#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3b s SER 40 N 0.00 -0.27 0.79 0.00 1.04 -0.81 -4.99 113.70 109.46 2a3b s SER 40 Ca 0.00 0.24 -0.12 0.00 0.48 0.00 0.00 55.95 56.56 2a3b s SER 40 Cb 0.00 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.59 2a3b s SER 40 CO 0.00 -0.42 1.10 -0.94 0.98 0.00 0.00 173.24 173.96 2a3b s SER 41 N -1.11 4.59 0.00 7.02 1.04 -1.26 -0.03 113.70 123.95 2a3b s SER 41 Ca -0.12 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2a3b s SER 41 Cb -0.04 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2a3b s SER 41 CO 0.04 -1.90 0.00 0.61 0.98 0.00 0.00 173.24 172.98 2a3b n GLY 42 N -2.33 -1.45 3.80 7.32 0.00 -1.26 -4.44 105.19 106.83 2a3b n GLY 42 Ca 0.07 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 2a3b n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a3b s TYR 43 N -2.95 3.02 0.11 1.61 2.02 -0.78 -3.89 117.35 116.48 2a3b s TYR 43 Ca 0.00 1.56 0.03 0.00 -0.37 0.00 0.00 57.07 58.29 2a3b s TYR 43 Cb 0.00 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2a3b s TYR 43 CO 0.00 -0.87 0.12 1.03 -1.57 0.00 0.00 175.55 174.25 2a3b s ARG 44 N -3.47 2.96 -0.27 -0.62 0.52 -0.11 -0.48 118.95 117.48 2a3b s ARG 44 Ca 0.66 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 55.14 2a3b s ARG 44 Cb -0.16 -2.74 0.08 0.00 0.52 0.00 0.00 34.95 32.66 2a3b s ARG 44 CO 0.24 0.54 0.06 0.45 0.02 0.00 0.00 175.30 176.62 2a3b s SER 45 N -2.66 3.73 -0.08 0.23 0.15 -1.26 -1.37 113.70 112.44 2a3b s SER 45 Ca 0.30 -1.37 0.02 0.00 0.70 0.00 0.00 55.95 55.60 2a3b s SER 45 Cb -0.12 -0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 63.33 2a3b s SER 45 CO 0.23 -0.36 -0.14 -0.69 1.20 0.00 0.00 173.24 173.48 2a3b s VAL 46 N 1.64 3.02 -0.01 4.45 1.01 -0.09 0.01 120.40 130.43 2a3b s VAL 46 Ca 0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2a3b s VAL 46 Cb -0.17 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2a3b s VAL 46 CO -0.18 0.56 0.06 0.54 0.00 0.00 0.00 175.10 176.08 2a3b s VAL 47 N -0.26 0.05 -0.01 2.92 0.11 -0.59 -0.60 120.40 122.02 2a3b s VAL 47 Ca 0.01 -0.41 -0.24 0.00 -2.93 0.00 0.00 61.98 58.42 2a3b s VAL 47 Cb -0.13 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2a3b s VAL 47 CO 0.03 -0.22 0.72 -0.31 -3.33 0.00 0.00 175.10 171.98 2a3b s TYR 48 N -0.70 3.67 -0.22 1.54 1.51 -0.72 -0.66 117.35 121.77 2a3b s TYR 48 Ca -0.08 1.35 -0.01 0.00 -1.01 0.00 0.00 57.07 57.32 2a3b s TYR 48 Cb -0.05 -2.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.04 2a3b s TYR 48 CO 0.00 0.21 -0.10 0.12 -1.11 0.00 0.00 175.55 174.67 2a3b s PHE 49 N 0.26 2.96 -0.13 2.71 2.19 -0.02 -0.72 117.98 125.23 2a3b s PHE 49 Ca 0.37 -1.49 -0.14 0.00 0.33 0.00 0.00 56.93 56.01 2a3b s PHE 49 Cb -0.19 -2.02 -0.05 0.00 -1.31 0.00 0.00 43.02 39.45 2a3b s PHE 49 CO 0.20 -0.72 0.30 0.14 1.83 0.00 0.00 175.22 176.98 2a3b s VAL 50 N 1.34 5.28 0.00 3.12 -7.23 -1.26 -1.32 120.40 120.32 2a3b s VAL 50 Ca 0.02 0.58 0.30 0.00 -1.81 0.00 0.00 61.98 61.07 2a3b s VAL 50 Cb -0.15 -3.63 0.31 0.00 0.56 0.00 0.00 36.38 33.47 2a3b s VAL 50 CO -0.07 0.43 1.90 -0.55 -0.31 0.00 0.00 175.10 176.51 2a3b h ASN 51 N 6.25 0.00 -0.01 4.85 7.08 -0.97 -0.03 115.58 132.75 2a3b h ASN 51 Ca -0.44 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 2a3b h ASN 51 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2a3b h ASN 51 CO 0.72 0.00 0.00 -2.67 -2.08 0.00 0.00 177.43 173.40 2a3b n TRP 52 N -2.59 0.00 0.30 4.14 2.14 -1.26 -3.68 117.44 116.49 2a3b n TRP 52 Ca -0.01 -0.00 0.19 0.00 2.07 0.00 0.00 57.50 59.75 2a3b n TRP 52 Cb 0.13 0.00 0.82 0.00 -0.81 0.00 0.00 31.31 31.45 2a3b n TRP 52 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2a3b h ALA 53 N 4.14 1.00 0.00 -1.67 0.00 -1.26 -2.61 119.26 118.86 2a3b h ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a3b h ALA 53 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2a3b h ALA 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 2a3b n ILE 54 N -3.06 0.65 0.00 0.00 -5.35 -1.06 -0.96 119.36 109.58 2a3b n ILE 54 Ca -0.00 0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 2a3b n ILE 54 Cb 0.24 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 2a3b n ILE 54 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2a3b n TYR 55 N -1.62 0.00 -0.31 4.28 4.01 -0.99 -4.21 117.16 118.31 2a3b n TYR 55 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 2a3b n TYR 55 Cb 0.24 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.47 2a3b n TYR 55 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2a3b h GLY 56 N 0.00 1.40 2.00 2.72 0.00 -1.82 -1.04 103.07 106.33 2a3b h GLY 56 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2a3b h GLY 56 CO 0.00 0.11 0.00 0.54 0.00 0.00 0.00 176.54 177.19 2a3b n ARG 57 N -4.73 0.17 -3.99 4.80 1.74 -1.25 -4.90 116.66 108.51 2a3b n ARG 57 Ca 0.16 0.41 -0.29 0.00 -0.77 0.00 0.00 57.85 57.35 2a3b n ARG 57 Cb 0.32 -1.83 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 2a3b n ARG 57 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2a3b n ASN 58 N -2.15 -2.21 -4.15 0.55 5.15 -0.40 -4.95 115.26 107.10 2a3b n ASN 58 Ca 0.02 -0.94 -0.31 0.00 -0.60 0.00 0.00 54.58 52.76 2a3b n ASN 58 Cb 0.22 -3.27 -0.17 0.00 -0.53 0.00 0.00 39.78 36.03 2a3b n ASN 58 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2a3b s HIS 59 N -3.60 2.41 0.31 1.20 2.46 -0.13 -4.98 115.29 112.96 2a3b s HIS 59 Ca 0.35 -1.12 0.07 0.00 0.47 0.00 0.00 55.06 54.84 2a3b s HIS 59 Cb -0.18 -1.65 -0.06 0.00 -0.13 0.00 0.00 32.58 30.55 2a3b s HIS 59 CO 0.88 -0.50 -0.05 -0.80 -2.47 0.00 0.00 174.74 171.79 2a3b s ASN 60 N 0.70 3.07 0.41 9.88 -0.87 -1.26 -2.55 114.94 124.32 2a3b s ASN 60 Ca -0.11 -1.22 0.13 0.00 -1.57 0.00 0.00 52.86 50.09 2a3b s ASN 60 Cb -0.16 -0.23 0.98 0.00 -0.02 0.00 0.00 41.25 41.82 2a3b s ASN 60 CO 0.02 -0.34 1.94 -0.65 -2.57 0.00 0.00 177.10 175.50 2a3b h PRO 61 N 2.16 0.47 -0.01 -0.60 0.11 -1.96 0.33 132.00 132.50 2a3b h PRO 61 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2a3b h PRO 61 Cb 1.24 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2a3b h PRO 61 CO 0.69 0.31 0.11 1.96 -0.21 0.00 0.00 178.00 180.87 2a3b h GLN 62 N 0.49 0.00 0.00 1.05 7.50 -1.96 0.72 115.11 122.91 2a3b h GLN 62 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 2a3b h GLN 62 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.20 2a3b h GLN 62 CO -0.11 0.00 -0.16 -0.25 -1.50 0.00 0.00 178.83 176.81 2a3b n ASP 63 N -3.12 0.43 -4.77 1.46 8.00 0.10 -4.91 116.55 113.74 2a3b n ASP 63 Ca -0.02 0.36 -0.40 0.00 0.71 0.00 0.00 54.79 55.44 2a3b n ASP 63 Cb 0.18 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2a3b n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2a3b s LEU 64 N -3.66 4.19 -1.45 0.64 1.43 0.24 -4.88 118.68 115.20 2a3b s LEU 64 Ca 0.11 2.83 -0.10 0.00 -1.03 0.00 0.00 54.13 55.95 2a3b s LEU 64 Cb 0.16 -3.87 0.04 0.00 0.03 0.00 0.00 46.19 42.55 2a3b s LEU 64 CO 0.60 -0.98 2.42 -0.81 0.23 0.00 0.00 176.35 177.80 2a3b n PRO 65 N 0.07 3.59 -0.01 1.29 -0.04 -1.26 -4.79 135.00 133.85 2a3b n PRO 65 Ca 0.04 -2.82 0.21 0.00 -0.04 0.00 0.00 63.50 60.89 2a3b n PRO 65 Cb 0.42 -2.94 0.71 0.00 -0.04 0.00 0.00 33.50 31.65 2a3b n PRO 65 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2a3b h VAL 66 N 3.38 0.65 0.00 0.52 -1.51 -1.93 0.48 116.25 117.83 2a3b h VAL 66 Ca 0.65 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.12 2a3b h VAL 66 Cb 0.46 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2a3b h VAL 66 CO 1.73 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 177.45 2a3b n GLU 67 N -4.25 0.13 -0.31 5.19 -0.58 -1.26 -3.02 120.64 116.55 2a3b n GLU 67 Ca 0.10 0.26 0.07 0.00 -0.42 0.00 0.00 57.16 57.18 2a3b n GLU 67 Cb 0.65 -1.71 0.21 0.00 -0.57 0.00 0.00 31.44 30.02 2a3b n GLU 67 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2a3b n ARG 68 N -1.95 2.94 -4.31 3.49 1.74 0.15 -4.92 116.66 113.80 2a3b n ARG 68 Ca 0.04 -2.42 -0.23 0.00 -0.77 0.00 0.00 57.85 54.48 2a3b n ARG 68 Cb 0.28 -1.54 -0.12 0.00 -1.02 0.00 0.00 32.46 30.07 2a3b n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2a3b s LEU 69 N -1.80 2.36 -0.07 0.55 1.43 -1.17 -4.83 118.68 115.15 2a3b s LEU 69 Ca 0.32 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.74 2a3b s LEU 69 Cb 0.22 -0.86 -0.12 0.00 0.03 0.00 0.00 46.19 45.46 2a3b s LEU 69 CO 0.13 0.01 0.08 0.35 0.23 0.00 0.00 176.35 177.15 2a3b n THR 70 N 0.72 0.49 -3.81 5.49 -2.24 0.10 -4.61 114.28 110.43 2a3b n THR 70 Ca -0.17 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 2a3b n THR 70 Cb 0.55 -0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 68.13 2a3b n THR 70 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2a3b s HIS 71 N -2.33 -0.12 -0.11 4.78 3.76 -0.77 -0.63 115.29 119.87 2a3b s HIS 71 Ca -0.04 0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.20 2a3b s HIS 71 Cb 0.04 -0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 2a3b s HIS 71 CO 0.39 -0.09 -0.13 0.08 -0.85 0.00 0.00 174.74 174.14 2a3b s VAL 72 N 0.46 3.11 -0.34 -0.90 1.01 -0.02 -1.54 120.40 122.18 2a3b s VAL 72 Ca -0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 2a3b s VAL 72 Cb -0.05 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 34.07 2a3b s VAL 72 CO -0.02 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 175.00 2a3b s LEU 73 N 0.04 4.39 -0.44 3.92 1.43 0.16 -0.82 118.68 127.35 2a3b s LEU 73 Ca -0.04 