#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1air n THR 2 N 0.00 0.19 -2.39 0.00 -2.24 -1.26 -4.27 114.28 104.31 1air n THR 2 Ca 0.00 -0.60 -0.43 0.00 -2.27 0.00 0.00 64.05 60.76 1air n THR 2 Cb 0.00 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1air n THR 2 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1air s ASP 3 N -1.26 6.93 0.00 3.42 2.15 -1.26 -1.99 116.67 124.66 1air s ASP 3 Ca 0.21 1.75 0.09 0.00 0.43 0.00 0.00 52.55 55.04 1air s ASP 3 Cb 0.14 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 1air s ASP 3 CO 0.20 -0.76 0.58 0.35 -0.17 0.00 0.00 175.17 175.37 1air n THR 4 N 5.31 0.00 -0.82 1.71 -2.24 -1.25 -4.96 114.28 112.02 1air n THR 4 Ca 0.14 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1air n THR 4 Cb 0.45 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1air n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1air n GLY 5 N 0.89 0.54 0.00 3.38 0.00 -1.26 -4.98 105.19 103.76 1air n GLY 5 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1air n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1air n GLY 6 N -2.82 2.24 0.31 -0.02 0.00 -1.26 -4.90 105.19 98.73 1air n GLY 6 Ca 0.00 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 45.01 1air n GLY 6 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1air h TYR 7 N 0.97 0.38 -3.04 1.61 0.05 -1.84 -3.42 116.97 111.68 1air h TYR 7 Ca 0.00 0.01 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1air h TYR 7 Cb 0.00 -0.13 0.01 0.00 1.01 0.00 0.00 36.73 37.62 1air h TYR 7 CO 0.00 0.23 0.70 0.00 -1.05 0.00 0.00 178.16 178.04 1air s ALA 8 N -5.38 3.53 -0.47 3.88 0.00 -1.26 -4.73 121.76 117.33 1air s ALA 8 Ca -0.07 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1air s ALA 8 Cb 0.18 -3.52 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1air s ALA 8 CO 0.72 -0.64 0.22 0.00 0.00 0.00 0.00 175.76 176.06 1air s ALA 9 N 1.45 3.21 0.02 0.00 0.00 -1.26 -3.97 121.76 121.21 1air s ALA 9 Ca 0.62 -2.94 -0.22 0.00 0.00 0.00 0.00 51.96 49.42 1air s ALA 9 Cb -0.33 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.61 1air s ALA 9 CO 0.29 -1.90 0.49 -0.08 0.00 0.00 0.00 175.76 174.55 1air s THR 10 N 0.32 0.03 -1.10 0.00 -1.32 -0.84 -4.96 115.64 107.77 1air s THR 10 Ca 0.14 -0.29 0.09 0.00 -1.21 0.00 0.00 61.69 60.42 1air s THR 10 Cb -0.22 -0.91 0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1air s THR 10 CO -0.04 -0.16 0.78 0.00 -2.21 0.00 0.00 174.62 172.99 1air n ALA 11 N 0.67 2.49 -0.87 11.08 0.00 -1.26 -4.51 120.51 128.10 1air n ALA 11 Ca -0.19 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1air n ALA 11 Cb 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1air n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1air n GLY 12 N 0.50 3.97 0.56 0.00 0.00 -1.26 -1.71 105.19 107.25 1air n GLY 12 Ca 0.05 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1air n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1air n GLY 13 N 0.00 0.13 2.56 -0.02 0.00 -1.23 -3.44 105.19 103.20 1air n GLY 13 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1air n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1air n ASN 14 N 0.26 6.35 -2.88 1.61 3.02 -0.69 -4.34 115.26 118.59 1air n ASN 14 Ca 0.14 -2.82 -0.13 0.00 -0.03 0.00 0.00 54.58 51.75 1air n ASN 14 Cb 0.44 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.02 1air n ASN 14 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1air n VAL 15 N 3.88 0.00 -2.37 2.41 0.24 -1.26 -4.89 118.33 116.33 1air n VAL 15 Ca 0.61 -1.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.45 1air n VAL 15 Cb 0.31 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 1air n VAL 15 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1air s THR 16 N -1.98 3.92 0.00 3.34 2.01 -1.26 -3.08 115.64 118.59 1air s THR 16 Ca 0.04 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.40 1air s THR 16 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1air s THR 16 CO 0.03 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1air n GLY 17 N 3.33 0.62 3.77 4.40 0.00 -1.26 -4.91 105.19 111.13 1air n GLY 17 Ca 0.10 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1air n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1air s ALA 18 N -2.00 3.13 -0.16 4.61 0.00 -1.18 -4.42 121.76 121.74 1air s ALA 18 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 1air s ALA 18 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1air s ALA 18 CO 0.00 -0.65 -0.05 0.08 0.00 0.00 0.00 175.76 175.15 1air s VAL 19 N -1.40 3.75 -0.12 0.00 1.01 -0.36 -4.97 120.40 118.32 1air s VAL 19 Ca 0.59 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1air s VAL 19 Cb -0.32 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1air s VAL 19 CO 0.40 0.49 0.24 -0.44 0.00 0.00 0.00 175.10 175.79 1air s SER 20 N 0.50 6.47 0.07 3.32 0.01 -1.26 -1.66 113.70 121.15 1air s SER 20 Ca -0.04 0.55 0.01 0.00 1.31 0.00 0.00 55.95 57.79 1air s SER 20 Cb -0.14 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1air s SER 20 CO 0.03 0.28 -0.06 -0.54 0.41 0.00 0.00 173.24 173.36 1air s LYS 21 N -0.46 0.69 -0.13 12.44 -0.14 -0.61 -4.96 119.74 126.57 1air s LYS 21 Ca 0.16 -1.11 -0.01 0.00 -1.36 0.00 0.00 55.97 53.65 1air s LYS 21 Cb -0.13 -0.16 -0.02 0.00 -1.68 0.00 0.00 37.83 35.84 1air s LYS 21 CO 0.05 -0.01 -0.11 0.99 -0.76 0.00 0.00 175.35 175.51 1air s THR 22 N -2.89 3.26 -0.14 2.17 2.01 -1.26 -1.27 115.64 117.52 1air s THR 22 Ca 0.03 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1air s THR 22 Cb 0.00 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1air s THR 22 CO -0.04 0.52 -0.09 0.00 -0.69 0.00 0.00 174.62 174.33 1air s ALA 23 N 0.25 2.81 -2.00 7.40 0.00 0.62 -4.93 121.76 125.90 1air s ALA 23 Ca -0.07 -0.86 0.17 0.00 0.00 0.00 0.00 51.96 51.19 1air s ALA 23 Cb -0.15 -1.36 0.12 0.00 0.00 0.00 0.00 23.12 21.73 1air s ALA 23 CO 0.05 0.26 1.00 0.25 0.00 0.00 0.00 175.76 177.32 1air n THR 24 N 3.42 0.00 -3.83 0.00 -2.24 -1.26 -0.12 114.28 110.24 1air n THR 24 Ca -0.18 -0.48 -0.06 0.00 -2.27 0.00 0.00 64.05 61.06 1air n THR 24 Cb 0.53 1.33 -0.01 0.00 -2.10 0.00 0.00 70.33 70.07 1air n THR 24 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1air s SER 25 N -1.44 -0.19 0.19 3.42 1.04 -1.26 -3.85 113.70 111.61 1air s SER 25 Ca 0.19 -0.63 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 1air s SER 25 Cb 0.14 0.68 0.12 0.00 0.10 0.00 0.00 66.02 67.06 1air s SER 25 CO 0.23 -1.27 1.83 -0.03 0.98 0.00 0.00 173.24 174.97 1air h MET 26 N 2.00 0.94 -0.74 4.02 1.85 -1.99 -2.49 114.93 118.52 1air h MET 26 Ca -0.22 -0.09 -0.02 0.00 -0.61 0.00 0.00 59.70 58.76 1air h MET 26 Cb 1.24 -0.19 -0.04 0.00 0.43 0.00 0.00 31.60 33.05 1air h MET 26 CO 0.26 0.68 0.39 0.37 -0.40 0.00 0.00 176.91 178.22 1air h GLN 27 N 0.94 1.04 -0.81 0.39 5.75 -2.00 -1.53 115.11 118.88 1air h GLN 27 Ca 0.24 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1air h GLN 27 Cb -0.01 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 1air h GLN 27 CO -0.04 0.77 0.53 -0.44 -2.65 0.00 0.00 178.83 177.00 1air h ASP 28 N 1.04 0.91 -0.61 -0.69 5.19 -1.85 -0.30 116.42 120.11 1air h ASP 28 Ca 0.26 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1air h ASP 28 Cb 0.05 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.31 1air h ASP 28 CO -0.04 0.65 0.35 0.40 -3.12 0.00 0.00 179.24 177.48 1air h ILE 29 N 1.07 1.19 -0.27 0.35 2.04 -1.02 0.14 117.51 121.01 1air h ILE 29 Ca 0.31 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1air h ILE 29 Cb -0.08 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1air h ILE 29 CO -0.08 0.20 0.17 0.58 0.00 0.00 0.00 178.15 179.02 1air h VAL 30 N 0.83 1.08 -0.63 1.67 2.07 -0.71 -2.29 116.25 118.27 1air h VAL 30 Ca 0.22 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1air h VAL 30 Cb 0.01 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1air h VAL 30 CO -0.04 0.08 0.04 0.78 0.02 0.00 0.00 177.57 178.45 1air h ASN 31 N 0.35 1.06 -0.40 0.57 -0.26 -0.61 -2.29 115.58 114.00 1air h ASN 31 Ca 0.10 -0.28 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1air h ASN 31 Cb -0.02 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.94 1air h ASN 31 CO -0.02 1.08 0.25 0.40 -1.06 0.00 0.00 177.43 178.08 1air h ILE 32 N 1.00 1.12 -0.65 2.81 2.04 -0.57 -1.03 117.51 122.23 1air h ILE 32 Ca 0.18 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 1air h ILE 32 Cb 0.52 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1air h ILE 32 CO 0.02 0.12 0.09 0.40 0.00 0.00 0.00 178.15 178.79 1air h ILE 33 N 0.53 1.26 -0.10 -0.67 2.04 -1.34 -1.15 117.51 118.08 1air h ILE 33 Ca 0.14 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 1air h ILE 33 Cb -0.02 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1air h ILE 33 CO -0.03 0.39 0.06 0.44 0.00 0.00 0.00 178.15 179.01 1air h ASP 34 N 1.01 0.13 -0.44 1.72 3.32 -1.09 -2.29 116.42 118.77 1air h ASP 34 Ca 0.20 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1air h ASP 34 Cb 0.45 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1air h ASP 34 CO 0.01 0.14 0.23 0.00 -1.72 0.00 0.00 179.24 177.90 1air h ALA 35 N 1.00 1.52 0.00 3.45 0.00 -1.00 -2.02 119.26 122.21 1air h ALA 35 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1air h ALA 35 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1air h ALA 35 CO -0.01 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1air n ALA 36 N -2.46 1.86 0.98 0.00 0.00 -0.45 -1.53 120.51 118.91 1air n ALA 36 Ca 0.04 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.52 1air n ALA 36 Cb 0.12 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1air n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1air n ARG 37 N -1.05 0.01 -3.49 0.00 1.74 -0.76 -0.38 116.66 112.74 1air n ARG 37 Ca 0.08 -0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.78 1air n ARG 37 Cb 0.04 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.92 1air n ARG 37 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1air s LEU 38 N -3.03 4.28 0.00 0.55 1.43 -0.58 0.67 118.68 122.01 1air s LEU 38 Ca 0.09 0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 53.76 1air s LEU 38 Cb 0.16 -2.47 0.10 0.00 0.03 0.00 0.00 46.19 44.01 1air s LEU 38 CO 0.82 0.11 0.50 -0.90 0.23 0.00 0.00 176.35 177.12 1air n ASP 39 N 3.33 -0.28 0.22 2.29 5.68 0.13 -4.78 116.55 123.13 1air n ASP 39 Ca -0.11 -1.09 0.11 0.00 -0.50 0.00 0.00 54.79 53.19 1air n ASP 39 Cb 0.52 -0.40 0.68 0.00 -1.14 0.00 0.00 41.12 40.78 1air n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1air h ALA 40 N -2.00 2.04 -0.48 2.12 0.00 -1.99 -1.79 119.26 117.17 1air h ALA 40 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1air h ALA 40 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1air h ALA 40 CO 0.12 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1air n ASN 41 N -4.44 3.42 0.00 0.00 3.02 -1.26 -4.91 115.26 111.09 1air n ASN 41 Ca -0.01 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 1air n ASN 41 Cb 0.18 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1air n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1air n GLY 42 N 0.98 0.49 3.87 7.41 0.00 -0.67 -5.02 105.19 112.25 1air n GLY 42 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1air n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1air s LYS 43 N -0.30 3.84 0.25 1.61 3.01 -1.26 -4.79 119.74 122.11 1air s LYS 43 Ca 0.00 0.38 -0.27 0.00 -1.01 0.00 0.00 55.97 55.07 1air s LYS 43 Cb 0.00 -2.56 -0.09 0.00 -1.01 0.00 0.00 37.83 34.17 1air s LYS 43 CO 0.00 0.23 0.90 0.15 0.51 0.00 0.00 175.35 177.14 1air s LYS 44 N -3.01 4.68 -0.18 1.68 1.02 -1.26 0.20 119.74 122.86 1air s LYS 44 Ca 0.49 1.34 -0.03 0.00 0.02 0.00 0.00 55.97 57.79 1air s LYS 44 Cb -0.11 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1air s LYS 44 CO 0.22 0.44 -0.06 0.08 -0.92 0.00 0.00 175.35 175.10 1air s VAL 45 N -1.34 3.42 0.14 3.17 1.01 0.21 -4.86 120.40 122.15 1air s VAL 45 Ca 0.43 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1air s VAL 45 Cb -0.22 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 1air s VAL 45 CO 0.28 0.47 1.76 -0.75 0.00 0.00 