#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avf n THR 3 N 0.00 0.00 -1.70 2.52 -2.24 -1.26 -5.11 114.28 106.49 1avf n THR 3 Ca 0.00 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 1avf n THR 3 Cb 0.00 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1avf n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1avf n TYR 4 N 0.07 2.62 -4.77 4.78 4.19 -1.26 -4.95 117.16 117.83 1avf n TYR 4 Ca -0.01 -0.05 -0.32 0.00 3.31 0.00 0.00 57.90 60.84 1avf n TYR 4 Cb 0.72 -2.69 -0.17 0.00 0.49 0.00 0.00 39.34 37.69 1avf n TYR 4 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1avf s GLU 5 N 2.14 2.87 1.07 2.98 0.41 -1.26 -5.01 118.70 121.90 1avf s GLU 5 Ca 0.80 -0.81 -0.13 0.00 -0.41 0.00 0.00 54.97 54.43 1avf s GLU 5 Cb -0.52 -2.29 0.23 0.00 -1.78 0.00 0.00 34.13 29.77 1avf s GLU 5 CO 0.36 0.03 1.07 -1.25 -0.49 0.00 0.00 175.26 174.98 1avf s PRO 6 N 0.72 -0.19 -0.02 0.39 0.04 -1.26 -1.39 135.00 133.29 1avf s PRO 6 Ca -0.10 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.26 1avf s PRO 6 Cb -0.16 -1.66 0.06 0.00 0.04 0.00 0.00 34.50 32.78 1avf s PRO 6 CO 0.01 -3.17 0.58 1.41 0.04 0.00 0.00 177.00 175.88 1avf s MET 7 N -4.78 0.99 0.47 4.56 1.75 -1.23 -4.11 119.30 116.95 1avf s MET 7 Ca 0.67 0.08 -0.03 0.00 -1.25 0.00 0.00 55.69 55.16 1avf s MET 7 Cb -0.21 0.46 0.10 0.00 2.84 0.00 0.00 34.83 38.02 1avf s MET 7 CO 0.60 -0.32 0.64 0.00 -0.65 0.00 0.00 175.02 175.29 1avf n ALA 8 N 0.87 -0.15 -2.27 4.11 0.00 -1.09 -4.57 120.51 117.41 1avf n ALA 8 Ca -0.19 -1.11 -0.21 0.00 0.00 0.00 0.00 53.44 51.93 1avf n ALA 8 Cb 0.58 0.13 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 1avf n ALA 8 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1avf n TYR 9 N -2.46 -0.83 0.78 0.00 4.01 -1.26 -4.88 117.16 112.51 1avf n TYR 9 Ca 0.10 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.93 1avf n TYR 9 Cb 0.34 -3.88 0.44 0.00 -0.31 0.00 0.00 39.34 35.94 1avf n TYR 9 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1avf n MET 10 N -2.90 0.14 0.00 -0.72 2.81 -1.26 -2.66 117.12 112.53 1avf n MET 10 Ca -0.24 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1avf n MET 10 Cb 0.69 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1avf n MET 10 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1avf n ASP 11 N -1.39 1.61 -4.76 7.83 8.00 -1.26 -5.02 116.55 121.57 1avf n ASP 11 Ca 0.07 -1.65 -0.41 0.00 0.71 0.00 0.00 54.79 53.51 1avf n ASP 11 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1avf n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1avf s ALA 12 N -0.65 3.49 0.00 2.24 0.00 -1.09 -4.75 121.76 121.00 1avf s ALA 12 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1avf s ALA 12 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1avf s ALA 12 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 175.76 175.26 1avf n ALA 13 N 1.55 0.14 -2.90 0.00 0.00 -1.26 -4.98 120.51 113.05 1avf n ALA 13 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.02 1avf n ALA 13 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1avf n ALA 13 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1avf s TYR 14 N -0.09 3.06 0.10 0.00 2.02 -1.26 -5.05 117.35 116.13 1avf s TYR 14 Ca 0.00 -0.74 0.10 0.00 -0.37 0.00 0.00 57.07 56.06 1avf s TYR 14 Cb 0.00 -3.67 -0.04 0.00 -0.40 0.00 0.00 41.96 37.86 1avf s TYR 14 CO 0.00 -1.10 -0.24 -0.06 -1.57 0.00 0.00 175.55 172.58 1avf s PHE 15 N 2.53 2.10 0.26 2.71 0.08 -1.26 -4.52 117.98 119.87 1avf s PHE 15 Ca 0.12 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.82 1avf s PHE 15 Cb -0.22 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.01 1avf s PHE 15 CO 0.09 0.24 0.01 0.20 -0.10 0.00 0.00 175.22 175.66 1avf s GLY 16 N -1.80 1.70 0.12 4.36 0.00 -0.89 -4.91 107.32 105.90 1avf s GLY 16 Ca 0.11 -1.85 -0.08 0.00 0.00 0.00 0.00 44.72 42.90 1avf s GLY 16 CO 0.04 -1.71 0.41 1.85 0.00 0.00 0.00 173.10 173.70 1avf s GLU 17 N -3.86 3.71 0.23 2.90 2.12 -1.26 -0.78 118.70 121.75 1avf s GLU 17 Ca 0.31 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.73 1avf s GLU 17 Cb 0.06 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 1avf s GLU 17 CO 0.11 0.49 0.18 0.96 -0.54 0.00 0.00 175.26 176.46 1avf s ILE 18 N -1.55 0.00 0.03 -3.70 -4.36 -0.44 -4.86 121.20 106.33 1avf s ILE 18 Ca 0.38 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1avf s ILE 18 Cb -0.13 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 1avf s ILE 18 CO 0.21 0.00 -0.07 -0.44 0.24 0.00 0.00 174.94 174.88 1avf s SER 19 N -3.19 0.77 -0.03 4.36 0.01 -0.09 -1.30 113.70 114.23 1avf s SER 19 Ca 0.38 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.19 1avf s SER 19 Cb 0.06 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.33 1avf s SER 19 CO 0.15 -0.16 -0.03 -0.63 0.41 0.00 0.00 173.24 172.98 1avf s ILE 20 N -1.15 0.37 0.00 1.44 1.01 0.18 0.03 121.20 123.08 1avf s ILE 20 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1avf s ILE 20 Cb -0.08 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1avf s ILE 20 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1avf n GLY 21 N 3.92 1.30 2.79 6.18 0.00 0.40 -1.49 105.19 118.28 1avf n GLY 21 Ca -0.25 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.50 1avf n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1avf s THR 22 N -1.94 0.63 0.99 2.61 2.01 -1.26 -2.83 115.64 115.85 1avf s THR 22 Ca 0.00 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1avf s THR 22 Cb 0.00 -0.93 0.19 0.00 0.01 0.00 0.00 72.50 71.76 1avf s THR 22 CO 0.00 0.04 1.08 -2.16 -0.69 0.00 0.00 174.62 172.89 1avf s PRO 23 N 1.84 0.46 0.18 4.92 0.04 -1.26 -1.03 135.00 140.15 1avf s PRO 23 Ca 0.02 0.70 -0.33 0.00 0.04 0.00 0.00 61.00 61.43 1avf s PRO 23 Cb -0.15 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 1avf s PRO 23 CO -0.07 -2.76 1.61 -2.30 0.04 0.00 0.00 177.00 173.53 1avf n PRO 24 N -4.22 2.33 -3.91 0.56 -0.02 -1.13 -4.90 135.00 123.71 1avf n PRO 24 Ca 0.06 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 62.02 1avf n PRO 24 Cb 0.56 -2.63 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 1avf n PRO 24 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1avf s GLN 25 N 0.93 3.24 0.19 -0.52 -0.21 -0.56 -4.91 119.66 117.82 1avf s GLN 25 Ca 0.77 -0.72 -0.25 0.00 0.02 0.00 0.00 55.36 55.18 1avf s GLN 25 Cb -0.63 -3.03 -0.08 0.00 1.00 0.00 0.00 33.01 30.27 1avf s GLN 25 CO 0.37 -0.26 0.80 -0.80 -2.12 0.00 0.00 175.29 173.28 1avf s ASN 26 N 1.45 7.37 -0.02 5.90 0.01 -1.26 -0.64 114.94 127.74 1avf s ASN 26 Ca 0.04 1.66 -0.06 0.00 -0.71 0.00 0.00 52.86 53.79 1avf s ASN 26 Cb -0.15 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1avf s ASN 26 CO -0.03 0.16 0.14 -0.36 -1.51 0.00 0.00 177.10 175.49 1avf s PHE 27 N -1.24 -0.03 -0.22 2.20 0.40 -0.42 -4.84 117.98 113.83 1avf s PHE 27 Ca 0.38 0.05 -0.15 0.00 -0.60 0.00 0.00 56.93 56.61 1avf s PHE 27 Cb -0.22 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 1avf s PHE 27 CO 0.26 -0.21 0.37 -0.51 0.70 0.00 0.00 175.22 175.83 1avf s LEU 28 N -0.86 4.12 0.20 -0.37 1.43 -1.26 -1.32 118.68 120.61 1avf s LEU 28 Ca -0.10 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1avf s LEU 28 Cb -0.05 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1avf s LEU 28 CO 0.01 -0.09 -0.15 0.68 0.23 0.00 0.00 176.35 177.03 1avf s VAL 29 N 1.47 1.77 -0.21 -1.59 -7.23 0.04 0.85 120.40 115.50 1avf s VAL 29 Ca 0.17 -2.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.02 1avf s VAL 29 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1avf s VAL 29 CO 0.08 -0.54 0.41 -0.22 -0.31 0.00 0.00 175.10 174.52 1avf s LEU 30 N -3.20 4.14 -0.77 1.32 2.96 -0.95 -2.09 118.68 120.09 1avf s LEU 30 Ca 0.21 0.52 -0.24 0.00 -0.22 0.00 0.00 54.13 54.41 1avf s LEU 30 Cb -0.02 -2.54 0.06 0.00 0.50 0.00 0.00 46.19 44.20 1avf s LEU 30 CO 0.07 -0.10 1.16 -0.36 -1.32 0.00 0.00 176.35 175.80 1avf s PHE 31 N 1.42 2.58 -0.46 5.38 0.08 -1.26 -1.47 117.98 124.25 1avf s PHE 31 Ca 0.19 -0.54 -0.22 0.00 0.12 0.00 0.00 56.93 56.49 1avf s PHE 31 Cb -0.15 -4.46 0.03 0.00 -0.57 0.00 0.00 43.02 37.87 1avf s PHE 31 CO 0.08 -1.81 0.72 0.34 -0.10 0.00 0.00 175.22 174.45 1avf s ASP 32 N 3.88 6.34 0.00 1.36 2.15 -0.34 -4.81 116.67 125.25 1avf s ASP 32 Ca 0.31 -0.34 0.27 0.00 0.43 0.00 0.00 52.55 53.22 1avf s ASP 32 Cb -0.10 -2.35 1.32 0.00 -0.30 0.00 0.00 42.92 41.49 1avf s ASP 32 CO 0.06 -0.89 1.90 0.35 -0.17 0.00 0.00 175.17 176.43 1avf n THR 33 N 5.95 0.14 0.00 1.71 -2.24 -1.26 -0.16 114.28 118.42 1avf n THR 33 Ca -0.01 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1avf n THR 33 Cb 0.48 -0.59 0.27 0.00 -2.10 0.00 0.00 70.33 68.38 1avf n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1avf n GLY 34 N 1.03 2.08 3.35 3.38 0.00 -1.26 -4.01 105.19 109.76 1avf n GLY 34 Ca 0.12 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1avf n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1avf s SER 35 N -1.27 1.55 0.00 1.61 0.01 -1.14 -4.96 113.70 109.50 1avf s SER 35 Ca 0.44 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1avf s SER 35 Cb 0.24 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.78 1avf s SER 35 CO 0.33 -0.83 0.12 -1.20 0.41 0.00 0.00 173.24 172.07 1avf n SER 36 N -0.80 0.25 -4.88 2.44 7.64 -1.26 0.56 113.62 117.57 1avf n SER 36 Ca 0.00 -0.70 -0.36 0.00 1.01 0.00 0.00 58.87 58.81 1avf n SER 36 Cb 0.65 0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.94 1avf n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1avf s ASN 37 N -0.15 6.46 -0.21 6.43 -0.87 -1.26 -4.49 114.94 120.85 1avf s ASN 37 Ca 0.00 0.53 -0.11 0.00 -1.57 0.00 0.00 52.86 51.71 1avf s ASN 37 Cb 0.00 -2.09 -0.05 0.00 -0.02 0.00 0.00 41.25 39.09 1avf s ASN 37 CO 0.00 0.36 0.17 -0.22 -2.57 0.00 0.00 177.10 174.84 1avf s LEU 38 N -1.22 4.18 0.05 0.60 2.96 -1.26 -1.27 118.68 122.73 1avf s LEU 38 Ca 0.19 0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 54.16 1avf s LEU 38 Cb -0.13 -2.15 0.04 0.00 0.50 0.00 0.00 46.19 44.45 1avf s LEU 38 CO 0.08 0.12 0.41 -1.66 -1.32 0.00 0.00 176.35 173.99 1avf s TRP 39 N 0.63 -0.26 0.10 5.38 1.48 -0.43 -0.03 118.94 125.82 1avf s TRP 39 Ca 0.09 0.18 -0.10 0.00 -1.06 0.00 0.00 56.10 55.21 1avf s TRP 39 Cb -0.12 0.22 0.01 0.00 -1.16 0.00 0.00 33.47 32.42 1avf s TRP 39 CO 0.01 -0.59 0.25 0.14 -4.06 0.00 0.00 176.95 172.70 1avf s VAL 40 N -2.66 0.12 0.19 -0.66 -7.23 -0.31 -1.48 120.40 108.38 1avf s VAL 40 Ca -0.04 -1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.81 1avf s VAL 40 Cb -0.00 -1.33 -0.08 0.00 0.56 0.00 0.00 36.38 35.52 1avf s VAL 40 CO -0.04 -0.55 0.85 -2.16 -0.31 0.00 0.00 175.10 172.89 1avf s PRO 41 N -3.85 4.69 0.75 4.82 0.04 -1.26 -2.06 135.00 138.13 1avf s PRO 41 Ca 0.05 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1avf s PRO 41 Cb 0.04 -3.27 0.13 0.00 0.04 0.00 0.00 34.50 31.44 1avf s PRO 41 CO -0.11 0.54 1.04 -1.54 0.04 0.00 0.00 177.00 176.98 1avf s SER 42 N -1.13 4.21 0.40 6.66 1.04 -0.57 -0.33 113.70 123.98 1avf s SER 42 