.03 -1.81 0.04 0.00 -1.53 0.00 0.00 36.38 33.06 1yrt s VAL 151 CO 0.04 -0.71 0.14 -0.54 -3.33 0.00 0.00 175.10 170.69 1yrt s LYS 152 N -3.62 0.03 0.36 1.54 1.02 -0.81 -4.84 119.74 113.42 1yrt s LYS 152 Ca 0.16 0.46 -0.28 0.00 0.02 0.00 0.00 55.97 56.32 1yrt s LYS 152 Cb 0.02 -0.27 -0.11 0.00 -0.52 0.00 0.00 37.83 36.95 1yrt s LYS 152 CO 0.01 -0.26 1.40 -2.00 -0.92 0.00 0.00 175.35 173.58 1yrt s GLU 153 N 1.85 4.22 0.65 1.68 2.12 -1.26 -1.35 118.70 126.62 1yrt s GLU 153 Ca -0.01 2.40 0.05 0.00 0.36 0.00 0.00 54.97 57.77 1yrt s GLU 153 Cb -0.12 -3.02 0.11 0.00 0.26 0.00 0.00 34.13 31.37 1yrt s GLU 153 CO -0.05 -0.37 0.89 0.95 -0.54 0.00 0.00 175.26 176.14 1yrt s THR 154 N -1.13 2.08 -1.99 -1.70 -4.23 0.81 -4.87 115.64 104.61 1yrt s THR 154 Ca 0.51 -0.83 0.30 0.00 -1.18 0.00 0.00 61.69 60.48 1yrt s THR 154 Cb -0.43 -2.25 0.63 0.00 1.34 0.00 0.00 72.50 71.79 1yrt s THR 154 CO 0.58 0.00 1.95 -1.54 -0.54 0.00 0.00 174.62 175.07 1yrt n SER 155 N -2.52 0.59 0.01 3.99 3.41 -1.26 -2.87 113.62 114.97 1yrt n SER 155 Ca 0.16 -0.96 0.13 0.00 -0.26 0.00 0.00 58.87 57.94 1yrt n SER 155 Cb 0.61 -0.03 0.40 0.00 -0.26 0.00 0.00 64.21 64.93 1yrt n SER 155 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1yrt n ASP 156 N -0.67 0.34 0.00 4.04 -0.08 -1.26 -4.92 116.55 113.99 1yrt n ASP 156 Ca 0.19 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1yrt n ASP 156 Cb 0.24 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1yrt n ASP 156 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yrt n GLY 157 N 1.48 0.79 4.03 0.27 0.00 -1.14 -5.05 105.19 105.57 1yrt n GLY 157 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1yrt n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yrt s ARG 158 N -0.42 2.27 -0.13 1.61 0.52 -1.26 -4.26 118.95 117.28 1yrt s ARG 158 Ca 0.00 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.58 1yrt s ARG 158 Cb 0.00 -2.64 0.02 0.00 0.52 0.00 0.00 34.95 32.86 1yrt s ARG 158 CO 0.00 -0.89 -0.12 0.71 0.02 0.00 0.00 175.30 175.02 1yrt s TYR 159 N -2.69 1.90 0.06 -0.53 1.51 0.09 -0.13 117.35 117.55 1yrt s TYR 159 Ca 0.62 -1.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1yrt s TYR 159 Cb -0.06 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1yrt s TYR 159 CO 0.39 -0.59 0.99 0.00 -1.11 0.00 0.00 175.55 175.22 1yrt s ALA 160 N 1.52 3.21 -0.17 3.71 0.00 -0.45 0.15 121.76 129.73 1yrt s ALA 160 Ca 0.04 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1yrt s ALA 160 Cb -0.13 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1yrt s ALA 160 CO -0.09 -0.15 0.47 0.08 0.00 0.00 0.00 175.76 176.07 1yrt s VAL 161 N 0.54 5.17 0.09 0.00 1.01 0.12 -1.93 120.40 125.39 1yrt s VAL 161 Ca 0.50 0.89 0.06 0.00 0.00 0.00 0.00 61.98 63.42 1yrt s VAL 161 Cb -0.23 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1yrt s VAL 161 CO 0.29 0.26 -0.15 -1.10 0.00 0.00 0.00 175.10 174.40 1yrt s GLN 162 N 1.12 0.92 0.17 2.72 -0.21 -0.38 -0.96 119.66 123.03 1yrt s GLN 162 Ca 0.23 -1.07 -0.13 0.00 0.02 0.00 0.00 55.36 54.42 1yrt s GLN 162 Cb -0.15 -0.92 0.01 0.00 1.00 0.00 0.00 33.01 32.95 1yrt s GLN 162 CO 0.09 0.20 0.38 1.52 -2.12 0.00 0.00 175.29 175.36 1yrt s TYR 163 N -1.53 0.16 0.08 0.91 -0.00 0.45 -1.02 117.35 116.39 1yrt s TYR 163 Ca 0.02 -0.51 -0.16 0.00 -0.00 0.00 0.00 57.07 56.42 1yrt s TYR 163 Cb -0.08 0.13 0.03 0.00 -0.00 0.00 0.00 41.96 42.04 1yrt s TYR 163 CO 0.03 -0.79 0.39 -0.98 -0.00 0.00 0.00 175.55 174.20 1yrt s ARG 164 N -3.92 0.96 0.14 -3.49 1.70 -0.53 -1.09 118.95 112.72 1yrt s ARG 164 Ca 0.13 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 1yrt s ARG 164 Cb 0.02 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 1yrt s ARG 164 CO -0.02 -0.34 1.04 0.50 -1.08 0.00 0.00 175.30 175.40 1yrt s ARG 165 N -3.04 4.63 -0.31 3.89 3.52 -1.26 -0.58 118.95 125.80 1yrt s ARG 165 Ca -0.02 1.60 -0.36 0.00 -0.13 0.00 0.00 55.73 56.82 1yrt s ARG 165 Cb 0.00 -3.33 -0.16 0.00 -1.56 0.00 0.00 34.95 29.91 1yrt s ARG 165 CO -0.06 0.12 1.18 1.17 -0.81 0.00 0.00 175.30 176.90 1yrt n LYS 166 N 2.66 0.00 -1.65 5.12 0.00 0.12 0.62 118.16 125.04 1yrt n LYS 166 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.20 1yrt n LYS 166 Cb 0.48 -1.20 -0.05 0.00 0.00 0.00 0.00 35.03 34.26 1yrt n LYS 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yrt n GLY 167 N 2.74 1.02 3.20 3.14 0.00 -1.26 -4.98 105.19 109.05 1yrt n GLY 167 Ca 0.23 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1yrt n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yrt s GLY 168 N -2.71 2.18 0.00 -0.02 0.00 0.20 -4.98 107.32 101.99 1yrt s GLY 168 Ca 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 44.72 41.97 1yrt s GLY 168 CO 0.00 1.12 0.15 1.34 0.00 0.00 0.00 173.10 175.71 1yrt n ASP 169 N 4.54 0.00 -3.80 1.64 4.64 -1.26 -4.54 116.55 117.78 1yrt n ASP 169 Ca -0.02 0.01 -0.14 0.00 -1.38 0.00 0.00 54.79 53.26 1yrt n ASP 169 Cb 0.41 -0.01 -0.15 0.00 -1.04 0.00 0.00 41.12 40.33 1yrt n ASP 169 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1yrt s ASP 170 N -1.30 0.03 0.40 1.67 -1.08 -1.26 -5.12 116.67 110.00 1yrt s ASP 170 Ca 0.00 0.06 -0.25 0.00 -0.52 0.00 0.00 52.55 51.84 1yrt s ASP 170 Cb 0.00 -0.02 -0.09 0.00 -1.46 0.00 0.00 42.92 41.36 1yrt s ASP 170 CO 0.00 -0.09 1.16 -0.36 0.52 0.00 0.00 175.17 176.40 1yrt s PHE 171 N 0.75 3.10 0.05 -5.34 0.08 -1.26 -4.69 117.98 110.67 1yrt s PHE 171 Ca -0.06 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.51 1yrt s PHE 171 Cb -0.09 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 38.97 1yrt s PHE 171 CO -0.02 -1.25 0.06 -1.83 -0.10 0.00 0.00 175.22 172.07 1yrt s GLU 172 N -2.29 0.60 0.31 0.44 -1.05 -0.25 -4.91 118.70 111.56 1yrt s GLU 172 Ca 0.57 -0.90 -0.29 0.00 -0.15 0.00 0.00 54.97 54.19 1yrt s GLU 172 Cb -0.30 0.23 -0.11 0.00 -0.44 0.00 0.00 34.13 33.51 1yrt s GLU 172 CO 0.38 -0.14 1.47 0.00 0.95 0.00 0.00 175.26 177.92 1yrt s ALA 173 N -3.04 3.62 -0.26 -0.84 0.00 -1.26 -0.41 121.76 119.57 1yrt s ALA 173 Ca -0.01 1.46 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 1yrt s ALA 173 Cb 0.01 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1yrt s ALA 173 CO -0.07 -0.88 1.11 0.08 0.00 0.00 0.00 175.76 176.00 1yrt s VAL 174 N -0.51 4.50 0.18 0.00 1.01 -0.13 -4.81 120.40 120.64 1yrt s VAL 174 Ca 0.57 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 64.19 1yrt s VAL 174 Cb -0.44 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.58 1yrt s VAL 174 CO 0.52 -0.31 0.58 -0.54 0.00 0.00 0.00 175.10 175.34 1yrt s LYS 175 N 3.51 3.97 0.02 2.72 1.02 -1.26 -0.32 119.74 129.40 1yrt s LYS 175 Ca 0.47 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.98 1yrt s LYS 175 Cb -0.15 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 1yrt s LYS 175 CO 0.12 0.42 -0.08 0.54 -0.92 0.00 0.00 175.35 175.44 1yrt s VAL 176 N -1.57 0.58 0.12 3.17 0.11 0.14 -1.63 120.40 121.32 1yrt s VAL 176 Ca 0.41 -0.74 -0.31 0.00 -2.93 0.00 0.00 61.98 58.41 1yrt s VAL 176 Cb -0.14 -0.57 -0.08 0.00 -1.53 0.00 0.00 36.38 34.06 1yrt s VAL 176 CO 0.20 -0.13 1.40 -0.63 -3.33 0.00 0.00 175.10 172.61 1yrt s ILE 177 N -0.81 3.25 0.46 7.04 1.01 0.56 -0.67 121.20 132.04 1yrt s ILE 177 Ca -0.04 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.53 