0.00 175.10 176.86 1air s LYS 46 N 0.88 4.15 0.00 2.72 2.20 -1.26 -1.40 119.74 127.02 1air s LYS 46 Ca -0.01 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 1air s LYS 46 Cb -0.15 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1air s LYS 46 CO 0.01 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 1air n GLY 47 N 4.11 1.21 0.00 5.54 0.00 -1.24 -4.86 105.19 109.95 1air n GLY 47 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1air n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1air n GLY 48 N -2.00 2.69 0.11 -0.02 0.00 -0.50 -0.33 105.19 105.14 1air n GLY 48 Ca 0.00 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 1air n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1air h ALA 49 N 0.00 0.57 -2.58 4.61 0.00 -0.86 -3.45 119.26 117.55 1air h ALA 49 Ca 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 54.91 53.46 1air h ALA 49 Cb 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 1air h ALA 49 CO 0.00 1.41 -0.29 1.52 0.00 0.00 0.00 179.25 181.89 1air s TYR 50 N -2.59 0.08 0.56 0.00 -0.85 -1.22 -5.02 117.35 108.32 1air s TYR 50 Ca -0.12 -0.48 -0.18 0.00 -0.52 0.00 0.00 57.07 55.78 1air s TYR 50 Cb 0.07 0.02 -0.05 0.00 0.38 0.00 0.00 41.96 42.39 1air s TYR 50 CO 0.81 -0.60 1.07 -2.14 -1.52 0.00 0.00 175.55 173.17 1air s PRO 51 N -3.85 3.39 0.05 -3.49 0.02 -1.26 -4.82 135.00 125.03 1air s PRO 51 Ca 0.05 1.36 0.04 0.00 0.02 0.00 0.00 61.00 62.47 1air s PRO 51 Cb 0.04 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 1air s PRO 51 CO -0.10 -0.77 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.17 1air s LEU 52 N -4.12 2.22 -0.30 -5.54 1.43 -0.71 -1.22 118.68 110.43 1air s LEU 52 Ca 0.67 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1air s LEU 52 Cb -0.18 -0.40 0.10 0.00 0.03 0.00 0.00 46.19 45.73 1air s LEU 52 CO 0.31 -0.08 0.08 -0.69 0.23 0.00 0.00 176.35 176.21 1air s VAL 53 N -1.09 0.93 -0.32 -1.59 1.01 -0.66 -1.65 120.40 117.02 1air s VAL 53 Ca -0.03 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.45 1air s VAL 53 Cb -0.09 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1air s VAL 53 CO 0.01 -0.61 0.30 -0.63 0.00 0.00 0.00 175.10 174.17 1air s ILE 54 N 1.60 5.23 -0.28 2.22 1.01 -0.10 -1.57 121.20 129.30 1air s ILE 54 Ca 0.08 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.62 1air s ILE 54 Cb -0.17 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1air s ILE 54 CO -0.23 0.01 0.40 -0.89 0.00 0.00 0.00 174.94 174.23 1air s THR 55 N 1.89 5.15 -0.36 2.92 2.01 -0.40 -1.57 115.64 125.29 1air s THR 55 Ca 0.10 0.53 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 1air s THR 55 Cb -0.17 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 1air s THR 55 CO 0.11 0.09 0.46 -0.47 -0.69 0.00 0.00 174.62 174.13 1air s TYR 56 N 2.11 3.18 -2.37 4.92 5.04 0.35 -0.27 117.35 130.31 1air s TYR 56 Ca 0.16 0.02 0.20 0.00 -2.44 0.00 0.00 57.07 55.01 1air s TYR 56 Cb -0.16 -2.86 0.25 0.00 0.35 0.00 0.00 41.96 39.53 1air s TYR 56 CO 0.10 -0.55 1.21 0.25 -1.34 0.00 0.00 175.55 175.23 1air n THR 57 N 5.39 0.21 -0.97 4.34 -2.24 0.83 -1.06 114.28 120.78 1air n THR 57 Ca -0.06 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 60.81 1air n THR 57 Cb 0.49 1.23 0.14 0.00 -2.10 0.00 0.00 70.33 70.09 1air n THR 57 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1air s GLY 58 N -1.55 1.66 -0.07 3.38 0.00 -1.24 -4.76 107.32 104.74 1air s GLY 58 Ca 0.28 0.32 -0.03 0.00 0.00 0.00 0.00 44.72 45.29 1air s GLY 58 CO 0.26 0.75 0.13 0.21 0.00 0.00 0.00 173.10 174.45 1air s ASN 59 N -3.04 0.46 -0.23 1.64 3.84 -1.25 -1.43 114.94 114.93 1air s ASN 59 Ca 0.64 0.27 0.12 0.00 0.21 0.00 0.00 52.86 54.10 1air s ASN 59 Cb -0.20 0.17 0.45 0.00 -0.55 0.00 0.00 41.25 41.11 1air s ASN 59 CO 0.58 -0.20 1.19 -0.62 -2.79 0.00 0.00 177.10 175.25 1air n GLU 60 N 4.86 2.35 -0.20 0.43 1.02 -1.04 -4.82 120.64 123.24 1air n GLU 60 Ca -0.14 -3.59 0.12 0.00 -0.02 0.00 0.00 57.16 53.53 1air n GLU 60 Cb 0.50 -1.76 0.42 0.00 -0.02 0.00 0.00 31.44 30.58 1air n GLU 60 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1air h ASP 61 N 1.68 0.56 -0.80 1.62 3.32 -1.96 -0.99 116.42 119.85 1air h ASP 61 Ca 0.13 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.25 1air h ASP 61 Cb 1.34 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 1air h ASP 61 CO 0.36 0.31 0.49 0.28 -1.72 0.00 0.00 179.24 178.96 1air h SER 62 N 0.61 0.79 -0.10 6.45 0.02 -1.99 0.32 113.55 119.66 1air h SER 62 Ca 0.38 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1air h SER 62 Cb 0.63 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1air h SER 62 CO -0.15 0.52 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.98 1air h LEU 63 N 0.93 0.19 -0.25 5.07 4.07 -1.60 -1.36 115.31 122.35 1air h LEU 63 Ca 0.34 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1air h LEU 63 Cb 0.10 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1air h LEU 63 CO -0.15 0.51 0.17 0.40 -1.08 0.00 0.00 178.44 178.29 1air h ILE 64 N -0.13 1.07 -0.34 1.22 2.04 -0.97 -0.31 117.51 120.08 1air h ILE 64 Ca 0.03 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 1air h ILE 64 Cb 0.42 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1air h ILE 64 CO 0.01 0.06 -0.15 0.78 0.00 0.00 0.00 178.15 178.85 1air h ASN 65 N 0.34 0.59 -0.21 1.72 2.35 -0.37 0.27 115.58 120.27 1air h ASN 65 Ca 0.09 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1air h ASN 65 Cb -0.04 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1air h ASN 65 CO -0.02 0.77 -0.04 0.00 -1.65 0.00 0.00 177.43 176.48 1air h ALA 66 N 1.29 0.28 -0.69 -0.83 0.00 -0.91 -2.93 119.26 115.48 1air h ALA 66 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1air h ALA 66 Cb 0.58 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1air h ALA 66 CO 0.04 0.06 0.45 0.00 0.00 0.00 0.00 179.25 179.79 1air h ALA 67 N 0.75 0.87 0.00 0.00 0.00 -0.65 -2.11 119.26 118.11 1air h ALA 67 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1air h ALA 67 Cb 0.48 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1air h ALA 67 CO 0.02 0.31 -0.01 0.00 0.00 0.00 0.00 179.25 179.57 1air h ALA 68 N 1.24 1.75 0.00 0.00 0.00 -0.91 -1.07 119.26 120.27 1air h ALA 68 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1air h ALA 68 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1air h ALA 68 CO -0.05 0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.83 1air n ALA 69 N -2.43 2.91 -3.09 0.00 0.00 -0.82 -4.28 120.51 112.81 1air n ALA 69 Ca -0.03 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.00 1air n ALA 69 Cb 0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1air n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1air n ASN 70 N -1.82 -0.38 -0.24 0.00 5.15 -0.48 -5.01 115.26 112.48 1air n ASN 70 Ca 0.05 -2.92 0.03 0.00 -0.60 0.00 0.00 54.58 51.14 1air n ASN 70 Cb 0.39 -0.05 0.16 0.00 -0.53 0.00 0.00 39.78 39.74 1air n ASN 70 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1air h ILE 71 N 2.03 0.70 0.00 -1.44 2.04 -1.56 -2.35 117.51 116.94 1air h ILE 71 Ca 0.03 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1air h ILE 71 Cb 0.94 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1air h ILE 71 CO 0.43 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.66 1air n GLY 73 N 0.60 1.47 0.13 0.00 0.00 -0.88 -4.57 105.19 101.94 1air n GLY 73 Ca 0.13 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1air n GLY 73 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1air h GLN 74 N 4.05 0.33 -0.59 1.61 1.08 -1.69 -3.39 115.11 116.52 1air h GLN 74 Ca 0.00 -0.56 0.14 0.00 -1.45 0.00 0.00 58.65 56.78 1air h GLN 74 Cb 0.91 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 28.52 1air h GLN 74 CO 0.00 1.27 0.41 0.11 -0.95 0.00 0.00 178.83 179.67 1air h TRP 75 N -0.10 0.19 -0.00 2.96 5.08 -1.81 0.24 115.95 122.51 1air h TRP 75 Ca -0.31 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.66 1air h TRP 75 Cb 1.93 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 28.03 1air h TRP 75 CO 0.12 0.08 -0.33 -1.13 -1.28 0.00 0.00 178.44 175.90 1air n SER 76 N -4.42 0.41 -4.84 0.11 3.41 -1.26 -2.60 113.62 104.42 1air n SER 76 Ca 0.11 -0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.29 1air n SER 76 Cb 0.54 0.03 0.09 0.00 -0.26 0.00 0.00 64.21 64.61 1air n SER 76 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1air s LYS 77 N -2.92 1.99 0.33 4.33 1.02 -0.85 -4.91 119.74 118.72 1air s LYS 77 Ca 0.14 0.37 -0.28 0.00 0.02 0.00 0.00 55.97 56.21 1air s LYS 77 Cb 0.18 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 35.46 1air s LYS 77 CO 0.63 -1.63 1.27 -0.51 -0.92 0.00 0.00 175.35 174.19 1air s ASP 78 N -4.22 6.81 0.65 2.83 1.01 -1.26 -2.99 116.67 119.49 1air s ASP 78 Ca 0.61 2.61 -0.14 0.00 0.71 0.00 0.00 52.55 56.34 1air s ASP 78 Cb -0.13 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.15 1air s ASP 78 CO 0.52 -0.50 1.07 -2.16 0.21 0.00 0.00 175.17 174.31 1air s PRO 79 N -1.80 3.03 -0.06 8.23 0.04 -1.26 -4.12 135.00 139.06 1air s PRO 79 Ca 0.49 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1air s PRO 79 Cb -0.38 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1air s PRO 79 CO 0.50 -1.04 -0.06 1.03 0.04 0.00 0.00 177.00 177.47 1air s ARG 80 N -4.41 1.08 -0.10 4.56 0.52 -1.26 -4.99 118.95 114.34 1air s ARG 80 Ca 0.62 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 1air s ARG 80 Cb -0.16 -1.07 0.12 0.00 0.52 0.00 0.00 34.95 34.36 1air s ARG 80 CO 0.44 -0.10 0.96 0.20 0.02 0.00 0.00 175.30 176.82 1air s GLY 81 N 1.07 -0.35 -0.21 -3.53 0.00 -1.26 -0.79 107.32 102.25 1air s GLY 81 Ca -0.08 1.63 -0.13 0.00 0.00 0.00 0.00 44.72 46.13 1air s GLY 81 CO -0.01 0.75 0.27 0.14 0.00 0.00 0.00 173.10 174.26 1air s VAL 82 N -1.90 5.29 -0.22 1.40 1.01 0.31 -4.90 120.40 121.41 1air s VAL 82 Ca 0.01 0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 1air s VAL 82 Cb -0.01 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1air s VAL 82 CO -0.02 0.33 0.21 -0.70 0.00 0.00 0.00 175.10 174.92 1air s GLU 83 N 0.97 4.14 -0.63 2.72 2.12 -1.26 -0.22 118.70 126.53 1air s GLU 83 Ca 0.14 -0.13 -0.02 0.00 0.36 0.00 0.00 54.97 55.31 1air s GLU 83 Cb -0.14 -3.50 0.16 0.00 0.26 0.00 0.00 34.13 30.92 1air s GLU 83 CO 0.05 0.11 0.44 0.42 -0.54 0.00 0.00 175.26 175.75 1air s ILE 84 N 0.89 3.64 -0.17 -3.70 1.01 0.11 -4.95 121.20 118.03 1air s ILE 84 Ca 0.11 -3.06 -0.05 0.00 0.00 0.00 0.00 60.65 57.64 1air s ILE 84 Cb -0.13 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1air s ILE 84 CO 0.04 -0.88 0.01 -0.75 0.00 0.00 0.00 174.94 173.35 1air s LYS 85 N -0.18 3.81 -1.49 2.79 2.20 -1.26 -1.27 119.74 124.34 1air s LYS 85 Ca 0.18 -0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 1air s LYS 85 Cb -0.20 -3.06 0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1air s LYS 85 CO -0.03 0.27 0.46 0.39 -0.36 0.00 0.00 175.35 176.08 1air n GLU 86 N 3.49 -3.06 -3.97 4.03 1.02 -0.41 -4.96 120.64 116.79 1air n GLU 86 Ca -0.17 0.37 -0.34 0.00 -0.02 0.00 0.00 57.16 57.00 1air n GLU 86 Cb 0.52 -4.57 -0.14 0.00 -0.02 0.00 0.00 31.44 27.23 1air n GLU 86 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1air s PHE 87 N -3.85 3.11 -0.01 -0.32 2.19 -1.26 -3.61 117.98 114.23 1air s PHE 87 Ca 0.17 -1.71 0.00 0.00 0.33 0.00 0.00 56.93 55.73 1air s PHE 87 Cb -0.09 -2.04 0.00 0.00 -1.31 0.00 0.00 43.02 39.57 1air s PHE 87 CO 0.91 -0.76 0.68 0.25 1.83 0.00 0.00 175.22 178.12 1air n THR 88 N 4.63 0.35 0.36 0.12 -2.24 0.55 -2.96 114.28 115.09 1air n THR 88 Ca -0.16 -0.68 0.14 0.00 -2.27 0.00 0.00 64.05 61.09 1air n THR 88 Cb 0.46 0.82 0.50 0.00 -2.10 0.00 0.00 70.33 70.02 1air n THR 88 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1air h LYS 89 N 0.02 0.00 0.00 -0.78 1.79 -1.76 -3.45 116.57 112.38 1air h LYS 89 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1air h LYS 89 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1air h LYS 89 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1air n GLY 90 N 0.38 3.31 3.35 3.86 0.00 -1.26 -4.45 105.19 110.39 1air n GLY 90 Ca 0.02 -1.32 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1air n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1air s ILE 91 N 0.00 0.00 -0.05 -0.61 2.07 -0.28 -1.74 121.20 120.58 1air s ILE 91 Ca 0.00 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1air s ILE 91 Cb 0.00 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.96 1air s ILE 91 CO 0.00 -0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.02 1air s THR 92 N 0.20 1.06 -0.26 4.00 2.01 -0.66 -1.05 115.64 120.94 1air s THR 92 Ca -0.00 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1air s THR 92 Cb -0.03 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.57 1air s THR 92 CO 0.01 0.33 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.56 1air s ILE 93 N 0.49 2.49 -0.11 1.82 1.01 0.14 -0.93 121.20 126.12 1air s ILE 93 Ca -0.10 -1.40 0.01 0.00 0.00 0.00 0.00 60.65 59.16 1air s ILE 93 Cb -0.14 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1air s ILE 93 CO 0.03 0.04 -0.15 -0.63 0.00 0.00 0.00 174.94 174.23 1air s ILE 94 N 1.20 2.90 0.30 2.92 1.01 -0.61 -0.87 121.20 128.05 1air s ILE 94 Ca -0.05 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1air s ILE 94 Cb -0.19 -2.18 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 1air s ILE 94 CO -0.05 0.54 0.67 -0.83 0.00 0.00 0.00 174.94 175.28 1air s GLY 95 N 0.09 2.24 0.41 6.18 0.00 -0.39 -0.49 107.32 115.36 1air s GLY 95 Ca -0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.40 1air s GLY 95 CO 0.05 0.06 0.82 0.00 0.00 0.00 0.00 173.10 174.03 1air s ALA 96 N -1.99 3.26 0.23 3.20 0.00 -0.22 -4.79 121.76 121.45 1air s ALA 96 Ca 0.51 -0.