Ca 0.38 -0.18 0.17 0.00 0.48 0.00 0.00 55.95 56.80 1avf s SER 42 Cb -0.24 -0.18 0.86 0.00 0.10 0.00 0.00 66.02 66.55 1avf s SER 42 CO 0.29 -1.96 1.85 -0.37 0.98 0.00 0.00 173.24 174.02 1avf h VAL 43 N -0.70 1.01 0.00 5.02 -1.51 -1.27 -2.73 116.25 116.08 1avf h VAL 43 Ca -0.39 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 1avf h VAL 43 Cb 1.27 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 1avf h VAL 43 CO 0.42 0.32 0.00 -1.22 -1.23 0.00 0.00 177.57 175.86 1avf n TYR 44 N -3.83 0.00 -2.97 5.19 4.01 -1.26 -4.15 117.16 114.15 1avf n TYR 44 Ca -0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.29 1avf n TYR 44 Cb 0.40 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 38.96 1avf n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1avf n GLN 46 N 7.02 2.99 -1.39 0.00 6.02 -1.26 -4.34 117.38 126.42 1avf n GLN 46 Ca -0.03 -2.47 -0.32 0.00 -0.01 0.00 0.00 57.00 54.17 1avf n GLN 46 Cb 0.45 -1.53 0.09 0.00 1.02 0.00 0.00 30.24 30.27 1avf n GLN 46 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1avf s SER 47 N -1.06 4.43 0.51 1.08 1.04 -1.26 -4.67 113.70 113.77 1avf s SER 47 Ca 0.38 2.04 0.15 0.00 0.48 0.00 0.00 55.95 59.00 1avf s SER 47 Cb 0.22 -2.55 1.23 0.00 0.10 0.00 0.00 66.02 65.02 1avf s SER 47 CO 0.23 -2.09 2.14 1.56 0.98 0.00 0.00 173.24 176.06 1avf h GLN 48 N -0.67 0.05 0.00 4.02 1.08 -2.00 0.15 115.11 117.75 1avf h GLN 48 Ca -0.45 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1avf h GLN 48 Cb 1.25 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1avf h GLN 48 CO 0.51 0.03 0.00 0.00 -0.95 0.00 0.00 178.83 178.42 1avf n ALA 49 N -2.53 1.93 -0.07 3.87 0.00 -1.26 -3.48 120.51 118.96 1avf n ALA 49 Ca -0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 1avf n ALA 49 Cb 0.09 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 1avf n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1avf h THR 51 N -0.41 0.00 0.00 0.00 1.35 -1.24 0.20 112.91 112.81 1avf h THR 51 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1avf h THR 51 Cb 1.36 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1avf h THR 51 CO -0.19 0.00 -0.44 -1.54 -0.25 0.00 0.00 175.52 173.10 1avf n SER 52 N -2.45 0.45 -4.98 5.36 3.41 -1.26 -4.93 113.62 109.22 1avf n SER 52 Ca -0.01 -0.12 -0.20 0.00 -0.26 0.00 0.00 58.87 58.28 1avf n SER 52 Cb 0.55 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1avf n SER 52 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1avf s HIS 53 N -3.01 3.09 -0.03 7.33 3.76 0.69 -5.06 115.29 122.06 1avf s HIS 53 Ca 0.11 -0.13 -0.30 0.00 -0.15 0.00 0.00 55.06 54.59 1avf s HIS 53 Cb 0.17 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 1avf s HIS 53 CO 0.68 -0.17 1.06 -1.12 -0.85 0.00 0.00 174.74 174.34 1avf s SER 54 N -4.21 7.23 0.01 1.40 0.01 -1.26 -5.01 113.70 111.87 1avf s SER 54 Ca 0.47 1.70 0.08 0.00 1.31 0.00 0.00 55.95 59.51 1avf s SER 54 Cb -0.10 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 1avf s SER 54 CO 0.33 -0.40 -0.25 -0.13 0.41 0.00 0.00 173.24 173.20 1avf s ARG 55 N 1.53 1.91 0.01 12.44 0.52 -1.26 -4.56 118.95 129.53 1avf s ARG 55 Ca 0.53 -0.96 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 1avf s ARG 55 Cb -0.22 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1avf s ARG 55 CO 0.24 0.52 0.91 0.12 0.02 0.00 0.00 175.30 177.11 1avf s PHE 56 N -0.67 3.67 -0.37 -0.53 5.36 0.55 -4.67 117.98 121.33 1avf s PHE 56 Ca 0.10 1.62 -0.01 0.00 -0.96 0.00 0.00 56.93 57.68 1avf s PHE 56 Cb -0.10 -3.03 0.09 0.00 -0.34 0.00 0.00 43.02 39.64 1avf s PHE 56 CO 0.00 0.06 0.12 1.21 -1.46 0.00 0.00 175.22 175.15 1avf s ASN 57 N 0.76 5.07 0.44 6.13 3.84 -1.26 -0.86 114.94 129.06 1avf s ASN 57 Ca 0.48 -1.90 0.15 0.00 0.21 0.00 0.00 52.86 51.80 1avf s ASN 57 Cb -0.21 -1.76 1.07 0.00 -0.55 0.00 0.00 41.25 39.81 1avf s ASN 57 CO 0.26 -0.45 1.97 -0.65 -2.79 0.00 0.00 177.10 175.44 1avf h PRO 58 N 7.94 0.36 -0.62 0.43 0.11 -1.95 -2.55 132.00 135.71 1avf h PRO 58 Ca -0.13 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.99 1avf h PRO 58 Cb 1.04 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1avf h PRO 58 CO 0.62 0.24 0.38 0.77 -0.21 0.00 0.00 178.00 179.80 1avf h SER 59 N 0.37 0.61 0.06 -2.05 0.02 -2.02 -2.56 113.55 107.99 1avf h SER 59 Ca 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1avf h SER 59 Cb 0.66 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1avf h SER 59 CO -0.08 0.42 0.00 -0.62 -1.14 0.00 0.00 176.83 175.41 1avf n GLU 60 N -4.73 0.37 -4.79 3.45 1.02 -0.96 -4.74 120.64 110.26 1avf n GLU 60 Ca 0.06 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 1avf n GLU 60 Cb 0.09 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.88 1avf n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1avf s SER 61 N -2.14 4.09 0.00 1.62 0.15 -0.97 -4.02 113.70 112.43 1avf s SER 61 Ca 0.19 -0.27 0.26 0.00 0.70 0.00 0.00 55.95 56.84 1avf s SER 61 Cb 0.09 -1.38 0.76 0.00 -1.71 0.00 0.00 66.02 63.78 1avf s SER 61 CO 0.17 0.23 1.57 -1.54 1.20 0.00 0.00 173.24 174.86 1avf n SER 62 N 3.12 0.98 -0.43 5.45 3.41 -0.20 -3.83 113.62 122.12 1avf n SER 62 Ca -0.18 -0.85 0.04 0.00 -0.26 0.00 0.00 58.87 57.63 1avf n SER 62 Cb 0.53 0.13 0.11 0.00 -0.26 0.00 0.00 64.21 64.72 1avf n SER 62 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1avf n THR 63 N -0.70 1.10 -2.64 6.66 -2.24 -1.26 -5.02 114.28 110.18 1avf n THR 63 Ca 0.12 -1.09 -0.38 0.00 -2.27 0.00 0.00 64.05 60.43 1avf n THR 63 Cb 0.35 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 1avf n THR 63 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1avf s TYR 64 N -1.17 3.57 0.20 4.78 5.04 -1.25 -4.45 117.35 124.07 1avf s TYR 64 Ca 0.17 1.74 -0.07 0.00 -2.44 0.00 0.00 57.07 56.47 1avf s TYR 64 Cb 0.10 -3.07 -0.02 0.00 0.35 0.00 0.00 41.96 39.32 1avf s TYR 64 CO 0.10 -0.18 0.29 0.45 -1.34 0.00 0.00 175.55 174.86 1avf s SER 65 N -1.38 0.05 -0.06 4.32 0.15 0.11 -4.98 113.70 111.90 1avf s SER 65 Ca 0.50 -1.05 -0.31 0.00 0.70 0.00 0.00 55.95 55.79 1avf s SER 65 Cb -0.24 0.46 0.11 0.00 -1.71 0.00 0.00 66.02 64.65 1avf s SER 65 CO 0.30 -0.94 1.02 0.28 1.20 0.00 0.00 173.24 175.09 1avf s THR 66 N -4.04 0.00 0.00 6.45 -1.32 -1.26 -0.30 115.64 115.16 1avf s THR 66 Ca 0.25 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 1avf s THR 66 Cb 0.03 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1avf s THR 66 CO 0.06 0.00 0.91 0.59 -2.21 0.00 0.00 174.62 173.98 1avf n ASN 67 N -0.21 1.78 0.00 8.08 3.02 -1.26 -4.99 115.26 121.69 1avf n ASN 67 Ca -0.05 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1avf n ASN 67 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1avf n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1avf n GLY 68 N -0.42 0.54 3.70 7.41 0.00 -1.26 -4.96 105.19 110.20 1avf n GLY 68 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1avf n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1avf n GLN 69 N -1.88 2.54 -2.24 1.61 7.27 -1.26 -4.86 117.38 118.55 1avf n GLN 69 Ca 0.00 0.92 -0.41 0.00 0.07 0.00 0.00 57.00 57.57 1avf n GLN 69 Cb 0.04 -2.74 -0.03 0.00 2.41 0.00 0.00 30.24 29.91 1avf n GLN 69 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1avf s THR 70 N 1.36 3.30 -0.13 1.69 -4.23 -1.26 -0.77 115.64 115.59 1avf s THR 70 Ca 0.78 1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 62.34 1avf s THR 70 Cb -0.57 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 1avf s THR 70 CO 0.35 0.15 -0.11 0.12 -0.54 0.00 0.00 174.62 174.59 1avf s PHE 71 N 0.18 2.85 -0.12 3.99 5.36 0.04 -4.72 117.98 125.57 1avf s PHE 71 Ca 0.57 -0.55 -0.05 0.00 -0.96 0.00 0.00 56.93 55.94 1avf s PHE 71 Cb -0.36 -1.85 0.06 0.00 -0.34 0.00 0.00 43.02 40.53 1avf s PHE 71 CO 0.37 -0.15 0.25 0.45 -1.46 0.00 0.00 175.22 174.68 1avf s SER 72 N 0.29 0.25 -0.57 6.13 0.15 -1.26 -1.59 113.70 117.10 1avf s SER 72 Ca -0.08 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.15 1avf s SER 72 Cb -0.15 0.58 0.14 0.00 -1.71 0.00 0.00 66.02 64.88 1avf s SER 72 CO 0.05 -0.22 0.33 -0.76 1.20 0.00 0.00 173.24 173.83 1avf s LEU 73 N 2.13 4.39 0.36 3.45 1.43 -0.74 -4.91 118.68 124.79 1avf s LEU 73 Ca -0.01 -3.25 0.09 0.00 -1.03 0.00 0.00 54.13 49.93 1avf s LEU 73 Cb -0.12 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 1avf s LEU 73 CO -0.08 -0.19 0.03 -1.10 0.23 0.00 0.00 176.35 175.24 1avf s GLN 74 N -0.61 2.08 0.00 1.70 -0.21 -1.26 -2.02 119.66 119.34 1avf s GLN 74 Ca 0.19 -1.80 0.00 0.00 0.02 0.00 0.00 55.36 53.77 1avf s GLN 74 Cb -0.20 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1avf s GLN 74 CO -0.05 0.09 0.00 0.98 -2.12 0.00 0.00 175.29 174.19 1avf n TYR 75 N -0.99 0.00 -0.98 0.91 -0.00 -1.26 -4.98 117.16 109.87 1avf n TYR 75 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 1avf n TYR 75 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.97 1avf n TYR 75 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1avf n SER 77 N 0.00 0.00 -3.60 2.98 3.41 -1.26 -5.62 113.62 109.53 1avf n SER 77 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1avf n SER 77 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1avf n SER 77 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1avf s GLY 78 N -0.78 -0.22 -0.27 5.00 0.00 -1.26 -2.66 107.32 107.13 1avf s GLY 78 Ca 0.00 1.88 -0.01 0.00 0.00 0.00 0.00 44.72 46.59 1avf s GLY 78 CO 0.00 0.71 0.27 -1.35 0.00 0.00 0.00 173.10 172.73 1avf s SER 79 N -1.82 1.76 -0.08 1.64 1.04 -0.82 -4.61 113.70 110.81 1avf s SER 79 Ca 0.08 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1avf s SER 79 Cb -0.01 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1avf s SER 79 CO -0.05 -0.38 -0.10 -0.22 0.98 0.00 0.00 173.24 173.47 1avf s LEU 80 N 2.34 1.49 -0.01 2.42 2.96 -0.86 -3.82 118.68 123.20 1avf s LEU 80 Ca 0.09 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1avf s LEU 80 Cb -0.14 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 1avf s LEU 80 CO -0.30 -0.02 0.05 -0.89 -1.32 0.00 0.00 176.35 173.87 1avf s THR 81 N 1.00 0.03 0.00 3.68 2.01 -1.26 -1.80 115.64 119.30 1avf s THR 81 Ca -0.08 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1avf s THR 81 Cb -0.15 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.19 1avf s THR 81 CO -0.00 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1avf n GLY 82 N 2.53 -0.72 3.34 4.40 0.00 -0.62 0.34 105.19 114.46 1avf n GLY 82 Ca -0.16 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1avf n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1avf s PHE 83 N -1.99 0.19 -0.29 1.61 -0.12 -0.89 -0.78 117.98 115.72 1avf s PHE 83 Ca 0.00 -0.56 -0.22 0.00 -0.05 0.00 0.00 56.93 56.10 1avf s PHE 83 Cb 0.00 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 1avf s PHE 83 CO 0.00 -0.72 0.72 -0.06 -0.05 0.00 0.00 175.22 175.11 1avf s PHE 84 N -3.91 3.23 0.47 3.49 0.08 0.05 -1.83 117.98 119.56 1avf s PHE 84 Ca 0.12 0.79 0.06 0.00 0.12 0.00 0.00 56.93 58.01 1avf s PHE 84 Cb 0.03 -3.07 -0.02 0.00 -0.57 0.00 0.00 43.02 39.39 1avf s PHE 84 CO -0.04 -0.48 0.22 0.20 -0.10 0.00 0.00 175.22 175.02 1avf s GLY 85 N 1.57 2.45 -0.02 4.36 0.00 -0.68 -4.00 107.32 110.99 1avf s GLY 85 Ca 0.29 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1avf s GLY 85 CO 0.11 -1.96 -0.05 -0.19 0.00 0.00 0.00 173.10 171.01 1avf s TYR 86 N -2.69 0.59 0.23 1.90 1.51 0.58 -1.44 117.35 118.03 1avf s TYR 86 Ca 0.34 -0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 56.17 1avf s TYR 86 Cb 0.02 -0.47 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1avf s TYR 86 CO 0.19 -0.09 0.50 -3.47 -1.11 0.00 0.00 175.55 171.58 1avf n ASP 87 N 3.46 -1.37 -4.66 2.29 -0.08 -1.10 0.07 116.55 115.16 1avf n ASP 87 Ca -0.19 -1.92 -0.41 0.00 -1.51 0.00 0.00 54.79 50.75 1avf n ASP 87 Cb 0.54 2.27 -0.05 0.00 2.34 0.00 0.00 41.12 46.23 1avf n ASP 87 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1avf s THR 88 N -2.43 4.93 -0.22 5.18 2.01 -1.26 -0.54 115.64 123.32 1avf s THR 88 Ca 0.10 1.42 -0.17 0.00 0.31 0.00 0.00 61.69 63.35 1avf s THR 88 Cb -0.03 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1avf s THR 88 CO 0.07 0.04 0.45 -0.22 -0.69 0.00 0.00 174.62 174.27 1avf s LEU 89 N 2.20 4.13 -0.15 4.42 2.96 0.21 -0.45 118.68 131.99 1avf s LEU 89 Ca 0.33 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 1avf s LEU 89 Cb -0.16 -2.59 0.01 0.00 0.50 0.00 0.00 46.19 43.95 1avf s LEU 89 CO 0.10 -0.15 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.90 1avf s THR 90 N 1.62 2.23 -0.34 3.68 2.01 0.10 -0.22 115.64 124.73 1avf s THR 90 Ca 0.20 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 1avf s THR 90 Cb -0.15 -1.91 0.11 0.00 0.01 0.00 0.00 72.50 70.55 1avf s THR 90 CO 0.09 0.54 0.14 -0.69 -0.69 0.00 0.00 174.62 174.00 1avf s VAL 91 N 0.93 0.86 0.00 3.82 1.01 0.11 -0.91 120.40 126.22 1avf s VAL 91 Ca -0.04 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.32 1avf s VAL 91 Cb -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1avf s VAL 91 CO -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 175.10 174.31 1avf n GLN 92 N 4.54 0.00 0.02 2.72 1.13 -1.26 -0.01 117.38 124.52 1avf n GLN 92 Ca 0.01 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.17 1avf n GLN 92 Cb 0.40 0.00 0.43 0.00 0.11 0.00 0.00 30.24 31.18 1avf n GLN 92 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1avf n SER 93 N 4.60 0.14 -4.72 1.08 3.41 -1.26 -4.75 113.62 112.12 1avf n SER 93 Ca 0.00 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.72 1avf n SER 93 Cb 0.00 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 1avf n SER 93 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1avf s ILE 94 N -3.04 4.88 -0.03 -1.33 1.01 0.99 -5.05 121.20 118.62 1avf s ILE 94 Ca 0.09 1.85 0.02 0.00 0.00 0.00 0.00 60.65 62.61 1avf s ILE 94 Cb 0.13 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1avf s ILE 94 CO 0.38 0.22 -0.08 -1.10 0.00 0.00 0.00 174.94 174.36 1avf s GLN 95 N 0.77 0.93 -0.26 2.79 -0.21 -1.26 0.08 119.66 122.50 1avf s GLN 95 Ca 0.46 -0.28 -0.02 0.00 0.02 0.00 0.00 55.36 55.54 1avf s GLN 95 Cb -0.20 -0.88 0.08 0.00 1.00 0.00 0.00 33.01 33.02 1avf s GLN 95 CO 0.25 0.09 0.08 0.08 -2.12 0.00 0.00 175.29 173.67 1avf s VAL 96 N 0.25 0.60 0.34 1.09 1.01 0.70 -4.94 120.40 119.45 1avf s VAL 96 Ca -0.04 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.71 1avf s VAL 96 Cb -0.09 -1.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.87 1avf s VAL 96 CO 0.00 -0.50 0.95 -2.16 0.00 0.00 0.00 175.10 173.40 1avf s PRO 97 N 1.78 4.51 -0.95 2.72 0.04 -1.26 -0.62 135.00 141.22 1avf s PRO 97 Ca 0.05 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1avf s PRO 97 Cb -0.17 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1avf s PRO 97 CO -0.20 0.21 0.54 0.09 0.04 0.00 0.00 177.00 177.68 1avf n ASN 98 N 0.38 -4.64 -4.65 6.66 3.02 -0.94 -4.92 115.26 110.17 1avf n ASN 98 Ca 0.03 -0.25 -0.43 0.00 -0.03 0.00 0.00 54.58 53.90 1avf n ASN 98 Cb 0.50 -3.40 -0.03 0.00 -0.61 0.00 0.00 39.78 36.25 1avf n ASN 98 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1avf s GLN 99 N -5.50 4.23 0.40 3.52 2.00 0.30 -4.70 119.66 119.91 1avf s GLN 99 Ca 0.27 1.21 -0.26 0.00 -2.00 0.00 0.00 55.36 54.57 1avf s GLN 99 Cb -0.12 -3.65 -0.09 0.00 0.80 0.00 0.00 33.01 29.96 1avf s GLN 99 CO 0.33 -0.60 1.34 -2.00 -0.50 0.00 0.00 175.29 173.86 1avf s GLU 100 N 3.09 3.97 0.04 1.67 2.12 -1.26 -2.70 118.70 125.64 1avf s GLU 100 Ca 0.41 2.23 -0.27 0.00 0.36 0.00 0.00 54.97 57.70 1avf s GLU 100 Cb -0.15 -2.79 0.07 0.00 0.26 0.00 0.00 34.13 31.53 1avf s GLU 100 CO 0.07 -0.52 0.65 -0.59 -0.54 0.00 0.00 175.26 174.33 1avf s PHE 101 N -1.23 -0.60 -0.01 5.30 -0.71 -0.52 -4.78 117.98 115.43 1avf s PHE 101 Ca 0.56 0.74 -0.20 0.00 -1.04 0.00 0.00 56.93 57.00 1avf s PHE 101 Cb -0.40 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1avf s PHE 101 CO 0.51 -0.71 0.56 0.20 -1.34 0.00 0.00 175.22 174.44 1avf s GLY 102 N -1.92 2.58 -0.27 1.99 0.00 0.96 -1.69 107.32 108.97 1avf s GLY 102 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 44.72 44.63 1avf s GLY 102 CO -0.01 0.66 -0.03 1.08 0.00 0.00 0.00 173.10 174.80 1avf s LEU 103 N -0.29 3.42 0.09 0.66 1.02 -0.76 -1.16 118.68 121.66 1avf s LEU 103 Ca 0.29 -0.94 -0.07 0.00 0.02 0.00 0.00 54.13 53.43 1avf s LEU 103 Cb -0.18 -1.70 -0.05 0.00 0.02 0.00 0.00 46.19 44.28 1avf s LEU 103 CO 0.16 -0.16 0.36 -0.94 0.02 0.00 0.00 176.35 175.79 1avf s SER 104 N 1.33 6.54 0.00 2.29 1.04 -0.87 -2.10 113.70 121.93 1avf s SER 104 Ca -0.01 0.65 0.22 0.00 0.48 0.00 0.00 55.95 57.29 1avf s SER 104 Cb -0.17 -2.12 0.53 0.00 0.10 0.00 0.00 66.02 64.36 1avf s SER 104 CO -0.03 0.13 1.46 -0.62 0.98 0.00 0.00 173.24 175.17 1avf n GLU 105 N 0.57 2.53 -3.68 4.02 1.02 0.15 -1.50 120.64 123.75 1avf n GLU 105 Ca -0.06 -2.35 -0.12 0.00 -0.02 0.00 0.00 57.16 54.61 1avf n GLU 105 Cb 0.52 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1avf n GLU 105 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1avf s ASN 106 N -1.27 -0.23 0.39 1.62 2.20 -1.25 -3.92 114.94 112.48 1avf s ASN 106 Ca 0.42 -0.13 -0.26 0.00 -0.94 0.00 0.00 52.86 51.96 1avf s ASN 106 Cb 0.23 0.42 -0.09 0.00 -2.00 0.00 0.00 41.25 39.82 1avf s ASN 106 CO 0.32 -0.70 1.18 -1.83 -2.94 0.00 0.00 177.10 173.13 1avf s GLU 107 N -2.82 4.12 0.44 3.55 1.03 -1.26 -4.67 118.70 119.08 1avf s GLU 107 Ca -0.03 1.87 0.12 0.00 0.03 0.00 0.00 54.97 56.96 1avf s GLU 107 Cb -0.00 -2.74 0.99 0.00 -0.80 0.00 0.00 34.13 31.57 1avf s GLU 107 CO -0.05 -0.27 2.03 -1.00 -1.33 0.00 0.00 175.26 174.64 1avf h PRO 108 N 2.78 0.17 -2.85 -4.83 0.13 -1.95 -3.44 132.00 122.01 1avf h PRO 108 Ca -0.49 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1avf h PRO 108 Cb 1.23 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1avf h PRO 108 CO 0.63 0.22 0.30 0.20 -0.23 0.00 0.00 178.00 179.12 1avf s GLY 109 N -4.02 -0.06 0.23 1.56 0.00 -1.26 -1.95 107.32 101.82 1avf s GLY 109 Ca -0.05 -0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 1avf s GLY 109 CO 0.71 -0.03 1.82 -0.84 0.00 0.00 0.00 173.10 174.76 1avf h THR 110 N 2.00 0.98 0.00 0.90 2.02 -1.48 -1.70 112.91 115.63 1avf h THR 110 Ca -0.22 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1avf h THR 110 Cb 1.24 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1avf h THR 110 CO 0.26 0.15 0.00 0.59 0.37 0.00 0.00 175.52 176.88 1avf n ASN 111 N -4.72 0.00 0.17 4.18 3.02 -1.26 -3.03 115.26 113.61 1avf n ASN 111 Ca 0.11 -0.12 0.18 0.00 -0.03 0.00 0.00 54.58 54.72 1avf n ASN 111 Cb 0.19 -0.22 0.80 0.00 -0.61 0.00 0.00 39.78 39.95 1avf n ASN 111 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1avf h PHE 112 N 0.00 0.00 0.00 3.10 3.57 -1.61 0.72 116.94 122.72 1avf h PHE 112 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1avf h PHE 112 Cb 0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1avf h PHE 112 CO 0.00 0.00 0.00 -0.24 -2.23 0.00 0.00 178.31 175.84 1avf h VAL 113 N 0.00 0.00 -0.01 1.41 3.04 -1.62 -1.72 116.25 117.35 1avf h VAL 113 Ca 0.12 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1avf h VAL 113 Cb 0.67 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1avf h VAL 113 CO -0.00 0.00 -0.31 -1.22 -1.01 0.00 0.00 177.57 175.03 1avf n TYR 114 N -2.68 0.00 -2.42 3.17 4.01 0.25 -5.00 117.16 114.48 1avf n TYR 114 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1avf n TYR 114 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.15 1avf n TYR 114 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1avf s ALA 115 N -1.96 3.42 -0.49 -0.72 0.00 -0.65 -4.94 121.76 116.42 1avf s ALA 115 Ca 0.16 0.93 0.23 0.00 0.00 0.00 0.00 51.96 53.28 1avf s ALA 115 Cb 0.14 -3.37 0.16 0.00 0.00 0.00 0.00 23.12 20.06 1avf s ALA 115 CO 0.41 -0.26 1.16 1.04 0.00 0.00 0.00 175.76 178.11 1avf n GLN 116 N 1.70 0.40 -2.80 0.00 1.13 -1.26 -4.87 117.38 111.67 1avf n GLN 116 Ca 0.01 0.08 -0.28 0.00 -1.94 0.00 0.00 57.00 54.87 1avf n GLN 116 Cb 0.45 -1.71 -0.01 0.00 0.11 0.00 0.00 30.24 29.07 1avf n GLN 116 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1avf s PHE 117 N -3.24 3.53 -0.18 1.08 -0.12 -1.26 -4.86 117.98 112.93 1avf s PHE 117 Ca 0.03 0.83 0.00 0.00 -0.05 0.00 0.00 56.93 57.75 1avf s PHE 117 Cb 0.12 -2.30 -0.11 0.00 -0.63 0.00 0.00 43.02 40.10 1avf s PHE 117 CO 0.76 -0.17 -0.17 -0.25 -0.05 0.00 0.00 175.22 175.35 1avf n ASP 118 N -1.84 2.50 -0.55 1.98 8.00 0.25 -4.97 116.55 121.91 1avf n ASP 118 Ca 0.01 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1avf n ASP 118 Cb 0.55 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1avf n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1avf n GLY 119 N 2.57 3.87 2.86 0.44 0.00 -1.03 -4.24 105.19 109.66 1avf n GLY 119 Ca -0.32 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1avf n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1avf s ILE 120 N -2.02 0.03 -0.36 -0.61 1.09 -0.55 -2.23 121.20 116.55 1avf s ILE 120 Ca 0.00 0.02 -0.04 0.00 -1.10 0.00 0.00 60.65 59.53 1avf s ILE 120 Cb 0.00 -0.06 0.07 0.00 -1.06 0.00 0.00 42.46 41.41 1avf s ILE 120 CO 0.00 0.03 0.13 -0.32 -0.10 0.00 0.00 174.94 174.68 1avf s MET 121 N 0.21 2.35 0.17 2.79 -2.45 -0.54 -1.31 119.30 120.51 1avf s MET 121 Ca -0.02 -1.46 -0.30 0.00 -1.25 0.00 0.00 55.69 52.66 1avf s MET 121 Cb -0.03 -3.46 -0.08 0.00 1.25 0.00 0.00 34.83 32.52 1avf s MET 121 CO -0.01 -0.83 1.20 0.20 1.05 0.00 0.00 175.02 176.63 1avf s GLY 122 N 1.60 2.64 -0.10 2.11 0.00 -0.39 -1.20 107.32 111.97 1avf s GLY 122 Ca 0.01 0.93 0.13 0.00 0.00 0.00 0.00 44.72 45.80 1avf s GLY 122 CO -0.01 1.88 1.18 1.04 0.00 0.00 0.00 173.10 177.19 1avf n LEU 123 N 2.70 2.66 0.00 0.66 4.77 0.77 -4.51 117.00 124.05 1avf n LEU 123 Ca 0.05 -2.70 -0.10 0.00 -0.03 0.00 0.00 56.01 53.23 1avf n LEU 123 Cb 0.45 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1avf n LEU 123 CO 0.56 0.66 0.26 0.00 -1.33 0.00 0.00 177.39 177.53 1avf n ALA 124 N -0.81 -0.20 -1.75 -1.18 0.00 0.19 -4.84 120.51 111.92 1avf n ALA 124 Ca 0.13 -0.70 -0.36 0.00 0.00 0.00 0.00 53.44 52.50 1avf