1yrt s ILE 177 Cb -0.07 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 1yrt s ILE 177 CO 0.00 0.07 0.08 0.61 0.00 0.00 0.00 174.94 175.71 1yrt n GLY 178 N 3.52 3.37 3.54 6.18 0.00 0.25 -1.66 105.19 120.38 1yrt n GLY 178 Ca 0.12 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 1yrt n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yrt n ASN 179 N -1.42 -0.69 0.27 1.61 3.02 0.24 -2.02 115.26 116.26 1yrt n ASN 179 Ca -0.13 0.46 0.15 0.00 -0.03 0.00 0.00 54.58 55.03 1yrt n ASN 179 Cb 0.64 -1.33 0.75 0.00 -0.61 0.00 0.00 39.78 39.22 1yrt n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yrt h ALA 180 N -1.24 1.11 -0.18 5.41 0.00 -1.89 0.49 119.26 122.97 1yrt h ALA 180 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1yrt h ALA 180 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yrt h ALA 180 CO 0.40 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1yrt n ALA 181 N -2.19 2.50 -0.83 0.00 0.00 -1.26 -4.86 120.51 113.88 1yrt n ALA 181 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1yrt n ALA 181 Cb 0.26 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1yrt n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrt n GLY 182 N 0.97 0.64 3.64 0.00 0.00 0.17 -5.03 105.19 105.58 1yrt n GLY 182 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1yrt n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yrt s ILE 183 N -2.25 5.07 0.55 -0.61 1.01 -1.26 -4.61 121.20 119.10 1yrt s ILE 183 Ca 0.00 0.97 -0.18 0.00 0.00 0.00 0.00 60.65 61.44 1yrt s ILE 183 Cb 0.00 -3.86 -0.10 0.00 0.01 0.00 0.00 42.46 38.51 1yrt s ILE 183 CO 0.00 0.12 0.34 -2.65 0.00 0.00 0.00 174.94 172.75 1yrt n PRO 184 N 5.22 0.37 -4.26 2.79 -0.02 -1.26 0.80 135.00 138.63 1yrt n PRO 184 Ca -0.04 0.14 -0.31 0.00 -2.02 0.00 0.00 63.50 61.28 1yrt n PRO 184 Cb 0.50 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.39 1yrt n PRO 184 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yrt s LEU 185 N 1.96 3.30 0.38 2.45 1.43 -0.66 -1.00 118.68 126.53 1yrt s LEU 185 Ca 0.65 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 1yrt s LEU 185 Cb -0.46 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1yrt s LEU 185 CO 0.58 0.22 0.18 0.28 0.23 0.00 0.00 176.35 177.84 1yrt s THR 186 N -1.17 0.37 0.54 5.49 -1.32 0.53 -3.65 115.64 116.42 1yrt s THR 186 Ca 0.22 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.48 1yrt s THR 186 Cb -0.11 -2.39 -0.05 0.00 -1.51 0.00 0.00 72.50 68.44 1yrt s THR 186 CO 0.13 0.00 1.28 0.00 -2.21 0.00 0.00 174.62 173.83 1yrt s ALA 187 N -3.31 2.80 0.82 11.08 0.00 -1.26 -1.75 121.76 130.14 1yrt s ALA 187 Ca 0.29 1.18 -0.07 0.00 0.00 0.00 0.00 51.96 53.37 1yrt s ALA 187 Cb 0.02 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.80 1yrt s ALA 187 CO 0.19 -1.17 1.13 0.16 0.00 0.00 0.00 175.76 176.07 1yrt s ASP 188 N -1.17 3.81 -0.37 0.00 -4.77 -1.26 -4.63 116.67 108.28 1yrt s ASP 188 Ca 0.71 -0.14 -0.17 0.00 -3.30 0.00 0.00 52.55 49.65 1yrt s ASP 188 Cb -0.36 -0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.40 1yrt s ASP 188 CO 0.42 -2.24 0.44 -0.63 0.70 0.00 0.00 175.17 173.86 1yrt s ILE 189 N -3.45 5.08 -0.20 2.11 1.01 0.20 -5.01 121.20 120.94 1yrt s ILE 189 Ca 0.70 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 61.13 1yrt s ILE 189 Cb -0.04 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1yrt s ILE 189 CO 0.48 -0.25 0.80 -1.81 0.00 0.00 0.00 174.94 174.17 1yrt s ASP 190 N 1.78 6.87 -0.06 3.58 1.01 -1.26 -4.50 116.67 124.09 1yrt s ASP 190 Ca 0.15 1.08 -0.21 0.00 0.71 0.00 0.00 52.55 54.27 1yrt s ASP 190 Cb -0.16 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1yrt s ASP 190 CO 0.13 -0.43 0.62 -0.04 0.21 0.00 0.00 175.17 175.66 1yrt s MET 191 N 2.39 4.39 -0.04 8.23 -1.94 -1.26 -0.94 119.30 130.14 1yrt s MET 191 Ca 0.36 0.74 -0.18 0.00 -1.71 0.00 0.00 55.69 54.90 1yrt s MET 191 Cb -0.16 -3.42 -0.32 0.00 2.01 0.00 0.00 34.83 32.94 1yrt s MET 191 CO 0.10 0.16 0.83 0.35 -0.01 0.00 0.00 175.02 176.45 1yrt h PHE 192 N 6.48 0.68 -2.61 -0.03 3.57 0.14 -0.12 116.94 125.05 1yrt h PHE 192 Ca -0.42 -0.50 0.06 0.00 3.53 0.00 0.00 57.97 60.64 1yrt h PHE 192 Cb 1.19 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 39.78 1yrt h PHE 192 CO 0.64 1.48 0.37 0.00 -2.23 0.00 0.00 178.31 178.57 1yrt s ALA 193 N -2.51 -1.69 -0.09 2.41 0.00 -1.10 -2.70 121.76 116.08 1yrt s ALA 193 Ca -0.14 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 1yrt s ALA 193 Cb 0.03 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1yrt s ALA 193 CO 0.86 -0.76 -0.06 0.42 0.00 0.00 0.00 175.76 176.22 1yrt s ILE 194 N -3.43 0.83 -0.50 0.00 1.01 -1.26 -1.58 121.20 116.28 1yrt s ILE 194 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1yrt s ILE 194 Cb -0.01 -0.87 0.13 0.00 0.01 0.00 0.00 42.46 41.71 1yrt s ILE 194 CO -0.09 0.33 0.29 -0.04 0.00 0.00 0.00 174.94 175.42 1yrt s MET 195 N 1.60 2.18 0.35 2.79 -1.94 -0.03 -4.88 119.30 119.37 1yrt s MET 195 Ca 0.02 -2.16 -0.25 0.00 -1.71 0.00 0.00 55.69 51.58 1yrt s MET 195 Cb -0.13 -3.59 -0.10 0.00 2.01 0.00 0.00 34.83 33.02 1yrt s MET 195 CO -0.06 -1.11 0.99 -1.25 -0.01 0.00 0.00 175.02 173.59 1yrt s PRO 196 N 0.54 4.42 0.38 2.03 0.04 -1.25 -0.91 135.00 140.24 1yrt s PRO 196 Ca 0.12 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 1yrt s PRO 196 Cb -0.22 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 1yrt s PRO 196 CO -0.04 0.11 1.14 -1.58 0.04 0.00 0.00 177.00 176.66 1yrt s HIS 197 N -1.64 3.20 0.52 0.56 2.46 -0.28 -0.49 115.29 119.62 1yrt s HIS 197 Ca 0.53 1.59 0.19 0.00 0.47 0.00 0.00 55.06 57.84 1yrt s HIS 197 Cb -0.20 -3.33 1.30 0.00 -0.13 0.00 0.00 32.58 30.22 1yrt s HIS 197 CO 0.25 -1.05 2.10 1.25 -2.47 0.00 0.00 174.74 174.82 1yrt h LEU 198 N 2.84 0.01 -2.83 8.88 5.85 -1.54 -0.63 115.31 127.90 1yrt h LEU 198 Ca -0.48 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1yrt h LEU 198 Cb 1.23 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1yrt h LEU 198 CO 0.63 0.01 -0.00 0.77 -0.34 0.00 0.00 178.44 179.51 1yrt h SER 199 N 0.02 0.00 0.00 1.25 4.64 -1.91 -1.58 113.55 115.97 1yrt h SER 199 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1yrt h SER 199 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1yrt h SER 199 CO -0.00 0.00 0.03 0.59 -0.87 0.00 0.00 176.83 176.58 1yrt n ASN 200 N -3.17 0.08 -0.53 4.97 3.02 -0.24 -2.94 115.26 116.43 1yrt n ASN 200 Ca -0.03 0.51 0.05 0.00 -0.03 0.00 0.00 54.58 55.08 1yrt n ASN 200 Cb 0.09 -0.51 0.13 0.00 -0.61 0.00 0.00 39.78 38.87 1yrt n ASN 200 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1yrt n PHE 201 N -1.58 0.38 0.05 3.10 3.01 -0.59 -4.68 117.46 117.15 1yrt n PHE 201 Ca -0.00 -0.48 -0.11 0.00 1.01 0.00 0.00 57.45 57.87 1yrt n PHE 201 Cb 0.04 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.43 1yrt n PHE 201 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1yrt h ARG 202 N 1.72 -0.15 -0.57 -1.08 2.43 -1.71 0.38 114.38 115.40 1yrt h ARG 202 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1yrt h ARG 202 Cb 0.68 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1yrt h ARG 202 CO 0.00 -0.10 0.27 -0.44 -1.51 0.00 0.00 179.97 178.20 1yrt h ASP 203 N -0.15 0.74 -0.54 -3.80 3.32 -1.85 