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 1air s ALA 96 Cb -0.11 -2.84 -0.11 0.00 0.00 0.00 0.00 23.12 20.06 1air s ALA 96 CO 0.21 0.02 1.65 -0.80 0.00 0.00 0.00 175.76 176.84 1air s ASN 97 N -2.89 6.42 0.00 0.00 0.01 -1.26 -1.02 114.94 116.19 1air s ASN 97 Ca 0.54 2.85 0.00 0.00 -0.71 0.00 0.00 52.86 55.54 1air s ASN 97 Cb -0.10 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.95 1air s ASN 97 CO 0.27 -0.92 0.00 0.61 -1.51 0.00 0.00 177.10 175.55 1air n GLY 98 N 3.31 0.54 3.86 0.66 0.00 -1.26 -5.05 105.19 107.23 1air n GLY 98 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1air n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1air s SER 99 N -2.45 6.45 0.06 1.61 1.04 -0.19 -4.83 113.70 115.38 1air s SER 99 Ca 0.00 1.48 -0.20 0.00 0.48 0.00 0.00 55.95 57.71 1air s SER 99 Cb 0.00 -2.48 0.04 0.00 0.10 0.00 0.00 66.02 63.68 1air s SER 99 CO 0.00 -0.70 0.46 -0.94 0.98 0.00 0.00 173.24 173.05 1air s SER 100 N -3.55 -0.35 0.00 7.02 1.04 -0.51 -4.34 113.70 113.00 1air s SER 100 Ca 0.57 0.04 0.01 0.00 0.48 0.00 0.00 55.95 57.05 1air s SER 100 Cb -0.10 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1air s SER 100 CO 0.41 -0.71 -0.04 0.00 0.98 0.00 0.00 173.24 173.87 1air s ALA 101 N -2.62 0.34 -0.36 5.32 0.00 -0.13 -2.49 121.76 121.81 1air s ALA 101 Ca -0.04 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1air s ALA 101 Cb -0.00 -0.07 0.46 0.00 0.00 0.00 0.00 23.12 23.51 1air s ALA 101 CO -0.03 0.07 1.39 -1.71 0.00 0.00 0.00 175.76 175.47 1air n ASN 102 N 2.83 5.00 -3.85 0.00 4.05 -1.26 -2.91 115.26 119.11 1air n ASN 102 Ca -0.14 -3.77 -0.10 0.00 0.45 0.00 0.00 54.58 51.02 1air n ASN 102 Cb 0.58 -0.51 -0.08 0.00 1.23 0.00 0.00 39.78 41.00 1air n ASN 102 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1air s PHE 103 N -3.59 0.07 0.51 1.20 -0.12 -1.26 -4.60 117.98 110.20 1air s PHE 103 Ca 0.52 -0.31 0.08 0.00 -0.05 0.00 0.00 56.93 57.18 1air s PHE 103 Cb 0.43 -0.04 0.05 0.00 -0.63 0.00 0.00 43.02 42.83 1air s PHE 103 CO 0.02 -0.43 0.70 0.20 -0.05 0.00 0.00 175.22 175.66 1air s GLY 104 N -2.11 1.83 -0.20 1.99 0.00 0.03 -4.91 107.32 103.96 1air s GLY 104 Ca -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.80 1air s GLY 104 CO -0.04 -1.54 -0.16 -0.42 0.00 0.00 0.00 173.10 170.93 1air s ILE 105 N -2.55 2.29 -0.30 0.90 -1.09 0.08 -0.53 121.20 120.00 1air s ILE 105 Ca 0.59 -0.95 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1air s ILE 105 Cb -0.08 -2.02 0.04 0.00 -1.58 0.00 0.00 42.46 38.82 1air s ILE 105 CO 0.37 0.46 0.02 0.26 -1.23 0.00 0.00 174.94 174.81 1air s TRP 106 N 1.30 3.23 -0.24 3.97 0.51 0.69 -1.86 118.94 126.54 1air s TRP 106 Ca 0.04 -1.68 -0.12 0.00 -2.12 0.00 0.00 56.10 52.21 1air s TRP 106 Cb -0.14 -2.14 -0.05 0.00 -0.81 0.00 0.00 33.47 30.33 1air s TRP 106 CO -0.11 -0.76 0.25 0.42 -0.51 0.00 0.00 176.95 176.24 1air s ILE 107 N 1.31 5.29 -0.06 2.03 1.01 0.35 0.04 121.20 131.17 1air s ILE 107 Ca -0.03 0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 1air s ILE 107 Cb -0.19 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1air s ILE 107 CO -0.01 0.29 -0.00 -0.75 0.00 0.00 0.00 174.94 174.47 1air s LYS 108 N 1.33 0.56 -1.63 2.79 2.47 -0.40 -0.77 119.74 124.09 1air s LYS 108 Ca 0.11 0.08 -0.14 0.00 -1.56 0.00 0.00 55.97 54.46 1air s LYS 108 Cb -0.14 -0.85 0.12 0.00 -1.46 0.00 0.00 37.83 35.50 1air s LYS 108 CO 0.07 -0.24 0.73 1.63 0.16 0.00 0.00 175.35 177.70 1air n LYS 109 N 4.80 -3.43 -4.47 4.03 5.02 -0.20 -1.29 118.16 122.63 1air n LYS 109 Ca -0.13 0.40 -0.31 0.00 -2.02 0.00 0.00 58.31 56.25 1air n LYS 109 Cb 0.50 -5.01 -0.05 0.00 -0.02 0.00 0.00 35.03 30.45 1air n LYS 109 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1air n SER 110 N -2.74 3.24 -3.82 4.39 7.64 -1.25 -3.15 113.62 117.93 1air n SER 110 Ca -0.01 -3.18 -0.09 0.00 1.01 0.00 0.00 58.87 56.60 1air n SER 110 Cb 0.54 0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.90 1air n SER 110 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1air s SER 111 N -4.02 0.06 -0.89 6.43 0.01 -1.16 -3.57 113.70 110.57 1air s SER 111 Ca 0.11 -0.60 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 1air s SER 111 Cb -0.01 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1air s SER 111 CO 0.07 -0.75 0.68 0.47 0.41 0.00 0.00 173.24 174.11 1air n ASP 112 N -0.09 -5.78 -4.13 2.44 8.00 -0.83 -4.44 116.55 111.71 1air n ASP 112 Ca -0.15 -0.74 -0.28 0.00 0.71 0.00 0.00 54.79 54.34 1air n ASP 112 Cb 0.63 -3.09 -0.17 0.00 -0.02 0.00 0.00 41.12 38.47 1air n ASP 112 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1air s VAL 113 N -3.12 1.56 -0.11 2.53 1.01 -1.13 -1.13 120.40 120.02 1air s VAL 113 Ca 0.13 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1air s VAL 113 Cb -0.05 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1air s VAL 113 CO 0.85 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 175.53 1air s VAL 114 N 0.37 1.67 -0.21 2.92 1.01 -0.22 -0.81 120.40 125.13 1air s VAL 114 Ca -0.13 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1air s VAL 114 Cb -0.15 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1air s VAL 114 CO 0.05 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 1air s VAL 115 N 0.77 2.24 0.07 2.92 1.01 -0.37 -0.68 120.40 126.35 1air s VAL 115 Ca -0.11 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1air s VAL 115 Cb -0.16 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1air s VAL 115 CO 0.01 0.38 -0.07 -1.10 0.00 0.00 0.00 175.10 174.32 1air s GLN 116 N 1.26 0.68 -1.18 2.72 -0.21 -0.05 -1.38 119.66 121.50 1air s GLN 116 Ca 0.02 -1.05 -0.06 0.00 0.02 0.00 0.00 55.36 54.29 1air s GLN 116 Cb -0.15 -0.23 0.04 0.00 1.00 0.00 0.00 33.01 33.67 1air s GLN 116 CO -0.10 0.01 0.32 -1.71 -2.12 0.00 0.00 175.29 171.69 1air n ASN 117 N 0.69 -3.81 -4.77 5.90 5.15 -0.38 -1.26 115.26 116.79 1air n ASN 117 Ca -0.17 -0.16 -0.36 0.00 -0.60 0.00 0.00 54.58 53.29 1air n ASN 117 Cb 0.58 -3.18 -0.08 0.00 -0.53 0.00 0.00 39.78 36.57 1air n ASN 117 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1air s MET 118 N -5.64 3.86 -0.43 1.20 -1.94 -1.26 -3.60 119.30 111.50 1air s MET 118 Ca 0.25 -0.21 -0.09 0.00 -1.71 0.00 0.00 55.69 53.93 1air s MET 118 Cb -0.13 -3.29 0.09 0.00 2.01 0.00 0.00 34.83 33.51 1air s MET 118 CO 0.31 0.48 0.27 0.50 -0.01 0.00 0.00 175.02 176.57 1air s ARG 119 N -0.17 2.54 -0.15 2.03 3.52 -1.26 -1.54 118.95 123.92 1air s ARG 119 Ca 0.10 -1.54 0.01 0.00 -0.13 0.00 0.00 55.73 54.17 1air s ARG 119 Cb -0.12 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 1air s ARG 119 CO 0.01 -1.00 -0.17 0.42 -0.81 0.00 0.00 175.30 173.74 1air s ILE 120 N 1.39 2.54 0.07 4.11 1.01 -0.39 -0.95 121.20 128.98 1air s ILE 120 Ca 0.04 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.68 1air s ILE 120 Cb -0.24 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.22 1air s ILE 120 CO 0.01 0.52 0.46 -0.83 0.00 0.00 0.00 174.94 175.11 1air s GLY 121 N 0.81 -0.36 -1.50 6.18 0.00 -1.15 -2.28 107.32 109.03 1air s GLY 121 Ca -0.06 0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.94 1air s GLY 121 CO -0.00 0.07 0.67 -1.72 0.00 0.00 0.00 173.10 172.12 1air n TYR 122 N 0.24 -1.84 -1.92 1.90 4.01 -0.48 -4.67 117.16 114.40 1air n TYR 122 Ca -0.18 0.81 -0.40 0.00 -0.16 0.00 0.00 57.90 57.97 1air n TYR 122 Cb 0.61 -3.67 0.00 0.00 -0.31 0.00 0.00 39.34 35.98 1air n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1air s LEU 123 N -7.08 4.19 0.71 7.72 1.43 -1.26 -4.93 118.68 119.46 1air s LEU 123 Ca 0.33 2.82 -0.10 0.00 -1.03 0.00 0.00 54.13 56.15 1air s LEU 123 Cb -0.18 -3.88 0.03 0.00 0.03 0.00 0.00 46.19 42.19 1air s LEU 123 CO 0.88 -0.99 1.08 -2.16 0.23 0.00 0.00 176.35 175.39 1air s PRO 124 N -2.30 2.64 0.00 1.29 0.04 -1.26 -4.56 135.00 130.84 1air s PRO 124 Ca 0.58 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1air s PRO 124 Cb -0.42 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1air s PRO 124 CO 0.54 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1air n GLY 125 N -3.00 0.72 0.28 0.56 0.00 0.02 -4.36 105.19 99.40 1air n GLY 125 Ca 0.07 -0.71 0.15 0.00 0.00 0.00 0.00 46.02 45.53 1air n GLY 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1air h GLY 126 N 0.00 0.00 1.46 -0.02 0.00 -1.70 0.21 103.07 103.02 1air h GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1air h GLY 126 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.39 1air n ALA 127 N -2.25 2.75 -2.71 3.60 0.00 -1.07 -4.12 120.51 116.71 1air n ALA 127 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.05 1air n ALA 127 Cb 0.19 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.30 1air n ALA 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1air n LYS 128 N -1.36 1.86 -3.70 0.00 5.02 -0.54 -4.98 118.16 114.46 1air n LYS 128 Ca 0.09 -3.71 -0.26 0.00 -2.02 0.00 0.00 58.31 52.41 1air n LYS 128 Cb 0.32 -1.64 0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1air n LYS 128 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1air n ASP 129 N -0.13 -5.49 -3.35 4.39 8.00 -1.20 -4.76 116.55 114.00 1air n ASP 129 Ca 0.21 -0.63 -0.39 0.00 0.71 0.00 0.00 54.79 54.68 1air n ASP 129 Cb 0.72 -4.63 -0.03 0.00 -0.02 0.00 0.00 41.12 37.17 1air n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1air n GLY 130 N -1.85 4.37 3.78 0.44 0.00 -0.05 -4.95 105.19 106.92 1air n GLY 130 Ca -0.00 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 1air n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1air s ASP 131 N 2.02 5.65 -0.07 1.61 1.01 -1.26 -4.24 116.67 121.39 1air s ASP 131 Ca 0.67 2.11 -0.27 0.00 0.71 0.00 0.00 52.55 55.78 1air s ASP 131 Cb 0.18 -2.57 -0.23 0.00 1.01 0.00 0.00 42.92 41.30 1air s ASP 131 CO -0.06 -1.26 1.01 0.24 0.21 0.00 0.00 175.17 175.30 1air h MET 132 N 0.98 0.06 -3.53 8.23 2.86 -1.37 -3.38 114.93 118.78 1air h MET 132 Ca -0.49 -0.06 -0.31 0.00 -2.06 0.00 0.00 59.70 56.78 1air h MET 132 Cb 1.25 0.02 -0.34 0.00 0.06 0.00 0.00 31.60 32.59 1air h MET 132 CO 0.57 0.81 -0.73 0.42 1.06 0.00 0.00 176.91 179.04 1air s ILE 133 N -3.16 -0.03 -0.06 -1.22 1.01 -0.42 -0.74 121.20 116.58 1air s ILE 133 Ca -0.17 0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1air s ILE 133 Cb -0.00 -0.11 0.01 0.00 0.01 0.00 0.00 42.46 42.37 1air s ILE 133 CO 0.70 0.11 -0.11 -0.60 0.00 0.00 0.00 174.94 175.03 1air s ARG 134 N 1.16 1.61 -0.28 2.79 3.52 -0.77 -1.72 118.95 125.25 1air s ARG 134 Ca -0.08 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1air s ARG 134 Cb -0.13 -1.35 0.07 