n ALA 124 Cb 0.58 0.06 0.03 0.00 0.00 0.00 0.00 19.45 20.12 1avf n ALA 124 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1avf s TYR 125 N -1.47 2.39 0.26 0.00 1.51 -0.55 -4.73 117.35 114.75 1avf s TYR 125 Ca 0.26 1.50 -0.03 0.00 -1.01 0.00 0.00 57.07 57.79 1avf s TYR 125 Cb -0.01 -3.53 0.41 0.00 -0.11 0.00 0.00 41.96 38.72 1avf s TYR 125 CO 0.18 -2.29 1.84 -1.35 -1.11 0.00 0.00 175.55 172.82 1avf h PRO 126 N 1.02 0.94 0.00 -1.71 0.11 -1.93 -1.32 132.00 129.11 1avf h PRO 126 Ca -0.50 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1avf h PRO 126 Cb 1.30 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1avf h PRO 126 CO 0.56 0.62 0.17 0.00 -0.21 0.00 0.00 178.00 179.14 1avf n ALA 127 N -2.36 0.79 0.94 -0.75 0.00 -1.26 -0.19 120.51 117.68 1avf n ALA 127 Ca 0.15 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.83 1avf n ALA 127 Cb 0.24 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1avf n ALA 127 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1avf n LEU 128 N -2.04 0.79 -4.75 0.00 0.00 -0.50 -4.95 117.00 105.55 1avf n LEU 128 Ca -0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 56.01 55.29 1avf n LEU 128 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 43.42 43.51 1avf n LEU 128 CO 0.06 0.19 1.04 -0.55 0.00 0.00 0.00 177.39 178.13 1avf s SER 129 N -3.11 6.73 0.11 1.96 0.15 0.74 -4.60 113.70 115.68 1avf s SER 129 Ca 0.08 2.63 -0.30 0.00 0.70 0.00 0.00 55.95 59.06 1avf s SER 129 Cb 0.16 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.78 1avf s SER 129 CO 0.81 -0.62 1.19 -0.69 1.20 0.00 0.00 173.24 175.14 1avf s VAL 130 N -0.37 3.85 -1.47 4.45 1.01 -1.26 -2.64 120.40 123.97 1avf s VAL 130 Ca 0.55 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1avf s VAL 130 Cb -0.40 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1avf s VAL 130 CO 0.46 0.16 0.00 0.47 0.00 0.00 0.00 175.10 176.19 1avf n ASP 131 N 3.30 -4.99 -1.69 3.32 8.00 -1.26 -2.15 116.55 121.07 1avf n ASP 131 Ca 0.07 0.34 -0.20 0.00 0.71 0.00 0.00 54.79 55.71 1avf n ASP 131 Cb 0.46 -3.72 -0.07 0.00 -0.02 0.00 0.00 41.12 37.77 1avf n ASP 131 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1avf n GLU 132 N -2.17 -1.43 -1.68 -1.24 1.02 -1.08 -4.92 120.64 109.13 1avf n GLU 132 Ca -0.14 1.15 -0.43 0.00 -0.02 0.00 0.00 57.16 57.72 1avf n GLU 132 Cb 0.51 -5.55 -0.01 0.00 -0.02 0.00 0.00 31.44 26.36 1avf n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1avf n ALA 133 N 0.64 1.18 -1.78 0.62 0.00 -0.91 -4.87 120.51 115.39 1avf n ALA 133 Ca -0.21 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1avf n ALA 133 Cb 0.66 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1avf n ALA 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1avf s THR 134 N -0.73 2.14 0.42 0.00 2.01 -1.26 -4.84 115.64 113.38 1avf s THR 134 Ca 0.60 0.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.52 1avf s THR 134 Cb -0.60 -3.08 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 1avf s THR 134 CO 0.58 0.02 0.93 -0.89 -0.69 0.00 0.00 174.62 174.57 1avf s THR 135 N 0.08 4.42 0.16 -0.82 2.01 -1.26 -4.60 115.64 115.64 1avf s THR 135 Ca 0.63 1.43 -0.16 0.00 0.31 0.00 0.00 61.69 63.90 1avf s THR 135 Cb -0.47 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.50 1avf s THR 135 CO 0.46 -0.32 1.71 0.00 -0.69 0.00 0.00 174.62 175.78 1avf h ALA 136 N 1.91 0.37 -0.66 7.40 0.00 -1.82 -0.34 119.26 126.12 1avf h ALA 136 Ca -0.49 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1avf h ALA 136 Cb 1.18 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1avf h ALA 136 CO 0.61 -0.38 0.22 0.52 0.00 0.00 0.00 179.25 180.22 1avf h MET 137 N 0.13 0.99 -0.66 0.00 2.86 -1.94 -0.54 114.93 115.77 1avf h MET 137 Ca 0.19 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1avf h MET 137 Cb 0.26 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1avf h MET 137 CO -0.30 0.84 0.40 1.96 1.06 0.00 0.00 176.91 180.87 1avf h GLN 138 N 0.96 0.75 -0.25 1.72 4.20 -1.51 0.61 115.11 121.60 1avf h GLN 138 Ca 0.22 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1avf h GLN 138 Cb 0.26 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1avf h GLN 138 CO -0.01 0.50 -0.08 0.78 -0.67 0.00 0.00 178.83 179.34 1avf h GLY 139 N 0.78 0.54 0.72 3.46 0.00 -0.52 -0.43 103.07 107.60 1avf h GLY 139 Ca 0.27 -0.46 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1avf h GLY 139 CO -0.12 0.42 0.23 -0.33 0.00 0.00 0.00 176.54 176.74 1avf h MET 140 N 0.23 0.44 0.19 4.80 2.86 -0.78 0.03 114.93 122.70 1avf h MET 140 Ca 0.06 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1avf h MET 140 Cb 0.56 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1avf h MET 140 CO 0.03 0.29 -0.09 0.28 1.06 0.00 0.00 176.91 178.48 1avf h VAL 141 N 0.46 0.91 -0.50 -2.22 2.07 -0.80 -2.23 116.25 113.93 1avf h VAL 141 Ca 0.21 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1avf h VAL 141 Cb 0.14 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1avf h VAL 141 CO -0.16 0.13 0.33 1.56 0.02 0.00 0.00 177.57 179.46 1avf h GLN 142 N -0.56 0.56 0.00 1.57 1.08 -0.88 -0.78 115.11 116.10 1avf h GLN 142 Ca -0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1avf h GLN 142 Cb 0.42 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1avf h GLN 142 CO 0.04 0.37 0.00 0.93 -0.95 0.00 0.00 178.83 179.22 1avf h GLU 143 N 0.57 0.00 0.00 1.46 4.39 -0.86 -3.46 114.58 116.69 1avf h GLU 143 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1avf h GLU 143 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1avf h GLU 143 CO -0.05 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.21 1avf n GLY 144 N 0.17 0.48 0.22 -3.84 0.00 -0.30 -4.93 105.19 96.99 1avf n GLY 144 Ca 0.02 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.53 1avf n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1avf h ALA 145 N 0.00 1.02 -3.37 4.61 0.00 -1.62 -3.45 119.26 116.44 1avf h ALA 145 Ca 0.00 -0.23 -0.66 0.00 0.00 0.00 0.00 54.91 54.02 1avf h ALA 145 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.61 1avf h ALA 145 CO 0.00 0.32 -0.65 -0.51 0.00 0.00 0.00 179.25 178.41 1avf s LEU 146 N -6.85 3.50 0.46 0.00 1.43 -1.25 -4.97 118.68 110.99 1avf s LEU 146 Ca 0.00 -0.03 0.20 0.00 -1.03 0.00 0.00 54.13 53.28 1avf s LEU 146 Cb 0.10 -2.03 1.10 0.00 0.03 0.00 0.00 46.19 45.39 1avf s LEU 146 CO 0.65 0.27 1.96 0.74 0.23 0.00 0.00 176.35 180.20 1avf h THR 147 N 3.46 0.89 -2.35 5.49 2.02 -1.88 -3.45 112.91 117.09 1avf h THR 147 Ca -0.49 -0.83 -0.06 0.00 0.77 0.00 0.00 66.41 65.81 1avf h THR 147 Cb 1.17 1.48 -0.18 0.00 -1.74 0.00 0.00 68.15 68.89 1avf h THR 147 CO 0.58 0.21 0.12 -0.94 0.37 0.00 0.00 175.52 175.86 1avf s SER 148 N -6.56 -0.57 -1.29 4.18 1.04 -1.06 -5.06 113.70 104.39 1avf s SER 148 Ca -0.03 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 56.75 1avf s SER 148 Cb 0.14 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1avf s SER 148 CO 0.65 -0.66 2.32 -0.81 0.98 0.00 0.00 173.24 175.73 1avf n PRO 149 N 0.70 2.68 -3.86 4.02 -0.04 -1.26 -4.15 135.00 133.09 1avf n PRO 149 Ca -0.19 -2.22 -0.11 0.00 -0.04 0.00 0.00 63.50 60.93 1avf n PRO 149 Cb 0.58 -3.01 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 1avf n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1avf s VAL 150 N 3.36 0.07 0.04 0.52 1.01 -1.26 -1.73 120.40 122.41 1avf s VAL 150 Ca 0.53 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1avf s VAL 150 Cb 0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1avf s VAL 150 CO -0.03 -0.32 0.08 0.72 0.00 0.00 0.00 175.10 175.54 1avf s PHE 151 N -1.18 0.23 0.29 5.22 -0.12 -0.42 -0.05 117.98 121.95 1avf s PHE 151 Ca -0.13 -0.55 0.04 0.00 -0.05 0.00 0.00 56.93 56.25 1avf s PHE 151 Cb -0.07 -0.16 -0.06 0.00 -0.63 0.00 0.00 43.02 42.10 1avf s PHE 151 CO 0.01 -0.35 0.02 -1.12 -0.05 0.00 0.00 175.22 173.73 1avf s SER 152 N -2.14 2.27 -0.01 1.98 0.01 0.18 -0.64 113.70 115.36 1avf s SER 152 Ca -0.05 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1avf s SER 152 Cb -0.01 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.16 1avf s SER 152 CO -0.05 -0.53 0.00 -0.69 0.41 0.00 0.00 173.24 172.39 1avf s VAL 153 N -3.28 0.06 -0.05 3.43 1.01 0.04 -0.87 120.40 120.73 1avf s VAL 153 Ca 0.33 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1avf s VAL 153 Cb 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.35 1avf s VAL 153 CO 0.13 0.07 -0.05 -0.47 0.00 0.00 0.00 175.10 174.78 1avf s TYR 154 N 0.53 0.84 -0.02 5.22 5.04 0.42 -2.19 117.35 127.19 1avf s TYR 154 Ca -0.05 -0.25 0.05 0.00 -2.44 0.00 0.00 57.07 54.37 1avf s TYR 154 Cb -0.07 -0.74 -0.01 0.00 0.35 0.00 0.00 41.96 41.49 1avf s TYR 154 CO -0.01 -0.22 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.31 1avf s LEU 155 N 1.01 1.99 0.19 6.97 1.43 -1.26 -0.41 118.68 128.61 1avf s LEU 155 Ca -0.09 -0.29 0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1avf s LEU 155 Cb -0.14 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1avf s LEU 155 CO -0.00 0.18 -0.20 -0.94 0.23 0.00 0.00 176.35 175.61 1avf s SER 156 N -0.26 3.65 0.00 2.29 1.04 -1.26 -4.54 113.70 114.62 1avf s SER 156 Ca 0.04 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1avf s SER 156 Cb -0.07 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1avf s SER 156 CO -0.00 0.12 0.00 -3.20 0.98 0.00 0.00 173.24 171.13 1avf n ASN 157 N 0.19 0.00 0.00 7.02 5.15 -1.26 -4.87 115.26 121.50 1avf n ASN 157 Ca -0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1avf n ASN 157 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1avf n ASN 157 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1avf n GLY 163 N 0.00 -0.30 0.00 8.20 0.00 -1.26 -5.62 105.19 106.21 1avf n GLY 163 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1avf n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avf n GLY 164 N 0.00 -0.59 3.39 -0.02 0.00 -1.26 -4.45 105.19 102.26 1avf n GLY 164 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1avf n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1avf s ALA 165 N -1.00 -1.31 -0.20 4.61 0.00 0.46 -4.98 121.76 119.34 1avf s ALA 165 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1avf s ALA 165 Cb 0.00 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1avf s ALA 165 CO 0.00 -0.36 -0.14 0.08 0.00 0.00 0.00 175.76 175.34 1avf s VAL 166 N -1.55 2.56 -0.35 0.00 1.01 -1.26 -0.43 120.40 120.38 1avf s VAL 166 Ca -0.10 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1avf s VAL 166 Cb -0.02 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.28 1avf s VAL 166 CO 0.05 0.48 0.11 -0.69 0.00 0.00 0.00 175.10 175.05 1avf s VAL 167 N 1.36 3.70 0.03 2.92 1.01 -0.05 -4.96 120.40 124.41 1avf s VAL 167 Ca 0.05 -1.25 -0.24 0.00 0.00 0.00 0.00 61.98 60.55 1avf s VAL 167 Cb -0.14 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1avf s VAL 167 CO -0.09 -0.24 0.71 -0.36 0.00 0.00 0.00 175.10 175.13 1avf s PHE 168 N 1.37 3.72 0.00 5.22 0.08 -1.26 -0.65 117.98 126.46 1avf s