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 51.81 2a3b s LEU 73 Cb -0.14 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2a3b s LEU 73 CO 0.04 -0.32 0.87 -0.47 0.23 0.00 0.00 176.35 176.70 2a3b s TYR 74 N 1.48 2.97 -0.06 0.29 5.04 0.01 -0.84 117.35 126.23 2a3b s TYR 74 Ca 0.00 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 2a3b s TYR 74 Cb -0.19 -3.82 -0.03 0.00 0.35 0.00 0.00 41.96 38.27 2a3b s TYR 74 CO 0.04 -1.02 -0.04 0.00 -1.34 0.00 0.00 175.55 173.19 2a3b s ALA 75 N 3.55 3.09 0.02 3.97 0.00 -0.44 -0.76 121.76 131.20 2a3b s ALA 75 Ca 0.35 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2a3b s ALA 75 Cb -0.11 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 2a3b s ALA 75 CO 0.24 0.59 -0.05 -0.06 0.00 0.00 0.00 175.76 176.48 2a3b s PHE 76 N -0.86 0.40 0.28 0.00 0.08 -1.26 -0.20 117.98 116.41 2a3b s PHE 76 Ca 0.13 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.71 2a3b s PHE 76 Cb -0.11 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.04 2a3b s PHE 76 CO 0.03 -0.13 0.52 0.00 -0.10 0.00 0.00 175.22 175.54 2a3b s ALA 77 N -1.23 3.69 0.51 5.36 0.00 -0.27 -4.23 121.76 125.58 2a3b s ALA 77 Ca -0.11 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.20 2a3b s ALA 77 Cb -0.09 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.87 2a3b s ALA 77 CO -0.00 0.22 0.38 1.21 0.00 0.00 0.00 175.76 177.57 2a3b s ASN 78 N -3.38 4.68 -0.03 0.00 3.84 0.46 -1.61 114.94 118.90 2a3b s ASN 78 Ca 0.42 -1.14 0.02 0.00 0.21 0.00 0.00 52.86 52.36 2a3b s ASN 78 Cb -0.10 0.16 0.01 0.00 -0.55 0.00 0.00 41.25 40.77 2a3b s ASN 78 CO 0.31 -0.98 -0.06 -0.69 -2.79 0.00 0.00 177.10 172.90 2a3b s VAL 79 N -2.70 0.55 -0.34 -5.21 1.01 -1.26 -1.17 120.40 111.27 2a3b s VAL 79 Ca 0.37 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2a3b s VAL 79 Cb -0.02 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2a3b s VAL 79 CO 0.23 0.20 1.08 -0.13 0.00 0.00 0.00 175.10 176.47 2a3b s ARG 80 N 0.47 4.01 0.54 2.72 1.81 0.65 -4.81 118.95 124.34 2a3b s ARG 80 Ca -0.06 0.98 0.22 0.00 -1.72 0.00 0.00 55.73 55.14 2a3b s ARG 80 Cb -0.10 -3.76 1.47 0.00 -0.45 0.00 0.00 34.95 32.10 2a3b s ARG 80 CO 0.00 -0.97 2.17 -1.00 -0.68 0.00 0.00 175.30 174.82 2a3b h PRO 81 N 8.27 0.00 0.00 3.54 0.13 -1.90 0.59 132.00 142.64 2a3b h PRO 81 Ca -0.21 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.71 2a3b h PRO 81 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2a3b h PRO 81 CO 1.04 0.03 -1.18 0.93 -0.23 0.00 0.00 178.00 178.59 2a3b h GLU 82 N 0.00 0.00 0.00 0.86 4.39 -1.91 -2.97 114.58 114.94 2a3b h GLU 82 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2a3b h GLU 82 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2a3b h GLU 82 CO 0.00 0.69 -0.76 0.25 -1.16 0.00 0.00 179.01 178.03 2a3b n THR 83 N -3.18 0.00 -0.87 1.13 -2.24 -1.10 -4.96 114.28 103.05 2a3b n THR 83 Ca -0.06 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2a3b n THR 83 Cb 0.93 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 2a3b n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a3b n GLY 84 N 1.92 0.79 3.73 3.38 0.00 0.21 -4.42 105.19 110.79 2a3b n GLY 84 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2a3b n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a3b s GLU 85 N -0.13 4.28 -0.15 1.61 2.12 -1.24 -2.64 118.70 122.55 2a3b s GLU 85 Ca 0.00 2.23 -0.12 0.00 0.36 0.00 0.00 54.97 57.44 2a3b s GLU 85 Cb 0.00 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2a3b s GLU 85 CO 0.00 -0.47 0.24 0.08 -0.54 0.00 0.00 175.26 174.57 2a3b s VAL 86 N 0.71 5.34 0.03 3.70 1.01 -1.26 -0.25 120.40 129.68 2a3b s VAL 86 Ca 0.64 0.43 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 2a3b s VAL 86 Cb -0.40 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2a3b s VAL 86 CO 0.35 0.45 0.19 -0.72 0.00 0.00 0.00 175.10 175.37 2a3b s TYR 87 N 0.09 0.04 0.40 5.22 1.13 -0.32 -4.62 117.35 119.29 2a3b s TYR 87 Ca 0.15 -0.24 -0.24 0.00 -1.41 0.00 0.00 57.07 55.33 2a3b s TYR 87 Cb -0.13 -0.03 -0.09 0.00 -1.10 0.00 0.00 41.96 40.62 2a3b s TYR 87 CO 0.03 -0.41 1.06 -1.64 -2.51 0.00 0.00 175.55 172.08 2a3b s MET 88 N -2.40 4.16 0.00 -3.49 -1.94 -1.26 -0.40 119.30 113.97 2a3b s MET 88 Ca -0.06 1.55 0.18 0.00 -1.71 0.00 0.00 55.69 55.65 2a3b s MET 88 Cb -0.02 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 2a3b s MET 88 CO -0.03 -0.15 0.92 0.25 -0.01 0.00 0.00 175.02 175.99 2a3b n THR 89 N -0.03 0.00 -3.28 2.05 -2.24 -1.26 -4.80 114.28 104.72 2a3b n THR 89 Ca 0.05 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2a3b n THR 89 Cb 0.49 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.86 2a3b n THR 89 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a3b s ASP 90 N -2.14 0.44 0.33 3.42 -1.08 -1.26 -5.02 116.67 111.36 2a3b s ASP 90 Ca 0.14 -1.61 0.03 0.00 -0.52 0.00 0.00 52.55 50.60 2a3b s ASP 90 Cb 0.15 0.85 0.64 0.00 -1.46 0.00 0.00 42.92 43.10 2a3b s ASP 90 CO 0.48 -0.21 1.94 0.77 0.52 0.00 0.00 175.17 178.67 2a3b h SER 91 N 6.69 0.78 0.14 -0.34 4.64 -1.98 0.14 113.55 123.61 2a3b h SER 91 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 2a3b h SER 91 Cb 1.07 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2a3b h SER 91 CO 0.18 0.51 -0.07 -0.25 -0.87 0.00 0.00 176.83 176.33 2a3b h TRP 92 N 0.89 -0.17 -0.42 4.77 7.01 -1.95 0.88 115.95 126.95 2a3b h TRP 92 Ca 0.34 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.27 2a3b h TRP 92 Cb 0.21 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 2a3b h TRP 92 CO -0.00 -0.00 -0.00 0.00 -2.79 0.00 0.00 178.44 175.64 2a3b h ALA 93 N 0.55 0.57 -0.04 2.65 0.00 -1.84 0.14 119.26 121.29 2a3b h ALA 93 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2a3b h ALA 93 Cb 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a3b h ALA 93 CO 0.03 0.36 -0.02 -0.44 0.00 0.00 0.00 179.25 179.18 2a3b h ASP 94 N 0.59 0.08 0.00 0.00 3.32 -0.64 0.06 116.42 119.83 2a3b h ASP 94 Ca 0.12 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2a3b h ASP 94 Cb 0.49 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2a3b h ASP 94 CO 0.02 0.49 0.00 2.30 -1.72 0.00 0.00 179.24 180.33 2a3b n ILE 95 N -4.82 0.00 -0.06 0.35 -5.35 0.24 -1.57 119.36 108.14 2a3b n ILE 95 Ca -0.08 -0.16 -0.07 0.00 -0.27 0.00 0.00 62.75 62.17 2a3b n ILE 95 Cb 0.24 1.51 -0.10 0.00 -1.74 0.00 0.00 39.64 39.55 2a3b n ILE 95 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a3b n GLU 96 N -0.08 1.77 -1.67 6.28 1.02 -0.79 -0.73 120.64 126.44 2a3b n GLU 96 Ca 0.00 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.69 2a3b n GLU 96 Cb 0.13 -1.33 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2a3b n GLU 96 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2a3b n LYS 97 N -2.52 2.08 -3.69 3.49 4.81 0.45 -4.44 118.16 118.33 2a3b n LYS 97 Ca -0.22 0.74 -0.37 0.00 -0.87 0.00 0.00 58.31 57.59 2a3b n LYS 97 Cb 0.91 -2.43 -0.11 0.00 0.02 0.00 0.00 35.03 33.41 2a3b n LYS 97 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2a3b s HIS 98 N 0.18 3.19 0.43 5.64 3.76 -1.26 -0.45 115.29 126.79 2a3b s HIS 98 Ca 0.71 -0.05 0.07 0.00 -0.15 0.00 0.00 55.06 55.64 2a3b s HIS 98 Cb -0.65 -2.30 0.01 0.00 1.11 0.00 0.00 32.58 30.75 2a3b s HIS 98 CO 0.47 -0.17 0.59 0.71 -0.85 0.00 0.00 174.74 175.48 2a3b s TYR 99 N 1.52 2.84 0.12 1.40 1.51 -1.26 -4.96 117.35 118.51 2a3b s TYR 99 Ca 0.07 -0.34 -0.33 0.00 -1.01 0.00 0.00 57.07 55.45 2a3b s TYR 99 Cb -0.15 -2.40 -0.13 0.00 -0.11 0.00 0.00 41.96 39.17 2a3b s TYR 99 CO 0.07 -0.45 1.70 -2.30 -1.11 0.00 0.00 175.55 173.46 2a3b n PRO 100 N -1.89 2.36 0.00 -1.71 -0.02 -1.26 -1.11 135.00 131.37 2a3b n PRO 100 Ca 0.07 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2a3b n PRO 100 Cb 0.59 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2a3b n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a3b n GLY 101 N 3.82 0.66 3.62 -1.23 0.00 -1.26 -5.06 105.19 105.73 2a3b n GLY 101 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2a3b n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a3b s ASP 102 N -1.99 6.35 0.44 1.61 1.01 -0.26 -5.05 116.67 118.78 2a3b s ASP 102 Ca 0.00 0.42 -0.24 0.00 0.71 0.00 0.00 52.55 53.44 2a3b s ASP 102 Cb 0.00 -2.24 -0.08 0.00 1.01 0.00 0.00 42.92 41.61 2a3b s ASP 102 CO 0.00 -0.21 1.20 -0.55 0.21 0.00 0.00 175.17 175.82 2a3b s SER 103 N 1.52 6.26 -0.03 0.27 0.15 -1.26 -4.83 113.70 115.77 2a3b s SER 103 Ca 0.18 2.40 0.22 0.00 0.70 0.00 0.00 55.95 59.44 2a3b s SER 103 Cb -0.16 -2.61 -0.31 0.00 -1.71 0.00 0.00 66.02 61.23 2a3b s SER 103 CO 0.09 -0.86 0.48 0.79 1.20 0.00 0.00 173.24 174.94 2a3b n TRP 104 N -0.23 0.07 0.52 3.44 7.02 -1.26 -4.50 117.44 122.50 2a3b n TRP 104 Ca 0.06 0.02 0.06 0.00 -1.02 0.00 0.00 57.50 56.62 2a3b n TRP 104 Cb 0.47 -0.59 0.03 0.00 -2.42 0.00 0.00 31.31 28.81 2a3b n TRP 104 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2a3b n SER 105 N -2.34 1.81 -4.69 -0.99 3.41 -1.26 -5.01 113.62 104.55 2a3b n SER 105 Ca -0.07 -1.40 -0.44 0.00 -0.26 0.00 0.00 58.87 56.70 2a3b n SER 105 Cb 0.63 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 2a3b n SER 105 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2a3b n ASP 106 N 0.40 3.11 -4.92 4.04 9.92 -1.26 -4.97 116.55 122.86 2a3b n ASP 106 Ca 0.07 1.13 -0.26 0.00 -0.53 0.00 0.00 54.79 55.20 2a3b n ASP 106 Cb 0.29 -1.47 0.02 0.00 -0.64 0.00 0.00 41.12 39.32 2a3b n ASP 106 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2a3b s THR 107 