0.00 -1.56 0.00 0.00 34.95 31.98 1air s ARG 134 CO -0.03 0.01 -0.06 0.08 -0.81 0.00 0.00 175.30 174.49 1air s VAL 135 N 0.70 2.20 -0.12 7.11 1.01 0.42 -0.49 120.40 131.23 1air s VAL 135 Ca -0.14 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.01 1air s VAL 135 Cb -0.16 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1air s VAL 135 CO 0.03 -0.20 -0.18 -0.62 0.00 0.00 0.00 175.10 174.13 1air s ASP 136 N 1.04 2.71 -1.42 3.32 -1.08 0.05 -0.92 116.67 120.37 1air s ASP 136 Ca -0.03 -0.50 -0.13 0.00 -0.52 0.00 0.00 52.55 51.37 1air s ASP 136 Cb -0.20 -1.23 0.11 0.00 -1.46 0.00 0.00 42.92 40.14 1air s ASP 136 CO -0.06 0.04 0.61 0.47 0.52 0.00 0.00 175.17 176.75 1air n ASP 137 N 4.14 -3.53 -3.82 -0.34 8.00 -0.72 -1.03 116.55 119.25 1air n ASP 137 Ca -0.19 -0.62 -0.30 0.00 0.71 0.00 0.00 54.79 54.39 1air n ASP 137 Cb 0.51 -2.91 -0.15 0.00 -0.02 0.00 0.00 41.12 38.55 1air n ASP 137 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1air s SER 138 N -2.93 4.06 0.57 -2.24 0.01 -1.25 -3.42 113.70 108.51 1air s SER 138 Ca 0.54 -1.61 -0.09 0.00 1.31 0.00 0.00 55.95 56.10 1air s SER 138 Cb -0.29 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1air s SER 138 CO 0.66 -0.37 0.95 -2.16 0.41 0.00 0.00 173.24 172.72 1air s PRO 139 N 1.46 3.55 -1.18 12.44 0.04 -1.23 -4.40 135.00 145.68 1air s PRO 139 Ca 0.07 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.61 1air s PRO 139 Cb -0.18 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1air s PRO 139 CO -0.18 -0.46 0.86 0.09 0.04 0.00 0.00 177.00 177.35 1air n ASN 140 N -2.58 -3.44 -4.55 6.66 3.02 0.51 -3.25 115.26 111.63 1air n ASN 140 Ca 0.04 -0.76 -0.33 0.00 -0.03 0.00 0.00 54.58 53.50 1air n ASN 140 Cb 0.55 -4.59 -0.12 0.00 -0.61 0.00 0.00 39.78 35.01 1air n ASN 140 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1air s VAL 141 N -3.48 3.48 -0.18 2.41 1.01 -1.17 -1.97 120.40 120.50 1air s VAL 141 Ca 0.19 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1air s VAL 141 Cb -0.04 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1air s VAL 141 CO 0.78 0.59 -0.06 0.86 0.00 0.00 0.00 175.10 177.27 1air s TRP 142 N -0.79 1.89 -0.47 5.22 -0.00 0.01 -2.21 118.94 122.59 1air s TRP 142 Ca 0.12 -1.25 -0.10 0.00 -0.00 0.00 0.00 56.10 54.87 1air s TRP 142 Cb -0.11 -1.40 0.11 0.00 -0.00 0.00 0.00 33.47 32.08 1air s TRP 142 CO 0.01 -0.66 0.35 0.08 -0.00 0.00 0.00 176.95 176.73 1air s VAL 143 N 1.57 4.35 -0.01 5.86 1.01 -0.12 -1.23 120.40 131.83 1air s VAL 143 Ca -0.00 -1.66 0.04 0.00 0.00 0.00 0.00 61.98 60.36 1air s VAL 143 Cb -0.16 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1air s VAL 143 CO -0.08 -0.73 -0.13 -0.62 0.00 0.00 0.00 175.10 173.55 1air s ASP 144 N 2.66 1.54 -1.23 3.32 2.15 -0.48 -1.27 116.67 123.37 1air s ASP 144 Ca 0.05 -0.24 -0.02 0.00 0.43 0.00 0.00 52.55 52.77 1air s ASP 144 Cb -0.26 -0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 42.13 1air s ASP 144 CO 0.00 0.15 0.83 1.41 -0.17 0.00 0.00 175.17 177.40 1air n HIS 145 N 2.86 -2.07 -4.51 -5.34 8.25 -0.40 -3.24 115.22 110.76 1air n HIS 145 Ca -0.15 0.85 -0.25 0.00 -0.26 0.00 0.00 57.72 57.91 1air n HIS 145 Cb 0.55 -4.53 -0.10 0.00 1.12 0.00 0.00 29.99 27.03 1air n HIS 145 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1air s ASN 146 N -4.18 3.61 -0.22 0.41 0.01 -1.25 -1.25 114.94 112.08 1air s ASN 146 Ca 0.09 -1.14 0.01 0.00 -0.71 0.00 0.00 52.86 51.12 1air s ASN 146 Cb -0.02 -0.32 0.04 0.00 0.41 0.00 0.00 41.25 41.36 1air s ASN 146 CO 0.78 -0.12 -0.14 -0.70 -1.51 0.00 0.00 177.10 175.40 1air s GLU 147 N -3.58 2.66 -0.22 -0.60 2.12 -0.59 -0.60 118.70 117.90 1air s GLU 147 Ca 0.31 -1.06 -0.00 0.00 0.36 0.00 0.00 54.97 54.58 1air s GLU 147 Cb -0.00 -2.76 0.02 0.00 0.26 0.00 0.00 34.13 31.65 1air s GLU 147 CO 0.16 -0.38 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.86 1air s LEU 148 N 1.22 2.74 0.17 2.70 2.01 -0.41 -1.27 118.68 125.84 1air s LEU 148 Ca -0.01 -0.76 -0.10 0.00 0.01 0.00 0.00 54.13 53.27 1air s LEU 148 Cb -0.16 -1.59 -0.01 0.00 0.01 0.00 0.00 46.19 44.44 1air s LEU 148 CO -0.09 -0.06 0.31 0.72 1.01 0.00 0.00 176.35 178.24 1air s PHE 149 N 1.31 0.37 0.00 0.29 -0.71 -0.97 -1.82 117.98 116.46 1air s PHE 149 Ca 0.02 -0.73 0.00 0.00 -1.04 0.00 0.00 56.93 55.18 1air s PHE 149 Cb -0.15 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 1air s PHE 149 CO -0.08 -0.75 0.00 0.00 -1.34 0.00 0.00 175.22 173.05 1air n ALA 150 N -0.24 0.00 -3.23 1.99 0.00 -0.91 -1.38 120.51 116.74 1air n ALA 150 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1air n ALA 150 Cb 0.63 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.91 1air n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1air s ALA 151 N -1.00 1.68 -1.33 0.00 0.00 -0.03 -4.49 121.76 116.59 1air s ALA 151 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1air s ALA 151 Cb 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.55 1air s ALA 151 CO 0.00 0.22 1.82 -1.71 0.00 0.00 0.00 175.76 176.10 1air n ASN 152 N 3.54 4.74 -3.63 0.00 5.15 -1.11 -4.39 115.26 119.55 1air n ASN 152 Ca -0.20 -2.92 -0.16 0.00 -0.60 0.00 0.00 54.58 50.70 1air n ASN 152 Cb 0.52 -1.69 -0.07 0.00 -0.53 0.00 0.00 39.78 38.01 1air n ASN 152 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1air s HIS 153 N 3.48 -0.52 -0.20 1.20 2.46 -1.26 -4.94 115.29 115.51 1air s HIS 153 Ca 0.50 0.98 0.01 0.00 0.47 0.00 0.00 55.06 57.03 1air s HIS 153 Cb 0.06 0.27 0.04 0.00 -0.13 0.00 0.00 32.58 32.82 1air s HIS 153 CO 0.03 -0.47 -0.14 -2.00 -2.47 0.00 0.00 174.74 169.68 1air s GLU 154 N -0.87 2.45 0.66 2.88 2.56 -1.26 -4.80 118.70 120.32 1air s GLU 154 Ca -0.09 -0.93 -0.13 0.00 0.00 0.00 0.00 54.97 53.82 1air s GLU 154 Cb -0.02 -2.55 -0.00 0.00 2.00 0.00 0.00 34.13 33.55 1air s GLU 154 CO 0.06 -0.36 1.07 0.00 -0.56 0.00 0.00 175.26 175.46 1air s ASP 156 N -3.24 6.73 -0.99 0.00 1.01 -1.26 -3.88 116.67 115.04 1air s ASP 156 Ca 0.61 1.86 0.00 0.00 0.71 0.00 0.00 52.55 55.73 1air s ASP 156 Cb -0.16 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1air s ASP 156 CO 0.47 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.95 1air n GLY 157 N -0.19 1.07 3.85 0.21 0.00 -1.26 -5.02 105.19 103.85 1air n GLY 157 Ca 0.07 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1air n GLY 157 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1air s THR 158 N -2.35 4.69 0.22 2.61 -4.23 -1.25 -4.99 115.64 110.34 1air s THR 158 Ca 0.00 0.94 -0.32 0.00 -1.18 0.00 0.00 61.69 61.14 1air s THR 158 Cb 0.00 -3.64 -0.12 0.00 1.34 0.00 0.00 72.50 70.08 1air s THR 158 CO 0.00 -0.13 1.70 -2.84 -0.54 0.00 0.00 174.62 172.81 1air s PRO 159 N -2.84 4.13 0.00 3.99 0.02 -1.26 -1.79 135.00 137.24 1air s PRO 159 Ca 0.52 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1air s PRO 159 Cb -0.11 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1air s PRO 159 CO 0.18 -0.73 0.00 -0.25 -0.33 0.00 0.00 177.00 175.87 1air n ASP 160 N 3.67 0.00 -4.03 2.53 8.00 -1.26 -3.55 116.55 121.91 1air n ASP 160 Ca 0.15 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 1air n ASP 160 Cb 0.36 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1air n ASP 160 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1air n ASN 161 N 0.00 -3.94 -0.17 -2.24 3.02 -0.74 -4.78 115.26 106.40 1air n ASN 161 Ca 0.00 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1air n ASN 161 Cb 0.00 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 1air n ASN 161 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1air n ASP 162 N -2.78 0.00 -0.43 6.41 2.03 -1.23 -4.96 116.55 115.59 1air n ASP 162 Ca 0.03 -1.11 0.07 0.00 0.52 0.00 0.00 54.79 54.31 1air n ASP 162 Cb 0.52 -0.02 0.18 0.00 -0.72 0.00 0.00 41.12 41.08 1air n ASP 162 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1air n THR 163 N 0.00 2.10 -0.10 5.18 -2.24 -1.25 -4.68 114.28 113.29 1air n THR 163 Ca 0.00 -2.54 -0.02 0.00 -2.27 0.00 0.00 64.05 59.22 1air n THR 163 Cb 0.52 -0.25 0.23 0.00 -2.10 0.00 0.00 70.33 68.73 1air n THR 163 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1air h THR 164 N 0.61 1.21 -2.65 4.28 2.02 -1.87 -3.19 112.91 113.32 1air h THR 164 Ca 0.02 -0.74 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 1air h THR 164 Cb 1.12 0.68 -0.21 0.00 -1.74 0.00 0.00 68.15 68.00 1air h THR 164 CO 0.07 0.28 -0.13 -0.36 0.37 0.00 0.00 175.52 175.75 1air s PHE 165 N -5.22 -0.40 0.34 3.16 0.08 -1.26 -3.90 117.98 110.77 1air s PHE 165 Ca -0.09 0.77 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 1air s PHE 165 Cb 0.16 0.20 0.07 0.00 -0.57 0.00 0.00 43.02 42.87 1air s PHE 165 CO 0.79 -0.40 0.46 0.39 -0.10 0.00 0.00 175.22 176.35 1air n GLU 166 N 1.64 0.20 -0.92 0.44 -0.58 -1.26 -4.86 120.64 115.28 1air n GLU 166 Ca -0.19 -1.17 -0.31 0.00 -0.42 0.00 0.00 57.16 55.07 1air n GLU 166 Cb 0.56 -0.33 0.14 0.00 -0.57 0.00 0.00 31.44 31.24 1air n GLU 166 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1air s SER 167 N -2.84 3.48 -0.17 1.62 0.01 -1.26 -4.76 113.70 109.78 1air s SER 167 Ca 0.30 2.11 -0.20 0.00 1.31 0.00 0.00 55.95 59.46 1air s SER 167 Cb -0.02 -2.56 -0.17 0.00 0.21 0.00 0.00 66.02 63.48 1air s SER 167 CO 0.20 -2.73 0.29 0.00 0.41 0.00 0.00 173.24 171.41 1air h ALA 168 N -1.51 0.14 -2.36 1.44 0.00 -0.99 -1.16 119.26 114.82 1air h ALA 168 Ca -0.44 -0.85 -0.52 0.00 0.00 0.00 0.00 54.91 53.11 1air h ALA 168 Cb 1.26 0.46 -0.36 0.00 0.00 0.00 0.00 17.79 19.15 1air h ALA 168 CO 0.45 0.44 -0.82 0.08 0.00 0.00 0.00 179.25 179.40 1air s VAL 169 N -2.25 0.02 -0.01 0.00 1.01 -0.28 -1.30 120.40 117.59 1air s VAL 169 Ca -0.22 -1.64 -0.21 0.00 0.00 0.00 0.00 61.98 59.91 1air s VAL 169 Cb 0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1air s VAL 169 CO 0.53 -0.90 0.62 -1.81 0.00 0.00 0.00 175.10 173.54 1air s ASP 170 N 1.02 7.00 -0.10 3.32 1.11 -0.70 -4.05 116.67 124.26 1air s ASP 170 Ca 0.20 1.19 0.02 0.00 0.18 0.00 0.00 52.55 54.14 1air s ASP 170 Cb -0.17 -2.38 0.01 0.00 1.07 0.00 0.00 42.92 41.45 1air s ASP 170 CO -0.03 0.06 -0.17 -0.63 1.18 0.00 0.00 175.17 175.59 1air s ILE 171 N -0.04 1.60 0.27 0.77 1.01 -0.38 -0.44 121.20 123.99 1air s ILE 171 Ca 0.32 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1air s ILE 171 Cb -0.18 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1air s ILE 171 CO 0.18 0.46 0.52 -1.59 0.00 0.00 0.00 174.94 174.51 1air s LYS 172 N 0.79 1.64 3.15 2.79 -2.85 -0.10 -1.19 119.74 123.98 1air s LYS 172 Ca -0.10 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 1air s LYS 172 Cb -0.16 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1air s LYS 172 CO 0.01 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.18 1air n GLY 173 N -0.41 0.20 1.78 0.59 0.00 -1.26 -1.75 105.19 104.32 1air n GLY 173 Ca -0.02 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1air n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1air n ALA 174 N 3.75 5.18 -2.14 4.61 0.00 -1.26 -4.65 120.51 126.00 1air n ALA 174 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 1air n ALA 174 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1air n ALA 174 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1air n SER 175 N 1.84 4.73 -0.24 0.00 7.64 -1.24 -3.76 113.62 122.59 1air n SER 175 Ca 0.22 -3.03 0.20 0.00 1.01 0.00 0.00 58.87 57.28 1air n SER 175 Cb 0.69 -1.53 0.53 0.00 -1.01 0.00 0.00 64.21 62.89 1air n SER 175 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1air h ASN 176 N 5.81 0.37 -3.29 6.43 -0.26 -1.83 -3.39 115.58 119.42 1air h ASN 176 Ca 0.45 0.04 -0.42 0.00 -0.56 0.00 0.00 56.30 55.81 1air h ASN 176 Cb 0.63 -0.03 -0.38 0.00 -1.06 0.00 0.00 38.32 37.48 1air h ASN 176 CO 1.71 0.14 -0.76 0.42 -1.06 0.00 0.00 177.43 177.88 1air s THR 177 N -5.38 0.32 -0.02 2.81 -4.23 -1.26 -0.85 115.64 107.02 1air s THR 177 Ca -0.08 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1air s THR 177 Cb 0.23 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1air s THR 177 CO 0.78 0.24 0.08 -0.69 -0.54 0.00 0.00 174.62 174.49 1air s VAL 178 N 1.88 0.02 -0.12 2.29 1.01 -1.09 -0.36 120.40 124.04 1air s VAL 178 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1air