0.05 116.42 114.19 1yrt h ASP 203 Ca 0.03 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.02 1yrt h ASP 203 Cb 0.19 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1yrt h ASP 203 CO -0.08 0.67 0.22 -1.28 -1.72 0.00 0.00 179.24 177.04 1yrt h SER 204 N 0.77 0.25 0.26 6.45 0.87 -1.80 0.12 113.55 120.48 1yrt h SER 204 Ca 0.20 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1yrt h SER 204 Cb 0.12 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1yrt h SER 204 CO -0.02 0.17 -0.13 0.00 -0.53 0.00 0.00 176.83 176.32 1yrt h ALA 205 N 1.34 -0.35 -0.99 6.23 0.00 -0.14 -2.70 119.26 122.65 1yrt h ALA 205 Ca 0.26 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1yrt h ALA 205 Cb 0.26 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1yrt h ALA 205 CO -0.24 -0.62 0.65 0.00 0.00 0.00 0.00 179.25 179.04 1yrt h ARG 206 N -0.50 1.25 0.00 0.00 3.08 -0.73 -0.72 114.38 116.75 1yrt h ARG 206 Ca -0.04 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1yrt h ARG 206 Cb 0.38 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1yrt h ARG 206 CO 0.06 0.83 -0.09 1.03 -1.07 0.00 0.00 179.97 180.72 1yrt h SER 207 N 1.29 0.00 0.04 7.04 0.87 -0.72 0.35 113.55 122.42 1yrt h SER 207 Ca 0.39 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1yrt h SER 207 Cb -0.05 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1yrt h SER 207 CO -0.11 0.09 -0.29 -1.28 -0.53 0.00 0.00 176.83 174.72 1yrt h SER 208 N 0.00 0.14 0.19 6.23 0.87 -0.91 -3.41 113.55 116.65 1yrt h SER 208 Ca -0.00 -0.97 -0.35 0.00 -1.23 0.00 0.00 61.79 59.23 1yrt h SER 208 Cb 0.18 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1yrt h SER 208 CO 0.01 1.14 -1.99 0.52 -0.53 0.00 0.00 176.83 175.98 1yrt n VAL 209 N -4.45 1.72 0.00 2.23 0.31 -0.39 -4.88 118.33 112.87 1yrt n VAL 209 Ca -0.12 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 1yrt n VAL 209 Cb 0.59 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1yrt n VAL 209 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1yrt n THR 210 N -3.36 0.00 -2.75 2.52 -1.04 0.11 -5.00 114.28 104.77 1yrt n THR 210 Ca -0.30 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.61 1yrt n THR 210 Cb 1.05 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.60 1yrt n THR 210 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yrt n SER 211 N 0.00 0.53 0.00 8.00 7.64 -1.05 -4.69 113.62 124.05 1yrt n SER 211 Ca 0.00 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.13 1yrt n SER 211 Cb 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1yrt n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yrt n GLY 212 N -0.10 0.89 3.90 0.23 0.00 -0.47 -4.87 105.19 104.78 1yrt n GLY 212 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1yrt n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yrt s ASP 213 N -3.02 6.43 0.87 1.61 1.01 -1.26 -4.83 116.67 117.48 1yrt s ASP 213 Ca 0.00 0.76 -0.11 0.00 0.71 0.00 0.00 52.55 53.92 1yrt s ASP 213 Cb 0.00 -2.17 0.12 0.00 1.01 0.00 0.00 42.92 41.88 1yrt s ASP 213 CO 0.00 -0.26 1.15 -0.94 0.21 0.00 0.00 175.17 175.34 1yrt s SER 214 N -3.29 3.28 0.13 0.27 1.04 -1.26 -4.76 113.70 109.11 1yrt s SER 214 Ca 0.45 2.18 -0.19 0.00 0.48 0.00 0.00 55.95 58.86 1yrt s SER 214 Cb -0.11 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 1yrt s SER 214 CO 0.31 -2.87 1.72 0.58 0.98 0.00 0.00 173.24 173.97 1yrt h VAL 215 N -1.56 0.86 0.14 5.02 2.07 -1.98 0.24 116.25 121.04 1yrt h VAL 215 Ca -0.44 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1yrt h VAL 215 Cb 1.27 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1yrt h VAL 215 CO 0.44 0.01 -0.50 0.74 0.02 0.00 0.00 177.57 178.28 1yrt h THR 216 N 0.08 0.04 0.00 2.57 2.02 -2.00 -1.24 112.91 114.39 1yrt h THR 216 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1yrt h THR 216 Cb 0.12 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1yrt h THR 216 CO -0.16 0.00 -0.04 0.44 0.37 0.00 0.00 175.52 176.13 1yrt h ASP 217 N -0.74 0.00 -0.44 4.18 3.32 -1.87 -1.10 116.42 119.78 1yrt h ASP 217 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1yrt h ASP 217 Cb 0.75 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1yrt h ASP 217 CO -0.27 0.04 -0.29 0.22 -1.72 0.00 0.00 179.24 177.22 1yrt h TYR 218 N 0.00 1.13 0.13 4.55 3.20 -0.19 -2.00 116.97 123.80 1yrt h TYR 218 Ca -0.00 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.56 1yrt h TYR 218 Cb 0.07 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1yrt h TYR 218 CO 0.00 1.14 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.52 1yrt h LEU 219 N 0.81 -0.15 -0.75 2.82 3.38 -0.92 -1.07 115.31 119.42 1yrt h LEU 219 Ca 0.09 -0.39 0.16 0.00 0.09 0.00 0.00 57.88 57.83 1yrt h LEU 219 Cb 0.88 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 1yrt h LEU 219 CO 0.08 0.37 0.22 0.00 0.09 0.00 0.00 178.44 179.20 1yrt h ALA 220 N -0.06 1.01 -0.00 1.53 0.00 -1.27 1.02 119.26 121.50 1yrt h ALA 220 Ca -0.02 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1yrt h ALA 220 Cb 0.53 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1yrt h ALA 220 CO 0.03 -0.31 -0.76 -0.09 0.00 0.00 0.00 179.25 178.12 1yrt h ARG 221 N 0.32 0.01 0.00 0.00 2.43 -1.37 -3.36 114.38 112.40 1yrt h ARG 221 Ca 0.42 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1yrt h ARG 221 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1yrt h ARG 221 CO -0.48 0.77 -0.61 0.25 -1.51 0.00 0.00 179.97 178.38 1yrt n THR 222 N -3.63 0.00 0.00 0.20 -2.24 -0.41 -5.01 114.28 103.19 1yrt n THR 222 Ca -0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1yrt n THR 222 Cb 0.74 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1yrt n THR 222 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1yrt n ARG 223 N -1.33 2.10 -3.51 -0.78 3.00 0.35 -5.04 116.66 111.45 1yrt n ARG 223 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.80 1yrt n ARG 223 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.64 1yrt n ARG 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1yrt n ARG 224 N 0.00 0.86 -2.68 -0.14 1.74 -1.26 -4.98 116.66 110.20 1yrt n ARG 224 Ca 0.00 -1.75 -0.42 0.00 -0.77 0.00 0.00 57.85 54.91 1yrt n ARG 224 Cb 0.00 2.24 -0.03 0.00 -1.02 0.00 0.00 32.46 33.65 1yrt n ARG 224 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yrt s ALA 225 N -1.95 2.91 0.00 7.54 0.00 -1.26 -5.01 121.76 123.99 1yrt s ALA 225 Ca 0.16 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1yrt s ALA 225 Cb -0.04 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1yrt s ALA 225 CO 0.09 -3.11 0.00 1.28 0.00 0.00 0.00 175.76 174.02 1yrt n LEU 233 N 8.61 0.00 -3.05 0.00 4.77 -1.26 -5.25 117.00 120.83 1yrt n LEU 233 Ca 0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1yrt n LEU 233 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1yrt n LEU 233 CO 0.67 0.00 -0.46 -0.67 -1.33 0.00 0.00 177.39 175.60 1yrt n ASP 234 N 7.64 -7.03 -0.13 -1.43 -0.08 -1.26 -5.02 116.55 109.24 1yrt n ASP 234 Ca 0.00 0.71 -0.12 0.00 -1.51 0.00 0.00 54.79 53.87 1yrt n ASP 234 Cb 0.00 -2.96 -0.02 0.00 2.34 0.00 0.00 41.12 40.47 1yrt n ASP 234 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1yrt h ARG 235 N 3.25 0.79 -0.39 -0.67 3.08 -2.05 -3.07 114.38 115.33 1yrt h