N 0.16 3.93 0.00 -3.53 -4.23 -1.26 -4.97 115.64 105.74 2a3b s THR 107 Ca 0.69 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2a3b s THR 107 Cb -0.61 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 69.70 2a3b s THR 107 CO 0.47 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2a3b n GLY 108 N -2.44 0.85 3.34 3.99 0.00 -1.26 -4.85 105.19 104.83 2a3b n GLY 108 Ca 0.03 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.44 2a3b n GLY 108 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a3b s ASN 109 N 0.00 6.62 -0.00 1.61 2.47 -1.26 -5.01 114.94 119.37 2a3b s ASN 109 Ca 0.00 -2.40 0.01 0.00 0.42 0.00 0.00 52.86 50.89 2a3b s ASN 109 Cb 0.00 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.53 2a3b s ASN 109 CO 0.00 -0.70 -0.00 0.20 -3.72 0.00 0.00 177.10 172.88 2a3b s ASN 110 N 2.64 5.10 -0.16 -4.21 0.01 -1.26 -0.86 114.94 116.19 2a3b s ASN 110 Ca 0.16 -0.01 -0.08 0.00 -0.71 0.00 0.00 52.86 52.22 2a3b s ASN 110 Cb -0.14 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 2a3b s ASN 110 CO -0.06 0.28 0.11 0.54 -1.51 0.00 0.00 177.10 176.46 2a3b s VAL 111 N -1.08 5.23 0.00 1.60 0.11 -1.26 -5.00 120.40 120.00 2a3b s VAL 111 Ca 0.19 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 2a3b s VAL 111 Cb -0.11 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 2a3b s VAL 111 CO 0.10 0.51 0.00 -1.22 -3.33 0.00 0.00 175.10 171.16 2a3b n TYR 112 N 2.95 0.00 -3.76 1.54 4.01 0.10 -4.60 117.16 117.40 2a3b n TYR 112 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2a3b n TYR 112 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 2a3b n TYR 112 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2a3b n GLY 113 N 3.31 0.87 0.28 2.72 0.00 0.41 -1.76 105.19 111.01 2a3b n GLY 113 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2a3b n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3b h ILE 115 N 0.56 0.95 -0.61 0.00 1.08 -1.28 -0.15 117.51 118.05 2a3b h ILE 115 Ca 0.13 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2a3b h ILE 115 Cb 0.26 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 2a3b h ILE 115 CO 0.00 0.05 0.39 0.50 -0.69 0.00 0.00 178.15 178.40 2a3b h LYS 116 N 0.26 0.82 -0.88 2.37 3.64 -1.32 -1.92 116.57 119.53 2a3b h LYS 116 Ca 0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2a3b h LYS 116 Cb 0.07 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2a3b h LYS 116 CO -0.11 0.56 0.46 1.96 -2.27 0.00 0.00 179.45 180.05 2a3b h GLN 117 N 0.83 1.25 -0.66 1.90 1.08 -1.43 -1.35 115.11 116.73 2a3b h GLN 117 Ca 0.22 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2a3b h GLN 117 Cb -0.07 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.10 2a3b h GLN 117 CO -0.05 0.93 0.09 -0.07 -0.95 0.00 0.00 178.83 178.79 2a3b h LEU 118 N 1.25 1.05 -0.61 1.46 3.38 -0.71 -1.81 115.31 119.33 2a3b h LEU 118 Ca 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2a3b h LEU 118 Cb 0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2a3b h LEU 118 CO -0.05 1.05 0.32 0.22 0.09 0.00 0.00 178.44 180.08 2a3b h TYR 119 N 1.01 0.85 -0.38 1.13 3.20 -1.04 -1.31 116.97 120.44 2a3b h TYR 119 Ca 0.20 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2a3b h TYR 119 Cb 0.46 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2a3b h TYR 119 CO 0.03 0.63 0.09 -0.07 -1.64 0.00 0.00 178.16 177.20 2a3b h LEU 120 N 0.83 0.52 -1.19 2.82 3.38 -0.94 -1.61 115.31 119.12 2a3b h LEU 120 Ca 0.21 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2a3b h LEU 120 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2a3b h LEU 120 CO -0.03 0.53 -0.36 -0.07 0.09 0.00 0.00 178.44 178.60 2a3b h LEU 121 N 0.55 0.09 -1.92 1.67 3.38 -0.70 -2.09 115.31 116.29 2a3b h LEU 121 Ca 0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2a3b h LEU 121 Cb 0.22 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2a3b h LEU 121 CO -0.00 0.44 -0.10 0.11 0.09 0.00 0.00 178.44 178.98 2a3b h LYS 122 N 0.08 0.00 0.00 1.13 1.57 -0.24 -0.87 116.57 118.24 2a3b h LYS 122 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2a3b h LYS 122 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2a3b h LYS 122 CO 0.05 0.10 -0.54 0.87 -0.57 0.00 0.00 179.45 179.36 2a3b h LYS 123 N 0.00 0.00 0.10 3.15 1.57 -1.27 -3.29 116.57 116.83 2a3b h LYS 123 Ca -0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2a3b h LYS 123 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 2a3b h LYS 123 CO 0.01 0.22 -1.16 1.96 -0.57 0.00 0.00 179.45 179.91 2a3b h GLN 124 N 0.00 0.33 -3.56 3.15 1.08 -1.03 -3.41 115.11 111.67 2a3b h GLN 124 Ca -0.02 -0.48 -0.58 0.00 -1.45 0.00 0.00 58.65 56.12 2a3b h GLN 124 Cb 1.22 0.17 -0.40 0.00 -0.05 0.00 0.00 27.48 28.41 2a3b h GLN 124 CO 0.03 1.19 -0.76 1.21 -0.95 0.00 0.00 178.83 179.55 2a3b s ASN 125 N -7.15 3.92 0.15 1.46 2.47 -0.64 -4.98 114.94 110.18 2a3b s ASN 125 Ca -0.05 -1.55 0.15 0.00 0.42 0.00 0.00 52.86 51.84 2a3b s ASN 125 Cb 0.07 -0.84 0.72 0.00 -1.45 0.00 0.00 41.25 39.75 2a3b s ASN 125 CO 0.88 -0.40 1.47 0.54 -3.72 0.00 0.00 177.10 175.87 2a3b n ARG 126 N 4.87 0.09 -0.14 0.43 5.12 -1.24 -1.14 116.66 124.65 2a3b n ARG 126 Ca -0.03 0.46 0.11 0.00 -1.93 0.00 0.00 57.85 56.46 2a3b n ARG 126 Cb 0.42 -1.72 0.28 0.00 -1.16 0.00 0.00 32.46 30.28 2a3b n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2a3b n ASN 127 N -1.90 2.61 -4.57 0.55 5.15 -1.26 -0.73 115.26 115.11 2a3b n ASN 127 Ca 0.01 -1.87 -0.41 0.00 -0.60 0.00 0.00 54.58 51.70 2a3b n ASN 127 Cb 0.11 -0.18 -0.07 0.00 -0.53 0.00 0.00 39.78 39.11 2a3b n ASN 127 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2a3b s LEU 128 N -1.51 4.29 -0.11 1.20 2.96 -0.30 -4.61 118.68 120.60 2a3b s LEU 128 Ca 0.35 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.29 2a3b s LEU 128 Cb 0.20 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2a3b s LEU 128 CO 0.29 -0.53 0.10 -0.54 -1.32 0.00 0.00 176.35 174.35 2a3b s LYS 129 N 2.54 3.32 -0.20 1.98 3.01 0.20 -4.72 119.74 125.87 2a3b s LYS 129 Ca 0.22 -0.21 -0.00 0.00 -1.01 0.00 0.00 55.97 54.96 2a3b s LYS 129 Cb -0.15 -3.08 0.02 0.00 -1.01 0.00 0.00 37.83 33.61 2a3b s LYS 129 CO 0.14 0.75 -0.14 0.08 0.51 0.00 0.00 175.35 176.69 2a3b s VAL 130 N -0.97 2.47 0.05 3.17 1.01 -1.26 -0.84 120.40 124.03 2a3b s VAL 130 Ca 0.14 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2a3b s VAL 130 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2a3b s VAL 130 CO 0.03 0.46 -0.01 -0.76 0.00 0.00 0.00 175.10 174.82 2a3b s LEU 131 N 1.33 3.43 -0.15 3.92 1.02 -0.00 -0.14 118.68 128.09 2a3b s LEU 131 Ca 0.04 -0.13 -0.22 0.00 0.02 0.00 0.00 54.13 53.84 2a3b s LEU 131 Cb -0.14 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 2a3b s LEU 131 CO -0.09 0.22 0.67 -0.22 0.02 0.00 0.00 176.35 176.94 2a3b s LEU 132 N -1.99 4.21 -0.24 1.79 2.96 -0.77 -0.81 118.68 123.83 2a3b s LEU 132 Ca 0.23 0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 54.98 2a3b s LEU 132 Cb -0.12 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 2a3b s LEU 132 CO 0.15 -0.23 0.35 -0.44 -1.32 0.00 0.00 176.35 174.87 2a3b s SER 133 N 1.03 6.30 -0.18 3.68 0.01 0.06 -0.58 113.70 124.02 2a3b s SER 133 Ca 0.33 0.34 -0.05 0.00 1.31 0.00 0.00 55.95 57.88 2a3b s SER 133 Cb -0.16 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 2a3b s SER 133 CO 0.13 -0.11 -0.00 -0.63 0.41 0.00 0.00 173.24 173.03 2a3b s ILE 134 N 1.68 4.04 0.00 1.44 1.01 0.11 -1.12 121.20 128.35 2a3b s ILE 134 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2a3b s ILE 134 Cb -0.15 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.51 2a3b s ILE 134 CO 0.09 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2a3b n GLY 135 N 3.93 0.44 0.00 6.18 0.00 -0.64 -0.53 105.19 114.57 2a3b n GLY 135 Ca -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2a3b n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 136 N 0.00 1.09 0.13 -0.02 0.00 -0.16 -4.22 105.19 102.01 2a3b n GLY 136 Ca 0.00 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 2a3b n GLY 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2a3b h TRP 137 N 0.00 -0.04 -0.50 1.61 2.91 -1.93 -1.29 115.95 116.71 2a3b h TRP 137 Ca 0.00 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.94 2a3b h TRP 137 Cb 0.00 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.69 2a3b h TRP 137 CO 0.00 -0.06 -0.07 1.15 -1.03 0.00 0.00 178.44 178.43 2a3b h THR 138 N 0.07 1.27 -0.00 2.65 2.02 -1.97 -3.28 112.91 113.66 2a3b h THR 138 Ca 0.14 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2a3b h THR 138 Cb 0.19 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2a3b h THR 138 CO -0.24 0.42 -0.36 -1.22 0.37 0.00 0.00 175.52 174.49 2a3b n TYR 139 N -4.25 0.00 0.08 3.16 4.01 -1.13 -4.42 117.16 114.62 2a3b n TYR 139 Ca 0.01 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.93 2a3b n TYR 139 Cb 0.37 -0.18 0.72 0.00 -0.31 0.00 0.00 39.34 39.94 2a3b n TYR 139 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2a3b h SER 140 N 0.69 0.00 0.12 7.72 0.02 -1.29 -1.44 113.55 119.37 2a3b h SER 140 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a3b h SER 140 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2a3b h SER 140 CO 0.00 0.00 0.00 -0.65 -1.14 0.00 0.00 176.83 175.04 2a3b h PRO 141 N 0.00 0.00 0.00 3.45 0.11 -1.83 -1.95 132.00 131.78 2a3b h PRO 141 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2a3b h PRO 141 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2a3b