s VAL 178 Cb -0.12 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.09 1air s VAL 178 CO -0.04 -0.11 -0.16 -0.89 0.00 0.00 0.00 175.10 173.89 1air s THR 179 N -0.32 1.60 -0.26 3.92 2.01 -0.94 -1.52 115.64 120.13 1air s THR 179 Ca -0.04 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1air s THR 179 Cb -0.03 -1.46 0.06 0.00 0.01 0.00 0.00 72.50 71.09 1air s THR 179 CO 0.00 0.46 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.60 1air s VAL 180 N 1.02 2.22 0.04 3.82 1.01 -0.01 -0.94 120.40 127.56 1air s VAL 180 Ca -0.05 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1air s VAL 180 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1air s VAL 180 CO -0.03 -0.05 -0.05 -0.94 0.00 0.00 0.00 175.10 174.03 1air s SER 181 N 1.10 0.62 -1.28 3.32 1.04 -0.39 -1.58 113.70 116.52 1air s SER 181 Ca -0.08 -0.68 -0.05 0.00 0.48 0.00 0.00 55.95 55.62 1air s SER 181 Cb -0.20 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.05 1air s SER 181 CO -0.05 -0.35 0.31 -1.22 0.98 0.00 0.00 173.24 172.92 1air n TYR 182 N 1.04 -1.65 -3.72 5.02 4.01 -0.77 -1.27 117.16 119.82 1air n TYR 182 Ca -0.20 0.29 -0.35 0.00 -0.16 0.00 0.00 57.90 57.48 1air n TYR 182 Cb 0.57 -3.25 -0.05 0.00 -0.31 0.00 0.00 39.34 36.30 1air n TYR 182 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1air s ASN 183 N -2.44 6.53 -0.46 7.72 0.01 -1.26 -0.90 114.94 124.15 1air s ASN 183 Ca 0.22 0.61 -0.08 0.00 -0.71 0.00 0.00 52.86 52.89 1air s ASN 183 Cb -0.11 -2.11 0.11 0.00 0.41 0.00 0.00 41.25 39.56 1air s ASN 183 CO 0.27 0.24 0.31 -0.47 -1.51 0.00 0.00 177.10 175.94 1air s TYR 184 N -1.32 3.44 -0.26 2.20 5.04 0.23 -0.77 117.35 125.92 1air s TYR 184 Ca 0.29 -1.93 -0.08 0.00 -2.44 0.00 0.00 57.07 52.90 1air s TYR 184 Cb -0.13 -3.40 -0.02 0.00 0.35 0.00 0.00 41.96 38.76 1air s TYR 184 CO 0.16 -0.98 0.09 0.42 -1.34 0.00 0.00 175.55 173.91 1air s ILE 185 N 1.33 4.38 -0.04 3.14 1.01 -0.50 -1.29 121.20 129.23 1air s ILE 185 Ca 0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1air s ILE 185 Cb -0.25 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1air s ILE 185 CO -0.01 0.27 0.18 -1.38 0.00 0.00 0.00 174.94 174.01 1air s HIS 186 N 1.61 -0.12 -0.82 3.97 -3.43 -0.76 -1.55 115.29 114.20 1air s HIS 186 Ca 0.06 0.25 -0.03 0.00 -0.80 0.00 0.00 55.06 54.54 1air s HIS 186 Cb -0.16 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.03 1air s HIS 186 CO 0.04 -0.20 0.70 0.41 -2.00 0.00 0.00 174.74 173.69 1air n GLY 187 N 2.24 -0.03 3.02 -1.38 0.00 -0.18 -2.69 105.19 106.17 1air n GLY 187 Ca -0.17 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1air n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1air s VAL 188 N -3.21 1.30 -0.04 1.61 1.01 -1.12 -0.85 120.40 119.10 1air s VAL 188 Ca 0.20 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 1air s VAL 188 Cb -0.09 -1.21 -0.20 0.00 0.00 0.00 0.00 36.38 34.88 1air s VAL 188 CO 0.46 0.40 1.12 0.50 0.00 0.00 0.00 175.10 177.59 1air h LYS 189 N 7.44 -0.06 -4.58 2.72 3.64 -1.88 -2.45 116.57 121.41 1air h LYS 189 Ca -0.31 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.39 1air h LYS 189 Cb 1.17 0.01 -0.36 0.00 -0.41 0.00 0.00 32.23 32.64 1air h LYS 189 CO 0.47 0.48 -0.62 0.15 -2.27 0.00 0.00 179.45 177.66 1air s LYS 190 N -3.84 1.83 0.04 1.90 1.02 -1.26 -1.26 119.74 118.17 1air s LYS 190 Ca -0.16 -1.81 -0.30 0.00 0.02 0.00 0.00 55.97 53.72 1air s LYS 190 Cb 0.01 -3.42 -0.17 0.00 -0.52 0.00 0.00 37.83 33.72 1air s LYS 190 CO 0.63 -1.00 1.37 0.28 -0.92 0.00 0.00 175.35 175.71 1air h VAL 191 N 6.46 0.25 0.00 3.17 2.07 -1.44 -3.20 116.25 123.57 1air h VAL 191 Ca -0.10 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1air h VAL 191 Cb 1.04 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1air h VAL 191 CO 0.62 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1air n GLY 192 N -1.00 1.47 4.00 2.17 0.00 -0.77 -0.86 105.19 110.20 1air n GLY 192 Ca -0.13 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 1air n GLY 192 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1air s LEU 193 N 0.00 3.78 -0.47 0.99 0.05 -1.26 -2.62 118.68 119.15 1air s LEU 193 Ca 0.00 -0.26 0.04 0.00 0.05 0.00 0.00 54.13 53.96 1air s LEU 193 Cb 0.00 -2.74 0.16 0.00 -2.05 0.00 0.00 46.19 41.57 1air s LEU 193 CO 0.00 -0.63 0.35 -0.62 -0.55 0.00 0.00 176.35 174.90 1air s ASP 194 N -4.27 2.51 0.00 1.48 2.15 0.61 -1.25 116.67 117.91 1air s ASP 194 Ca 0.50 -3.10 0.00 0.00 0.43 0.00 0.00 52.55 50.38 1air s ASP 194 Cb -0.10 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.78 1air s ASP 194 CO 0.33 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 1air n GLY 195 N 2.85 3.02 0.07 2.66 0.00 -0.33 -0.84 105.19 112.62 1air n GLY 195 Ca 0.24 -1.23 0.12 0.00 0.00 0.00 0.00 46.02 45.15 1air n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1air n SER 196 N 0.00 0.72 -3.01 1.61 3.41 -1.26 -4.78 113.62 110.30 1air n SER 196 Ca 0.00 0.28 -0.11 0.00 -0.26 0.00 0.00 58.87 58.78 1air n SER 196 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1air n SER 196 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1air s SER 197 N -4.25 0.32 0.52 4.04 1.04 -1.26 -5.00 113.70 109.11 1air s SER 197 Ca 0.08 -1.27 0.24 0.00 0.48 0.00 0.00 55.95 55.49 1air s SER 197 Cb 0.13 0.79 1.44 0.00 0.10 0.00 0.00 66.02 68.48 1air s SER 197 CO 0.67 -1.57 2.11 0.28 0.98 0.00 0.00 173.24 175.71 1air h SER 198 N 2.03 0.00 0.84 7.02 0.02 -2.00 -1.41 113.55 120.05 1air h SER 198 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1air h SER 198 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1air h SER 198 CO 0.40 0.10 -0.91 -1.54 -1.14 0.00 0.00 176.83 173.74 1air n SER 199 N -3.91 0.74 -3.31 3.07 3.41 -1.26 -4.40 113.62 107.97 1air n SER 199 Ca -0.02 0.16 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 1air n SER 199 Cb 0.19 0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1air n SER 199 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1air n ASP 200 N -2.37 8.09 -4.91 4.04 2.03 -0.53 -4.93 116.55 117.97 1air n ASP 200 Ca 0.01 -2.94 -0.31 0.00 0.52 0.00 0.00 54.79 52.07 1air n ASP 200 Cb 0.50 -1.42 -0.04 0.00 -0.72 0.00 0.00 41.12 39.43 1air n ASP 200 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1air s THR 201 N -0.08 5.24 -2.65 5.18 -4.23 -1.26 -4.32 115.64 113.52 1air s THR 201 Ca 0.60 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1air s THR 201 Cb 0.20 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1air s THR 201 CO -0.09 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1air n GLY 202 N 0.12 0.70 0.00 3.99 0.00 -1.07 -4.84 105.19 104.09 1air n GLY 202 Ca -0.03 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1air n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1air n ARG 203 N 0.00 0.00 -3.81 1.61 1.74 -1.26 -3.86 116.66 111.08 1air n ARG 203 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1air n ARG 203 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 1air n ARG 203 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1air s ASN 204 N -3.67 4.12 0.05 0.55 0.02 -0.03 -1.61 114.94 114.37 1air s ASN 204 Ca 0.00 -1.67 0.04 0.00 -1.02 0.00 0.00 52.86 50.21 1air s ASN 204 Cb 0.00 -1.04 -0.04 0.00 0.02 0.00 0.00 41.25 40.19 1air s ASN 204 CO 0.00 -0.39 -0.06 -0.63 0.02 0.00 0.00 177.10 176.05 1air s ILE 205 N 1.46 3.69 -0.09 0.60 -1.09 -0.68 -2.66 121.20 122.42 1air s ILE 205 Ca 0.08 -0.94 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 1air s ILE 205 Cb -0.18 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 1air s ILE 205 CO -0.19 0.25 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.70 1air s THR 206 N -1.13 1.63 -0.27 2.92 2.01 -0.57 -1.07 115.64 119.15 1air s THR 206 Ca 0.20 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1air s THR 206 Cb -0.11 -1.45 0.06 0.00 0.01 0.00 0.00 72.50 71.01 1air s THR 206 CO 0.12 0.47 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.12 1air s TYR 207 N 0.64 3.28 0.00 4.92 1.51 0.08 -0.83 117.35 126.94 1air s TYR 207 Ca -0.14 -2.26 0.01 0.00 -1.01 0.00 0.00 57.07 53.68 1air s TYR 207 Cb -0.16 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1air s TYR 207 CO 0.04 -0.87 -0.05 -3.38 -1.11 0.00 0.00 175.55 170.19 1air s HIS 208 N 1.12 0.41 -1.47 2.71 -3.43 -0.61 -1.65 115.29 112.36 1air s HIS 208 Ca -0.08 -0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.04 1air s HIS 208 Cb -0.20 -0.26 0.00 0.00 -1.43 0.00 0.00 32.58 30.69 1air s HIS 208 CO -0.04 -0.02 0.24 0.72 -2.00 0.00 0.00 174.74 173.63 1air n HIS 209 N 2.82 -1.24 -3.63 0.38 8.25 -0.98 -1.84 115.22 118.98 1air n HIS 209 Ca -0.14 0.20 -0.34 0.00 -0.26 0.00 0.00 57.72 57.19 1air n HIS 209 Cb 0.58 -3.80 -0.05 0.00 1.12 0.00 0.00 29.99 27.83 1air n HIS 209 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1air s ASN 210 N -2.43 6.58 -0.33 0.41 0.01 -1.26 -2.63 114.94 115.29 1air s ASN 210 Ca 0.12 0.70 -0.02 0.00 -0.71 0.00 0.00 52.86 52.95 1air s ASN 210 Cb -0.05 -2.14 0.06 0.00 0.41 0.00 0.00 41.25 39.53 1air s ASN 210 CO 0.14 0.15 0.06 -0.47 -1.51 0.00 0.00 177.10 175.48 1air s TYR 211 N -1.45 3.35 -0.17 2.20 5.04 0.05 -0.47 117.35 125.91 1air s TYR 211 Ca 0.34 -1.98 -0.08 0.00 -2.44 0.00 0.00 57.07 52.91 1air s TYR 211 Cb -0.13 -2.42 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1air s TYR 211 CO 0.19 -0.84 0.11 0.71 -1.34 0.00 0.00 175.55 174.39 1air s TYR 212 N 1.23 3.42 -0.16 4.97 2.02 -0.14 -1.41 117.35 127.29 1air s TYR 212 Ca -0.01 0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 56.97 1air s TYR 212 Cb -0.20 -2.06 0.08 0.00 -0.40 0.00 0.00 41.96 39.38 1air s TYR 212 CO -0.02 0.41 0.30 1.21 -1.57 0.00 0.00 175.55 175.89 1air s ASN 213 N -0.14 0.26 -0.51 2.29 2.47 -0.60 -2.18 114.94 116.53 1air s ASN 213 Ca 0.10 0.62 -0.00 0.00 0.42 0.00 0.00 52.86 54.00 1air s ASN 213 Cb -0.12 0.86 -0.00 0.00 -1.45 0.00 0.00 41.25 40.55 1air s ASN 213 CO 0.00 -0.25 0.48 -0.67 -3.72 0.00 0.00 177.10 172.95 1air n ASP 214 N 5.36 -5.83 -4.14 -4.21 2.03 -0.76 -2.30 116.55 106.69 1air n ASP 214 Ca -0.06 -0.08 -0.16 0.00 0.52 0.00 0.00 54.79 55.01 1air n ASP 214 Cb 0.50 -3.87 -0.12 0.00 -0.72 0.00 0.00 41.12 36.91 1air n ASP 214 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1air s VAL 215 N -3.02 0.93 -0.18 5.18 -7.23 -0.78 -1.01 120.40 114.29 1air s VAL 215 Ca 0.02 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 1air s VAL 215 Cb -0.00 -0.96 -0.16 0.00 0.56 0.00 0.00 36.38 35.81 1air s VAL 215 CO 0.50 -0.31 0.20 -1.13 -0.31 0.00 0.00 175.10 174.06 1air h ASN 216 N 4.28 0.00 -5.10 4.85 -1.24 -1.32 0.77 115.58 117.81 1air h ASN 216 Ca -0.39 -0.45 -0.05 0.00 0.71 0.00 0.00 56.30 56.12 1air h ASN 216 Cb 1.19 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.22 1air h ASN 216 CO 0.42 1.24 0.17 0.00 -1.29 0.00 0.00 177.43 177.96 1air s ALA 217 N -2.42 -0.55 -0.44 1.57 0.00 -0.39 -0.02 121.76 119.51 1air s ALA 217 Ca -0.23 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1air s ALA 217 Cb 0.04 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1air s ALA 217 CO 0.50 -0.96 0.47 0.54 0.00 0.00 0.00 175.76 176.32 1air n ARG 218 N -0.52 -1.23 -2.22 0.00 1.74 -1.24 -1.61 116.66 111.58 1air n ARG 218 Ca -0.06 1.38 -0.24 0.00 -0.77 0.00 0.00 57.85 58.16 1air n ARG 218 Cb 0.60 -4.50 0.01 0.00 -1.02 0.00 0.00 32.46 27.55 1air n ARG 218 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1air n LEU 219 N -1.08 4.70 0.00 0.55 4.77 -0.84 -1.85 117.00 123.25 1air n LEU 219 Ca 0.03 -4.86 -0.15 0.00 -0.03 0.00 0.00 56.01 51.00 1air n LEU 219 Cb 0.43 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1air n LEU 219 CO 0.36 2.12 0.26 -0.81 -1.33 0.00 0.00 177.39 177.99 1air n PRO 220 N -0.61 0.71 -3.22 3.23 -0.04 -1.26 -4.47 135.00 129.33 1air n PRO 220 Ca 0.41 -2.43 -0.44 0.00 -0.04 0.00 0.00 63.50 60.99 1air n PRO 220 Cb 0.85 -0.14 -0.06 0.00 -0.04 0.00 0.00 33.50 34.12 1air n PRO 220 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1air s LEU 221 N 0.00 5.41 -0.13 1.53 0.20 -1.08 -1.91 118.68 122.70 1air s LEU 221 Ca 0.44 -1.27 -0.15 0.00 0.69 0.00 0.00 54.13 53.84 