ARG 235 Ca -0.04 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.61 1yrt h ARG 235 Cb 0.70 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1yrt h ARG 235 CO 0.06 0.97 -0.01 0.93 -1.07 0.00 0.00 179.97 180.84 1yrt h GLU 236 N 0.59 0.63 0.05 0.04 5.08 -1.99 -2.30 114.58 116.68 1yrt h GLU 236 Ca 0.09 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1yrt h GLU 236 Cb 0.73 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1yrt h GLU 236 CO 0.05 0.65 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.61 1yrt h ARG 237 N 0.59 -0.06 -0.27 2.33 2.43 -1.97 -0.86 114.38 116.58 1yrt h ARG 237 Ca 0.12 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1yrt h ARG 237 Cb 0.39 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1yrt h ARG 237 CO 0.02 0.23 0.08 0.82 -1.51 0.00 0.00 179.97 179.60 1yrt h ILE 238 N -0.35 1.12 -0.36 1.20 2.04 -1.49 0.95 117.51 120.62 1yrt h ILE 238 Ca -0.01 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 1yrt h ILE 238 Cb 0.31 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1yrt h ILE 238 CO 0.01 0.15 -0.33 -0.78 0.00 0.00 0.00 178.15 177.20 1yrt h ASP 239 N 0.37 0.84 -0.14 1.72 3.58 -1.13 -1.04 116.42 120.62 1yrt h ASP 239 Ca 0.09 -0.35 -0.12 0.00 0.42 0.00 0.00 57.03 57.07 1yrt h ASP 239 Cb 0.12 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1yrt h ASP 239 CO -0.01 1.09 -0.32 0.25 -2.88 0.00 0.00 179.24 177.37 1yrt h LEU 240 N 0.67 0.65 -0.59 2.28 5.85 -0.11 -1.56 115.31 122.50 1yrt h LEU 240 Ca 0.07 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1yrt h LEU 240 Cb 0.88 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1yrt h LEU 240 CO 0.08 0.93 0.23 -0.07 -0.34 0.00 0.00 178.44 179.27 1yrt h LEU 241 N 0.54 0.83 -1.49 2.25 3.38 -0.61 0.13 115.31 120.34 1yrt h LEU 241 Ca 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1yrt h LEU 241 Cb 0.82 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1yrt h LEU 241 CO 0.07 0.78 -0.17 -0.50 0.09 0.00 0.00 178.44 178.70 1yrt h TRP 242 N 0.83 0.12 -0.20 1.13 4.06 -0.95 -0.92 115.95 120.02 1yrt h TRP 242 Ca 0.20 -0.01 -0.13 0.00 2.06 0.00 0.00 58.89 61.01 1yrt h TRP 242 Cb 0.22 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1yrt h TRP 242 CO 0.01 0.28 -0.42 0.87 -3.56 0.00 0.00 178.44 175.63 1yrt h LYS 243 N 0.11 0.47 0.00 0.49 1.57 -0.14 -1.03 116.57 118.04 1yrt h LYS 243 Ca 0.02 -0.24 -0.23 0.00 -1.87 0.00 0.00 60.65 58.33 1yrt h LYS 243 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1yrt h LYS 243 CO 0.02 0.81 -0.96 -0.84 -0.57 0.00 0.00 179.45 177.91 1yrt h ILE 244 N 0.39 1.40 -0.33 1.86 -0.00 -0.15 -1.94 117.51 118.74 1yrt h ILE 244 Ca 0.03 -2.45 0.03 0.00 -0.00 0.00 0.00 64.86 62.47 1yrt h ILE 244 Cb 0.89 2.43 -0.03 0.00 -0.00 0.00 0.00 36.82 40.11 1yrt h ILE 244 CO 0.08 0.73 0.14 0.00 -0.00 0.00 0.00 178.15 179.10 1yrt h ALA 245 N 0.72 0.39 -0.11 0.16 0.00 -0.96 0.72 119.26 120.17 1yrt h ALA 245 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yrt h ALA 245 Cb 1.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1yrt h ALA 245 CO 0.17 -0.25 0.07 -0.09 0.00 0.00 0.00 179.25 179.15 1yrt h ARG 246 N 0.30 0.15 -0.31 0.00 2.43 -1.18 -1.42 114.38 114.33 1yrt h ARG 246 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1yrt h ARG 246 Cb 0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1yrt h ARG 246 CO -0.12 0.11 0.17 0.00 -1.51 0.00 0.00 179.97 178.62 1yrt h ALA 247 N 1.03 0.40 -0.90 2.80 0.00 -1.03 -1.57 119.26 119.99 1yrt h ALA 247 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yrt h ALA 247 Cb -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1yrt h ALA 247 CO -0.01 -0.07 0.58 0.78 0.00 0.00 0.00 179.25 180.54 1yrt h GLY 248 N 0.39 1.28 0.95 0.00 0.00 -0.60 -0.90 103.07 104.19 1yrt h GLY 248 Ca 0.11 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1yrt h GLY 248 CO -0.02 0.48 -0.05 0.00 0.00 0.00 0.00 176.54 176.96 1yrt h ALA 249 N 1.41 0.52 -0.27 3.60 0.00 -1.04 0.69 119.26 124.18 1yrt h ALA 249 Ca 0.33 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1yrt h ALA 249 Cb -0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1yrt h ALA 249 CO -0.07 0.34 -0.16 0.00 0.00 0.00 0.00 179.25 179.37 1yrt h ARG 250 N 0.52 0.47 0.08 0.00 3.08 -1.10 -1.95 114.38 115.49 1yrt h ARG 250 Ca 0.10 -0.14 -0.25 0.00 0.07 0.00 0.00 59.98 59.76 1yrt h ARG 250 Cb 0.54 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yrt h ARG 250 CO 0.03 0.62 -1.13 0.66 -1.07 0.00 0.00 179.97 179.08 1yrt h SER 251 N 0.43 0.35 -1.00 7.04 4.64 -0.95 -1.21 113.55 122.85 1yrt h SER 251 Ca 0.08 -0.36 0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1yrt h SER 251 Cb 0.53 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.44 1yrt h SER 251 CO 0.03 1.25 0.64 0.00 -0.87 0.00 0.00 176.83 177.88 1yrt h ALA 252 N 0.71 1.40 -0.39 5.18 0.00 -0.44 -1.57 119.26 124.14 1yrt h ALA 252 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1yrt h ALA 252 Cb 1.84 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1yrt h ALA 252 CO 0.18 0.42 0.00 0.28 0.00 0.00 0.00 179.25 180.13 1yrt n VAL 253 N -4.52 0.53 -3.83 0.00 0.31 -0.77 -4.96 118.33 105.09 1yrt n VAL 253 Ca 0.16 -0.77 -0.27 0.00 -0.01 0.00 0.00 64.34 63.45 1yrt n VAL 253 Cb 0.20 0.96 0.03 0.00 -0.91 0.00 0.00 33.84 34.12 1yrt n VAL 253 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yrt n GLY 254 N 1.43 -0.42 0.31 2.92 0.00 -0.59 -4.89 105.19 103.95 1yrt n GLY 254 Ca 0.19 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.32 1yrt n GLY 254 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yrt h THR 255 N -2.03 0.26 0.04 2.61 2.02 -1.55 -1.01 112.91 113.24 1yrt h THR 255 Ca -0.59 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.33 1yrt h THR 255 Cb 1.37 0.26 0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1yrt h THR 255 CO 0.63 0.00 -1.08 -0.33 0.37 0.00 0.00 175.52 175.11 1yrt h GLU 256 N -0.18 0.56 -0.32 6.66 5.08 -1.91 -3.21 114.58 121.26 1yrt h GLU 256 Ca 0.21 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1yrt h GLU 256 Cb 0.52 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1yrt h GLU 256 CO -0.58 1.26 0.20 0.00 -1.00 0.00 0.00 179.01 178.89 1yrt h ALA 257 N 0.50 1.75 -0.02 3.43 0.00 -1.81 -2.16 119.26 120.96 1yrt h ALA 257 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yrt h ALA 257 Cb 1.