PHE 168 Ca -0.01 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.43 1avf s PHE 168 Cb -0.20 -2.76 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1avf s PHE 168 CO 0.02 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.84 1avf n GLY 169 N 2.43 0.88 0.00 4.36 0.00 0.93 -4.85 105.19 108.94 1avf n GLY 169 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1avf n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avf n GLY 170 N -2.00 -0.63 3.37 -0.02 0.00 -1.13 -2.56 105.19 102.22 1avf n GLY 170 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 1avf n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1avf s VAL 171 N -4.00 1.65 -0.30 1.61 -7.23 -1.26 -3.78 120.40 107.09 1avf s VAL 171 Ca 0.00 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.00 1avf s VAL 171 Cb 0.00 -2.18 0.07 0.00 0.56 0.00 0.00 36.38 34.83 1avf s VAL 171 CO 0.00 -0.50 -0.01 -0.62 -0.31 0.00 0.00 175.10 173.66 1avf s ASP 172 N -3.35 4.75 0.17 4.85 -1.08 -1.26 -4.98 116.67 115.77 1avf s ASP 172 Ca 0.25 -1.50 0.11 0.00 -0.52 0.00 0.00 52.55 50.89 1avf s ASP 172 Cb 0.01 -1.66 0.58 0.00 -1.46 0.00 0.00 42.92 40.39 1avf s ASP 172 CO 0.08 -0.28 1.30 -1.54 0.52 0.00 0.00 175.17 175.25 1avf n SER 173 N 4.51 0.27 -0.07 -0.34 3.41 -1.26 -1.21 113.62 118.92 1avf n SER 173 Ca -0.10 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 1avf n SER 173 Cb 0.43 -0.63 0.45 0.00 -0.26 0.00 0.00 64.21 64.20 1avf n SER 173 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1avf n SER 174 N -1.86 0.47 -0.17 4.04 3.41 -1.26 -3.71 113.62 114.54 1avf n SER 174 Ca -0.01 -0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.43 1avf n SER 174 Cb 0.06 -0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.17 1avf n SER 174 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1avf n LEU 175 N -1.21 1.03 -4.25 1.04 4.77 -0.35 -4.83 117.00 113.21 1avf n LEU 175 Ca 0.10 -0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 55.62 1avf n LEU 175 Cb 0.32 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1avf n LEU 175 CO 0.29 0.21 -0.23 -0.72 -1.33 0.00 0.00 177.39 175.61 1avf s TYR 176 N -2.74 1.36 0.11 -1.77 -0.85 -1.24 -1.01 117.35 111.20 1avf s TYR 176 Ca 0.16 -1.35 0.07 0.00 -0.52 0.00 0.00 57.07 55.44 1avf s TYR 176 Cb 0.18 -0.70 -0.04 0.00 0.38 0.00 0.00 41.96 41.79 1avf s TYR 176 CO 0.65 -0.56 -0.18 0.99 -1.52 0.00 0.00 175.55 174.92 1avf s THR 177 N -3.93 1.57 0.00 -3.49 2.01 0.18 -4.68 115.64 107.30 1avf s THR 177 Ca 0.38 -1.59 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1avf s THR 177 Cb 0.07 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 71.06 1avf s THR 177 CO 0.14 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1avf n GLY 178 N 0.90 -0.99 3.91 4.40 0.00 -1.26 -3.48 105.19 108.67 1avf n GLY 178 Ca -0.18 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 1avf n GLY 178 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1avf s GLN 179 N 0.00 2.34 -0.23 1.61 -0.21 -1.26 -4.95 119.66 116.96 1avf s GLN 179 Ca 0.00 0.01 -0.10 0.00 0.02 0.00 0.00 55.36 55.29 1avf s GLN 179 Cb 0.00 -2.10 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1avf s GLN 179 CO 0.00 -1.23 0.13 0.42 -2.12 0.00 0.00 175.29 172.49 1avf s ILE 180 N -3.32 5.13 -0.23 1.08 1.01 -1.26 -4.47 121.20 119.12 1avf s ILE 180 Ca 0.59 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 61.26 1avf s ILE 180 Cb -0.11 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1avf s ILE 180 CO 0.47 0.36 0.10 -0.31 0.00 0.00 0.00 174.94 175.57 1avf s TYR 181 N 1.03 3.19 0.21 3.97 2.02 0.94 -4.86 117.35 123.86 1avf s TYR 181 Ca 0.06 -0.08 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 1avf s TYR 181 Cb -0.14 -2.22 -0.07 0.00 -0.40 0.00 0.00 41.96 39.13 1avf s TYR 181 CO 0.04 -0.11 0.51 -1.58 -1.57 0.00 0.00 175.55 172.84 1avf s TRP 182 N 1.21 3.44 -0.03 2.71 0.52 -1.26 -0.51 118.94 125.02 1avf s TRP 182 Ca 0.06 0.78 -0.02 0.00 0.02 0.00 0.00 56.10 56.94 1avf s TRP 182 Cb -0.14 -2.19 0.01 0.00 -1.15 0.00 0.00 33.47 30.00 1avf s TRP 182 CO 0.04 0.30 0.07 0.00 0.02 0.00 0.00 176.95 177.38 1avf s ALA 183 N -1.80 -0.16 0.46 0.98 0.00 0.07 -4.89 121.76 116.41 1avf s ALA 183 Ca 0.46 0.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 1avf s ALA 183 Cb -0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1avf s ALA 183 CO 0.23 -0.04 1.16 -1.25 0.00 0.00 0.00 175.76 175.85 1avf s PRO 184 N 0.17 3.77 -0.09 0.00 0.04 -1.26 -1.10 135.00 136.53 1avf s PRO 184 Ca -0.01 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1avf s PRO 184 Cb -0.02 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1avf s PRO 184 CO -0.00 -0.54 1.07 0.08 0.04 0.00 0.00 177.00 177.64 1avf s VAL 185 N -1.55 4.61 0.01 -0.36 1.01 -0.35 -4.39 120.40 119.38 1avf s VAL 185 Ca 0.63 1.90 -0.19 0.00 0.00 0.00 0.00 61.98 64.32 1avf s VAL 185 Cb -0.28 -4.22 -0.26 0.00 0.00 0.00 0.00 36.38 31.62 1avf s VAL 185 CO 0.35 0.00 1.07 0.71 0.00 0.00 0.00 175.10 177.23 1avf h THR 186 N 5.07 1.41 -3.29 3.92 1.35 -1.37 -3.43 112.91 116.57 1avf h THR 186 Ca -0.32 -2.23 -0.53 0.00 -0.55 0.00 0.00 66.41 62.78 1avf h THR 186 Cb 1.15 2.71 -0.40 0.00 -1.73 0.00 0.00 68.15 69.88 1avf h THR 186 CO 0.86 0.65 -0.77 -1.58 -0.25 0.00 0.00 175.52 174.44 1avf s GLN 187 N -3.04 0.75 -1.13 4.72 0.74 -1.26 -5.07 119.66 115.37 1avf s GLN 187 Ca -0.12 -0.54 -0.22 0.00 0.05 0.00 0.00 55.36 54.52 1avf s GLN 187 Cb 0.04 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.99 1avf s GLN 187 CO 0.85 -0.68 1.82 -1.21 -0.55 0.00 0.00 175.29 175.52 1avf s GLU 188 N 1.79 3.03 0.00 1.67 2.02 -1.26 -3.94 118.70 122.01 1avf s GLU 188 Ca -0.00 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.82 1avf s GLU 188 Cb -0.17 -5.29 0.00 0.00 0.10 0.00 0.00 34.13 28.77 1avf s GLU 188 CO -0.10 -3.18 0.00 -0.11 0.02 0.00 0.00 175.26 171.89 1avf n LEU 189 N 12.06 0.00 -4.96 1.80 0.00 -1.26 -4.83 117.00 119.81 1avf n LEU 189 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 56.01 56.17 1avf n LEU 189 Cb 0.47 0.00 0.14 0.00 0.00 0.00 0.00 43.42 44.03 1avf n LEU 189 CO 0.68 0.00 0.71 -0.31 0.00 0.00 0.00 177.39 178.47 1avf s TYR 190 N 0.00 1.75 -1.15 1.96 1.51 -1.25 -1.48 117.35 118.68 1avf s TYR 190 Ca 0.00 0.08 -0.15 0.00 -1.01 0.00 0.00 57.07 55.99 1avf s TYR 190 Cb 0.00 -3.53 0.16 0.00 -0.11 0.00 0.00 41.96 38.48 1avf s TYR 190 CO 0.00 -2.11 1.37 -1.58 -1.11 0.00 0.00 175.55 172.12 1avf s TRP 191 N -3.50 3.40 -0.12 2.71 0.52 -1.26 -4.78 118.94 115.91 1avf s TRP 191 Ca 0.69 -1.96 -0.04 0.00 0.02 0.00 0.00 56.10 54.81 1avf s TRP 191 Cb -0.05 -4.31 -0.03 0.00 -1.15 0.00 0.00 33.47 27.92 1avf s TRP 191 CO 0.48 -1.42 0.01 -1.14 0.02 0.00 0.00 176.95 174.90 1avf s GLN 192 N 1.87 3.36 0.13 4.98 0.74 -1.26 -0.66 119.66 128.82 1avf s GLN 192 Ca 0.41 -0.41 -0.01 0.00 0.05 0.00 0.00 55.36 55.39 1avf s GLN 192 Cb -0.03 -2.92 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1avf s GLN 192 CO -0.02 0.51 0.05 0.96 -0.55 0.00 0.00 175.29 176.23 1avf s ILE 193 N -0.34 0.15 0.17 -2.34 -4.36 0.70 -0.92 121.20 114.25 1avf s ILE 193 Ca 0.07 -1.91 -0.07 0.00 -0.26 0.00 0.00 60.65 58.48 1avf s ILE 193 Cb -0.12 -2.00 -0.06 0.00 1.25 0.00 0.00 42.46 41.52 1avf s ILE 193 CO 0.02 -0.51 0.44 -0.83 0.24 0.00 0.00 174.94 174.30 1avf s GLY 194 N -3.04 2.27 -0.19 6.27 0.00 -1.26 -0.28 107.32 111.08 1avf s GLY 194 Ca 0.23 -0.43 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 1avf s GLY 194 CO 0.01 -0.30 -0.02 -0.42 0.00 0.00 0.00 173.10 172.37 1avf s ILE 195 N -1.68 3.79 0.05 0.90 1.01 -0.29 -4.57 121.20 120.41 1avf s ILE 195 Ca 0.42 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 1avf s ILE 195 Cb -0.12 -2.70 -0.32 0.00 0.01 0.00 0.00 42.46 39.32 1avf s ILE 195 CO 0.22 0.44 1.06 -0.33 0.00 0.00 0.00 174.94 176.34 1avf h GLU 196 N 7.46 0.50 -2.39 2.79 5.08 -1.03 -1.30 114.58 125.68 1avf h GLU 196 Ca -0.36 -0.80 -0.07 0.00 -1.00 0.00 0.00 59.36 57.14 1avf h GLU 196 Cb 1.18 0.29 -0.18 0.00 0.50 0.00 0.00 28.75 30.54 1avf h GLU 196 CO 0.61 1.38 0.08 -1.21 -1.00 0.00 0.00 179.01 178.86 1avf s GLU 197 N -2.71 1.00 -0.14 2.33 2.02 -1.16 -4.65 118.70 115.39 1avf s GLU 197 Ca -0.08 0.04 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1avf s GLU 197 Cb 0.05 0.46 0.01 0.00 0.10 0.00 0.00 34.13 34.76 1avf s GLU 197 CO 0.93 -0.33 -0.19 0.12 0.02 0.00 0.00 175.26 175.81 1avf s PHE 198 N -1.61 2.48 0.19 1.61 5.36 -1.26 -0.70 117.98 124.05 1avf s PHE 198 Ca -0.10 -1.28 0.09 0.00 -0.96 0.00 0.00 56.93 54.68 1avf s PHE 198 Cb -0.01 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.91 1avf s PHE 198 CO 0.05 -0.62 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.61 1avf s LEU 199 N 0.98 3.03 -0.16 6.12 1.02 0.43 -1.36 118.68 128.74 1avf s LEU 199 Ca -0.04 -0.57 -0.02 0.00 0.02 0.00 0.00 54.13 53.52 1avf s LEU 199 Cb -0.15 -1.69 0.05 0.00 0.02 0.00 0.00 46.19 44.42 1avf s LEU 199 CO -0.04 0.09 0.01 -0.63 0.02 0.00 0.00 176.35 175.80 1avf s ILE 200 N -1.76 0.61 -1.08 -0.59 1.01 -0.66 -1.46 121.20 117.26 1avf s ILE 200 Ca 0.26 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1avf s ILE 200 Cb -0.09 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.40 1avf s ILE 200 CO 0.16 -0.05 0.71 0.61 0.00 0.00 0.00 174.94 176.37 1avf n GLY 201 N 5.03 -0.19 3.74 6.18 0.00 -0.82 -2.25 105.19 116.88 1avf n GLY 201 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1avf n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avf n GLY 202 N -1.51 2.51 3.74 -0.02 0.00 -1.26 -4.97 105.19 103.67 1avf n GLY 202 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1avf n GLY 202 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1avf s GLN 203 N 0.00 4.29 0.15 1.61 -2.07 -0.96 -4.99 119.66 117.70 1avf s GLN 203 Ca 0.00 0.44 -0.32 0.00 -1.82 0.00 0.00 55.36 53.66 1avf s GLN 203 Cb 0.00 -3.40 -0.12 0.00 -1.09 0.00 0.00 33.01 28.40 1avf s GLN 203 CO 0.00 0.24 1.77 0.00 -1.32 0.00 0.00 175.29 175.97 1avf n ALA 204 N 3.39 2.30 0.42 2.60 0.00 -1.26 -1.66 120.51 126.30 1avf n ALA 204 Ca -0.08 0.36 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1avf n ALA 204 Cb 0.52 -2.53 0.32 0.00 0.00 0.00 0.00 19.45 17.75 1avf n ALA 204 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1avf h SER 205 N 7.57 0.00 0.00 0.00 4.64 -1.57 -3.47 113.55 120.72 1avf h SER 205 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1avf h SER 205 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1avf h SER 205 CO 0.94 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 1avf n GLY 206 N 1.10 1.99 0.32 -0.77 0.00 -1.26 -4.85 105.19 101.72 1avf n GLY 206 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 1avf n GLY 206 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1avf h TRP 207 N 0.00 0.00 -1.07 1.61 6.55 -1.91 -0.59 115.95 120.54 1avf h TRP 207 Ca 0.00 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.27 1avf h TRP 207 Cb 0.00 0.00 -0.42 0.00 -0.86 0.00 0.00 29.16 27.88 1avf h TRP 207 CO 0.00 0.00 -0.74 0.00 -1.05 0.00 0.00 178.44 176.65 1avf h SER 209 N 2.34 0.98 -0.57 0.00 4.64 -1.40 0.11 113.55 119.66 1avf h SER 209 Ca 0.35 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 1avf h SER 209 Cb 1.27 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 1avf h SER 209 CO 0.81 0.69 0.10 -0.62 -0.87 0.00 0.00 176.83 176.95 1avf n GLU 210 N -4.50 3.91 -0.24 4.77 4.71 -1.26 -5.04 120.64 122.98 1avf n GLU 210 Ca 0.11 -3.08 0.01 0.00 -0.01 0.00 0.00 57.16 54.19 1avf n GLU 210 Cb 0.06 -2.15 -0.00 0.00 -1.01 0.00 0.00 31.44 28.34 1avf n GLU 210 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1avf n GLY 211 N 0.00 -2.91 3.71 0.62 0.00 0.37 -4.78 105.19 102.20 1avf n GLY 211 Ca 0.32 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 1avf n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1avf s GLN 213 N -3.82 1.17 0.00 0.00 -1.52 0.20 -1.14 119.66 114.56 1avf s GLN 213 Ca 0.19 -0.98 0.02 0.00 -1.95 0.00 0.00 55.36 52.64 1avf s GLN 213 Cb 0.05 -1.31 -0.01 0.00 -0.22 0.00 0.00 33.01 31.52 1avf s GLN 213 CO 0.10 0.32 -0.06 0.00 -0.25 0.00 0.00 175.29 175.40 1avf s ALA 214 N -0.96 0.47 -0.21 6.09 0.00 0.62 0.31 121.76 128.08 1avf s ALA 214 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1avf s ALA 214 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1avf s ALA 214 CO 0.02 0.09 -0.09 0.42 0.00 0.00 0.00 175.76 176.21 1avf s ILE 215 N -0.34 2.98 -0.44 0.00 1.01 -0.17 -0.21 121.20 124.03 1avf s ILE 215 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1avf s ILE 215 Cb -0.03 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 40.11 1avf s ILE 215 CO -0.00 0.43 1.03 -0.69 0.00 0.00 0.00 174.94 175.71 1avf s VAL 216 N 1.42 4.38 -0.23 2.92 1.01 0.16 -0.76 120.40 129.30 1avf s VAL 216 Ca 0.05 1.10 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1avf s VAL 216 Cb -0.14 -4.49 0.07 0.00 0.00 0.00 0.00 36.38 31.82 1avf s VAL 216 CO -0.06 -0.84 0.03 -0.62 0.00 0.00 0.00 175.10 173.62 1avf s ASP 217 N 2.24 3.41 0.03 3.32 2.15 -0.48 -4.54 116.67 122.80 1avf s ASP 217 Ca 0.42 -1.11 0.16 0.00 0.43 0.00 0.00 52.55 52.46 1avf s ASP 217 Cb -0.09 -0.79 0.70 0.00 -0.30 0.00 0.00 42.92 42.43 1avf s ASP 217 CO 0.27 -0.32 1.52 0.35 -0.17 0.00 0.00 175.17 176.82 1avf n THR 218 N 4.91 0.92 0.27 1.71 -2.24 -1.26 -1.73 114.28 116.87 1avf n THR 218 Ca -0.08 0.23 0.16 0.00 -2.27 0.00 0.00 64.05 62.09 1avf n THR 218 Cb 0.45 -0.99 0.60 0.00 -2.10 0.00 0.00 70.33 68.29 1avf n THR 218 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1avf h GLY 219 N 2.63 0.00 -4.17 3.38 0.00 -1.92 -3.44 103.07 99.54 1avf h GLY 219 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1avf h GLY 219 CO 0.00 0.00 -0.87 -1.08 0.00 0.00 0.00 176.54 174.59 1avf s THR 220 N -3.59 2.13 -0.06 4.70 -1.32 -0.70 -4.62 115.64 112.18 1avf s THR 220 Ca 0.02 -1.52 -0.17 0.00 -1.21 0.00 0.00 61.69 58.82 1avf s THR 220 Cb 0.08 -1.85 -0.30 0.00 -1.51 0.00 0.00 72.50 68.92 1avf s THR 220 CO 0.56 0.24 0.72 -1.28 -2.21 0.00 0.00 174.62 172.66 1avf h SER 221 N 4.44 0.49 -1.45 8.08 0.87 -1.85 0.12 113.55 124.25 1avf h SER 221 Ca -0.48 -0.90 -0.46 0.00 -1.23 0.00 0.00 61.79 58.72 1avf h SER 221 Cb 1.15 -0.16 0.04 0.00 -0.44 0.00 0.00 62.40 62.99 1avf h SER 221 CO 0.42 1.58 -0.10 -0.76 -0.53 0.00 0.00 176.83 177.44 1avf s LEU 222 N -7.63 3.26 -0.15 2.23 1.43 -1.26 -1.21 118.68 115.35 1avf s LEU 222 Ca -0.16 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 1avf s LEU 222 Cb 0.03 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1avf s LEU 222 CO 0.82 -1.25 1.01 -0.22 0.23 0.00 0.00 176.35 176.94 1avf s LEU 223 N -4.68 4.19 -0.24 1.79 0.20 -0.59 -2.99 118.68 116.36 1avf s LEU 223 Ca 0.60 1.45 -0.08 0.00 0.69 0.00 0.00 54.13 56.79 1avf s LEU 223 Cb -0.07 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.12 1avf s LEU 223 CO 0.38 -0.52 0.10 -0.89 -0.29 0.00 0.00 176.35 175.12 1avf s THR 224 N 2.45 4.63 -0.03 3.68 2.01 -0.23 -0.93 115.64 127.21 1avf s THR 224 Ca 0.46 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.44 1avf s THR 224 Cb -0.17 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1avf s THR 224 CO 0.13 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.56 1avf s VAL 225 N 1.44 3.00 0.12 3.82 1.01 -0.47 -1.91 120.40 127.41 1avf s VAL 225 Ca 0.06 -0.83 -0.34 0.00 0.00 0.00 0.00 61.98 60.88 1avf s VAL 225 Cb -0.15 -2.19 -0.13 0.00 0.00 0.00 0.00 36.38 33.91 1avf s VAL 225 CO 0.05 0.53 1.66 -2.65 0.00 0.00 0.00 175.10 174.69 1avf n PRO 226 N 2.13 2.27 -0.35 2.72 -0.02 -1.26 -1.33 135.00 139.16 1avf n PRO 226 Ca -0.17 0.82 0.25 0.00 -2.02 0.00 0.00 63.50 62.38 1avf n PRO 226 Cb 0.52 -2.62 0.51 0.00 -0.02 0.00 0.00 33.50 31.89 1avf n PRO 226 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1avf h GLN 227 N 6.75 0.34 -0.15 -0.52 4.15 -1.82 -1.14 115.11 122.71 1avf h GLN 227 Ca -0.45 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 58.99 1avf h GLN 227 Cb 1.25 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1avf h GLN 227 CO 0.91 0.22 0.19 -0.56 -1.93 0.00 0.00 178.83 177.66 1avf h GLN 228 N 0.35 0.00 -0.33 1.69 -0.00 -1.88 -2.00 115.11 112.94 1avf h GLN 228 Ca 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.33 1avf h GLN 228 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.19 1avf h GLN 228 CO -0.43 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.06 1avf n TYR 229 N -3.70 0.41 0.01 0.06 4.01 -0.43 -4.60 117.16 112.92 1avf n TYR 229 Ca 0.01 -0.22 -0.12 0.00 -0.16 0.00 0.00 57.90 57.41 1avf n TYR 229 Cb 0.30 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 1avf n TYR 229 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1avf h MET 230 N 4.33 0.08 -0.67 -0.72 2.86 -1.44 -1.53 114.93 117.84 1avf h MET 230 Ca 0.00 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1avf h MET 230 Cb 0.96 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 1avf h MET 230 CO 0.00 0.09 0.41 0.66 1.06 0.00 0.00 176.91 179.14 1avf h SER 231 N 0.04 0.66 -0.42 1.22 4.64 -1.81 0.29 113.55 118.17 1avf h SER 231 Ca 0.02 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1avf h SER 231 Cb 0.04 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1avf h SER 231 CO -0.00 0.46 0.05 0.00 -0.87 0.00 0.00 176.83 176.46 1avf h ALA 232 N 1.30 1.17 -0.25 5.18 0.00 -1.84 -0.72 119.26 124.09 1avf h ALA 232 Ca 0.27 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1avf h ALA 232 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1avf h ALA 232 CO -0.12 0.55 -0.40 1.25 0.00 0.00 0.00 179.25 180.53 1avf h LEU 233 N 0.74 0.64 -0.84 0.00 5.85 -0.16 -0.36 115.31 121.17 1avf h LEU 233 Ca 0.15 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 1avf h LEU 233 Cb 0.38 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1avf h LEU 233 CO 0.01 0.97 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.45 1avf h LEU 234 N 0.50 0.06 -0.16 2.25 3.38 0.03 -2.55 115.31 118.82 1avf h LEU 234 Ca 0.04 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1avf h LEU 234 Cb 0.91 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1avf h LEU 234 CO 0.08 0.61 -0.53 -0.61 0.09 0.00 0.00 178.44 178.07 1avf h GLN 235 N 0.04 0.65 0.00 1.13 4.15 -0.75 0.48 115.11 120.81 1avf h GLN 235 Ca -0.00 -0.48 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1avf h GLN 235 Cb 1.00 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1avf h GLN 235 CO 0.08 1.10 -0.02 0.00 -1.93 0.00 0.00 178.83 178.05 1avf h ALA 236 N 0.55 1.73 -0.04 3.38 0.00 -0.83 -1.95 119.26 122.10 1avf h ALA 236 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1avf h ALA 236 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1avf h ALA 236 CO 0.11 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1avf n THR 237 N -4.17 0.04 -2.69 0.00 -2.24 -0.98 -4.37 114.28 99.87 1avf n THR 237 Ca -0.03 -0.52 -0.21 0.00 -2.27 0.00 0.00 64.05 61.02 1avf n THR 237 Cb 0.11 1.26 0.01 0.00 -2.10 0.00 0.00 70.33 69.61 1avf n THR 237 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1avf n GLY 238 N 0.81 -0.51 3.90 3.38 0.00 -0.15 -4.95 105.19 107.67 1avf n GLY 238 Ca 0.09 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1avf n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1avf s ALA 239 N -3.08 3.62 -0.10 4.61 0.00 -0.02 -4.75 121.76 122.03 1avf s ALA 239 Ca 0.14 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1avf s ALA 239 Cb -0.06 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.76 1avf s ALA 239 CO 0.17 0.27 -0.14 -1.14 0.00 0.00 0.00 175.76 174.92 1avf s GLN 240 N -3.47 2.07 0.09 0.00 2.00 0.63 -4.74 119.66 116.24 1avf s GLN 240 Ca 0.44 -0.52 -0.31 0.00 -2.00 0.00 0.00 55.36 52.98 1avf s GLN 240 Cb -0.11 -1.75 -0.07 0.00 0.80 0.00 0.00 33.01 31.88 1avf s GLN 240 CO 0.29 -0.03 1.33 -2.00 -0.50 0.00 0.00 175.29 174.38 1avf s GLU 241 N 0.90 4.35 0.58 1.67 2.12 -1.26 -1.36 118.70 125.70 1avf s GLU 241 Ca -0.09 1.97 0.00 0.00 0.36 0.00 0.00 54.97 57.21 1avf s GLU 241 Cb -0.15 -3.31 0.11 0.00 0.26 0.00 0.00 34.13 31.05 1avf s GLU 241 CO 0.00 -0.39 0.79 -0.40 -0.54 0.00 0.00 175.26 174.72 1avf n ASP 242 N 4.06 1.11 0.21 -1.70 5.68 0.01 -4.93 116.55 120.99 1avf n ASP 242 Ca 0.11 -1.92 0.15 0.00 -0.50 0.00 0.00 54.79 52.62 1avf n ASP 242 Cb 0.44 -0.51 0.73 0.00 -1.14 0.00 0.00 41.12 40.63 1avf n ASP 242 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1avf h GLU 243 N 0.00 0.00 -0.01 0.11 9.09 -1.96 -1.75 114.58 120.06 1avf h GLU 243 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1avf h GLU 243 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 1avf h GLU 243 CO 0.28 0.00 -0.28 0.66 0.05 0.00 0.00 179.01 179.72 1avf n TYR 244 N -2.54 0.00 -0.52 2.06 4.01 -1.26 -4.92 117.16 113.99 1avf n TYR 244 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1avf n TYR 244 Cb 0.11 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1avf n TYR 244 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1avf n GLY 245 N 1.35 0.75 3.82 2.72 0.00 -0.66 -5.04 105.19 108.12 1avf n GLY 245 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1avf n GLY 245 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1avf s GLN 246 N -0.48 4.27 -0.80 1.61 -0.21 -1.26 -4.81 119.66 117.99 1avf s GLN 246 Ca 0.00 1.04 -0.13 0.00 0.02 0.00 0.00 55.36 56.29 1avf s GLN 246 Cb 0.00 -2.50 0.21 0.00 1.00 0.00 0.00 33.01 31.73 1avf s GLN 246 CO 0.00 0.15 0.73 -0.06 -2.12 0.00 0.00 175.29 173.99 1avf s PHE 247 N -1.90 3.72 0.21 0.91 0.08 -1.26 -0.81 117.98 118.93 1avf s PHE 247 Ca 0.54 -2.09 -0.30 0.00 0.12 0.00 0.00 56.93 55.20 1avf s PHE 247 Cb -0.13 -3.74 -0.08 0.00 -0.57 0.00 0.00 43.02 38.50 1avf s PHE 247 CO 0.18 -0.97 1.21 -0.51 -0.10 0.00 0.00 175.22 175.03 1avf s LEU 248 N 0.13 4.45 0.05 -0.37 1.43 -0.46 -0.33 118.68 123.57 1avf s LEU 248 Ca 0.18 2.29 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 1avf s LEU 248 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1avf s LEU 248 CO -0.08 -0.38 -0.09 0.68 0.23 0.00 0.00 176.35 176.71 1avf s VAL 