1air s LEU 221 Cb -0.04 -2.31 -0.05 0.00 -0.43 0.00 0.00 46.19 43.37 1air s LEU 221 CO 0.28 -0.89 0.35 -1.58 -0.29 0.00 0.00 176.35 174.22 1air s GLN 222 N 2.27 4.22 -0.35 1.98 0.74 -0.38 -0.28 119.66 127.86 1air s GLN 222 Ca 0.10 0.22 0.03 0.00 0.05 0.00 0.00 55.36 55.76 1air s GLN 222 Cb -0.23 -3.40 0.10 0.00 1.10 0.00 0.00 33.01 30.58 1air s GLN 222 CO 0.08 0.27 0.06 1.03 -0.55 0.00 0.00 175.29 176.19 1air s ARG 223 N 0.32 1.53 1.74 1.67 0.52 -0.02 -0.89 118.95 123.82 1air s ARG 223 Ca 0.20 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 1air s ARG 223 Cb -0.14 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.09 1air s ARG 223 CO 0.07 -0.95 0.00 0.41 0.02 0.00 0.00 175.30 174.85 1air n GLY 224 N 4.28 -1.25 7.00 -3.53 0.00 -0.66 -2.60 105.19 108.43 1air n GLY 224 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1air n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1air n GLY 225 N 0.00 0.82 3.13 -0.02 0.00 -1.25 -4.43 105.19 103.44 1air n GLY 225 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1air n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1air s LEU 226 N 0.00 2.11 -0.04 0.99 1.43 -0.63 -1.03 118.68 121.51 1air s LEU 226 Ca 0.00 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1air s LEU 226 Cb 0.00 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.57 1air s LEU 226 CO 0.00 0.10 -0.05 -0.69 0.23 0.00 0.00 176.35 175.94 1air s VAL 227 N -0.62 0.55 -0.30 -1.59 1.01 -0.47 -1.69 120.40 117.28 1air s VAL 227 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1air s VAL 227 Cb -0.07 -0.56 0.07 0.00 0.00 0.00 0.00 36.38 35.82 1air s VAL 227 CO 0.01 0.22 -0.01 -2.28 0.00 0.00 0.00 175.10 173.03 1air s HIS 228 N 0.83 3.37 -0.29 5.22 5.04 -0.24 -1.26 115.29 127.96 1air s HIS 228 Ca -0.11 -2.25 -0.05 0.00 -1.54 0.00 0.00 55.06 51.10 1air s HIS 228 Cb -0.14 -2.26 0.02 0.00 0.04 0.00 0.00 32.58 30.24 1air s HIS 228 CO 0.00 -0.87 0.05 0.00 -2.34 0.00 0.00 174.74 171.58 1air s ALA 229 N 1.14 2.96 0.01 1.58 0.00 -0.61 -0.74 121.76 126.10 1air s ALA 229 Ca -0.03 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1air s ALA 229 Cb -0.20 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1air s ALA 229 CO -0.04 -1.00 -0.04 1.52 0.00 0.00 0.00 175.76 176.20 1air s TYR 230 N 1.42 0.35 -1.51 0.00 -0.85 -0.66 -1.81 117.35 114.30 1air s TYR 230 Ca 0.01 -0.28 -0.06 0.00 -0.52 0.00 0.00 57.07 56.21 1air s TYR 230 Cb -0.18 -0.22 0.02 0.00 0.38 0.00 0.00 41.96 41.96 1air s TYR 230 CO 0.01 -0.07 0.69 0.09 -1.52 0.00 0.00 175.55 174.74 1air n ASN 231 N 2.27 -5.91 -4.90 -0.18 5.03 -1.01 -2.31 115.26 108.25 1air n ASN 231 Ca -0.18 -0.35 -0.33 0.00 0.87 0.00 0.00 54.58 54.60 1air n ASN 231 Cb 0.57 -4.76 -0.05 0.00 -1.02 0.00 0.00 39.78 34.52 1air n ASN 231 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1air s ASN 232 N -2.81 6.32 -0.34 6.41 0.01 -1.26 -2.32 114.94 120.95 1air s ASN 232 Ca 0.36 0.31 -0.09 0.00 -0.71 0.00 0.00 52.86 52.73 1air s ASN 232 Cb -0.16 -1.96 0.01 0.00 0.41 0.00 0.00 41.25 39.55 1air s ASN 232 CO 0.45 0.23 0.16 -0.22 -1.51 0.00 0.00 177.10 176.21 1air s LEU 233 N -2.11 4.36 -0.42 0.60 0.20 0.38 -1.77 118.68 119.92 1air s LEU 233 Ca 0.29 -0.81 -0.09 0.00 0.69 0.00 0.00 54.13 54.21 1air s LEU 233 Cb -0.13 -1.98 0.09 0.00 -0.43 0.00 0.00 46.19 43.74 1air s LEU 233 CO 0.21 -0.29 0.27 -0.31 -0.29 0.00 0.00 176.35 175.94 1air s TYR 234 N 1.55 3.36 0.03 5.38 2.02 0.61 -0.96 117.35 129.34 1air s TYR 234 Ca 0.03 -1.62 0.05 0.00 -0.37 0.00 0.00 57.07 55.16 1air s TYR 234 Cb -0.18 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.32 1air s TYR 234 CO 0.06 -0.87 -0.16 0.95 -1.57 0.00 0.00 175.55 173.95 1air s THR 235 N 1.40 1.27 -0.95 -0.71 -4.23 -0.93 -0.62 115.64 110.88 1air s THR 235 Ca 0.04 -1.01 -0.08 0.00 -1.18 0.00 0.00 61.69 59.45 1air s THR 235 Cb -0.23 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 1air s THR 235 CO 0.01 0.10 0.76 0.59 -0.54 0.00 0.00 174.62 175.54 1air n ASN 236 N 1.98 -6.27 -4.49 3.99 3.02 -0.61 -2.75 115.26 110.14 1air n ASN 236 Ca -0.17 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1air n ASN 236 Cb 0.54 -4.03 -0.10 0.00 -0.61 0.00 0.00 39.78 35.58 1air n ASN 236 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1air s ILE 237 N -3.23 5.25 -2.02 2.41 1.01 -0.36 -1.84 121.20 122.43 1air s ILE 237 Ca 0.25 -0.42 0.28 0.00 0.00 0.00 0.00 60.65 60.76 1air s ILE 237 Cb -0.07 -3.85 0.49 0.00 0.01 0.00 0.00 42.46 39.04 1air s ILE 237 CO 0.81 -0.19 1.79 0.35 0.00 0.00 0.00 174.94 177.70 1air n THR 238 N 5.17 0.00 0.13 2.92 -2.24 0.26 -1.93 114.28 118.58 1air n THR 238 Ca -0.11 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1air n THR 238 Cb 0.48 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1air n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1air n GLY 239 N 1.23 -0.27 3.55 3.38 0.00 0.97 -4.89 105.19 109.15 1air n GLY 239 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1air n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1air s SER 240 N -5.21 -0.37 0.00 1.61 1.04 -0.57 -4.47 113.70 105.72 1air s SER 240 Ca 0.00 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1air s SER 240 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1air s SER 240 CO 0.00 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1air n GLY 241 N 0.33 0.23 3.65 7.32 0.00 0.13 -3.80 105.19 113.05 1air n GLY 241 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1air n GLY 241 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1air s LEU 242 N 0.00 4.07 -0.46 0.99 1.02 -0.36 -1.99 118.68 121.96 1air s LEU 242 Ca 0.00 1.37 -0.05 0.00 0.02 0.00 0.00 54.13 55.47 1air s LEU 242 Cb 0.00 -3.54 0.12 0.00 0.02 0.00 0.00 46.19 42.79 1air s LEU 242 CO 0.00 -0.75 0.29 0.21 0.02 0.00 0.00 176.35 176.12 1air s ASN 243 N 1.53 5.44 -0.49 2.29 3.84 -0.80 -1.09 114.94 125.66 1air s ASN 243 Ca 0.47 -2.08 -0.23 0.00 0.21 0.00 0.00 52.86 51.23 1air s ASN 243 Cb -0.16 -1.90 0.03 0.00 -0.55 0.00 0.00 41.25 38.67 1air s ASN 243 CO 0.10 -0.58 0.83 -0.69 -2.79 0.00 0.00 177.10 173.97 1air s VAL 244 N 1.08 4.57 0.45 -5.21 1.01 -0.18 -1.25 120.40 120.87 1air s VAL 244 Ca 0.08 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1air s VAL 244 Cb -0.24 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1air s VAL 244 CO -0.03 -0.87 0.03 -0.13 0.00 0.00 0.00 175.10 174.10 1air s ARG 245 N 3.47 2.02 -1.49 2.72 0.52 -0.07 -1.90 118.95 124.22 1air s ARG 245 Ca 0.29 -2.23 -0.02 0.00 -0.52 0.00 0.00 55.73 53.24 1air s ARG 245 Cb -0.13 -1.33 0.02 0.00 0.52 0.00 0.00 34.95 34.03 1air s ARG 245 CO 0.20 -0.28 0.32 1.04 0.02 0.00 0.00 175.30 176.60 1air n GLN 246 N -1.06 -2.43 -1.91 3.54 1.13 -0.84 -0.71 117.38 115.10 1air n GLN 246 Ca -0.11 0.29 -0.20 0.00 -1.94 0.00 0.00 57.00 55.04 1air n GLN 246 Cb 0.67 -4.27 -0.05 0.00 0.11 0.00 0.00 30.24 26.69 1air n GLN 246 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1air n ASN 247 N -2.91 -5.48 -4.73 1.08 5.03 -0.07 -3.32 115.26 104.86 1air n ASN 247 Ca -0.27 0.28 -0.30 0.00 0.87 0.00 0.00 54.58 55.15 1air n ASN 247 Cb 0.67 -4.63 0.13 0.00 -1.02 0.00 0.00 39.78 34.93 1air n ASN 247 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1air s GLY 248 N -2.51 1.63 -0.04 7.41 0.00 0.11 -4.68 107.32 109.23 1air s GLY 248 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.74 1air s GLY 248 CO 0.00 0.43 -0.21 1.20 0.00 0.00 0.00 173.10 174.52 1air s GLN 249 N -4.95 2.09 0.01 2.90 -0.21 -0.19 -1.22 119.66 118.08 1air s GLN 249 Ca 0.63 -0.75 0.04 0.00 0.02 0.00 0.00 55.36 55.29 1air s GLN 249 Cb -0.17 -1.82 -0.01 0.00 1.00 0.00 0.00 33.01 32.00 1air s GLN 249 CO 0.56 0.33 -0.12 0.00 -2.12 0.00 0.00 175.29 173.95 1air s ALA 250 N -0.13 0.95 -0.30 6.09 0.00 -0.40 -1.37 121.76 126.61 1air s ALA 250 Ca -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 1air s ALA 250 Cb -0.12 -0.19 0.05 0.00 0.00 0.00 0.00 23.12 22.86 1air s ALA 250 CO 0.02 0.20 -0.01 -1.17 0.00 0.00 0.00 175.76 174.80 1air s LEU 251 N -0.63 3.84 -0.46 0.00 2.96 -0.39 -0.98 118.68 123.03 1air s LEU 251 Ca 0.02 -1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 52.60 1air s LEU 251 Cb -0.06 -1.70 0.12 0.00 0.50 0.00 0.00 46.19 45.05 1air s LEU 251 CO 0.00 -0.25 0.30 -0.63 -1.32 0.00 0.00 176.35 174.45 1air s ILE 252 N 1.24 3.87 -0.02 6.68 1.01 0.10 -1.57 121.20 132.51 1air s ILE 252 Ca -0.05 -1.94 0.04 0.00 0.00 0.00 0.00 60.65 58.70 1air s ILE 252 Cb -0.20 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 1air s ILE 252 CO -0.01 -0.75 -0.14 -1.83 0.00 0.00 0.00 174.94 172.20 1air s GLU 253 N 1.22 1.19 -1.38 2.79 -1.05 -0.75 -1.98 118.70 118.74 1air s GLU 253 Ca 0.07 -0.50 -0.05 0.00 -0.15 0.00 0.00 54.97 54.34 1air s GLU 253 Cb -0.25 -1.13 0.03 0.00 -0.44 0.00 0.00 34.13 32.34 1air s GLU 253 CO -0.02 0.28 0.83 0.09 0.95 0.00 0.00 175.26 177.39 1air n ASN 254 N 2.83 -2.65 -4.79 0.83 4.13 0.04 -2.65 115.26 112.99 1air n ASN 254 Ca -0.15 -0.79 -0.22 0.00 1.68 0.00 0.00 54.58 55.10 1air n ASN 254 Cb 0.55 -4.08 -0.05 0.00 -1.54 0.00 0.00 39.78 34.65 1air n ASN 254 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1air s ASN 255 N -3.96 4.93 -0.17 6.41 0.01 -1.26 -2.39 114.94 118.50 1air s ASN 255 Ca 0.25 -0.69 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 1air s ASN 255 Cb -0.12 -0.78 0.02 0.00 0.41 0.00 0.00 41.25 40.77 1air s ASN 255 CO 0.81 -0.37 -0.18 0.86 -1.51 0.00 0.00 177.10 176.70 1air s TRP 256 N -2.40 2.61 -0.02 2.20 -0.11 -0.73 -1.64 118.94 118.86 1air s TRP 256 Ca 0.40 -1.53 0.03 0.00 1.22 0.00 0.00 56.10 56.22 1air s TRP 256 Cb -0.03 -1.83 -0.03 0.00 -1.50 0.00 0.00 33.47 30.07 1air s TRP 256 CO 0.25 -0.77 -0.08 -0.06 -4.62 0.00 0.00 176.95 171.67 1air s PHE 257 N 1.33 2.88 -0.28 5.86 0.40 -1.26 -0.28 117.98 126.63 1air s PHE 257 Ca 0.05 -0.04 -0.21 0.00 -0.60 0.00 0.00 56.93 56.14 1air s PHE 257 Cb -0.13 -1.64 0.10 0.00 0.51 0.00 0.00 43.02 41.86 1air s PHE 257 CO -0.12 0.34 0.82 -2.00 0.70 0.00 0.00 175.22 174.96 1air s GLU 258 N -1.16 0.65 -1.00 0.44 2.12 0.21 -4.90 118.70 115.07 1air s GLU 258 Ca 0.15 0.93 -0.12 0.00 0.36 0.00 0.00 54.97 56.29 1air s GLU 258 Cb -0.11 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 1air s GLU 258 CO 0.05 -0.10 0.77 1.63 -0.54 0.00 0.00 175.26 177.06 1air n LYS 259 N 3.27 -1.44 -4.30 4.30 5.02 -0.18 -1.89 118.16 122.95 1air n LYS 259 Ca -0.16 0.78 -0.19 0.00 -2.02 0.00 0.00 58.31 56.72 1air n LYS 259 Cb 0.57 -4.48 -0.15 0.00 -0.02 0.00 0.00 35.03 30.95 1air n LYS 259 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1air s ALA 260 N -3.29 0.70 -0.15 7.82 0.00 -0.99 -1.23 121.76 124.63 1air s ALA 260 Ca 0.31 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 1air s ALA 260 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1air s ALA 260 CO 0.82 0.12 0.08 0.42 0.00 0.00 0.00 175.76 177.21 1air s ILE 261 N 0.10 4.97 -1.27 0.00 1.01 -0.81 -1.65 121.20 123.56 1air s ILE 261 Ca -0.01 0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 1air s ILE 261 Cb -0.06 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.23 1air s ILE 261 CO 0.00 0.53 0.58 0.59 0.00 0.00 0.00 174.94 176.64 1air n ASN 262 N 2.79 -3.24 -0.04 3.58 3.02 0.15 -3.49 115.26 118.03 1air n ASN 262 Ca -0.18 -1.21 0.10 0.00 -0.03 0.00 0.00 54.58 53.26 1air n ASN 262 Cb 0.53 -2.17 0.49 0.00 -0.61 0.00 0.00 39.78 38.02 1air n ASN 262 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1air h PRO 263 N -2.28 0.41 -3.39 3.52 0.13 -1.81 0.39 132.00 128.97 1air h PRO 263 Ca -0.69 -0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 63.98 1air h PRO 263 Cb 1.39 -0.09 -0.39 0.00 0.13 0.00 0.00 31.00 32.04 1air h PRO 263 CO 0.55 0.27 -0.75 0.08 -0.23 0.00 0.00 178.00 177.92 1air s VAL 264 N -5.40 0.14 0.32 1.56 1.01 -1.26 -1.22 120.40 115.55 1air s VAL 264 Ca -0.08 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 1air s VAL 264 Cb 0.19 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1air s VAL 264 CO 0.74 0.02 0.54 0.28 0.00 0.00 0.00 175.10 176.69 1air s THR 265 N 2.05 0.00 -0.29 3.92 -1.32 -0.25 -2.11 115.64 117.65 1air s THR 265 Ca 0.03 -1.40 -0.03 