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1yrt h ALA 257 CO 0.20 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.21 1yrt n ARG 258 N -4.48 1.08 0.00 0.00 1.74 -0.42 -2.72 116.66 111.86 1yrt n ARG 258 Ca 0.02 -0.12 0.14 0.00 -0.77 0.00 0.00 57.85 57.12 1yrt n ARG 258 Cb 0.07 -1.26 0.51 0.00 -1.02 0.00 0.00 32.46 30.76 1yrt n ARG 258 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yrt n ARG 259 N -0.64 1.14 -4.44 5.56 1.74 -0.81 -4.93 116.66 114.28 1yrt n ARG 259 Ca 0.12 -0.60 -0.24 0.00 -0.77 0.00 0.00 57.85 56.36 1yrt n ARG 259 Cb 0.08 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 1yrt n ARG 259 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1yrt s GLN 260 N -2.28 1.93 0.07 5.56 -2.07 -1.10 -5.15 119.66 116.63 1yrt s GLN 260 Ca 0.32 -2.17 0.03 0.00 -1.82 0.00 0.00 55.36 51.71 1yrt s GLN 260 Cb 0.20 -0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 31.84 1yrt s GLN 260 CO 0.43 -0.59 0.07 -0.06 -1.32 0.00 0.00 175.29 173.82 1yrt s PHE 261 N -3.25 3.17 0.14 9.60 0.40 -1.26 -4.51 117.98 122.28 1yrt s PHE 261 Ca 0.28 0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.75 1yrt s PHE 261 Cb 0.01 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 1yrt s PHE 261 CO 0.20 0.52 0.03 1.03 0.70 0.00 0.00 175.22 177.70 1yrt s ARG 262 N -2.33 2.56 0.10 0.44 1.81 -0.29 -4.99 118.95 116.23 1yrt s ARG 262 Ca 0.28 -0.97 0.06 0.00 -1.72 0.00 0.00 55.73 53.39 1yrt s ARG 262 Cb -0.12 -2.48 -0.03 0.00 -0.45 0.00 0.00 34.95 31.87 1yrt s ARG 262 CO 0.21 0.49 -0.16 0.71 -0.68 0.00 0.00 175.30 175.87 1yrt s TYR 263 N -1.59 1.42 -0.31 -0.53 1.51 -1.26 -0.20 117.35 116.38 1yrt s TYR 263 Ca 0.28 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 1yrt s TYR 263 Cb -0.10 -0.77 0.08 0.00 -0.11 0.00 0.00 41.96 41.06 1yrt s TYR 263 CO 0.19 0.13 -0.00 0.34 -1.11 0.00 0.00 175.55 175.10 1yrt s ASP 264 N -2.04 4.70 1.89 2.29 3.68 0.10 -4.89 116.67 122.40 1yrt s ASP 264 Ca 0.04 -1.80 0.00 0.00 2.13 0.00 0.00 52.55 52.92 1yrt s ASP 264 Cb -0.08 -1.62 0.00 0.00 -1.45 0.00 0.00 42.92 39.77 1yrt s ASP 264 CO 0.03 -0.31 0.00 0.61 0.13 0.00 0.00 175.17 175.63 1yrt n GLY 265 N 4.37 3.61 1.15 2.66 0.00 -1.26 -0.40 105.19 115.32 1yrt n GLY 265 Ca -0.04 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1yrt n GLY 265 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yrt n ASP 266 N 6.71 3.35 -4.65 1.61 5.68 -1.26 -4.90 116.55 123.09 1yrt n ASP 266 Ca 0.00 -1.99 -0.37 0.00 -0.50 0.00 0.00 54.79 51.93 1yrt n ASP 266 Cb 0.00 -0.40 -0.10 0.00 -1.14 0.00 0.00 41.12 39.48 1yrt n ASP 266 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1yrt s MET 267 N -1.20 4.06 -0.12 0.11 1.75 0.46 -5.05 119.30 119.32 1yrt s MET 267 Ca 0.42 -0.22 -0.29 0.00 -1.25 0.00 0.00 55.69 54.35 1yrt s MET 267 Cb 0.22 -3.56 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 1yrt s MET 267 CO 0.29 -0.00 1.56 1.21 -0.65 0.00 0.00 175.02 177.43 1yrt s ASN 268 N 1.20 6.66 0.00 1.11 3.84 -1.26 0.01 114.94 126.49 1yrt s ASN 268 Ca 0.09 1.98 0.23 0.00 0.21 0.00 0.00 52.86 55.36 1yrt s ASN 268 Cb -0.14 -2.53 0.50 0.00 -0.55 0.00 0.00 41.25 38.53 1yrt s ASN 268 CO 0.06 -0.97 1.45 -0.38 -2.79 0.00 0.00 177.10 174.47 1yrt n ILE 269 N 5.67 0.60 -3.75 -5.21 2.08 0.72 -4.44 119.36 115.02 1yrt n ILE 269 Ca 0.17 -0.77 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1yrt n ILE 269 Cb 0.44 0.79 0.00 0.00 -0.75 0.00 0.00 39.64 40.12 1yrt n ILE 269 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1yrt n GLY 270 N 1.51 -1.44 3.64 7.39 0.00 -1.23 -1.64 105.19 113.43 1yrt n GLY 270 Ca 0.20 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 1yrt n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yrt s VAL 271 N 0.00 5.19 -0.19 1.61 1.01 -1.26 -1.14 120.40 125.61 1yrt s VAL 271 Ca 0.00 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 1yrt s VAL 271 Cb 0.00 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.72 1yrt s VAL 271 CO 0.00 0.21 0.50 -0.51 0.00 0.00 0.00 175.10 175.30 1yrt s ILE 272 N 1.63 -0.00 0.70 2.22 2.07 -1.26 -4.40 121.20 122.16 1yrt s ILE 272 Ca 0.17 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.31 1yrt s ILE 272 Cb -0.15 -0.70 0.01 0.00 0.13 0.00 0.00 42.46 41.75 1yrt s ILE 272 CO 0.08 0.00 1.08 0.42 -1.91 0.00 0.00 174.94 174.62 1yrt s THR 273 N 0.42 3.73 0.15 4.00 -4.23 -1.26 -4.55 115.64 113.89 1yrt s THR 273 Ca -0.01 0.56 -0.19 0.00 -1.18 0.00 0.00 61.69 60.87 1yrt s THR 273 Cb -0.04 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.35 1yrt s THR 273 CO -0.01 -0.73 1.68 0.44 -0.54 0.00 0.00 174.62 175.46 1yrt h ASP 274 N -0.67 -0.29 -0.96 3.99 3.32 -1.93 -1.33 116.42 118.54 1yrt h ASP 274 Ca -0.45 0.09 0.02 0.00 0.02 0.00 0.00 57.03 56.71 1yrt h ASP 274 Cb 1.24 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 1yrt h ASP 274 CO 0.62 -0.11 0.63 0.15 -1.72 0.00 0.00 179.24 178.82 1yrt h PHE 275 N -0.01 1.20 0.00 4.55 3.57 -1.93 -1.22 116.94 123.10 1yrt h PHE 275 Ca 0.14 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1yrt h PHE 275 Cb 0.23 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1yrt h PHE 275 CO -0.29 0.74 -0.21 0.93 -2.23 0.00 0.00 178.31 177.25 1yrt h GLU 276 N 1.28 0.00 -0.14 1.11 5.08 -1.66 -1.08 114.58 119.17 1yrt h GLU 276 Ca 0.36 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.58 1yrt h GLU 276 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1yrt h GLU 276 CO -0.09 0.21 -0.46 1.25 -1.00 0.00 0.00 179.01 178.92 1yrt h LEU 277 N 0.00 0.64 -0.29 1.33 5.85 -0.71 -1.17 115.31 120.97 1yrt h LEU 277 Ca -0.00 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.16 1yrt h LEU 277 Cb 0.46 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1yrt h LEU 277 CO 0.03 1.14 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.93 1yrt h GLU 278 N 0.19 0.08 -0.47 1.25 5.08 -0.68 0.15 114.58 120.18 1yrt h GLU 278 Ca -0.02 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1yrt h GLU 278 Cb 1.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1yrt h GLU 278 CO 0.10 0.05 0.31 0.28 -1.00 0.00 0.00 179.01 178.75 1yrt h VAL 279 N 0.08 1.11 -0.22 3.13 2.07 -1.10 0.46 116.25 121.79 1yrt h VAL 279 Ca 0.14 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1yrt h VAL 279 Cb 0.19 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1yrt h VAL 279 CO -0.24 0.11 -0.09 -0.09 0.02 0.00 0.00 177.57 177.28 1yrt h ARG 280 N 0.62 -0.06 -0.55 1.57 2.43 -0.68 0.41 114.38 118.12 1yrt h ARG 280 Ca 0.18 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1yrt h ARG 280 Cb -0.06 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1yrt h ARG 280 CO -0.05 -0.04 0.25 -0.91 -1.51 0.00 0.00 179.97 177.71 1yrt h ASN 281 N -0.06 0.73 -0.74 -3.80 2.35 0.03 -0.57 115.58 113.52 1yrt h ASN 281 Ca 0.11 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1yrt h ASN 281 Cb 0.24 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1yrt h ASN 281 CO -0.26 0.68 0.25 0.00 -1.65 0.00 0.00 177.43 176.44 1yrt h ALA 282 N 1.09 0.96 -0.26 -0.83 0.00 0.42 -1.31 119.26 119.34 1yrt h ALA 282 Ca 0.19 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1yrt h ALA 282 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1yrt h ALA 282 CO -0.02 0.63 0.02 -0.07 0.00 0.00 0.00 179.25 179.81 1yrt h LEU 283 N 1.08 0.43 -1.79 0.00 3.38 -0.57 -1.98 115.31 115.87 1yrt h LEU 283 Ca 0.24 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1yrt h LEU 283 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1yrt h LEU 283 CO -0.01 0.61 0.09 0.78 0.09 0.00 0.00 178.44 180.00 1yrt h ASN 284 N 0.24 0.20 -0.07 -0.43 2.35 -1.02 -0.59 115.58 116.26 1yrt h ASN 284 Ca 0.08 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1yrt h ASN 284 Cb 0.38 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1yrt h ASN 284 CO 0.01 0.17 0.00 -0.09 -1.65 0.00 0.00 177.43 175.87 1yrt h ARG 285 N 0.24 0.12 0.00 0.81 1.12 -0.93 -1.56 114.38 114.18 1yrt h ARG 285 Ca 0.06 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 1yrt h ARG 285 Cb 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 1yrt h ARG 285 CO -0.01 0.39 -0.18 0.00 -3.11 0.00 0.00 179.97 177.06 1yrt h ARG 286 N -0.16 0.00 -0.37 0.20 2.47 -0.62 -2.31 114.38 113.60 1yrt h ARG 286 Ca 0.02 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.59 1yrt h ARG 286 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 1yrt h ARG 286 CO 0.00 0.18 -0.37 0.00 0.56 0.00 0.00 179.97 180.34 1yrt h ALA 287 N 1.82 0.65 -0.55 0.04 0.00 -0.69 -2.55 119.26 117.99 1yrt h ALA 287 Ca -0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1yrt h ALA 287 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1yrt h ALA 287 CO 0.02 0.67 0.07 0.45 0.00 0.00 0.00 179.25 180.46 1yrt h HIS 288 N 0.71 0.94 0.00 0.00 3.86 -0.76 -0.12 115.15 119.78 1yrt h HIS 288 Ca 0.06 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1yrt h HIS 288 Cb 0.94 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 1yrt h HIS 288 CO 0.06 0.82 -0.00 0.00 0.86 0.00 0.00 177.93 179.66 1yrt h ALA 289 N 1.23 1.08 -3.00 2.45 0.00 -1.02 -3.38 119.26 116.62 1yrt h ALA 289 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yrt h ALA 289 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1yrt h ALA 289 CO 0.01 0.00 0.00 1.55 0.00 0.00 0.00 179.25 180.81 1yrt n VAL 290 N -3.20 0.00 -1.31 0.00 3.14 -0.63 -4.96 118.33 111.37 1yrt n VAL 290 Ca -0.03 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.10 1yrt n VAL 290 Cb 0.08 -0.66 0.15 0.00 -1.06 0.00 0.00 33.84 32.35 1yrt n VAL 290 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1yrt n GLY 291 N 5.00 4.97 3.95 7.55 0.00 -1.25 -4.96 105.19 120.45 1yrt n GLY 291 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 1yrt n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yrt s ALA 292 N -3.44 3.78 0.85 4.61 0.00 -0.15 -3.92 121.76 123.49 1yrt s ALA 292 Ca 0.57 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 1yrt s ALA 292 Cb 0.48 -2.07 0.17 0.00 0.00 0.00 0.00 23.12 21.70 1yrt s ALA 292 CO 0.06 -0.19 1.17 -0.65 0.00 0.00 0.00 175.76 176.15 1yrt s GLN 293 N -4.41 1.09 0.25 0.00 -1.52 -1.26 -3.40 119.66 110.41 1yrt s GLN 293 Ca 0.44 -0.83 -0.31 0.00 -1.95 0.00 0.00 55.36 52.72 1yrt s GLN 293 Cb -0.10 -2.09 -0.14 0.00 -0.22 0.00 0.00 33.01 30.46 1yrt s GLN 293 CO 0.36 -1.97 1.30 -0.25 -0.25 0.00 0.00 175.29 174.48 1yrt n ASP 294 N -3.31 2.37 -0.00 5.90 8.00 -1.26 -4.65 116.55 123.59 1yrt n ASP 294 Ca 0.16 1.16 0.02 0.00 0.71 0.00 0.00 54.79 56.84 1yrt n ASP 294 Cb 0.60 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.28 1yrt n ASP 294 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1yrt n VAL 295 N 1.38 0.00 -3.85 2.53 0.24 -1.26 -4.13 118.33 113.24 1yrt n VAL 295 Ca 0.11 -0.10 -0.36 0.00 -2.04 0.00 0.00 64.34 61.95 1yrt n VAL 295 Cb 0.31 0.42 -0.13 0.00 -1.47 0.00 0.00 33.84 32.97 1yrt n VAL 295 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1yrt s VAL 296 N -2.27 3.53 -1.55 3.34 1.01 -1.26 0.59 120.40 123.78 1yrt s VAL 296 Ca -0.01 -0.72 0.13 0.00 0.00 0.00 0.00 61.98 61.38 1yrt s VAL 296 Cb 0.03 -2.76 0.17 0.00 0.00 0.00 0.00 36.38 33.82 1yrt s VAL 296 CO 0.17 0.20 1.01 0.00 0.00 0.00 0.00 175.10 176.49 1yrt n GLN 297 N 4.79 1.32 -3.64 2.72 1.13 -1.26 -4.96 117.38 117.48 1yrt n GLN 297 Ca -0.16 -1.50 -0.03 0.00 -1.94 0.00 0.00 57.00 53.37 1yrt n GLN 297 Cb 0.48 -1.27 0.02 0.00 0.11 0.00 0.00 30.24 29.58 1yrt n GLN 297 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1yrt n HIS 298 N 0.75 -1.32 -0.66 1.08 1.44 -1.26 -4.60 115.22 110.64 1yrt n HIS 298 Ca 0.09 -1.18 -0.13 0.00 -2.01 0.00 0.00 57.72 54.50 1yrt n HIS 298 Cb 0.37 0.57 0.11 0.00 0.12 0.00 0.00 29.99 31.16 1yrt n HIS 298 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yrt n GLY 299 N -0.65 -2.73 3.85 -1.39 0.00 -0.65 -4.85 105.19 98.77 1yrt n GLY 299 Ca -0.02 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1yrt n GLY 299 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yrt s THR 300 N -1.82 4.61 -0.62 2.61 2.01 -1.26 -4.60 115.64 116.56 1yrt s THR 300 Ca 0.31 1.06 0.11 0.00 0.31 0.00 0.00 61.69 63.48 1yrt s THR 300 Cb -0.03 -3.77 0.11 0.00 0.01 0.00 0.00 72.50 68.82 1yrt s THR 300 CO 0.24 -0.83 1.35 1.21 -0.69 0.00 0.00 174.62 175.89 1yrt n GLU 301 N -1.94 0.07 0.00 4.92 4.07 -0.06 -1.18 120.64 126.52 1yrt n GLU 301 Ca 0.06 0.55 0.12 0.00 -0.06 0.00 0.00 57.16 57.82 1yrt n GLU 301 Cb 0.54 -1.72 0.57 0.00 -0.06 0.00 0.00 31.44 30.77 1yrt n GLU 301 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1yrt n GLN 302 N -1.87 0.21 -0.14 5.31 1.13 -1.21 -2.47 117.38 118.34 1yrt n GLN 302 Ca -0.00 0.07 0.08 0.00 -1.94 0.00 0.00 57.00 55.21 1yrt n GLN 302 Cb 0.03 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.00 1yrt n GLN 302 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1yrt n ASN 303 N -1.37 1.95 -4.67 1.08 3.02 -0.32 -3.64 115.26 111.30 1yrt n ASN 303 Ca 0.09 -2.90 -0.40 0.00 -0.03 0.00 0.00 54.58 51.35 1yrt n ASN 303 Cb 0.23 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 1yrt n ASN 303 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1yrt s ASN 304 N -2.55 6.74 0.00 6.41 3.04 -1.03 -4.80 114.94 122.75 1yrt s ASN 304 Ca 0.26 0.89 0.21 0.00 0.04 0.00 0.00 52.86 54.26 1yrt s ASN 304 Cb 0.23 -2.36 0.88 0.00 -1.54 0.00 0.00 41.25 38.47 1yrt s ASN 304 CO 0.02 -0.24 1.66 -0.81 -3.04 0.00 0.00 177.10 174.70 1yrt n PRO 305 N 4.77 0.01 -3.42 0.43 -0.04 -1.26 -3.61 135.00 131.89 1yrt n PRO 305 Ca -0.02 0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 1yrt n PRO 305 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1yrt n PRO 305 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1yrt n PHE 306 N -1.50 3.13 -2.10 0.54 3.01 -1.26 -5.09 117.46 114.19 1yrt n PHE 306 Ca 0.05 -4.09 -0.41 0.00 1.01 0.00 0.00 57.45 54.01 1yrt n PHE 306 Cb 0.24 -0.53 -0.02 0.00 -0.01 0.00 0.00 39.48 39.16 1yrt n PHE 306 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1yrt s PRO 307 N -2.26 4.34 0.77 -1.08 0.04 -1.24 -5.02 135.00 130.55 1yrt s PRO 307 Ca 0.39 2.22 -0.09 0.00 0.04 0.00 0.00 61.00 63.56 1yrt s PRO 307 Cb 0.14 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 31.70 1yrt s PRO 307 CO -0.03 -0.24 1.10 -1.21 0.04 0.00 0.00 177.00 176.66 1yrt s GLU 308 N -1.43 1.79 -0.36 4.56 0.41 -1.26 -5.01 118.70 117.39 1yrt s GLU 308 Ca 0.51 -0.33 0.12 0.00 -0.41 0.00 0.00 54.97 54.86 1yrt s GLU 308 Cb -0.40 -2.09 0.45 0.00 -1.78 0.00 0.00 34.13 30.31 1yrt s GLU 308 CO 0.50 -1.55 1.04 0.00 -0.49 0.00 0.00 175.26 174.77 1yrt n ALA 309 N -3.14 4.15 -2.19 5.21 0.00 -1.26 -5.05 120.51 118.23 1yrt n ALA 309 Ca 0.10 -3.64 -0.35 0.00 0.00 0.00 0.00 53.44 49.55 1yrt n ALA 309 Cb 0.60 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 1yrt n ALA 309 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1yrt s ASP 310 N -3.38 5.53 0.00 0.00 1.47 -1.26 -4.92 116.67 114.12 1yrt s ASP 310 Ca 0.37 -0.44 0.00 0.00 1.18 0.00 0.00 52.55 53.67 1yrt s ASP 310 Cb 0.42 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 40.45 1yrt s ASP 310 CO -0.06 -2.31 0.85 -1.84 0.68 0.00 0.00 175.17 172.49 1yrt n GLU 311 N 9.04 0.00 -4.62 2.11 0.28 -1.26 -4.50 120.64 121.68 1yrt n GLU 311 Ca 0.28 0.36 -0.24 0.00 -0.16 0.00 0.00 57.16 57.39 1yrt n GLU 311 Cb 0.50 -1.61 -0.16 0.00 1.43 0.00 0.00 31.44 31.59 1yrt n GLU 311 