249 N -0.23 0.66 0.21 -1.59 -7.23 -0.81 -0.27 120.40 111.14 1avf s VAL 249 Ca 0.52 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 1avf s VAL 249 Cb -0.34 -0.73 -0.09 0.00 0.56 0.00 0.00 36.38 35.78 1avf s VAL 249 CO 0.38 -0.37 1.41 0.21 -0.31 0.00 0.00 175.10 176.42 1avf s ASN 250 N -1.66 6.74 0.57 4.85 3.84 -1.26 -3.97 114.94 124.05 1avf s ASN 250 Ca -0.08 2.54 0.34 0.00 0.21 0.00 0.00 52.86 55.87 1avf s ASN 250 Cb -0.10 -2.61 1.67 0.00 -0.55 0.00 0.00 41.25 39.66 1avf s ASN 250 CO 0.01 -0.65 2.11 0.00 -2.79 0.00 0.00 177.10 175.78 1avf h ASN 252 N 0.00 0.00 1.63 0.00 -0.00 -2.03 -3.31 115.58 111.88 1avf h ASN 252 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.25 1avf h ASN 252 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1avf h ASN 252 CO 0.01 0.59 -0.26 0.77 -0.00 0.00 0.00 177.43 178.54 1avf h SER 253 N 0.00 0.00 -0.41 1.15 4.64 -1.90 -3.42 113.55 113.62 1avf h SER 253 Ca -0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1avf h SER 253 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 1avf h SER 253 CO 0.08 0.26 -0.23 -0.38 -0.87 0.00 0.00 176.83 175.68 1avf n ILE 254 N -3.18 -0.27 0.32 0.95 5.41 -1.25 0.20 119.36 121.53 1avf n ILE 254 Ca 0.03 0.99 0.20 0.00 1.00 0.00 0.00 62.75 64.96 1avf n ILE 254 Cb 0.61 -1.23 1.07 0.00 -0.71 0.00 0.00 39.64 39.38 1avf n ILE 254 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1avf h GLN 255 N 0.00 0.00 -0.01 0.38 1.08 -1.89 -1.64 115.11 113.03 1avf h GLN 255 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1avf h GLN 255 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1avf h GLN 255 CO -0.39 0.01 -0.25 0.09 -0.95 0.00 0.00 178.83 177.34 1avf n ASN 256 N -3.36 0.80 -4.81 1.46 3.02 0.13 -4.94 115.26 107.56 1avf n ASN 256 Ca -0.03 -0.69 -0.32 0.00 -0.03 0.00 0.00 54.58 53.51 1avf n ASN 256 Cb 0.09 0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1avf n ASN 256 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1avf s LEU 257 N -2.58 3.29 0.70 3.41 1.43 -0.62 -5.03 118.68 119.29 1avf s LEU 257 Ca 0.23 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1avf s LEU 257 Cb 0.19 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1avf s LEU 257 CO 0.54 -1.34 1.07 -2.16 0.23 0.00 0.00 176.35 174.68 1avf s PRO 258 N -4.60 2.88 0.10 1.29 0.04 -1.26 -4.68 135.00 128.77 1avf s PRO 258 Ca 0.61 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 1avf s PRO 258 Cb -0.15 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1avf s PRO 258 CO 0.47 -1.10 0.65 -1.12 0.04 0.00 0.00 177.00 175.94 1avf s SER 259 N -3.96 7.18 -0.34 6.66 0.01 -1.26 -4.29 113.70 117.69 1avf s SER 259 Ca 0.58 1.39 -0.11 0.00 1.31 0.00 0.00 55.95 59.12 1avf s SER 259 Cb -0.13 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1avf s SER 259 CO 0.54 0.24 0.20 -0.76 0.41 0.00 0.00 173.24 173.87 1avf s LEU 260 N -1.04 4.43 -0.10 2.44 1.43 0.67 -1.94 118.68 124.58 1avf s LEU 260 Ca 0.32 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1avf s LEU 260 Cb -0.21 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1avf s LEU 260 CO 0.22 -0.27 -0.14 -0.89 0.23 0.00 0.00 176.35 175.50 1avf s THR 261 N 1.63 3.04 -0.15 5.49 2.01 -0.54 -0.68 115.64 126.44 1avf s THR 261 Ca 0.04 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 1avf s THR 261 Cb -0.18 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1avf s THR 261 CO 0.08 0.55 0.00 -0.36 -0.69 0.00 0.00 174.62 174.20 1avf s PHE 262 N -0.10 3.13 -0.30 4.92 0.08 -1.00 -0.43 117.98 124.29 1avf s PHE 262 Ca -0.02 -0.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.89 1avf s PHE 262 Cb -0.14 -1.95 0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1avf s PHE 262 CO 0.04 0.15 0.10 0.42 -0.10 0.00 0.00 175.22 175.82 1avf s ILE 263 N 0.05 4.12 -0.13 0.64 1.01 0.12 -0.12 121.20 126.90 1avf s ILE 263 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.04 1avf s ILE 263 Cb -0.13 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.23 1avf s ILE 263 CO 0.02 0.07 -0.16 -0.63 0.00 0.00 0.00 174.94 174.24 1avf s ILE 264 N 1.53 1.63 -1.47 2.92 1.01 0.78 -0.41 121.20 127.19 1avf s ILE 264 Ca 0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 1avf s ILE 264 Cb -0.17 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 40.85 1avf s ILE 264 CO 0.03 0.47 0.66 -3.20 0.00 0.00 0.00 174.94 172.90 1avf n ASN 265 N 4.39 -1.93 0.00 3.58 5.15 -1.26 -0.66 115.26 124.53 1avf n ASN 265 Ca -0.19 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 52.87 1avf n ASN 265 Cb 0.51 -3.36 0.00 0.00 -0.53 0.00 0.00 39.78 36.40 1avf n ASN 265 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1avf n GLY 266 N -1.73 0.58 3.46 8.20 0.00 -1.26 -5.00 105.19 109.44 1avf n GLY 266 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1avf n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1avf s VAL 267 N -2.62 3.02 -0.10 1.61 1.01 0.17 -5.10 120.40 118.39 1avf s VAL 267 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 1avf s VAL 267 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1avf s VAL 267 CO 0.00 0.59 0.52 -1.61 0.00 0.00 0.00 175.10 174.59 1avf s GLU 268 N -0.66 4.33 -0.59 2.72 2.02 -1.26 -0.16 118.70 125.10 1avf s GLU 268 Ca 0.10 0.53 0.04 0.00 0.02 0.00 0.00 54.97 55.67 1avf s GLU 268 Cb -0.11 -3.42 0.15 0.00 0.10 0.00 0.00 34.13 30.85 1avf s GLU 268 CO 0.01 0.19 0.36 -0.06 0.02 0.00 0.00 175.26 175.78 1avf s PHE 269 N 0.50 3.14 0.93 1.61 0.08 0.83 -4.98 117.98 120.09 1avf s PHE 269 Ca 0.28 -3.14 -0.12 0.00 0.12 0.00 0.00 56.93 54.08 1avf s PHE 269 Cb -0.16 -2.59 0.15 0.00 -0.57 0.00 0.00 43.02 39.85 1avf s PHE 269 CO 0.12 -0.66 1.09 -1.25 -0.10 0.00 0.00 175.22 174.42 1avf s PRO 270 N -0.73 0.96 -0.30 0.24 0.04 -1.26 -2.36 135.00 131.58 1avf s PRO 270 Ca 0.21 0.86 -0.00 0.00 0.04 0.00 0.00 61.00 62.11 1avf s PRO 270 Cb -0.15 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.75 1avf s PRO 270 CO -0.08 -2.46 0.28 -1.17 0.04 0.00 0.00 177.00 173.61 1avf s LEU 271 N -6.37 -0.07 0.82 -3.56 2.96 0.14 -4.93 118.68 107.66 1avf s LEU 271 Ca 0.64 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1avf s LEU 271 Cb -0.19 0.37 0.08 0.00 0.50 0.00 0.00 46.19 46.96 1avf s LEU 271 CO 0.58 -0.38 1.11 -2.16 -1.32 0.00 0.00 176.35 174.18 1avf s PRO 272 N 2.16 1.89 0.40 0.98 0.04 -1.26 -0.24 135.00 138.97 1avf s PRO 272 Ca 0.11 0.54 0.20 0.00 0.04 0.00 0.00 61.00 61.89 1avf s PRO 272 Cb -0.15 -1.90 1.15 0.00 0.04 0.00 0.00 34.50 33.64 1avf s PRO 272 CO -0.28 -1.74 1.75 -1.35 0.04 0.00 0.00 177.00 175.42 1avf h PRO 273 N -1.17 0.34 0.00 0.56 0.11 -1.84 0.28 132.00 130.28 1avf h PRO 273 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1avf h PRO 273 Cb 1.28 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1avf h PRO 273 CO 0.60 0.22 -0.04 0.66 -0.21 0.00 0.00 178.00 179.24 1avf h SER 274 N 0.35 0.00 1.07 -2.05 4.64 -1.89 0.56 113.55 116.24 1avf h SER 274 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1avf h SER 274 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1avf h SER 274 CO -0.31 0.04 -0.84 0.28 -0.87 0.00 0.00 176.83 175.13 1avf h SER 275 N 0.00 0.00 -0.00 4.97 0.02 -0.79 -3.38 113.55 114.37 1avf h SER 275 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1avf h SER 275 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1avf h SER 275 CO 0.00 0.02 -0.13 0.00 -1.14 0.00 0.00 176.83 175.58 1avf n TYR 276 N -2.62 0.00 -3.63 3.45 0.18 -1.00 -4.82 117.16 108.71 1avf n TYR 276 Ca 0.01 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.42 1avf n TYR 276 Cb 0.53 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.42 1avf n TYR 276 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1avf s ILE 277 N -1.08 5.32 -0.02 -3.48 -1.09 0.16 0.03 121.20 121.04 1avf s ILE 277 Ca 0.02 0.46 0.02 0.00 -2.23 0.00 0.00 60.65 58.93 1avf s ILE 277 Cb 0.03 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1avf s ILE 277 CO 0.13 0.47 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.50 1avf s LEU 278 N -0.06 3.29 -0.46 2.97 1.43 -0.13 -4.86 118.68 120.86 1avf s LEU 278 Ca 0.16 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1avf s LEU 278 Cb -0.13 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.37 1avf s LEU 278 CO 0.04 0.30 0.29 -0.55 0.23 0.00 0.00 176.35 176.67 1avf s SER 279 N -1.30 5.46 -0.03 2.29 0.15 -1.26 -0.94 113.70 118.07 1avf s SER 279 Ca 0.17 -2.07 -0.19 0.00 0.70 0.00 0.00 55.95 54.55 1avf s SER 279 Cb -0.11 -1.91 -0.12 0.00 -1.71 0.00 0.00 66.02 62.17 1avf s SER 279 CO 0.07 -0.59 0.80 0.78 1.20 0.00 0.00 173.24 175.50 1avf h ASN 280 N 8.11 -0.41 0.00 5.45 4.21 -1.76 -3.48 115.58 127.70 1avf h ASN 280 Ca -0.15 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.27 1avf h ASN 280 Cb 1.05 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 1avf h ASN 280 CO 0.76 0.04 0.00 -0.46 -1.29 0.00 0.00 177.43 176.48 1avf n ASN 281 N -5.11 0.00 0.00 5.81 2.04 -1.26 -4.93 115.26 111.81 1avf n ASN 281 Ca -0.08 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.06 1avf n ASN 281 Cb 0.25 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 1avf n ASN 281 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1avf n GLY 282 N 0.00 2.50 3.17 4.83 0.00 -1.26 -4.93 105.19 109.50 1avf n GLY 282 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1avf n GLY 282 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1avf s TYR 283 N -2.12 0.17 0.10 1.61 1.13 -1.26 -5.01 117.35 111.97 1avf s TYR 283 Ca 0.00 -0.52 0.09 0.00 -1.41 0.00 0.00 57.07 55.23 1avf s TYR 283 Cb 0.00 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 1avf s TYR 283 CO 0.00 -0.46 -0.21 0.00 -2.51 0.00 0.00 175.55 172.37 1avf s THR 285 N -1.04 0.57 -0.20 0.00 -4.23 -0.12 -1.93 115.64 108.69 1avf s THR 285 Ca 0.16 -1.24 -0.28 0.00 -1.18 0.00 0.00 61.69 59.15 1avf s THR 285 Cb -0.10 -0.81 -0.00 0.00 1.34 0.00 0.00 72.50 72.93 1avf s THR 285 CO 0.07 -0.47 0.97 -0.69 -0.54 0.00 0.00 174.62 173.96 1avf s VAL 286 N -1.80 4.75 -0.68 2.29 1.01 0.55 -0.95 120.40 125.57 1avf s VAL 286 Ca -0.06 1.