0.00 -1.21 0.00 0.00 61.69 59.08 1air s THR 265 Cb -0.14 -2.52 0.11 0.00 -1.51 0.00 0.00 72.50 68.44 1air s THR 265 CO -0.06 0.00 0.20 -0.55 -2.21 0.00 0.00 174.62 172.00 1air s SER 266 N -3.12 2.70 0.14 8.08 0.15 0.12 -1.01 113.70 120.75 1air s SER 266 Ca 0.24 -1.03 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 1air s SER 266 Cb -0.02 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1air s SER 266 CO 0.14 -0.41 0.22 0.00 1.20 0.00 0.00 173.24 174.39 1air s ARG 267 N 2.21 1.03 0.00 5.44 1.70 -1.26 -1.59 118.95 126.48 1air s ARG 267 Ca 0.09 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 54.19 1air s ARG 267 Cb -0.15 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1air s ARG 267 CO -0.34 -0.35 0.00 0.66 -1.08 0.00 0.00 175.30 174.18 1air n TYR 268 N -0.15 0.00 -0.08 5.89 4.01 -1.26 -4.88 117.16 120.69 1air n TYR 268 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 1air n TYR 268 Cb 0.63 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.53 1air n TYR 268 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1air n ASP 269 N 0.00 1.19 0.00 7.72 8.00 -1.26 -4.99 116.55 127.21 1air n ASP 269 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1air n ASP 269 Cb 0.00 0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1air n ASP 269 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1air n GLY 270 N 2.07 0.92 3.83 0.44 0.00 -1.23 -4.97 105.19 106.27 1air n GLY 270 Ca -0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 1air n GLY 270 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1air s LYS 271 N -0.10 1.80 -1.33 1.61 -2.85 -1.26 -4.53 119.74 113.08 1air s LYS 271 Ca 0.00 -1.14 -0.07 0.00 -1.00 0.00 0.00 55.97 53.76 1air s LYS 271 Cb 0.00 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 1air s LYS 271 CO 0.00 -0.84 0.52 0.09 0.10 0.00 0.00 175.35 175.22 1air n ASN 272 N -1.20 -1.75 -4.76 0.03 3.02 -1.26 -4.65 115.26 104.69 1air n ASN 272 Ca -0.06 -1.03 -0.39 0.00 -0.03 0.00 0.00 54.58 53.07 1air n ASN 272 Cb 0.60 -3.05 0.01 0.00 -0.61 0.00 0.00 39.78 36.73 1air n ASN 272 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1air s PHE 273 N -3.82 2.62 0.74 3.10 0.08 -1.26 -0.89 117.98 118.54 1air s PHE 273 Ca 0.15 1.39 -0.06 0.00 0.12 0.00 0.00 56.93 58.52 1air s PHE 273 Cb -0.06 -3.71 0.16 0.00 -0.57 0.00 0.00 43.02 38.84 1air s PHE 273 CO 0.89 -2.39 1.01 0.41 -0.10 0.00 0.00 175.22 175.04 1air n GLY 274 N 0.63 -0.20 3.41 4.36 0.00 -0.80 -3.89 105.19 108.69 1air n GLY 274 Ca 0.06 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 1air n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1air s THR 275 N -3.07 2.01 -0.01 2.61 -4.23 -0.36 -4.92 115.64 107.67 1air s THR 275 Ca 0.62 -2.27 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 1air s THR 275 Cb -0.03 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1air s THR 275 CO 0.42 -0.48 0.09 -1.66 -0.54 0.00 0.00 174.62 172.46 1air s TRP 276 N -2.80 0.01 -0.26 3.99 -2.14 -1.26 -1.27 118.94 115.20 1air s TRP 276 Ca 0.26 -0.01 -0.04 0.00 2.66 0.00 0.00 56.10 58.98 1air s TRP 276 Cb -0.02 -0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.34 1air s TRP 276 CO 0.11 -0.16 -0.01 0.08 -2.66 0.00 0.00 176.95 174.30 1air s VAL 277 N -0.73 3.30 -0.19 -0.66 1.01 -0.15 -1.04 120.40 121.93 1air s VAL 277 Ca -0.08 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 1air s VAL 277 Cb -0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1air s VAL 277 CO 0.00 0.16 0.08 -0.76 0.00 0.00 0.00 175.10 174.59 1air s LEU 278 N 1.40 3.88 -0.28 3.92 1.43 -1.26 -0.72 118.68 127.04 1air s LEU 278 Ca 0.01 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 1air s LEU 278 Cb -0.17 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.16 1air s LEU 278 CO -0.02 0.16 0.79 -1.59 0.23 0.00 0.00 176.35 175.92 1air s LYS 279 N 0.46 0.67 0.00 1.70 -2.85 -0.84 -4.80 119.74 114.08 1air s LYS 279 Ca 0.04 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.01 1air s LYS 279 Cb -0.12 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1air s LYS 279 CO 0.00 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.75 1air n GLY 280 N 3.54 0.36 3.85 0.59 0.00 -1.26 -0.78 105.19 111.49 1air n GLY 280 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1air n GLY 280 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1air s ASN 281 N -2.03 4.05 0.40 1.61 0.01 -1.26 -3.39 114.94 114.34 1air s ASN 281 Ca 0.00 0.86 0.15 0.00 -0.71 0.00 0.00 52.86 53.15 1air s ASN 281 Cb 0.00 -1.38 0.85 0.00 0.41 0.00 0.00 41.25 41.13 1air s ASN 281 CO 0.00 -2.20 1.88 -0.55 -1.51 0.00 0.00 177.10 174.73 1air h ASN 282 N -1.26 0.00 -3.47 -1.22 -1.07 -1.68 -3.39 115.58 103.49 1air h ASN 282 Ca -0.48 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 55.29 1air h ASN 282 Cb 1.33 0.00 -0.11 0.00 -2.07 0.00 0.00 38.32 37.47 1air h ASN 282 CO 0.64 0.30 0.07 -0.63 0.07 0.00 0.00 177.43 177.88 1air s ILE 283 N -4.27 5.04 -0.03 6.14 1.01 -1.26 -4.91 121.20 122.92 1air s ILE 283 Ca -0.03 1.06 0.06 0.00 0.00 0.00 0.00 60.65 61.74 1air s ILE 283 Cb 0.14 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 1air s ILE 283 CO 0.70 0.10 0.09 0.35 0.00 0.00 0.00 174.94 176.19 1air n THR 284 N 4.86 0.20 -3.68 2.92 -2.24 -1.26 -4.89 114.28 110.18 1air n THR 284 Ca -0.03 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 1air n THR 284 Cb 0.50 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1air n THR 284 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1air s LYS 285 N -2.33 1.29 0.58 -0.78 -2.85 -1.26 -4.99 119.74 109.40 1air s LYS 285 Ca -0.03 -0.79 0.30 0.00 -1.00 0.00 0.00 55.97 54.45 1air s LYS 285 Cb 0.03 0.51 1.44 0.00 -2.06 0.00 0.00 37.83 37.76 1air s LYS 285 CO 0.27 -0.54 1.84 -1.35 0.10 0.00 0.00 175.35 175.68 1air h PRO 286 N 2.22 0.00 -0.36 1.78 0.11 -1.85 -0.49 132.00 133.40 1air h PRO 286 Ca -0.31 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.87 1air h PRO 286 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1air h PRO 286 CO 0.40 0.00 0.25 0.00 -0.21 0.00 0.00 178.00 178.44 1air h ALA 287 N 1.40 2.09 0.00 -0.75 0.00 -1.96 -1.61 119.26 118.43 1air h ALA 287 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1air h ALA 287 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1air h ALA 287 CO -0.00 -0.16 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 1air n ASP 288 N -4.47 0.72 -0.09 0.00 8.00 -0.19 -3.59 116.55 116.93 1air n ASP 288 Ca 0.05 0.64 -0.07 0.00 0.71 0.00 0.00 54.79 56.12 1air n ASP 288 Cb 0.29 -0.80 0.01 0.00 -0.02 0.00 0.00 41.12 40.59 1air n ASP 288 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1air h PHE 289 N 0.00 0.14 -0.79 1.24 0.04 -1.45 -1.74 116.94 114.38 1air h PHE 289 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1air h PHE 289 Cb 0.49 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 1air h PHE 289 CO 0.00 0.05 0.44 0.66 -0.60 0.00 0.00 178.31 178.85 1air h SER 290 N 0.21 0.99 -0.48 2.17 4.64 -1.76 0.06 113.55 119.37 1air h SER 290 Ca 0.15 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1air h SER 290 Cb 0.15 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 1air h SER 290 CO -0.18 0.80 0.25 0.74 -0.87 0.00 0.00 176.83 177.57 1air h THR 291 N 1.10 0.99 -0.64 2.95 2.02 -1.57 -2.97 112.91 114.79 1air h THR 291 Ca 0.28 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1air h THR 291 Cb 0.03 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1air h THR 291 CO -0.05 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.72 1air n TYR 292 N -4.87 1.24 -3.49 3.16 4.01 -0.72 -4.99 117.16 111.50 1air n TYR 292 Ca 0.03 -0.58 -0.24 0.00 -0.16 0.00 0.00 57.90 56.95 1air n TYR 292 Cb 0.11 -0.16 0.06 0.00 -0.31 0.00 0.00 39.34 39.04 1air n TYR 292 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1air n SER 293 N 1.18 -5.90 -4.41 7.72 7.64 -0.12 -1.01 113.62 118.73 1air n SER 293 Ca 0.24 -0.88 -0.36 0.00 1.01 0.00 0.00 58.87 58.87 1air n SER 293 Cb 0.77 -4.18 -0.13 0.00 -1.01 0.00 0.00 64.21 59.67 1air n SER 293 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1air s ILE 294 N -3.43 4.14 0.26 0.44 -1.09 -0.45 -2.34 121.20 118.74 1air s ILE 294 Ca 0.47 -0.30 0.10 0.00 -2.23 0.00 0.00 60.65 58.70 1air s ILE 294 Cb -0.12 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 1air s ILE 294 CO 0.81 0.30 -0.09 0.42 -1.23 0.00 0.00 174.94 175.15 1air s THR 295 N 1.58 3.05 0.07 2.92 -4.23 -0.66 -4.66 115.64 113.71 1air s THR 295 Ca 0.06 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 1air s THR 295 Cb -0.15 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1air s THR 295 CO 0.03 -0.36 -0.16 0.26 -0.54 0.00 0.00 174.62 173.85 1air s TRP 296 N -2.32 1.34 0.17 3.99 0.52 -1.26 -0.68 118.94 120.70 1air s TRP 296 Ca 0.30 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 56.01 1air s TRP 296 Cb -0.06 -0.76 -0.05 0.00 -1.15 0.00 0.00 33.47 31.46 1air s TRP 296 CO 0.17 0.08 -0.02 0.95 0.02 0.00 0.00 176.95 178.16 1air s THR 297 N -1.18 0.80 0.46 2.01 -4.23 -1.26 -4.95 115.64 107.29 1air s THR 297 Ca 0.00 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1air s THR 297 Cb -0.10 -2.06 0.09 0.00 1.34 0.00 0.00 72.50 71.77 1air s THR 297 CO 0.02 -0.54 0.63 0.00 -0.54 0.00 0.00 174.62 174.19 1air n ALA 298 N -0.24 0.33 -2.16 3.99 0.00 -1.26 -5.00 120.51 116.17 1air n ALA 298 Ca -0.08 -1.33 -0.09 0.00 0.00 0.00 0.00 53.44 51.95 1air n ALA 298 Cb 0.63 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.24 1air n ALA 298 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1air s ASP 299 N -3.62 0.80 0.46 0.00 2.15 -1.26 -5.04 116.67 110.16 1air s ASP 299 Ca 0.43 -0.98 0.22 0.00 0.43 0.00 0.00 52.55 52.65 1air s ASP 299 Cb -0.03 0.15 1.09 0.00 -0.30 0.00 0.00 42.92 43.83 1air s ASP 299 CO 0.28 -0.52 1.93 0.71 -0.17 0.00 0.00 175.17 177.40 1air h THR 300 N 3.13 0.78 -1.94 1.71 1.35 -2.03 -3.44 112.91 112.47 1air h THR 300 Ca -0.35 -0.91 -0.51 0.00 -0.55 0.00 0.00 66.41 64.09 1air h THR 300 Cb 1.15 1.56 -0.05 0.00 -1.73 0.00 0.00 68.15 69.08 1air h THR 300 CO 0.64 0.22 -0.49 -0.54 -0.25 0.00 0.00 175.52 175.10 1air s LYS 301 N -4.05 2.67 0.30 4.72 1.02 -1.26 -5.06 119.74 118.08 1air s LYS 301 Ca -0.02 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 1air s LYS 301 Cb 0.13 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.89 1air s LYS 301 CO 0.64 0.17 1.20 -2.30 -0.92 0.00 0.00 175.35 174.13 1air n PRO 302 N -1.27 1.79 -4.01 -1.68 -0.02 -1.26 -4.87 135.00 123.69 1air n PRO 302 Ca -0.03 0.63 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1air n PRO 302 Cb 0.60 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 1air n PRO 302 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1air s TYR 303 N -0.92 0.39 -0.05 6.00 1.13 -1.26 -3.49 117.35 119.16 1air s TYR 303 Ca 0.59 -0.75 -0.00 0.00 -1.41 0.00 0.00 57.07 55.50 1air s TYR 303 Cb -0.64 0.16 0.03 0.00 -1.10 0.00 0.00 41.96 40.40 1air s TYR 303 CO 0.59 -0.98 -0.01 0.08 -2.51 0.00 0.00 175.55 172.73 1air s VAL 304 N -4.02 0.32 0.17 -3.49 1.01 -0.62 -5.01 120.40 108.76 1air s VAL 304 Ca 0.23 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.34 1air s VAL 304 Cb -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1air s VAL 304 CO 0.09 0.21 0.06 0.20 0.00 0.00 0.00 175.10 175.66 1air s ASN 305 N 1.43 5.11 -0.39 3.32 0.01 -1.26 -0.71 114.94 122.44 1air s ASN 305 Ca -0.04 -0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1air s ASN 305 Cb -0.13 -1.21 0.19 0.00 0.41 0.00 0.00 41.25 40.51 1air s ASN 305 CO -0.03 0.08 2.25 0.00 -1.51 0.00 0.00 177.10 177.89 1air n ALA 306 N -0.24 5.64 0.38 0.60 0.00 -0.90 -4.52 120.51 121.48 1air n ALA 306 Ca -0.09 -2.26 0.08 0.00 0.00 0.00 0.00 53.44 51.18 1air n ALA 306 Cb 0.55 -1.65 0.37 0.00 0.00 0.00 0.00 19.45 18.72 1air n ALA 306 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1air n ASP 307 N 0.39 0.30 -0.03 0.00 5.68 -1.26 -0.72 116.55 120.91 1air n ASP 307 Ca 0.39 0.59 0.11 0.00 -0.50 0.00 0.00 54.79 55.37 1air n ASP 307 Cb 0.57 -0.65 0.08 0.00 -1.14 0.00 0.00 41.12 39.99 1air n ASP 307 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1air