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1yrt s LYS 312 N -2.70 1.55 -0.03 3.44 2.47 -1.26 -3.89 119.74 119.32 1yrt s LYS 312 Ca 0.00 -0.45 0.07 0.00 -1.56 0.00 0.00 55.97 54.02 1yrt s LYS 312 Cb 0.00 -1.33 -0.01 0.00 -1.46 0.00 0.00 37.83 35.02 1yrt s LYS 312 CO 0.00 0.12 -0.24 0.42 0.16 0.00 0.00 175.35 175.81 1yrt s ILE 313 N 0.34 1.95 -0.26 5.43 1.09 -0.25 -4.54 121.20 124.95 1yrt s ILE 313 Ca -0.08 -1.03 -0.16 0.00 -1.10 0.00 0.00 60.65 58.28 1yrt s ILE 313 Cb -0.13 -1.63 -0.03 0.00 -1.06 0.00 0.00 42.46 39.61 1yrt s ILE 313 CO 0.02 0.55 0.41 0.12 -0.10 0.00 0.00 174.94 175.95 1yrt s PHE 314 N -0.39 3.27 -0.08 3.97 5.36 -0.23 -1.42 117.98 128.46 1yrt s PHE 314 Ca 0.04 0.49 0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1yrt s PHE 314 Cb -0.11 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 39.95 1yrt s PHE 314 CO 0.01 -0.22 -0.19 0.08 -1.46 0.00 0.00 175.22 173.44 1yrt s VAL 315 N 2.05 2.57 -0.23 3.12 1.01 -0.06 -0.35 120.40 128.51 1yrt s VAL 315 Ca 0.17 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1yrt s VAL 315 Cb -0.16 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1yrt s VAL 315 CO 0.09 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.94 1yrt s VAL 316 N -0.11 2.38 0.91 2.92 1.01 0.08 -1.51 120.40 126.08 1yrt s VAL 316 Ca -0.04 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 1yrt s VAL 316 Cb -0.14 -2.21 0.14 0.00 0.00 0.00 0.00 36.38 34.17 1yrt s VAL 316 CO 0.04 0.23 1.09 -0.44 0.00 0.00 0.00 175.10 176.02 1yrt s SER 317 N 1.24 3.31 0.45 3.32 0.01 0.33 -0.56 113.70 121.80 1yrt s SER 317 Ca -0.01 1.56 0.31 0.00 1.31 0.00 0.00 55.95 59.12 1yrt s SER 317 Cb -0.17 -2.23 1.53 0.00 0.21 0.00 0.00 66.02 65.36 1yrt s SER 317 CO -0.07 -2.75 1.93 0.00 0.41 0.00 0.00 173.24 172.76 1yrt h ALA 318 N -1.63 1.00 -0.01 1.44 0.00 -1.82 0.11 119.26 118.36 1yrt h ALA 318 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yrt h ALA 318 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yrt h ALA 318 CO 0.53 0.00 -0.28 0.25 0.00 0.00 0.00 179.25 179.75 1yrt n THR 319 N -2.64 0.00 0.00 0.00 -2.24 -1.26 -3.77 114.28 104.37 1yrt n THR 319 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1yrt n THR 319 Cb 0.13 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1yrt n THR 319 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yrt n GLY 320 N 1.35 0.87 3.77 3.38 0.00 0.40 -4.97 105.19 109.99 1yrt n GLY 320 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1yrt n GLY 320 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yrt s GLU 321 N -0.76 4.45 0.23 1.61 2.02 -1.26 -4.73 118.70 120.27 1yrt s GLU 321 Ca 0.00 1.65 0.08 0.00 0.02 0.00 0.00 54.97 56.72 1yrt s GLU 321 Cb 0.00 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.27 1yrt s GLU 321 CO 0.00 0.08 -0.14 -1.54 0.02 0.00 0.00 175.26 173.69 1yrt s SER 322 N -1.20 2.76 -0.02 -0.19 1.04 -1.26 -0.51 113.70 114.32 1yrt s SER 322 Ca 0.50 -1.05 -0.30 0.00 0.48 0.00 0.00 55.95 55.57 1yrt s SER 322 Cb -0.27 -0.17 0.12 0.00 0.10 0.00 0.00 66.02 65.80 1yrt s SER 322 CO 0.34 -0.17 1.25 0.00 0.98 0.00 0.00 173.24 175.64 1yrt s GLN 323 N -3.64 0.46 -0.11 4.02 -2.07 -0.57 -4.93 119.66 112.81 1yrt s GLN 323 Ca 0.25 -0.25 -0.03 0.00 -1.82 0.00 0.00 55.36 53.52 1yrt s GLN 323 Cb -0.00 0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 1yrt s GLN 323 CO 0.09 -0.21 0.00 -1.64 -1.32 0.00 0.00 175.29 172.21 1yrt s MET 324 N -2.50 3.21 0.02 9.60 -1.94 -1.26 -0.88 119.30 125.54 1yrt s MET 324 Ca 0.13 -0.42 0.08 0.00 -1.71 0.00 0.00 55.69 53.77 1yrt s MET 324 Cb 0.04 -2.86 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 1yrt s MET 324 CO -0.03 0.58 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.81 1yrt s LEU 325 N -0.54 2.12 0.00 -0.03 1.43 -0.51 -4.95 118.68 116.20 1yrt s LEU 325 Ca 0.09 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1yrt s LEU 325 Cb -0.12 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.04 1yrt s LEU 325 CO 0.02 0.23 0.37 0.35 0.23 0.00 0.00 176.35 177.55 1yrt n THR 326 N 2.08 0.00 0.95 5.49 -2.24 -1.26 -1.09 114.28 118.21 1yrt n THR 326 Ca -0.16 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.47 1yrt n THR 326 Cb 0.52 -1.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.05 1yrt n THR 326 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1yrt n ARG 327 N -1.98 0.96 0.08 -0.78 0.63 -1.25 -2.48 116.66 111.84 1yrt n ARG 327 Ca 0.05 -0.64 -0.21 0.00 -0.92 0.00 0.00 57.85 56.12 1yrt n ARG 327 Cb 0.17 -1.45 -0.12 0.00 0.45 0.00 0.00 32.46 31.51 1yrt n ARG 327 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1yrt h GLY 328 N 4.67 0.70 2.00 5.14 0.00 -1.93 -1.87 103.07 111.78 1yrt h GLY 328 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 47.33 45.82 1yrt h GLY 328 CO 0.00 1.24 -0.51 1.46 0.00 0.00 0.00 176.54 178.73 1yrt h GLN 329 N 0.29 0.00 -0.67 4.80 4.20 -1.92 -3.10 115.11 118.71 1yrt h GLN 329 Ca -0.17 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 1yrt h GLN 329 Cb 1.87 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.62 1yrt h GLN 329 CO 0.23 0.51 0.24 1.25 -0.67 0.00 0.00 178.83 180.39 1yrt h LEU 330 N 0.00 0.91 -0.55 1.46 5.85 -1.17 0.12 115.31 121.94 1yrt h LEU 330 Ca -0.01 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1yrt h LEU 330 Cb 1.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1yrt h LEU 330 CO 0.07 0.83 0.25 0.11 -0.34 0.00 0.00 178.44 179.36 1yrt h LYS 331 N 0.97 0.80 -0.33 1.25 1.57 -1.27 0.28 116.57 119.83 1yrt h LYS 331 Ca 0.22 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1yrt h LYS 331 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1yrt h LYS 331 CO -0.02 0.67 -0.09 0.93 -0.57 0.00 0.00 179.45 180.37 1yrt h GLU 332 N 0.74 0.65 -0.01 3.15 5.08 -1.42 -1.60 114.58 121.17 1yrt h GLU 332 Ca 0.19 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1yrt h GLU 332 Cb 0.15 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1yrt h GLU 332 CO -0.02 0.83 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.76 1yrt h TYR 333 N 0.43 -0.34 -0.93 4.33 3.20 -0.57 -1.25 116.97 121.85 1yrt h TYR 333 Ca 0.08 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.05 1yrt h TYR 333 Cb 0.59 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 1yrt h TYR 333 CO 0.05 -0.20 0.60 0.82 -1.64 0.00 0.00 178.16 177.79 1yrt h ILE 334 N -0.22 1.01 -0.48 1.81 2.04 -0.87 -0.35 117.51 120.45 1yrt h ILE 334 Ca 0.05 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1yrt h ILE 334 Cb 0.28 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1yrt h ILE 334 CO -0.14 0.18 0.17 1.23 0.00 0.00 0.00 178.15 179.59 1yrt h GLY 335 N 0.99 0.79 0.95 5.37 0.00 -0.86 0.22 103.07 110.54 1yrt h GLY 335 Ca 0.42 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1yrt h GLY 335 CO -0.17 0.43 0.17 1.46 0.00 0.00 0.00 176.54 178.42 1yrt h GLN 336 N 0.64 0.55 -0.30 4.80 4.20 -0.64 -2.23 115.11 122.14 1yrt h GLN 336 Ca 0.16 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 1yrt h GLN 336 Cb 0.24 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1yrt h GLN 336 CO -0.01 0.50 -0.18 1.96 -0.67 0.00 0.00 178.83 180.43 1yrt h GLN 337 N 0.47 0.53 -0.23 1.46 1.08 -0.89 -2.04 115.11 115.48 1yrt