h PRO 141 CO -0.00 0.00 -0.18 0.09 -0.21 0.00 0.00 178.00 177.70 2a3b n ASN 142 N -2.29 0.52 0.02 -2.05 3.02 -0.54 -4.26 115.26 109.67 2a3b n ASN 142 Ca -0.01 0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 54.79 2a3b n ASN 142 Cb 0.07 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.74 2a3b n ASN 142 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2a3b h PHE 143 N 0.00 -0.04 -0.19 3.10 0.04 -1.53 -2.73 116.94 115.59 2a3b h PHE 143 Ca 0.00 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.82 2a3b h PHE 143 Cb 0.64 0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.74 2a3b h PHE 143 CO 0.00 0.29 -0.30 0.00 -0.60 0.00 0.00 178.31 177.70 2a3b h ALA 144 N 0.59 -0.29 -0.44 2.45 0.00 -1.77 0.81 119.26 120.61 2a3b h ALA 144 Ca -0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2a3b h ALA 144 Cb 0.34 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2a3b h ALA 144 CO 0.01 -0.76 -0.11 -1.00 0.00 0.00 0.00 179.25 177.39 2a3b h PRO 145 N -0.34 0.86 -0.72 0.00 0.13 -1.81 -2.32 132.00 127.79 2a3b h PRO 145 Ca 0.12 -0.33 0.04 0.00 -0.87 0.00 0.00 66.00 64.95 2a3b h PRO 145 Cb 0.52 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.56 2a3b h PRO 145 CO -0.39 0.97 0.45 0.00 -0.23 0.00 0.00 178.00 178.80 2a3b h ALA 146 N 0.86 0.96 -0.01 -0.56 0.00 -1.09 -2.47 119.26 116.94 2a3b h ALA 146 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2a3b h ALA 146 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2a3b h ALA 146 CO 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 2a3b n ALA 147 N -2.33 2.64 0.31 0.00 0.00 0.23 -3.58 120.51 117.78 2a3b n ALA 147 Ca 0.08 -0.35 0.16 0.00 0.00 0.00 0.00 53.44 53.33 2a3b n ALA 147 Cb 0.11 -1.29 0.61 0.00 0.00 0.00 0.00 19.45 18.89 2a3b n ALA 147 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2a3b h SER 148 N 1.44 0.00 -3.82 0.00 4.64 -0.92 -3.44 113.55 111.45 2a3b h SER 148 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2a3b h SER 148 Cb 0.34 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.24 2a3b h SER 148 CO 0.00 0.00 -0.77 0.42 -0.87 0.00 0.00 176.83 175.61 2a3b s THR 149 N -3.56 1.56 0.22 2.95 -4.23 -1.26 -5.04 115.64 106.29 2a3b s THR 149 Ca 0.02 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 2a3b s THR 149 Cb 0.09 -1.68 0.18 0.00 1.34 0.00 0.00 72.50 72.43 2a3b s THR 149 CO 0.52 -0.36 1.88 -0.78 -0.54 0.00 0.00 174.62 175.33 2a3b h ASP 150 N 3.40 0.87 -0.52 3.99 3.58 -1.93 -0.54 116.42 125.27 2a3b h ASP 150 Ca -0.41 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 2a3b h ASP 150 Cb 1.20 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2a3b h ASP 150 CO 0.51 0.61 0.26 0.00 -2.88 0.00 0.00 179.24 177.74 2a3b h ALA 151 N 1.32 0.67 -0.45 -0.78 0.00 -1.96 -0.91 119.26 117.15 2a3b h ALA 151 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2a3b h ALA 151 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2a3b h ALA 151 CO -0.09 0.22 0.17 0.78 0.00 0.00 0.00 179.25 180.32 2a3b h GLY 152 N 0.70 0.73 1.03 0.00 0.00 -1.64 -0.71 103.07 103.18 2a3b h GLY 152 Ca 0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 2a3b h GLY 152 CO -0.03 0.38 0.16 3.21 0.00 0.00 0.00 176.54 180.27 2a3b h ARG 153 N 0.58 1.01 -0.27 4.80 3.08 -0.92 -0.56 114.38 122.10 2a3b h ARG 153 Ca 0.15 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 2a3b h ARG 153 Cb 0.21 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2a3b h ARG 153 CO -0.01 0.91 -0.29 0.87 -1.07 0.00 0.00 179.97 180.38 2a3b h LYS 154 N 0.93 0.55 -0.13 0.04 1.57 -1.02 -2.31 116.57 116.20 2a3b h LYS 154 Ca 0.20 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 2a3b h LYS 154 Cb 0.35 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2a3b h LYS 154 CO 0.00 0.78 -0.63 -0.97 -0.57 0.00 0.00 179.45 178.06 2a3b h ASN 155 N 0.48 0.55 0.07 0.86 -1.24 -0.84 -1.32 115.58 114.13 2a3b h ASN 155 Ca 0.06 -0.32 0.02 0.00 0.71 0.00 0.00 56.30 56.77 2a3b h ASN 155 Cb 0.74 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.61 2a3b h ASN 155 CO 0.06 1.04 -0.17 0.15 -1.29 0.00 0.00 177.43 177.22 2a3b h PHE 156 N 0.35 -0.45 -0.43 0.67 3.04 -0.86 0.46 116.94 119.72 2a3b h PHE 156 Ca -0.01 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2a3b h PHE 156 Cb 1.19 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.87 2a3b h PHE 156 CO 0.04 -0.25 0.27 0.00 -2.02 0.00 0.00 178.31 176.35 2a3b h ALA 157 N 0.55 0.55 -0.39 2.41 0.00 -1.32 -0.31 119.26 120.74 2a3b h ALA 157 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2a3b h ALA 157 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2a3b h ALA 157 CO -0.12 0.03 0.08 -0.22 0.00 0.00 0.00 179.25 179.02 2a3b h LYS 158 N 0.57 0.63 -0.24 0.00 3.64 -1.04 -1.11 116.57 119.02 2a3b h LYS 158 Ca 0.16 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 2a3b h LYS 158 Cb -0.02 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2a3b h LYS 158 CO -0.03 0.68 -0.53 1.79 -2.27 0.00 0.00 179.45 179.09 2a3b h THR 159 N 0.49 1.30 -0.49 1.00 1.35 -0.80 -2.01 112.91 113.74 2a3b h THR 159 Ca 0.12 -1.74 -0.09 0.00 -0.55 0.00 0.00 66.41 64.14 2a3b h THR 159 Cb 0.34 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 2a3b h THR 159 CO 0.00 0.55 -0.05 0.00 -0.25 0.00 0.00 175.52 175.77 2a3b h ALA 160 N 0.87 0.67 0.00 6.62 0.00 -1.00 -2.18 119.26 124.24 2a3b h ALA 160 Ca 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2a3b h ALA 160 Cb 1.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2a3b h ALA 160 CO 0.11 0.53 -0.34 0.28 0.00 0.00 0.00 179.25 179.83 2a3b h VAL 161 N 0.76 1.09 -0.54 0.00 2.07 -1.16 -1.89 116.25 116.58 2a3b h VAL 161 Ca 0.13 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 2a3b h VAL 161 Cb 0.59 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2a3b h VAL 161 CO 0.04 0.33 -0.03 0.50 0.02 0.00 0.00 177.57 178.43 2a3b h LYS 162 N 0.00 0.98 -0.42 1.57 1.63 -1.05 -0.23 116.57 119.05 2a3b h LYS 162 Ca -0.00 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 2a3b h LYS 162 Cb 0.66 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2a3b h LYS 162 CO 0.04 1.00 0.24 -0.07 -3.45 0.00 0.00 179.45 177.21 2a3b h LEU 163 N 0.86 0.52 -0.41 5.20 3.38 -0.87 -2.05 115.31 121.93 2a3b h LEU 163 Ca 0.15 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2a3b h LEU 163 Cb 0.57 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2a3b h LEU 163 CO 0.03 0.45 0.21 0.25 0.09 0.00 0.00 178.44 179.47 2a3b h LEU 164 N 0.55 0.31 -1.45 1.67 6.46 -1.02 0.79 115.31 122.63 2a3b h LEU 164 Ca 0.15 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2a3b h LEU 164 Cb 0.04 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2a3b h LEU 164 CO -0.02 0.22 -0.18 0.06 -0.62 0.00 0.00 178.44 177.90 2a3b h GLN 165 N 0.42 0.00 0.07 1.25 3.07 -0.83 -2.14 115.11 116.95 2a3b h GLN 165 Ca 0.17 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.60 2a3b h GLN 165 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.61 2a3b h GLN 165 CO -0.12 0.18 -1.73 -0.25 0.09 0.00 0.00 178.83 177.00 2a3b n ASP 166 N -3.46 2.01 -0.02 0.06 8.00 -0.79 -3.54 116.55 118.81 2a3b n ASP 166 Ca -0.01 0.29 0.12 0.00 0.71 0.00 0.00 54.79 55.91 2a3b n ASP 166 Cb 0.35 -0.90 0.31 0.00 -0.02 0.00 0.00 41.12 40.86 2a3b n ASP 166 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a3b n LEU 167 N -3.88 0.48 -0.25 0.64 4.77 0.24 -4.59 117.00 114.40 2a3b n LEU 167 Ca -0.33 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2a3b n LEU 167 Cb 0.90 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 2a3b n LEU 167 CO 0.32 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2a3b n GLY 168 N 1.48 0.89 3.90 -0.72 0.00 -0.81 -4.89 105.19 105.04 2a3b n GLY 168 Ca 0.06 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2a3b n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a3b s PHE 169 N -2.50 3.54 -2.48 1.61 0.08 -1.16 -4.89 117.98 112.17 2a3b s PHE 169 Ca 0.00 0.81 0.24 0.00 0.12 0.00 0.00 56.93 58.10 2a3b s PHE 169 Cb 0.00 -2.29 0.22 0.00 -0.57 0.00 0.00 43.02 40.38 2a3b s PHE 169 CO 0.00 -0.20 1.25 -0.25 -0.10 0.00 0.00 175.22 175.93 2a3b n ASP 170 N -1.98 2.35 0.00 1.36 8.00 0.81 -4.90 116.55 122.19 2a3b n ASP 170 Ca 0.00 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.82 2a3b n ASP 170 Cb 0.55 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 2a3b n ASP 170 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a3b n GLY 171 N 1.36 -1.51 3.05 0.44 0.00 -1.25 -1.24 105.19 106.05 2a3b n GLY 171 Ca 0.12 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 2a3b n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3b s LEU 172 N 0.00 2.06 -0.11 0.99 1.43 -0.29 -1.84 118.68 120.92 2a3b s LEU 172 Ca 0.00 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2a3b s LEU 172 Cb 0.00 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.74 2a3b s LEU 172 CO 0.00 0.08 -0.22 -0.62 0.23 0.00 0.00 176.35 175.83 2a3b s ASP 173 N -0.46 2.94 -0.21 2.29 2.15 0.26 -1.61 116.67 122.04 2a3b s ASP 173 Ca 0.02 -0.54 -0.04 0.00 0.43 0.00 0.00 52.55 52.42 2a3b s ASP 173 Cb -0.05 -1.35 -0.02 0.00 -0.30 0.00 0.00 42.92 41.21 2a3b s ASP 173 CO -0.00 0.11 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.46 2a3b s ILE 174 N 0.59 3.63 -0.56 4.11 1.01 -0.10 0.04 121.20 129.92 2a3b s ILE 174 Ca -0.13 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2a3b s ILE 174 Cb -0.17 -2.65 0.14 0.00 0.01 