n SER 308 N -1.85 0.81 -3.88 -1.12 7.64 -1.26 -4.75 113.62 109.21 1air n SER 308 Ca 0.02 -0.67 -0.26 0.00 1.01 0.00 0.00 58.87 58.98 1air n SER 308 Cb 0.16 0.58 -0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1air n SER 308 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1air n TRP 309 N -1.39 -1.72 -4.27 1.43 -0.00 0.10 -4.58 117.44 107.01 1air n TRP 309 Ca 0.05 0.71 -0.20 0.00 -0.00 0.00 0.00 57.50 58.06 1air n TRP 309 Cb 0.34 -3.78 -0.11 0.00 -0.00 0.00 0.00 31.31 27.76 1air n TRP 309 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1air s THR 310 N -3.85 1.52 0.26 5.87 -4.23 -1.26 -4.81 115.64 109.14 1air s THR 310 Ca 0.08 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.56 1air s THR 310 Cb -0.03 -1.60 -0.09 0.00 1.34 0.00 0.00 72.50 72.11 1air s THR 310 CO 0.88 -0.33 1.29 -0.44 -0.54 0.00 0.00 174.62 175.48 1air s SER 311 N -2.41 6.88 0.00 3.99 0.01 -1.26 -4.81 113.70 116.10 1air s SER 311 Ca 0.10 2.51 0.09 0.00 1.31 0.00 0.00 55.95 59.96 1air s SER 311 Cb -0.06 -2.63 0.15 0.00 0.21 0.00 0.00 66.02 63.69 1air s SER 311 CO 0.04 -0.50 0.97 0.35 0.41 0.00 0.00 173.24 174.51 1air n THR 312 N 1.79 0.39 -2.22 1.44 -2.24 -0.21 -5.00 114.28 108.24 1air n THR 312 Ca 0.03 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1air n THR 312 Cb 0.42 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1air n THR 312 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1air n GLY 313 N 0.47 2.27 3.69 3.38 0.00 -1.23 -4.74 105.19 109.04 1air n GLY 313 Ca 0.07 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1air n GLY 313 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1air s THR 314 N -2.46 1.30 -0.09 2.61 -4.23 -1.26 -4.70 115.64 106.82 1air s THR 314 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1air s THR 314 Cb 0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1air s THR 314 CO 0.00 0.00 0.22 0.12 -0.54 0.00 0.00 174.62 174.42 1air s PHE 315 N -2.89 -0.27 1.18 3.99 5.36 -1.26 -4.75 117.98 119.33 1air s PHE 315 Ca 0.16 0.67 -0.13 0.00 -0.96 0.00 0.00 56.93 56.67 1air s PHE 315 Cb 0.04 0.05 0.29 0.00 -0.34 0.00 0.00 43.02 43.06 1air s PHE 315 CO 0.08 -0.17 1.02 -2.14 -1.46 0.00 0.00 175.22 172.55 1air s PRO 316 N 0.74 -1.04 0.09 10.12 0.02 -1.26 -4.90 135.00 138.77 1air s PRO 316 Ca -0.05 0.77 -0.31 0.00 0.02 0.00 0.00 61.00 61.43 1air s PRO 316 Cb -0.06 -1.54 -0.09 0.00 0.02 0.00 0.00 34.50 32.82 1air s PRO 316 CO -0.04 -3.79 1.62 0.99 -0.33 0.00 0.00 177.00 175.45 1air s THR 317 N -2.47 2.95 -0.34 0.99 2.01 -1.26 -4.88 115.64 112.65 1air s THR 317 Ca 0.68 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.91 1air s THR 317 Cb -0.25 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1air s THR 317 CO 0.65 0.01 1.99 -0.69 -0.69 0.00 0.00 174.62 175.89 1air s VAL 318 N 2.19 3.28 0.15 3.82 1.01 -1.26 -4.86 120.40 124.73 1air s VAL 318 Ca 0.72 0.27 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 1air s VAL 318 Cb -0.41 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1air s VAL 318 CO 0.32 -0.30 1.62 0.00 0.00 0.00 0.00 175.10 176.74 1air h ALA 319 N 14.37 -0.20 -2.25 5.51 0.00 -2.01 -3.44 119.26 131.24 1air h ALA 319 Ca -0.34 0.07 -0.44 0.00 0.00 0.00 0.00 54.91 54.20 1air h ALA 319 Cb 1.20 0.59 0.16 0.00 0.00 0.00 0.00 17.79 19.74 1air h ALA 319 CO 1.04 -0.71 0.25 1.52 0.00 0.00 0.00 179.25 181.34 1air s TYR 320 N -6.04 1.67 -0.21 0.00 1.13 -1.26 -5.05 117.35 107.58 1air s TYR 320 Ca -0.15 0.68 -0.07 0.00 -1.41 0.00 0.00 57.07 56.13 1air s TYR 320 Cb 0.12 -3.50 -0.03 0.00 -1.10 0.00 0.00 41.96 37.45 1air s TYR 320 CO 0.67 -2.99 0.05 1.21 -2.51 0.00 0.00 175.55 171.98 1air s ASN 321 N -4.01 5.19 0.10 -0.18 3.84 -1.26 -5.07 114.94 113.55 1air s ASN 321 Ca 0.68 -0.12 -0.09 0.00 0.21 0.00 0.00 52.86 53.54 1air s ASN 321 Cb -0.12 -1.91 -0.00 0.00 -0.55 0.00 0.00 41.25 38.67 1air s ASN 321 CO 0.55 0.06 0.21 -0.72 -2.79 0.00 0.00 177.10 174.40 1air s TYR 322 N 1.06 0.19 -0.35 0.43 1.13 -1.26 -4.68 117.35 113.88 1air s TYR 322 Ca 0.03 -0.61 -0.01 0.00 -1.41 0.00 0.00 57.07 55.08 1air s TYR 322 Cb -0.14 -0.06 0.12 0.00 -1.10 0.00 0.00 41.96 40.78 1air s TYR 322 CO 0.03 -0.57 0.18 0.45 -2.51 0.00 0.00 175.55 173.12 1air s SER 323 N -2.88 3.36 0.43 -0.18 0.15 -1.26 -5.12 113.70 108.20 1air s SER 323 Ca 0.07 -1.98 -0.25 0.00 0.70 0.00 0.00 55.95 54.50 1air s SER 323 Cb 0.05 -0.56 -0.08 0.00 -1.71 0.00 0.00 66.02 63.72 1air s SER 323 CO -0.09 -0.35 1.22 -2.16 1.20 0.00 0.00 173.24 173.06 1air s PRO 324 N 1.26 3.88 0.62 5.44 0.04 -1.26 -4.89 135.00 140.09 1air s PRO 324 Ca 0.15 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 1air s PRO 324 Cb -0.21 -2.59 0.06 0.00 0.04 0.00 0.00 34.50 31.80 1air s PRO 324 CO -0.11 -0.49 0.87 0.54 0.04 0.00 0.00 177.00 177.84 1air s VAL 325 N -1.40 2.47 0.59 -0.36 0.11 -1.26 -4.97 120.40 115.57 1air s VAL 325 Ca 0.60 -0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 1air s VAL 325 Cb -0.33 -2.88 -0.05 0.00 -1.53 0.00 0.00 36.38 31.59 1air s VAL 325 CO 0.41 0.00 1.02 -0.94 -3.33 0.00 0.00 175.10 172.26 1air s SER 326 N -4.52 6.25 0.31 3.54 1.04 -1.26 -4.90 113.70 114.16 1air s SER 326 Ca 0.60 1.52 0.01 0.00 0.48 0.00 0.00 55.95 58.56 1air s SER 326 Cb -0.09 -2.49 0.55 0.00 0.10 0.00 0.00 66.02 64.08 1air s SER 326 CO 0.41 -0.85 1.93 0.00 0.98 0.00 0.00 173.24 175.71 1air h ALA 327 N 0.13 1.52 -0.60 5.32 0.00 -1.75 -0.18 119.26 123.70 1air h ALA 327 Ca -0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1air h ALA 327 Cb 1.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1air h ALA 327 CO 0.61 0.37 0.23 1.96 0.00 0.00 0.00 179.25 182.42 1air h GLN 328 N 1.00 0.89 -0.66 0.00 1.08 -1.92 -1.50 115.11 114.00 1air h GLN 328 Ca 0.35 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1air h GLN 328 Cb 0.13 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.38 1air h GLN 328 CO -0.12 0.77 0.31 0.00 -0.95 0.00 0.00 178.83 178.83 1air h VAL 330 N 0.94 1.27 -0.93 0.00 -1.51 -0.84 0.26 116.25 115.45 1air h VAL 330 Ca 0.23 -1.21 0.01 0.00 -1.23 0.00 0.00 66.70 64.49 1air h VAL 330 Cb 0.12 1.10 -0.05 0.00 -2.13 0.00 0.00 31.29 30.34 1air h VAL 330 CO -0.03 0.42 0.61 0.50 -1.23 0.00 0.00 177.57 177.84 1air h LYS 331 N 0.73 1.22 0.00 5.19 1.63 -0.62 0.13 116.57 124.85 1air h LYS 331 Ca 0.12 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1air h LYS 331 Cb 0.64 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1air h LYS 331 CO 0.04 0.81 -0.05 -0.44 -3.45 0.00 0.00 179.45 176.37 1air h ASP 332 N 1.26 0.04 0.07 4.20 3.32 -0.73 -3.43 116.42 121.16 1air h ASP 332 Ca 0.34 -0.88 -0.36 0.00 0.02 0.00 0.00 57.03 56.15 1air h ASP 332 Cb -0.14 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.33 1air h ASP 332 CO -0.07 0.91 -2.30 0.29 -1.72 0.00 0.00 179.24 176.35 1air n LYS 333 N -4.63 0.68 -0.32 3.56 4.76 0.87 -4.69 118.16 118.38 1air n LYS 333 Ca -0.10 0.09 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 1air n LYS 333 Cb 0.45 -1.57 0.33 0.00 -1.84 0.00 0.00 35.03 32.40 1air n LYS 333 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1air h LEU 334 N 0.00 -0.10 -1.91 -0.35 5.85 -0.84 -0.54 115.31 117.42 1air h LEU 334 Ca -0.51 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1air h LEU 334 Cb 2.11 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 43.48 1air h LEU 334 CO 0.01 -0.26 0.36 -0.65 -0.34 0.00 0.00 178.44 177.56 1air h PRO 335 N 0.12 0.00 -0.22 5.25 0.11 -1.84 0.54 132.00 135.96 1air h PRO 335 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1air h PRO 335 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1air h PRO 335 CO -0.76 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.44 1air n GLY 336 N -1.23 1.08 0.00 -0.55 0.00 -0.21 -4.30 105.19 99.97 1air n GLY 336 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1air n GLY 336 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1air n TYR 337 N 1.09 0.00 -3.25 1.61 4.02 0.14 -4.94 117.16 115.83 1air n TYR 337 Ca 0.17 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.68 1air n TYR 337 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.78 1air n TYR 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1air s ALA 338 N -1.94 3.57 0.00 -0.72 0.00 -0.92 -4.58 121.76 117.16 1air s ALA 338 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1air s ALA 338 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1air s ALA 338 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1air n GLY 339 N 1.57 -1.03 3.89 0.00 0.00 -0.08 -4.72 105.19 104.83 1air n GLY 339 Ca -0.09 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 1air n GLY 339 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1air s VAL 340 N -0.10 4.88 -0.91 1.61 -7.23 -1.26 -4.32 120.40 113.08 1air s VAL 340 Ca 0.00 0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1air s VAL 340 Cb 0.00 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1air s VAL 340 CO 0.00 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 1air n GLY 341 N -1.44 1.04 1.02 2.32 0.00 -1.26 -4.87 105.19 101.99 1air n GLY 341 Ca 0.01 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.51 1air n GLY 341 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1air n LYS 342 N -2.67 3.20 -3.85 1.61 4.76 -1.26 -4.95 118.16 115.00 1air n LYS 342 Ca -0.09 -2.64 -0.30 0.00 -2.87 0.00 0.00 58.31 52.41 1air n LYS 342 Cb 0.29 -1.71 -0.01 0.00 -1.84 0.00 0.00 35.03 31.76 1air n LYS 342 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1air n ASN 343 N 0.18 -3.77 -2.63 4.39 3.02 -1.26 -0.39 115.26 114.80 1air n ASN 343 Ca 0.20 -0.73 -0.19 0.00 -0.03 0.00 0.00 54.58 53.82 1air n ASN 343 Cb 0.77 -3.08 0.00 0.00 -0.61 0.00 0.00 39.78 36.86 1air n ASN 343 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1air n LEU 344 N -4.20 -1.88 -4.77 3.41 4.77 -1.26 -4.93 117.00 108.14 1air n LEU 344 Ca 0.04 -0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 1air n LEU 344 Cb 0.51 -2.69 -0.02 0.00 -2.33 0.00 0.00 43.42 38.89 1air n LEU 344 CO 0.71 -0.06 0.94 0.00 -1.33 0.00 0.00 177.39 177.65 1air s ALA 345 N -2.96 3.47 0.08 -1.18 0.00 0.48 -5.04 121.76 116.60 1air s ALA 345 Ca 0.10 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.30 1air s ALA 345 Cb -0.05 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1air s ALA 345 CO 0.13 -0.55 -0.07 0.95 0.00 0.00 0.00 175.76 176.21 1air s THR 346 N -1.15 3.57 -0.29 0.00 -4.23 -1.26 -4.77 115.64 107.50 1air s THR 346 Ca 0.48 -1.10 -0.21 0.00 -1.18 0.00 0.00 61.69 59.68 1air s THR 346 Cb -0.38 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1air s THR 346 CO 0.50 0.18 0.67 -0.22 -0.54 0.00 0.00 174.62 175.21 1air s LEU 347 N -2.05 4.11 0.35 4.79 2.96 -1.26 -5.05 118.68 122.53 1air s LEU 347 Ca 0.21 0.57 0.08 0.00 -0.22 0.00 0.00 54.13 54.78 1air s LEU 347 Cb -0.11 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.63 1air s LEU 347 CO 0.13 -0.48 0.10 -0.89 -1.32 0.00 0.00 176.35 173.89 1air s THR 348 N 2.66 2.75 0.41 3.68 2.01 -1.26 -4.89 115.64 121.01 1air s THR 348 Ca 0.27 -1.81 0.07 0.00 0.31 0.00 0.00 61.69 60.54 1air s THR 348 Cb -0.15 -2.91 0.26 0.00 0.01 0.00 0.00 72.50 69.72 1air s THR 348 CO 0.11 -0.16 2.06 0.28 -0.69 0.00 0.00 174.62 176.22 1air h SER 349 N 1.63 0.45 0.21 3.53 0.02 -1.93 -1.60 113.55 115.87 1air h SER 349 Ca -0.43 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1air h SER 349 Cb 1.25 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1air h SER 349 CO 0.66 0.33 0.00 0.71 -1.14 0.00 0.00 176.83 177.39 1air h THR 350 N 0.53 0.00 -0.34 -2.27 1.35 -2.01 -0.69 112.91 109.48 1air h THR 350 Ca 0.14 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1air h THR 350 Cb -0.05 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1air h THR 350 CO -0.03 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.24 1air n ALA 351 N -1.92 2.43 1.46 6.62 0.00 -0.60 -5.27 120.51 123.24 1air n ALA 351 Ca -0.01 -0.95 0.14 0.00 0.00 0.00 0.00 53.44 52.62 1air n ALA 351 Cb 0.10 -0.87 0.49 0.00 0.00 0.00 0.00 19.45 19.18 1air n ALA 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50