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 1avf s VAL 286 Cb -0.07 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1avf s VAL 286 CO -0.01 -0.10 2.41 0.61 0.00 0.00 0.00 175.10 178.02 1avf n GLY 287 N 3.37 2.99 3.27 4.51 0.00 0.10 -4.52 105.19 114.92 1avf n GLY 287 Ca 0.09 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1avf n GLY 287 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1avf s VAL 288 N 2.58 1.18 0.01 1.61 -7.23 -1.26 -1.55 120.40 115.75 1avf s VAL 288 Ca 0.46 -2.07 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 1avf s VAL 288 Cb 0.15 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 35.17 1avf s VAL 288 CO -0.02 -0.65 0.43 -1.83 -0.31 0.00 0.00 175.10 172.72 1avf s GLU 289 N -3.76 0.87 0.48 4.82 -1.05 -0.11 -4.85 118.70 115.09 1avf s GLU 289 Ca 0.20 -0.20 -0.11 0.00 -0.15 0.00 0.00 54.97 54.71 1avf s GLU 289 Cb 0.03 0.39 -0.06 0.00 -0.44 0.00 0.00 34.13 34.06 1avf s GLU 289 CO 0.03 -0.28 0.86 -1.25 0.95 0.00 0.00 175.26 175.56 1avf s PRO 290 N -1.92 3.73 -0.02 -4.83 0.04 -1.26 -1.37 135.00 129.38 1avf s PRO 290 Ca -0.09 0.56 0.08 0.00 0.04 0.00 0.00 61.00 61.59 1avf s PRO 290 Cb -0.02 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1avf s PRO 290 CO 0.02 -0.20 -0.25 -0.08 0.04 0.00 0.00 177.00 176.52 1avf s THR 291 N -2.63 1.98 -2.48 1.26 -1.32 -0.44 -4.80 115.64 107.21 1avf s THR 291 Ca 0.53 -1.07 0.23 0.00 -1.21 0.00 0.00 61.69 60.16 1avf s THR 291 Cb -0.10 -1.64 0.42 0.00 -1.51 0.00 0.00 72.50 69.66 1avf s THR 291 CO 0.38 0.56 1.42 -1.22 -2.21 0.00 0.00 174.62 173.55 1avf n TYR 292 N 2.46 0.43 -1.20 9.09 4.02 -1.26 -2.35 117.16 128.35 1avf n TYR 292 Ca -0.16 -0.22 -0.34 0.00 -0.01 0.00 0.00 57.90 57.17 1avf n TYR 292 Cb 0.51 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.95 1avf n TYR 292 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1avf n LEU 293 N 1.31 4.66 -4.95 7.72 4.32 -1.26 -4.99 117.00 123.81 1avf n LEU 293 Ca 0.19 0.62 -0.23 0.00 -0.02 0.00 0.00 56.01 56.57 1avf n LEU 293 Cb 0.57 -1.52 0.02 0.00 -1.62 0.00 0.00 43.42 40.87 1avf n LEU 293 CO 0.15 -1.59 0.30 -0.94 -1.22 0.00 0.00 177.39 174.09 1avf s SER 294 N -2.00 5.75 0.61 -1.43 1.04 -1.26 -4.86 113.70 111.56 1avf s SER 294 Ca 0.75 0.27 -0.16 0.00 0.48 0.00 0.00 55.95 57.29 1avf s SER 294 Cb -0.31 -1.46 -0.03 0.00 0.10 0.00 0.00 66.02 64.33 1avf s SER 294 CO 0.49 -0.77 1.08 -0.94 0.98 0.00 0.00 173.24 174.07 1avf s SER 295 N -4.25 5.58 -0.34 7.02 1.04 -1.26 -4.44 113.70 117.05 1avf s SER 295 Ca 0.50 1.88 -0.04 0.00 0.48 0.00 0.00 55.95 58.77 1avf s SER 295 Cb -0.10 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.54 1avf s SER 295 CO 0.38 -1.31 0.08 -1.10 0.98 0.00 0.00 173.24 172.28 1avf s GLN 296 N -4.06 2.39 -1.18 4.02 -0.21 0.48 -4.37 119.66 116.72 1avf s GLN 296 Ca 0.65 -1.37 -0.03 0.00 0.02 0.00 0.00 55.36 54.62 1avf s GLN 296 Cb -0.18 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.47 1avf s GLN 296 CO 0.38 -0.75 0.46 0.09 -2.12 0.00 0.00 175.29 173.35 1avf n ASN 297 N 4.68 -5.02 0.00 5.90 3.02 -1.26 -2.09 115.26 120.49 1avf n ASN 297 Ca -0.10 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1avf n ASN 297 Cb 0.43 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 1avf n ASN 297 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1avf n GLY 298 N -1.33 0.77 3.61 7.41 0.00 -1.26 -5.04 105.19 109.34 1avf n GLY 298 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1avf n GLY 298 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1avf s GLN 299 N -0.26 4.01 0.36 1.61 -0.21 -0.89 -4.94 119.66 119.33 1avf s GLN 299 Ca 0.00 -0.12 -0.28 0.00 0.02 0.00 0.00 55.36 54.97 1avf s GLN 299 Cb 0.00 -3.64 -0.11 0.00 1.00 0.00 0.00 33.01 30.27 1avf s GLN 299 CO 0.00 -0.19 1.45 -2.14 -2.12 0.00 0.00 175.29 172.30 1avf s PRO 300 N 1.79 4.17 -0.20 2.91 0.02 -1.26 -0.39 135.00 142.04 1avf s PRO 300 Ca 0.11 2.48 -0.07 0.00 0.02 0.00 0.00 61.00 63.55 1avf s PRO 300 Cb -0.16 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 1avf s PRO 300 CO 0.10 -0.46 0.06 -1.17 -0.33 0.00 0.00 177.00 175.20 1avf s LEU 301 N -1.86 3.67 0.20 -5.54 2.96 -1.26 -0.63 118.68 116.23 1avf s LEU 301 Ca 0.53 -0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1avf s LEU 301 Cb -0.45 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1avf s LEU 301 CO 0.59 0.12 0.01 0.26 -1.32 0.00 0.00 176.35 176.01 1avf s TRP 302 N 0.69 2.82 -0.21 5.38 0.52 0.15 -4.11 118.94 124.17 1avf s TRP 302 Ca 0.03 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 56.01 1avf s TRP 302 Cb -0.13 -1.33 0.04 0.00 -1.15 0.00 0.00 33.47 30.90 1avf s TRP 302 CO 0.02 0.54 -0.16 0.42 0.02 0.00 0.00 176.95 177.79 1avf s ILE 303 N -1.91 2.08 -0.70 2.03 1.01 -0.80 -1.00 121.20 121.91 1avf s ILE 303 Ca 0.29 -1.21 -0.24 0.00 0.00 0.00 0.00 60.65 59.49 1avf s ILE 303 Cb -0.08 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.43 1avf s ILE 303 CO 0.19 0.30 1.09 -0.76 0.00 0.00 0.00 174.94 175.76 1avf s LEU 304 N 1.22 3.94 0.00 2.97 1.43 0.06 -1.07 118.68 127.24 1avf s LEU 304 Ca -0.01 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1avf s LEU 304 Cb -0.16 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1avf s LEU 304 CO -0.10 -1.58 0.00 0.61 0.23 0.00 0.00 176.35 175.51 1avf n GLY 305 N 5.37 0.77 0.12 -3.19 0.00 -1.16 -1.38 105.19 105.73 1avf n GLY 305 Ca -0.00 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.26 1avf n GLY 305 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1avf n ASP 306 N -0.37 0.63 -0.26 1.61 5.68 0.42 -1.60 116.55 122.66 1avf n ASP 306 Ca 0.00 0.66 -0.04 0.00 -0.50 0.00 0.00 54.79 54.91 1avf n ASP 306 Cb 0.00 -0.79 0.07 0.00 -1.14 0.00 0.00 41.12 39.26 1avf n ASP 306 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1avf h VAL 307 N 0.00 1.15 -0.16 2.12 2.07 -1.44 0.18 116.25 120.17 1avf h VAL 307 Ca 0.00 -0.32 -0.20 0.00 0.82 0.00 0.00 66.70 67.00 1avf h VAL 307 Cb 0.35 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1avf h VAL 307 CO 0.00 0.17 -0.67 0.15 0.02 0.00 0.00 177.57 177.24 1avf h PHE 308 N 0.94 1.00 0.00 1.57 3.57 -1.58 -3.22 116.94 119.21 1avf h PHE 308 Ca 0.28 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 1avf h PHE 308 Cb -0.05 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1avf h PHE 308 CO -0.03 1.24 -0.07 -0.07 -2.23 0.00 0.00 178.31 177.16 1avf h LEU 309 N 0.46 0.00 -1.01 0.59 3.38 -0.79 -1.51 115.31 116.43 1avf h LEU 309 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1avf h LEU 309 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1avf h LEU 309 CO 0.14 0.07 -0.17 0.03 0.09 0.00 0.00 178.44 178.60 1avf h ARG 310 N 0.00 0.00 0.00 1.13 3.08 -0.68 -3.06 114.38 114.85 1avf h ARG 310 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1avf h ARG 310 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1avf h ARG 310 CO 0.01 0.17 -1.82 0.43 -1.07 0.00 0.00 179.97 177.69 1avf n SER 311 N -3.28 0.49 -3.90 7.04 7.64 -0.67 -4.79 113.62 116.15 1avf n SER 311 Ca 0.01 0.22 -0.25 0.00 1.01 0.00 0.00 58.87 59.86 1avf n SER 311 Cb 0.43 0.64 -0.17 0.00 -1.01 0.00 0.00 64.21 64.10 1avf n SER 311 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1avf s TYR 312 N -2.84 1.25 0.33 1.43 2.02 -0.66 -1.61 117.35 117.28 1avf s TYR 312 Ca -0.06 -0.55 -0.29 0.00 -0.37 0.00 0.00 57.07 55.80 1avf s TYR 312 Cb 0.09 -1.07 -0.11 0.00 -0.40 0.00 0.00 41.96 40.46 1avf s TYR 312 CO 0.83 -0.41 1.46 -0.47 -1.57 0.00 0.00 175.55 175.39 1avf s TYR 313 N 1.53 2.78 -0.03 2.71 5.04 0.12 -4.48 117.35 125.02 1avf s TYR 313 Ca 0.01 1.12 0.06 0.00 -2.44 0.00 0.00 57.07 55.82 1avf s TYR 313 Cb -0.13 -3.93 -0.01 0.00 0.35 0.00 0.00 41.96 38.24 1avf s TYR 313 CO -0.05 -2.82 -0.22 -1.54 -1.34 0.00 0.00 175.55 169.58 1avf s SER 314 N -0.02 2.64 -0.10 4.32 1.04 -0.93 -1.68 113.70 118.98 1avf s SER 314 Ca 0.55 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.58 1avf s SER 314 Cb -0.45 -0.49 -0.01 0.00 0.10 0.00 0.00 66.02 65.17 1avf s SER 314 CO 0.55 0.24 -0.17 -0.69 0.98 0.00 0.00 173.24 174.15 1avf s VAL 315 N -0.32 2.76 -0.22 5.02 1.01 0.48 -0.78 120.40 128.35 1avf s VAL 315 Ca 0.03 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1avf s VAL 315 Cb -0.10 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1avf s VAL 315 CO 0.01 0.55 -0.10 -0.31 0.00 0.00 0.00 175.10 175.25 1avf s TYR 316 N 0.01 2.64 -0.39 5.22 1.51 0.19 0.27 117.35 126.80 1avf s TYR 316 Ca -0.06 -1.81 -0.03 0.00 -1.01 0.00 0.00 57.07 54.16 1avf s TYR 316 Cb -0.15 -1.71 0.10 0.00 -0.11 0.00 0.00 41.96 40.09 1avf s TYR 316 CO 0.05 -0.79 0.17 0.34 -1.11 0.00 0.00 175.55 174.21 1avf s ASP 317 N 1.32 5.20 0.37 2.29 -1.08 -0.60 -1.30 116.67 122.88 1avf s ASP 317 Ca -0.04 -1.89 0.20 0.00 -0.52 0.00 0.00 52.55 50.30 1avf s ASP 317 Cb -0.18 -1.81 0.61 0.00 -1.46 0.00 0.00 42.92 40.08 1avf s ASP 317 CO -0.07 -0.49 1.69 -0.07 0.52 0.00 0.00 175.17 176.75 1avf h LEU 318 N 8.04 0.00 -0.12 -1.34 3.38 -1.62 0.67 115.31 124.33 1avf h LEU 318 Ca -0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1avf h LEU 318 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1avf h LEU 318 CO 0.67 0.35 -0.03 1.23 0.09 0.00 0.00 178.44 180.75 1avf h GLY 319 N 2.42 0.26 -2.44 0.83 0.00 -1.90 -3.27 103.07 98.96 1avf h GLY 319 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1avf h GLY 319 CO 0.05 0.20 0.00 0.70 0.00 0.00 0.00 176.54 177.48 1avf n ASN 320 N -4.73 3.67 -3.72 0.19 3.02 -1.20 -5.00 115.26 107.49 1avf n ASN 320 Ca -0.06 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.20 1avf n ASN 320 Cb 0.25 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1avf n ASN 320 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1avf n ASN 321 N 1.52 -5.26 -3.68 6.41 4.13 0.19 -4.88 115.26 113.69 1avf n ASN 321 Ca 0.21 -0.97 -0.12 0.00 1.68 0.00 0.00 54.58 55.38 1avf n ASN 321 Cb 0.60 -2.89 -0.06 0.00 -1.54 0.00 0.00 39.78 35.89 1avf n ASN 321 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1avf s ARG 322 N -5.77 0.94 -0.05 3.52 1.70 -0.95 -1.21 118.95 117.13 1avf s ARG 322 Ca 0.34 -0.48 0.04 0.00 -0.47 0.00 0.00 55.73 55.16 1avf s ARG 322 Cb -0.14 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1avf s ARG 322 CO 0.88 -0.33 -0.15 0.08 -1.08 0.00 0.00 175.30 174.70 1avf s VAL 323 N -2.84 2.99 -0.01 4.99 1.01 -0.26 -1.55 120.40 124.73 1avf s VAL 323 Ca -0.03 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1avf s VAL 323 Cb -0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1avf s VAL 323 CO -0.05 0.58 -0.26 -0.83 0.00 0.00 0.00 175.10 174.55 1avf s GLY 324 N -0.74 1.30 0.03 4.51 0.00 0.14 -0.75 107.32 111.81 1avf s GLY 324 Ca 0.11 -1.15 0.06 0.00 0.00 0.00 0.00 44.72 43.75 1avf s GLY 324 CO 0.00 -0.97 -0.17 -1.36 0.00 0.00 0.00 173.10 170.61 1avf s PHE 325 N -0.65 1.49 -0.08 1.90 0.08 0.33 -0.39 117.98 120.67 1avf s PHE 325 Ca 0.10 -0.34 -0.16 0.00 0.12 0.00 0.00 56.93 56.66 1avf s PHE 325 Cb -0.10 -0.90 0.03 0.00 -0.57 0.00 0.00 43.02 41.48 1avf s PHE 325 CO -0.00 0.04 0.38 0.00 -0.10 0.00 0.00 175.22 175.53 1avf s ALA 326 N -0.70 -0.95 0.02 5.36 0.00 -0.68 -0.04 121.76 124.77 1avf s ALA 326 Ca 0.05 0.76 -0.34 0.00 0.00 0.00 0.00 51.96 52.43 1avf s ALA 326 Cb -0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 23.12 22.65 1avf s ALA 326 CO 0.01 -0.24 1.71 2.41 0.00 0.00 0.00 175.76 179.66 1avf n THR 327 N 1.97 0.28 -2.09 0.00 -1.04 -1.23 0.11 114.28 112.29 1avf n THR 327 Ca -0.18 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 1avf n THR 327 Cb 0.57 -1.63 -0.02 0.00 -1.82 0.00 0.00 70.33 67.42 1avf n THR 327 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1avf s ALA 328 N 2.47 3.56 -2.00 2.41 0.00 -0.63 -0.65 121.76 126.92 1avf s ALA 328 Ca 0.86 1.26 0.29 0.00 0.00 0.00 0.00 51.96 54.37 1avf s ALA 328 Cb -0.72 -3.51 1.71 0.00 0.00 0.00 0.00 23.12 20.60 1avf s ALA 328 CO 0.46 -0.66 2.05 0.00 0.00 0.00 0.00 175.76 177.61