h GLN 337 Ca 0.13 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1yrt h GLN 337 Cb 0.14 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1yrt h GLN 337 CO -0.01 0.69 -0.04 0.00 -0.95 0.00 0.00 178.83 178.51 1yrt h ARG 338 N 0.48 0.35 0.00 1.46 3.08 -0.68 -0.57 114.38 118.50 1yrt h ARG 338 Ca 0.08 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1yrt h ARG 338 Cb 0.59 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1yrt h ARG 338 CO 0.04 0.42 -0.30 0.78 -1.07 0.00 0.00 179.97 179.83 1yrt h GLY 339 N 0.72 0.00 -0.85 0.04 0.00 -0.76 -2.47 103.07 99.75 1yrt h GLY 339 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1yrt h GLY 339 CO 0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.73 1yrt n GLU 340 N -3.64 1.60 -0.35 4.80 1.02 -0.27 -4.91 120.64 118.89 1yrt n GLU 340 Ca -0.01 -0.93 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 1yrt n GLU 340 Cb 0.42 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1yrt n GLU 340 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yrt n GLY 341 N 0.96 0.77 3.76 0.62 0.00 -0.93 -4.97 105.19 105.40 1yrt n GLY 341 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1yrt n GLY 341 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yrt s TYR 342 N -2.25 3.82 0.04 1.61 1.51 -0.92 -1.30 117.35 119.86 1yrt s TYR 342 Ca 0.00 1.53 -0.19 0.00 -1.01 0.00 0.00 57.07 57.40 1yrt s TYR 342 Cb 0.00 -2.78 -0.06 0.00 -0.11 0.00 0.00 41.96 39.01 1yrt s TYR 342 CO 0.00 0.39 0.55 0.08 -1.11 0.00 0.00 175.55 175.47 1yrt s VAL 343 N -0.58 4.83 -0.01 0.71 1.01 0.36 -3.98 120.40 122.74 1yrt s VAL 343 Ca 0.37 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1yrt s VAL 343 Cb -0.22 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1yrt s VAL 343 CO 0.24 0.51 -0.07 0.12 0.00 0.00 0.00 175.10 175.91 1yrt s PHE 344 N -0.80 0.67 0.04 5.22 5.36 -1.26 -3.80 117.98 123.41 1yrt s PHE 344 Ca 0.29 -0.14 0.05 0.00 -0.96 0.00 0.00 56.93 56.17 1yrt s PHE 344 Cb -0.19 -0.47 -0.02 0.00 -0.34 0.00 0.00 43.02 42.00 1yrt s PHE 344 CO 0.18 -0.05 -0.15 1.52 -1.46 0.00 0.00 175.22 175.26 1yrt s TYR 345 N 0.03 1.30 0.26 10.12 -0.85 -1.26 -5.10 117.35 121.84 1yrt s TYR 345 Ca -0.00 -0.36 0.08 0.00 -0.52 0.00 0.00 57.07 56.27 1yrt s TYR 345 Cb -0.05 -0.77 -0.04 0.00 0.38 0.00 0.00 41.96 41.48 1yrt s TYR 345 CO -0.00 0.05 0.12 -1.83 -1.52 0.00 0.00 175.55 172.37 1yrt s GLU 346 N -1.20 2.69 0.08 -3.49 -1.05 -1.26 -4.98 118.70 109.49 1yrt s GLU 346 Ca 0.02 -1.19 -0.37 0.00 -0.15 0.00 0.00 54.97 53.28 1yrt s GLU 346 Cb -0.08 -2.41 -0.17 0.00 -0.44 0.00 0.00 34.13 31.03 1yrt s GLU 346 CO 0.01 0.39 1.31 -1.71 0.95 0.00 0.00 175.26 176.21 1yrt n ASN 347 N -1.07 1.48 0.21 0.83 2.85 -1.24 -4.81 115.26 113.51 1yrt n ASN 347 Ca -0.07 1.12 0.15 0.00 -0.11 0.00 0.00 54.58 55.67 1yrt n ASN 347 Cb 0.58 -1.17 0.70 0.00 1.24 0.00 0.00 39.78 41.13 1yrt n ASN 347 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1yrt h ARG 348 N 4.35 0.00 0.00 1.20 3.08 -1.93 -2.59 114.38 118.49 1yrt h ARG 348 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1yrt h ARG 348 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1yrt h ARG 348 CO 0.76 0.00 -0.63 0.00 -1.07 0.00 0.00 179.97 179.03 1yrt h ALA 349 N 2.08 0.65 -0.95 0.04 0.00 -1.93 -3.39 119.26 115.76 1yrt h ALA 349 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1yrt h ALA 349 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1yrt h ALA 349 CO 0.00 0.00 0.60 1.88 0.00 0.00 0.00 179.25 181.73 1yrt h TYR 350 N 0.00 1.10 0.14 0.00 0.99 -1.79 -1.28 116.97 116.12 1yrt h TYR 350 Ca 0.00 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1yrt h TYR 350 Cb 0.90 -0.35 -0.02 0.00 1.00 0.00 0.00 36.73 38.25 1yrt h TYR 350 CO 0.00 0.52 -0.18 0.78 -0.00 0.00 0.00 178.16 179.28 1yrt h GLY 351 N 1.04 -0.35 1.21 3.88 0.00 -1.78 0.54 103.07 107.60 1yrt h GLY 351 Ca 0.43 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.93 1yrt h GLY 351 CO -0.21 -0.17 0.26 -2.08 0.00 0.00 0.00 176.54 174.34 1yrt h VAL 352 N -0.37 1.24 0.00 4.60 2.07 -1.75 -0.26 116.25 121.77 1yrt h VAL 352 Ca 0.01 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1yrt h VAL 352 Cb 0.37 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1yrt h VAL 352 CO -0.07 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1yrt n ALA 353 N -2.44 2.33 -3.65 1.67 0.00 -0.51 -4.83 120.51 113.08 1yrt n ALA 353 Ca 0.06 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1yrt n ALA 353 Cb 0.18 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.58 1yrt n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yrt n GLY 354 N 0.37 -0.51 1.19 0.00 0.00 -0.11 -4.90 105.19 101.24 1yrt n GLY 354 Ca 0.05 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.35 1yrt n GLY 354 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yrt n LYS 355 N -4.83 0.59 -1.94 1.61 4.76 0.18 -5.03 118.16 113.50 1yrt n LYS 355 Ca -0.03 -2.49 -0.40 0.00 -2.87 0.00 0.00 58.31 52.52 1yrt n LYS 355 Cb 0.57 -0.60 -0.01 0.00 -1.84 0.00 0.00 35.03 33.16 1yrt n LYS 355 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1yrt s SER 356 N -2.46 6.41 0.00 4.39 0.15 -1.15 -4.78 113.70 116.26 1yrt s SER 356 Ca 0.35 2.85 0.25 0.00 0.70 0.00 0.00 55.95 60.11 1yrt s SER 356 Cb 0.38 -2.66 0.80 0.00 -1.71 0.00 0.00 66.02 62.84 1yrt s SER 356 CO -0.13 -0.80 1.60 0.18 1.20 0.00 0.00 173.24 175.28 1yrt n LEU 357 N 0.42 1.91 -4.86 3.45 4.77 -1.26 -4.92 117.00 116.52 1yrt n LEU 357 Ca 0.02 -0.69 -0.24 0.00 -0.03 0.00 0.00 56.01 55.07 1yrt n LEU 357 Cb 0.41 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1yrt n LEU 357 CO 0.60 0.35 -0.15 -0.36 -1.33 0.00 0.00 177.39 176.50 1yrt s PHE 358 N -1.92 3.24 -0.21 -1.77 0.40 -1.26 -4.86 117.98 111.61 1yrt s PHE 358 Ca 0.35 -0.03 0.18 0.00 -0.60 0.00 0.00 56.93 56.83 1yrt s PHE 358 Cb 0.20 -1.51 0.47 0.00 0.51 0.00 0.00 43.02 42.69 1yrt s PHE 358 CO 0.31 0.51 1.16 -3.47 0.70 0.00 0.00 175.22 174.42 1yrt n ASP 359 N -0.84 2.30 0.00 1.36 2.03 -1.26 -5.06 116.55 115.08 1yrt n ASP 359 Ca -0.08 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.55 1yrt n ASP 359 Cb 0.56 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1yrt n ASP 359 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1yrt n ASP 360 N -0.46 0.09 -0.09 1.67 3.85 -1.26 -5.01 116.55 115.34 1yrt n ASP 360 Ca 0.17 0.00 -0.11 0.00 -0.71 0.00 0.00 54.79 54.15 1yrt n ASP 360 Cb 0.90 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.64 1yrt n ASP 360 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1yrt h GLY 361 N 0.00 0.49 -0.03 6.12 0.00 -2.08 -3.47 103.07 104.10 1yrt h GLY 361 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1yrt h GLY 361 CO 0.00 0.29 -0.01 1.04 0.00 0.00 0.00 176.54 177.86 1yrt n LEU 362 N -4.67 -0.04 0.00 3.11 4.32 -1.26 -5.02 117.00 113.43 1yrt n LEU 362 Ca -0.03 0.02 -0.04 0.00 -0.02 0.00 0.00 56.01 55.94 1yrt n LEU 362 Cb 0.19 -0.57 0.02 0.00 -1.62 0.00 0.00 43.42 41.44 1yrt n LEU 362 CO 0.37 -0.03 0.68 0.61 -1.22 0.00 0.00 177.39 177.80 1yrt n GLY 363 N -2.92 0.76 0.10 -0.72 0.00 -1.26 -5.13 105.19 96.03 1yrt n GLY 363 Ca -0.01 -1.16 0.16 0.00 0.00 0.00 0.00 46.02 45.01 1yrt n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32