0.00 0.00 42.46 39.80 2a3b s ILE 174 CO 0.04 0.42 0.33 -1.81 0.00 0.00 0.00 174.94 173.92 2a3b s ASP 175 N 1.26 4.79 -0.36 3.58 -0.00 0.31 -2.61 116.67 123.63 2a3b s ASP 175 Ca 0.03 -2.87 -0.08 0.00 -0.00 0.00 0.00 52.55 49.63 2a3b s ASP 175 Cb -0.14 -1.74 0.05 0.00 -0.00 0.00 0.00 42.92 41.08 2a3b s ASP 175 CO -0.00 -0.31 0.16 0.86 -0.00 0.00 0.00 175.17 175.88 2a3b s TRP 176 N -0.09 3.28 -0.56 4.23 -0.11 -1.26 -0.99 118.94 123.45 2a3b s TRP 176 Ca 0.16 -1.36 -0.03 0.00 1.22 0.00 0.00 56.10 56.10 2a3b s TRP 176 Cb -0.23 -2.47 0.14 0.00 -1.50 0.00 0.00 33.47 29.42 2a3b s TRP 176 CO -0.02 -0.74 0.36 -1.21 -4.62 0.00 0.00 176.95 170.72 2a3b s GLU 177 N 1.44 2.37 0.11 5.86 8.01 -1.26 -4.28 118.70 130.94 2a3b s GLU 177 Ca 0.00 -2.32 -0.17 0.00 0.01 0.00 0.00 54.97 52.49 2a3b s GLU 177 Cb -0.20 -3.67 0.04 0.00 -4.31 0.00 0.00 34.13 25.99 2a3b s GLU 177 CO 0.03 -1.14 0.41 0.71 0.01 0.00 0.00 175.26 175.29 2a3b s TYR 178 N 0.29 -0.23 0.22 1.61 1.51 -1.26 -4.80 117.35 114.68 2a3b s TYR 178 Ca 0.14 -0.01 -0.32 0.00 -1.01 0.00 0.00 57.07 55.87 2a3b s TYR 178 Cb -0.21 0.26 -0.12 0.00 -0.11 0.00 0.00 41.96 41.77 2a3b s TYR 178 CO -0.03 -0.67 1.64 -2.30 -1.11 0.00 0.00 175.55 173.08 2a3b n PRO 179 N -0.05 2.58 0.00 -1.71 -0.02 -1.26 -4.88 135.00 129.67 2a3b n PRO 179 Ca -0.17 0.93 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 2a3b n PRO 179 Cb 0.63 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 2a3b n PRO 179 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2a3b n GLU 180 N 3.32 0.17 -3.91 -0.52 1.02 -1.26 -4.90 120.64 114.55 2a3b n GLU 180 Ca 0.14 -0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 2a3b n GLU 180 Cb 0.34 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 2a3b n GLU 180 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2a3b s ASN 181 N -3.43 0.23 0.24 1.62 2.20 -1.26 -5.04 114.94 109.49 2a3b s ASN 181 Ca 0.05 -1.16 -0.05 0.00 -0.94 0.00 0.00 52.86 50.76 2a3b s ASN 181 Cb 0.15 0.76 0.32 0.00 -2.00 0.00 0.00 41.25 40.48 2a3b s ASN 181 CO 0.85 -1.48 1.87 -0.78 -2.94 0.00 0.00 177.10 174.62 2a3b h ASP 182 N 2.06 0.93 -0.46 3.54 3.58 -1.96 -0.42 116.42 123.69 2a3b h ASP 182 Ca -0.29 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.17 2a3b h ASP 182 Cb 1.25 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 2a3b h ASP 182 CO 0.37 0.61 0.30 -0.61 -2.88 0.00 0.00 179.24 177.04 2a3b h GLN 183 N 1.08 0.60 -0.57 0.28 5.75 -1.97 0.11 115.11 120.39 2a3b h GLN 183 Ca 0.38 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.75 2a3b h GLN 183 Cb 0.10 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 2a3b h GLN 183 CO -0.15 0.40 0.02 1.96 -2.65 0.00 0.00 178.83 178.40 2a3b h GLN 184 N 0.62 0.98 -0.79 1.69 4.20 -1.84 0.29 115.11 120.26 2a3b h GLN 184 Ca 0.17 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 2a3b h GLN 184 Cb -0.07 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 2a3b h GLN 184 CO -0.04 0.95 0.34 0.00 -0.67 0.00 0.00 178.83 179.41 2a3b h ALA 185 N 1.10 1.03 -0.29 3.87 0.00 -0.49 0.53 119.26 125.01 2a3b h ALA 185 Ca 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2a3b h ALA 185 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2a3b h ALA 185 CO 0.02 0.64 0.06 -0.91 0.00 0.00 0.00 179.25 179.06 2a3b h ASN 186 N 1.14 0.44 -0.21 0.00 -0.26 -0.39 -2.61 115.58 113.70 2a3b h ASN 186 Ca 0.27 -0.25 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 2a3b h ASN 186 Cb 0.18 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 2a3b h ASN 186 CO -0.03 0.58 0.01 0.44 -1.06 0.00 0.00 177.43 177.37 2a3b h ASP 187 N 0.29 0.44 -0.47 5.81 3.32 -0.56 -1.53 116.42 123.73 2a3b h ASP 187 Ca 0.09 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2a3b h ASP 187 Cb 0.31 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2a3b h ASP 187 CO 0.00 0.50 0.25 0.15 -1.72 0.00 0.00 179.24 178.43 2a3b h PHE 188 N 0.46 0.66 -0.60 4.55 3.57 -0.71 0.25 116.94 125.13 2a3b h PHE 188 Ca 0.10 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2a3b h PHE 188 Cb 0.29 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2a3b h PHE 188 CO 0.01 0.50 0.31 0.28 -2.23 0.00 0.00 178.31 177.19 2a3b h VAL 189 N 0.62 1.20 -0.60 1.41 2.07 -1.01 -0.77 116.25 119.17 2a3b h VAL 189 Ca 0.16 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2a3b h VAL 189 Cb 0.07 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2a3b h VAL 189 CO -0.02 0.22 0.20 -0.07 0.02 0.00 0.00 177.57 177.92 2a3b h LEU 190 N 0.81 0.83 -0.23 2.57 3.38 -0.77 -1.60 115.31 120.31 2a3b h LEU 190 Ca 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2a3b h LEU 190 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2a3b h LEU 190 CO -0.03 0.78 0.05 0.25 0.09 0.00 0.00 178.44 179.58 2a3b h LEU 191 N 0.88 0.35 -0.87 1.67 5.85 -0.02 -2.10 115.31 121.06 2a3b h LEU 191 Ca 0.20 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2a3b h LEU 191 Cb 0.23 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2a3b h LEU 191 CO -0.01 0.50 0.56 -0.07 -0.34 0.00 0.00 178.44 179.07 2a3b h LEU 192 N 0.19 0.91 -0.56 2.25 3.38 -0.73 -0.50 115.31 120.25 2a3b h LEU 192 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2a3b h LEU 192 Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2a3b h LEU 192 CO 0.00 0.61 0.24 0.50 0.09 0.00 0.00 178.44 179.89 2a3b h LYS 193 N 1.06 0.83 -0.63 1.13 3.64 -1.17 0.17 116.57 121.60 2a3b h LYS 193 Ca 0.36 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2a3b h LYS 193 Cb 0.06 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2a3b h LYS 193 CO -0.13 0.70 0.37 1.49 -2.27 0.00 0.00 179.45 179.60 2a3b h GLU 194 N 0.77 0.86 -0.19 1.90 4.57 -0.63 -0.40 114.58 121.46 2a3b h GLU 194 Ca 0.19 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2a3b h GLU 194 Cb 0.17 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2a3b h GLU 194 CO -0.02 0.63 0.00 0.28 -1.18 0.00 0.00 179.01 178.73 2a3b h VAL 195 N 0.86 1.25 -0.66 0.32 2.07 -0.72 -1.76 116.25 117.59 2a3b h VAL 195 Ca 0.22 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.98 2a3b h VAL 195 Cb 0.00 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 2a3b h VAL 195 CO -0.04 0.26 0.31 -0.09 0.02 0.00 0.00 177.57 178.03 2a3b h ARG 196 N 0.09 0.53 -0.58 1.57 9.65 -0.41 -0.03 114.38 125.20 2a3b h ARG 196 Ca 0.05 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 2a3b h ARG 196 Cb 0.38 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.82 2a3b h ARG 196 CO 0.01 0.35 0.13 1.15 2.80 0.00 0.00 179.97 184.42 2a3b h THR 197 N 0.55 1.25 -0.44 0.20 2.02 -0.95 -1.89 112.91 113.64 2a3b h THR 197 Ca 0.32 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.49 2a3b h THR 197 Cb 0.34 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2a3b h THR 197 CO -0.26 0.33 -0.18 0.00 0.37 0.00 0.00 175.52 175.78 2a3b h ALA 198 N 1.02 0.84 -0.51 6.16 0.00 -0.71 -1.14 119.26 124.93 2a3b h ALA 198 Ca 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2a3b h ALA 198 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2a3b h ALA 198 CO 0.00 0.64 0.19 -0.07 0.00 0.00 0.00 179.25 180.02 2a3b h LEU 199 N 0.76 0.71 -0.67 0.00 3.38 -0.89 -1.11 115.31 117.48 2a3b h LEU 199 Ca 0.11 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2a3b h LEU 199 Cb 0.71 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2a3b h LEU 199 CO 0.05 0.69 0.14 0.44 0.09 0.00 0.00 178.44 179.86 2a3b h ASP 200 N 0.68 1.03 -0.35 -0.43 3.32 -1.01 -1.36 116.42 118.30 2a3b h ASP 200 Ca 0.17 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2a3b h ASP 200 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2a3b h ASP 200 CO -0.01 1.01 0.11 -1.28 -1.72 0.00 0.00 179.24 177.35 2a3b h SER 201 N 1.01 0.51 -0.67 6.45 0.87 -1.05 -0.19 113.55 120.48 2a3b h SER 201 Ca 0.21 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2a3b h SER 201 Cb 0.39 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 2a3b h SER 201 CO 0.01 0.58 0.43 0.22 -0.53 0.00 0.00 176.83 177.53 2a3b h TYR 202 N 0.41 0.80 -0.41 2.24 3.20 -1.08 -2.19 116.97 119.94 2a3b h TYR 202 Ca 0.11 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2a3b h TYR 202 Cb 0.25 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2a3b h TYR 202 CO 0.01 0.48 0.08 1.03 -1.64 0.00 0.00 178.16 178.12 2a3b h SER 203 N 0.85 0.64 -0.59 -2.11 0.87 -0.94 0.33 113.55 112.60 2a3b h SER 203 Ca 0.26 -0.25 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2a3b h SER 203 Cb -0.04 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 2a3b h SER 203 CO -0.08 0.73 0.39 0.00 -0.53 0.00 0.00 176.83 177.33 2a3b h ALA 204 N 0.94 1.71 0.12 6.23 0.00 -0.81 0.13 119.26 127.57 2a3b h ALA 204 Ca 0.13 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.70 2a3b h ALA 204 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2a3b h ALA 204 CO 0.01 0.23 -1.59 0.00 0.00 0.00 0.00 179.25 177.89 2a3b h ALA 205 N 1.66 0.31 0.00 0.00 0.00 -1.01 -3.41 119.26 116.81 2a3b h ALA 205 Ca 0.24 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2a3b h ALA 205 Cb 0.11 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2a3b h ALA 205 CO -0.06 1.17 0.00 0.09 0.00 0.00 0.00 179.25 180.45 2a3b n ASN 206 N -3.44 0.86 -0.50 0.00 3.02 0.11 -4.82 115.26 110.49 2a3b n ASN 206 Ca -0.18 -1.36 0.01 0.00 -0.03 0.00 0.00 54.58 53.02 2a3b n ASN 206 Cb 1.05 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.23 2a3b n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a3b n ALA 207 N -0.18 2.05 -2.69 5.41 0.00 0.40 -4.63 120.51 120.87 2a3b n ALA 207 Ca 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 53.44 52.06 2a3b n ALA 207 Cb 0.31 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 2a3b n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3b n GLY 208 N -0.11 -0.50 2.14 0.00 0.00 -0.97 -1.13 105.19 104.62 2a3b n GLY 208 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2a3b n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 209 N -1.01 0.82 3.53 -0.02 0.00 -0.80 -4.97 105.19 102.73 2a3b n GLY 209 Ca -0.13 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.40 2a3b n GLY 209 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2a3b n GLN 210 N -2.21 0.78 -2.89 1.61 -0.06 -0.29 -4.86 117.38 109.47 2a3b n GLN 210 Ca 0.00 0.28 -0.43 0.00 -2.00 0.00 0.00 57.00 54.85 2a3b n GLN 210 Cb 0.00 -1.61 -0.04 0.00 -4.06 0.00 0.00 30.24 24.52 2a3b n GLN 210 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2a3b s HIS 211 N -0.60 2.77 0.41 3.69 5.65 -1.26 -4.83 115.29 121.12 2a3b s HIS 211 Ca 0.69 -0.34 -0.22 0.00 0.25 0.00 0.00 55.06 55.44 2a3b s HIS 211 Cb -0.88 -4.11 -0.11 0.00 -1.18 0.00 0.00 32.58 26.30 2a3b s HIS 211 CO 0.56 -1.45 0.95 -0.06 -0.65 0.00 0.00 174.74 174.08 2a3b s PHE 212 N 3.83 3.39 0.28 3.88 0.08 -1.26 -5.04 117.98 123.15 2a3b s PHE 212 Ca 0.24 1.65 -0.07 0.00 0.12 0.00 0.00 56.93 58.88 2a3b s PHE 212 Cb -0.16 -2.87 -0.06 0.00 -0.57 0.00 0.00 43.02 39.37 2a3b s PHE 212 CO 0.14 -0.04 0.57 -0.51 -0.10 0.00 0.00 175.22 175.28 2a3b s LEU 213 N -2.92 4.07 -0.08 -0.37 1.43 -0.37 -4.95 118.68 115.48 2a3b s LEU 213 Ca 0.59 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2a3b s LEU 213 Cb -0.11 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.53 2a3b s LEU 213 CO 0.16 -0.18 0.04 -0.22 0.23 0.00 0.00 176.35 176.38 2a3b s LEU 214 N -3.37 0.41 0.31 1.79 2.96 -1.26 -1.13 118.68 118.40 2a3b s LEU 214 Ca 0.46 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2a3b s LEU 214 Cb -0.11 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 2a3b s LEU 214 CO 0.28 -0.25 0.14 0.42 -1.32 0.00 0.00 176.35 175.62 2a3b s THR 215 N 2.07 0.45 0.00 3.68 -4.23 -0.63 -0.68 115.64 116.30 2a3b s THR 215 Ca 0.04 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.47 2a3b s THR 215 Cb -0.13 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2a3b s THR 215 CO -0.05 0.00 0.15 0.68 -0.54 0.00 0.00 174.62 174.86 2a3b s VAL 216 N -3.57 0.08 0.10 2.29 -7.23 -1.22 -0.93 120.40 109.93 2a3b s VAL 216 Ca 0.35 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.57 2a3b s VAL 216 Cb 0.05 -0.45 -0.06 0.00 0.56 0.00 0.00 36.38 36.48 2a3b s VAL 216 CO 0.16 -0.38 0.80 0.00 -0.31 0.00 0.00 175.10 175.38 2a3b s ALA 217 N -1.41 3.38 0.04 1.32 0.00 -1.07 -1.02 121.76 122.99 2a3b s ALA 217 Ca -0.15 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.25 2a3b s ALA 217 Cb -0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2a3b s ALA 217 CO 0.02 0.13 -0.21 -1.12 0.00 0.00 0.00 175.76 174.58 2a3b s SER 218 N -0.44 2.49 0.52 0.00 0.01 0.38 -4.64 113.70 112.02 2a3b s SER 218 Ca 0.39 -0.53 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 2a3b s SER 218 Cb -0.22 -0.21 -0.07 0.00 0.21 0.00 0.00 66.02 65.74 2a3b s SER 218 CO 0.25 0.16 1.11 -2.16 0.41 0.00 0.00 173.24 173.02 2a3b s PRO 219 N -1.19 3.50 -0.01 12.44 0.04 -1.26 -0.84 135.00 147.68 2a3b s PRO 219 Ca 0.07 1.58 0.19 0.00 0.04 0.00 0.00 61.00 62.88 2a3b s PRO 219 Cb -0.09 -2.07 -0.24 0.00 0.04 0.00 0.00 34.50 32.14 2a3b s PRO 219 CO 0.02 -0.72 0.65 0.00 0.04 0.00 0.00 177.00 176.99 2a3b n ALA 220 N -1.13 3.79 -2.33 8.56 0.00 -1.26 -4.76 120.51 123.38 2a3b n ALA 220 Ca 0.11 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2a3b n ALA 220 Cb 0.51 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 2a3b n ALA 220 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2a3b s GLY 221 N -3.31 1.70 0.25 0.00 0.00 -1.26 -4.53 107.32 100.17 2a3b s GLY 221 Ca 0.02 0.61 -0.06 0.00 0.00 0.00 0.00 44.72 45.29 2a3b s GLY 221 CO 0.78 2.56 1.65 -2.55 0.00 0.00 0.00 173.10 175.54 2a3b h PRO 222 N 8.32 0.15 -0.84 2.90 0.11 -1.95 -0.92 132.00 139.76 2a3b h PRO 222 Ca -0.31 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2a3b h PRO 222 Cb 1.13 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2a3b h PRO 222 CO 0.95 0.10 0.52 -0.44 -0.21 0.00 0.00 178.00 178.92 2a3b h ASP 223 N 0.15 1.00 -0.18 -2.05 3.32 -2.00 -1.44 116.42 115.21 2a3b h ASP 223 Ca 0.42 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 2a3b h ASP 223 Cb 0.75 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2a3b h ASP 223 CO -0.62 0.75 -0.18 0.11 -1.72 0.00 0.00 179.24 177.58 2a3b h LYS 224 N 1.15 0.45 -0.69 3.56 6.56 -1.62 -3.21 116.57 122.78 2a3b h LYS 224 Ca 0.30 -0.24 0.03 0.00 -1.06 0.00 0.00 60.65 59.69 2a3b h LYS 224 Cb -0.07 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.55 2a3b h LYS 224 CO -0.06 0.81 0.43 0.82 -2.06 0.00 0.00 179.45 179.39 2a3b h ILE 225 N 0.11 1.08 0.00 1.86 2.04 -0.93 -2.50 117.51 119.16 2a3b h ILE 225 Ca 0.03 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2a3b h ILE 225 Cb 0.72 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2a3b h ILE 225 CO 0.05 0.15 -0.02 0.11 0.00 0.00 0.00 178.15 178.44 2a3b h LYS 226 N 0.83 0.00 -0.01 2.37 1.57 -1.27 -1.88 116.57 118.18 2a3b h LYS 226 Ca 0.28 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.84 2a3b h LYS 226 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2a3b h LYS 226 CO -0.12 0.02 -0.92 0.28 -0.57 0.00 0.00 179.45 178.14 2a3b h VAL 227 N 0.00 1.41 -4.10 0.50 2.07 -1.45 -3.46 116.25 111.22 2a3b h VAL 227 Ca -0.00 -2.44 -0.53 0.00 0.82 0.00 0.00 66.70 64.55 2a3b h VAL 227 Cb 0.09 2.40 0.11 0.00 -1.52 0.00 0.00 31.29 32.37 2a3b h VAL 227 CO 0.00 0.73 0.47 -0.76 0.02 0.00 0.00 177.57 178.03 2a3b s LEU 228 N -7.72 3.67 -0.97 2.57 1.43 -0.71 -4.74 118.68 112.20 2a3b s LEU 228 Ca -0.06 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 2a3b s LEU 228 Cb 0.09 -4.60 0.25 0.00 0.03 0.00 0.00 46.19 41.96 2a3b s LEU 228 CO 0.86 -1.60 0.94 -1.00 0.23 0.00 0.00 176.35 175.79 2a3b s HIS 229 N -1.58 4.02 0.15 0.29 3.76 -1.26 -4.94 115.29 115.72 2a3b s HIS 229 Ca 0.77 -2.36 -0.20 0.00 -0.15 0.00 0.00 55.06 53.12 2a3b s HIS 229 Cb -0.31 -3.82 0.03 0.00 1.11 0.00 0.00 32.58 29.60 2a3b s HIS 229 CO 0.33 -0.97 1.67 -0.07 -0.85 0.00 0.00 174.74 174.85 2a3b h LEU 230 N 7.19 -0.45 -0.41 0.89 3.38 -1.90 -1.37 115.31 122.65 2a3b h LEU 230 Ca 0.14 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2a3b h LEU 230 Cb 0.95 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2a3b h LEU 230 CO 0.88 -0.17 0.10 0.11 0.09 0.00 0.00 178.44 179.45 2a3b h LYS 231 N -0.10 0.65 -0.76 1.13 1.57 -1.93 0.52 116.57 117.65 2a3b h LYS 231 Ca 0.14 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2a3b h LYS 231 Cb 0.31 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2a3b h LYS 231 CO -0.33 0.67 0.36 -0.44 -0.57 0.00 0.00 179.45 179.14 2a3b h ASP 232 N 0.52 1.00 -0.12 0.86 3.32 -1.93 -2.48 116.42 117.59 2a3b h ASP 232 Ca 0.13 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2a3b h ASP 232 Cb 0.31 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2a3b h ASP 232 CO 0.00 0.85 -0.03 0.24 -1.72 0.00 0.00 179.24 178.57 2a3b h MET 233 N 1.09 0.23 -0.95 3.56 2.86 -1.05 -3.23 114.93 117.43 2a3b h MET 233 Ca 0.26 -0.09 0.17 0.00 -2.06 0.00 0.00 59.70 57.98 2a3b h MET 233 Cb 0.12 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.68 2a3b h MET 233 CO -0.03 0.54 0.60 0.22 1.06 0.00 0.00 176.91 179.30 2a3b h ASP 234 N -0.10 0.69 -0.02 1.22 3.58 -0.62 0.35 116.42 121.52 2a3b h ASP 234 Ca 0.03 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.55 2a3b h ASP 234 Cb 0.46 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2a3b h ASP 234 CO 0.01 0.31 0.03 -0.61 -2.88 0.00 0.00 179.24 176.10 2a3b h GLN 235 N 0.71 0.00 -0.01 0.28 4.15 -1.46 -1.93 115.11 116.84 2a3b h GLN 235 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.93 2a3b h GLN 235 Cb 0.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.53 2a3b h GLN 235 CO -0.27 0.00 -0.48 1.04 -1.93 0.00 0.00 178.83 177.19 2a3b n GLN 236 N -3.67 1.39 -4.08 1.69 1.13 0.09 -5.01 117.38 108.92 2a3b n GLN 236 Ca -0.02 -0.75 -0.30 0.00 -1.94 0.00 0.00 57.00 53.98 2a3b n GLN 236 Cb 0.11 -1.37 -0.07 0.00 0.11 0.00 0.00 30.24 29.03 2a3b n GLN 236 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2a3b s LEU 237 N -2.35 3.69 -0.04 1.08 1.43 -0.73 -4.80 118.68 116.96 2a3b s LEU 237 Ca 0.14 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2a3b s LEU 237 Cb 0.15 -2.38 -0.27 0.00 0.03 0.00 0.00 46.19 43.72 2a3b s LEU 237 CO 0.53 0.18 0.68 0.44 0.23 0.00 0.00 176.35 178.41 2a3b h ASP 238 N 3.36 0.35 -4.99 2.29 3.32 -1.19 -3.48 116.42 116.08 2a3b h ASP 238 Ca -0.47 -0.59 0.19 0.00 0.02 0.00 0.00 57.03 56.17 2a3b h ASP 238 Cb 1.16 -0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.47 2a3b h ASP 238 CO 0.64 1.51 0.58 0.72 -1.72 0.00 0.00 179.24 180.97 2a3b s PHE 239 N -2.60 -0.20 -0.11 4.55 -0.12 -1.26 -4.91 117.98 113.34 2a3b s PHE 239 Ca -0.12 0.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.80 2a3b s PHE 239 Cb 0.07 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 2a3b s PHE 239 CO 0.83 -0.55 -0.17 -1.58 -0.05 0.00 0.00 175.22 173.69 2a3b s TRP 240 N -2.98 2.71 -0.50 3.49 0.52 0.91 -3.41 118.94 119.68 2a3b s TRP 240 Ca 0.09 -0.70 -0.14 0.00 0.02 0.00 0.00 56.10 55.37 2a3b s TRP 240 Cb -0.00 -1.77 0.11 0.00 -1.15 0.00 0.00 33.47 30.66 2a3b s TRP 240 CO -0.04 -0.22 0.43 -0.80 0.02 0.00 0.00 176.95 176.34 2a3b s ASN 241 N 0.19 6.05 -0.13 2.95 0.01 -0.19 -0.30 114.94 123.52 2a3b s ASN 241 Ca -0.10 -1.67 -0.29 0.00 -0.71 0.00 0.00 52.86 50.09 2a3b s ASN 241 Cb -0.16 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 2a3b s ASN 241 CO 0.06 -0.75 1.40 -0.22 -1.51 0.00 0.00 177.10 176.07 2a3b s LEU 242 N 1.56 4.23 -1.36 0.60 2.96 -0.42 -0.47 118.68 125.77 2a3b s LEU 242 Ca 0.04 1.88 -0.15 0.00 -0.22 0.00 0.00 54.13 55.68 2a3b s LEU 242 Cb -0.27 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 42.96 2a3b s LEU 242 CO 0.03 -0.82 1.95 0.23 -1.32 0.00 0.00 176.35 176.42 2a3b n MET 243 N 6.79 3.11 -1.53 1.98 2.81 -0.02 -0.97 117.12 129.29 2a3b n MET 243 Ca 0.15 -3.06 -0.37 0.00 -1.81 0.00 0.00 57.70 52.62 2a3b n MET 243 Cb 0.44 -3.30 -0.03 0.00 -0.71 0.00 0.00 33.22 29.62 2a3b n MET 243 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a3b n ALA 244 N 6.59 7.16 -3.53 3.04 0.00 -1.25 -4.27 120.51 128.25 2a3b n ALA 244 Ca 0.48 -3.56 -0.02 0.00 0.00 0.00 0.00 53.44 50.34 2a3b n ALA 244 Cb 0.41 -3.02 0.01 0.00 0.00 0.00 0.00 19.45 16.86 2a3b n ALA 244 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2a3b n TYR 245 N 2.70 -1.77 -2.65 0.00 0.18 -1.26 -4.57 117.16 109.79 2a3b n TYR 245 Ca 0.69 -1.24 -0.21 0.00 1.88 0.00 0.00 57.90 59.02 2a3b n TYR 245 Cb 0.31 0.56 0.01 0.00 -0.38 0.00 0.00 39.34 39.84 2a3b n TYR 245 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2a3b n ASP 246 N -1.41 -5.70 0.15 9.48 8.00 -0.65 -4.87 116.55 121.56 2a3b n ASP 246 Ca -0.05 -0.10 0.13 0.00 0.71 0.00 0.00 54.79 55.48 2a3b n ASP 246 Cb 0.38 -4.70 0.47 0.00 -0.02 0.00 0.00 41.12 37.25 2a3b n ASP 246 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2a3b h TYR 247 N -0.51 0.00 -3.08 1.24 0.05 -1.08 -3.45 116.97 110.14 2a3b h TYR 247 Ca -0.49 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.19 2a3b h TYR 247 Cb 1.35 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.90 2a3b h TYR 247 CO 0.57 0.00 -0.25 0.00 -1.05 0.00 0.00 178.16 177.43 2a3b s ALA 248 N -3.30 -0.78 0.00 3.88 0.00 -1.26 -4.66 121.76 115.64 2a3b s ALA 248 Ca 0.06 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2a3b s ALA 248 Cb 0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2a3b s ALA 248 CO 0.50 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.36 2a3b n GLY 249 N 1.06 -0.64 0.32 0.00 0.00 -1.26 -4.72 105.19 99.94 2a3b n GLY 249 Ca -0.21 -0.52 0.20 0.00 0.00 0.00 0.00 46.02 45.50 2a3b n GLY 249 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2a3b h SER 250 N 0.00 0.00 0.11 1.61 4.64 -1.95 -0.80 113.55 117.16 2a3b h SER 250 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a3b h SER 250 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2a3b h SER 250 CO 0.00 0.01 -0.02 2.22 -0.87 0.00 0.00 176.83 178.17 2a3b n PHE 251 N -3.15 0.00 -3.70 4.77 1.16 -1.26 -4.86 117.46 110.42 2a3b n PHE 251 Ca -0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.24 2a3b n PHE 251 Cb 0.14 -0.06 -0.05 0.00 -1.61 0.00 0.00 39.48 37.91 2a3b n PHE 251 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2a3b s SER 252 N -2.13 6.50 0.24 5.98 0.01 -0.31 -5.01 113.70 118.98 2a3b s SER 252 Ca 0.41 0.59 -0.01 0.00 1.31 0.00 0.00 55.95 58.25 2a3b s SER 252 Cb 0.21 -2.09 0.29 0.00 0.21 0.00 0.00 66.02 64.64 2a3b s SER 252 CO 0.39 0.12 1.65 0.28 0.41 0.00 0.00 173.24 176.09 2a3b h SER 253 N 3.20 0.59 -4.14 2.44 0.02 -1.89 -3.46 113.55 110.32 2a3b h SER 253 Ca -0.47 -0.23 -0.33 0.00 -0.84 0.00 0.00 61.79 59.92 2a3b h SER 253 Cb 1.17 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 63.41 2a3b h SER 253 CO 0.71 0.86 -0.67 -0.76 -1.14 0.00 0.00 176.83 175.83 2a3b s LEU 254 N -8.67 2.22 0.71 5.07 1.43 -1.26 -4.71 118.68 113.47 2a3b s LEU 254 Ca -0.08 -1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 51.71 2a3b s LEU 254 Cb 0.13 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.18 2a3b s LEU 254 CO 0.81 -0.50 1.16 -0.94 0.23 0.00 0.00 176.35 177.10 2a3b s SER 255 N -3.23 4.53 0.09 2.29 1.04 0.05 -4.81 113.70 113.66 2a3b s SER 255 Ca 0.25 2.17 -0.25 0.00 0.48 0.00 0.00 55.95 58.59 2a3b s SER 255 Cb 0.05 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.69 2a3b s SER 255 CO 0.05 -2.02 1.15 -0.83 0.98 0.00 0.00 173.24 172.57 2a3b s GLY 256 N -2.36 -0.01 0.04 7.32 0.00 -1.26 -0.49 107.32 110.55 2a3b s GLY 256 Ca 0.70 -0.13 -0.26 0.00 0.00 0.00 0.00 44.72 45.03 2a3b s GLY 256 CO 0.45 3.64 0.79 0.30 0.00 0.00 0.00 173.10 178.28 2a3b s HIS 257 N -2.13 3.73 -0.97 1.90 3.76 -0.08 -4.78 115.29 116.71 2a3b s HIS 257 Ca 0.25 1.51 0.25 0.00 -0.15 0.00 0.00 55.06 56.91 2a3b s HIS 257 Cb -0.01 -2.86 0.49 0.00 1.11 0.00 0.00 32.58 31.31 2a3b s HIS 257 CO 0.02 0.24 1.41 0.00 -0.85 0.00 0.00 174.74 175.56 2a3b n GLN 258 N 2.93 0.02 -0.70 1.40 10.64 -1.26 -4.02 117.38 126.39 2a3b n GLN 258 Ca -0.01 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 2a3b n GLN 258 Cb 0.50 -1.51 -0.01 0.00 -0.86 0.00 0.00 30.24 28.36 2a3b n GLN 258 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2a3b n ALA 259 N -1.53 2.32 -1.75 2.61 0.00 -1.26 -0.57 120.51 120.33 2a3b n ALA 259 Ca 0.05 -0.71 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 2a3b n ALA 259 Cb 0.34 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.52 2a3b n ALA 259 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2a3b n ASN 260 N 0.06 3.11 0.11 0.00 6.94 -1.26 -4.87 115.26 119.35 2a3b n ASN 260 Ca -0.04 1.09 -0.21 0.00 -0.02 0.00 0.00 54.58 55.40 2a3b n ASN 260 Cb 0.67 -1.59 -0.13 0.00 -2.36 0.00 0.00 39.78 36.37 2a3b n ASN 260 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2a3b h VAL 261 N 2.08 1.34 -3.06 3.53 2.07 -1.17 -2.50 116.25 118.54 2a3b h VAL 261 Ca -0.51 -2.69 -0.58 0.00 0.82 0.00 0.00 66.70 63.75 2a3b h VAL 261 Cb 1.28 2.85 -0.17 0.00 -1.52 0.00 0.00 31.29 33.73 2a3b h VAL 261 CO 0.60 0.80 -0.79 -0.31 0.02 0.00 0.00 177.57 177.89 2a3b s TYR 262 N -2.80 2.06 0.41 1.57 2.02 -1.18 -1.19 117.35 118.25 2a3b s TYR 262 Ca -0.08 -0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 55.96 2a3b s TYR 262 Cb 0.06 -1.00 -0.08 0.00 -0.40 0.00 0.00 41.96 40.54 2a3b s TYR 262 CO 0.92 0.46 1.22 1.21 -1.57 0.00 0.00 175.55 177.79 2a3b s ASN 263 N -2.84 6.36 -0.57 2.29 2.47 -1.26 -4.72 114.94 116.67 2a3b s ASN 263 Ca 0.20 2.46 -0.19 0.00 0.42 0.00 0.00 52.86 55.75 2a3b s ASN 263 Cb -0.06 -2.62 0.09 0.00 -1.45 0.00 0.00 41.25 37.21 2a3b s ASN 263 CO 0.09 -0.80 0.67 -0.62 -3.72 0.00 0.00 177.10 172.72 2a3b s ASP 264 N -1.02 6.19 0.50 -4.21 -1.08 -1.26 -4.87 116.67 110.92 2a3b s ASP 264 Ca 0.58 -1.33 0.33 0.00 -0.52 0.00 0.00 52.55 51.61 2a3b s ASP 264 Cb -0.33 -2.29 1.52 0.00 -1.46 0.00 0.00 42.92 40.35 2a3b s ASP 264 CO 0.42 -1.04 1.99 0.71 0.52 0.00 0.00 175.17 177.77 2a3b h THR 265 N 5.90 0.00 0.00 1.71 1.35 -1.97 0.45 112.91 120.36 2a3b h THR 265 Ca -0.29 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2a3b h THR 265 Cb 1.09 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2a3b h THR 265 CO 1.06 0.00 -0.53 -1.54 -0.25 0.00 0.00 175.52 174.26 2a3b n SER 266 N -2.86 0.62 -2.74 5.36 3.41 -1.26 -4.46 113.62 111.69 2a3b n SER 266 Ca -0.00 0.09 -0.08 0.00 -0.26 0.00 0.00 58.87 58.61 2a3b n SER 266 Cb 0.22 0.09 0.07 0.00 -0.26 0.00 0.00 64.21 64.33 2a3b n SER 266 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2a3b n ASN 267 N -1.95 -2.65 -0.01 4.04 5.15 -0.82 -5.02 115.26 114.00 2a3b n ASN 267 Ca 0.04 -3.50 0.18 0.00 -0.60 0.00 0.00 54.58 50.70 2a3b n ASN 267 Cb 0.41 1.88 0.65 0.00 -0.53 0.00 0.00 39.78 42.19 2a3b n ASN 267 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2a3b h PRO 268 N 3.53 0.09 0.00 1.20 0.13 -1.15 -1.34 132.00 134.46 2a3b h PRO 268 Ca -0.13 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2a3b h PRO 268 Cb 1.06 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2a3b h PRO 268 CO 0.24 0.06 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.97 2a3b h LEU 269 N 0.09 0.00 0.00 1.56 3.38 -1.89 -1.68 115.31 116.76 2a3b h LEU 269 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2a3b h LEU 269 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2a3b h LEU 269 CO -0.02 0.02 -0.19 -1.54 0.09 0.00 0.00 178.44 176.80 2a3b n SER 270 N -3.36 0.27 -3.43 -0.43 3.41 -0.50 -4.36 113.62 105.22 2a3b n SER 270 Ca -0.02 0.26 -0.26 0.00 -0.26 0.00 0.00 58.87 58.58 2a3b n SER 270 Cb 0.14 -0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 2a3b n SER 270 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2a3b n THR 271 N -1.61 1.33 0.31 6.66 -2.24 -0.63 -0.91 114.28 117.19 2a3b n THR 271 Ca 0.06 -4.78 0.19 0.00 -2.27 0.00 0.00 64.05 57.25 2a3b n THR 271 Cb 0.35 -2.05 1.04 0.00 -2.10 0.00 0.00 70.33 67.58 2a3b n THR 271 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2a3b h PRO 272 N 4.38 0.00 -4.57 -0.78 0.13 -1.76 -3.43 132.00 125.97 2a3b h PRO 272 Ca 0.17 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.07 2a3b h PRO 272 Cb 0.74 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.72 2a3b h PRO 272 CO 0.70 0.01 -0.65 -0.06 -0.23 0.00 0.00 178.00 177.78 2a3b s PHE 273 N -4.34 1.03 -0.14 1.56 0.40 -1.26 -5.11 117.98 110.12 2a3b s PHE 273 Ca -0.05 -1.20 -0.20 0.00 -0.60 0.00 0.00 56.93 54.89 2a3b s PHE 273 Cb 0.14 -0.57 0.05 0.00 0.51 0.00 0.00 43.02 43.14 2a3b s PHE 273 CO 0.49 -0.45 0.51 0.54 0.70 0.00 0.00 175.22 177.01 2a3b s ASN 274 N -3.11 -0.49 0.30 1.36 2.20 -1.26 -4.79 114.94 109.14 2a3b s ASN 274 Ca 0.27 0.81 0.01 0.00 -0.94 0.00 0.00 52.86 53.01 2a3b s ASN 274 Cb 0.07 0.83 0.47 0.00 -2.00 0.00 0.00 41.25 40.62 2a3b s ASN 274 CO 0.04 -0.30 1.83 0.74 -2.94 0.00 0.00 177.10 176.48 2a3b h THR 275 N 4.01 1.22 -0.46 0.54 2.02 -1.09 -3.15 112.91 116.00 2a3b h THR 275 Ca -0.28 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.12 2a3b h THR 275 Cb 1.17 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 2a3b h THR 275 CO 0.26 0.30 0.18 -0.61 0.37 0.00 0.00 175.52 176.02 2a3b h GLN 276 N 0.67 0.36 -0.96 6.66 5.75 -1.44 -0.87 115.11 125.27 2a3b h GLN 276 Ca 0.14 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 2a3b h GLN 276 Cb 0.34 -0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.73 2a3b h GLN 276 CO 0.01 0.24 0.61 1.15 -2.65 0.00 0.00 178.83 178.18 2a3b h THR 277 N 0.37 1.00 -0.24 2.39 2.02 -1.82 0.40 112.91 117.03 2a3b h THR 277 Ca 0.21 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2a3b h THR 277 Cb 0.19 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 2a3b h THR 277 CO -0.20 0.19 0.03 0.00 0.37 0.00 0.00 175.52 175.91 2a3b h ALA 278 N 1.48 0.33 -0.17 6.16 0.00 -1.36 -2.28 119.26 123.41 2a3b h ALA 278 Ca 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2a3b h ALA 278 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2a3b h ALA 278 CO -0.21 0.02 -0.03 -0.07 0.00 0.00 0.00 179.25 178.95 2a3b h LEU 279 N 0.21 0.23 -0.42 0.00 3.38 -0.38 -1.04 115.31 117.29 2a3b h LEU 279 Ca 0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2a3b h LEU 279 Cb 0.34 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2a3b h LEU 279 CO 0.01 0.31 0.09 0.44 0.09 0.00 0.00 178.44 179.38 2a3b h ASP 280 N 0.25 0.64 -0.27 -0.43 3.32 -0.73 -1.20 116.42 118.00 2a3b h ASP 280 Ca 0.06 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2a3b h ASP 280 Cb 0.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2a3b h ASP 280 CO 0.01 0.72 0.12 -0.07 -1.72 0.00 0.00 179.24 178.29 2a3b h LEU 281 N 0.54 0.36 -0.12 1.55 3.38 -0.75 -0.70 115.31 119.58 2a3b h LEU 281 Ca 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2a3b h LEU 281 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2a3b h LEU 281 CO 0.00 0.41 0.06 1.88 0.09 0.00 0.00 178.44 180.88 2a3b h TYR 282 N 0.29 0.17 -0.20 1.13 0.05 -1.13 -0.54 116.97 116.75 2a3b h TYR 282 Ca 0.09 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 2a3b h TYR 282 Cb 0.15 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 2a3b h TYR 282 CO -0.01 0.22 -0.12 0.00 -1.05 0.00 0.00 178.16 177.19 2a3b h ARG 283 N 0.07 0.43 0.00 4.88 3.08 -1.22 -1.16 114.38 120.46 2a3b h ARG 283 Ca 0.04 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 2a3b h ARG 283 Cb 0.11 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2a3b h ARG 283 CO -0.01 0.74 -0.10 0.00 -1.07 0.00 0.00 179.97 179.53 2a3b h ALA 284 N 0.68 1.60 0.00 0.04 0.00 -1.14 -0.01 119.26 120.42 2a3b h ALA 284 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2a3b h ALA 284 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2a3b h ALA 284 CO 0.03 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2a3b n GLY 285 N -1.07 -1.00 0.00 0.00 0.00 -0.21 -4.88 105.19 98.03 2a3b n GLY 285 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2a3b n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 286 N 0.80 0.59 3.70 -0.02 0.00 -0.02 -4.28 105.19 105.96 2a3b n GLY 286 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2a3b n GLY 286 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3b s VAL 287 N -2.00 4.97 0.35 1.61 1.01 -0.48 -4.96 120.40 120.91 2a3b s VAL 287 Ca 0.00 1.59 -0.27 0.00 0.00 0.00 0.00 61.98 63.29 2a3b s VAL 287 Cb 0.00 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 2a3b s VAL 287 CO 0.00 0.16 1.21 -2.16 0.00 0.00 0.00 175.10 174.31 2a3b s PRO 288 N 1.30 4.27 0.29 2.72 0.04 -1.26 -4.03 135.00 138.33 2a3b s PRO 288 Ca 0.40 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.45 2a3b s PRO 288 Cb -0.18 -2.92 0.64 0.00 0.04 0.00 0.00 34.50 32.08 2a3b s PRO 288 CO 0.17 -0.18 1.81 0.00 0.04 0.00 0.00 177.00 178.84 2a3b h ALA 289 N 3.14 1.59 0.00 8.56 0.00 -1.89 -1.78 119.26 128.87 2a3b h ALA 289 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2a3b h ALA 289 Cb 1.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2a3b h ALA 289 CO 0.64 0.10 0.00 0.27 0.00 0.00 0.00 179.25 180.27 2a3b n ASN 290 N -4.69 0.00 -0.48 0.00 2.04 -1.12 -1.40 115.26 109.62 2a3b n ASN 290 Ca 0.21 -0.64 0.05 0.00 -0.44 0.00 0.00 54.58 53.76 2a3b n ASN 290 Cb 0.46 0.00 0.07 0.00 -2.53 0.00 0.00 39.78 37.78 2a3b n ASN 290 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2a3b n LYS 291 N -0.86 1.13 -3.71 -3.83 5.02 -0.67 -3.88 118.16 111.37 2a3b n LYS 291 Ca 0.09 -1.38 -0.38 0.00 -2.02 0.00 0.00 58.31 54.62 2a3b n LYS 291 Cb 0.04 -1.22 -0.12 0.00 -0.02 0.00 0.00 35.03 33.71 2a3b n LYS 291 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2a3b s ILE 292 N -0.92 4.22 -0.13 -0.18 1.01 -0.49 -0.06 121.20 124.65 2a3b s ILE 292 Ca 0.15 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 2a3b s ILE 292 Cb 0.10 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2a3b s ILE 292 CO 0.14 0.03 0.42 -0.69 0.00 0.00 0.00 174.94 174.85 2a3b s VAL 293 N 1.54 5.22 -0.47 2.92 1.01 0.58 0.03 120.40 131.22 2a3b s VAL 293 Ca 0.03 0.84 -0.27 0.00 0.00 0.00 0.00 61.98 62.57 2a3b s VAL 293 Cb -0.17 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.47 2a3b s VAL 293 CO 0.04 0.34 1.05 -0.22 0.00 0.00 0.00 175.10 176.30 2a3b s LEU 294 N 0.62 3.80 0.37 3.92 2.96 0.31 -1.31 118.68 129.35 2a3b s LEU 294 Ca 0.23 0.30 -0.26 0.00 -0.22 0.00 0.00 54.13 54.18 2a3b s LEU 294 Cb -0.14 -3.38 -0.09 0.00 0.50 0.00 0.00 46.19 43.07 2a3b s LEU 294 CO 0.08 -1.17 1.09 -0.83 -1.32 0.00 0.00 176.35 174.20 2a3b s GLY 295 N 2.39 2.85 0.01 7.98 0.00 -0.14 -1.14 107.32 119.28 2a3b s GLY 295 Ca 0.43 0.81 -0.02 0.00 0.00 0.00 0.00 44.72 45.94 2a3b s GLY 295 CO 0.29 1.31 0.02 1.06 0.00 0.00 0.00 173.10 175.79 2a3b s MET 296 N -2.18 0.31 0.14 2.90 -1.94 0.84 -3.91 119.30 115.45 2a3b s MET 296 Ca 0.54 -0.44 -0.23 0.00 -1.71 0.00 0.00 55.69 53.86 2a3b s MET 296 Cb -0.27 0.12 -0.08 0.00 2.01 0.00 0.00 34.83 36.62 2a3b s MET 296 CO 0.34 -0.06 0.69 -1.25 -0.01 0.00 0.00 175.02 174.73 2a3b s PRO 297 N -1.17 4.41 -0.47 2.03 0.04 -1.26 -2.92 135.00 135.64 2a3b s PRO 297 Ca -0.13 0.98 0.03 0.00 0.04 0.00 0.00 61.00 61.92 2a3b s PRO 297 Cb -0.08 -3.22 0.45 0.00 0.04 0.00 0.00 34.50 31.70 2a3b s PRO 297 CO -0.00 0.58 1.60 1.28 0.04 0.00 0.00 177.00 180.50 2a3b n LEU 298 N 1.57 6.26 -3.69 -3.56 4.77 -0.57 -4.61 117.00 117.17 2a3b n LEU 298 Ca -0.07 -4.53 -0.08 0.00 -0.03 0.00 0.00 56.01 51.30 2a3b n LEU 298 Cb 0.50 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2a3b n LEU 298 CO 0.44 1.81 0.53 -0.72 -1.33 0.00 0.00 177.39 178.12 2a3b s TYR 299 N -3.71 -0.28 0.21 -1.77 1.13 -1.26 -1.61 117.35 110.05 2a3b s TYR 299 Ca 0.58 -0.04 0.12 0.00 -1.41 0.00 0.00 57.07 56.31 2a3b s TYR 299 Cb 0.46 0.64 -0.05 0.00 -1.10 0.00 0.00 41.96 41.91 2a3b s TYR 299 CO 0.01 -0.97 -0.23 0.20 -2.51 0.00 0.00 175.55 172.05 2a3b s GLY 300 N -2.83 1.74 -0.16 5.49 0.00 0.89 -4.57 107.32 107.88 2a3b s GLY 300 Ca 0.08 -1.68 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 2a3b s GLY 300 CO -0.01 -1.72 -0.12 0.50 0.00 0.00 0.00 173.10 171.76 2a3b s ARG 301 N -2.80 3.32 0.25 2.90 1.81 -0.41 -1.03 118.95 122.98 2a3b s ARG 301 Ca 0.22 -0.69 0.06 0.00 -1.72 0.00 0.00 55.73 53.60 2a3b s ARG 301 Cb -0.07 -2.73 -0.03 0.00 -0.45 0.00 0.00 34.95 31.66 2a3b s ARG 301 CO 0.11 0.03 0.24 -1.54 -0.68 0.00 0.00 175.30 173.46 2a3b s SER 302 N 0.82 5.74 -0.03 0.23 1.04 -0.47 -0.64 113.70 120.39 2a3b s SER 302 Ca -0.04 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2a3b s SER 302 Cb -0.15 -1.53 0.03 0.00 0.10 0.00 0.00 66.02 64.47 2a3b s SER 302 CO 0.01 -0.05 0.01 -0.36 0.98 0.00 0.00 173.24 173.83 2a3b s PHE 303 N -2.09 0.30 0.18 5.02 0.40 0.71 -4.63 117.98 117.87 2a3b s PHE 303 Ca 0.33 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.68 2a3b s PHE 303 Cb -0.08 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.97 2a3b s PHE 303 CO 0.26 -0.15 0.36 0.00 0.70 0.00 0.00 175.22 176.39 2a3b s ALA 304 N 1.20 3.86 -1.29 5.36 0.00 -0.03 -1.45 121.76 129.42 2a3b s ALA 304 Ca -0.07 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2a3b s ALA 304 Cb -0.13 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 2a3b s ALA 304 CO -0.02 0.48 0.64 0.09 0.00 0.00 0.00 175.76 176.94 2a3b n ASN 305 N -0.58 -2.11 -4.16 0.00 3.02 -0.80 -0.85 115.26 109.77 2a3b n ASN 305 Ca -0.05 -0.92 -0.22 0.00 -0.03 0.00 0.00 54.58 53.35 2a3b n ASN 305 Cb 0.54 -3.61 -0.14 0.00 -0.61 0.00 0.00 39.78 35.95 2a3b n ASN 305 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2a3b s THR 306 N -3.70 1.24 0.01 3.41 -1.32 -0.73 -3.98 115.64 110.56 2a3b s THR 306 Ca 0.14 -0.93 0.25 0.00 -1.21 0.00 0.00 61.69 59.94 2a3b s THR 306 Cb -0.04 -1.09 0.27 0.00 -1.51 0.00 0.00 72.50 70.13 2a3b s THR 306 CO 0.85 0.14 1.79 0.44 -2.21 0.00 0.00 174.62 175.63 2a3b h ASP 307 N 5.17 0.00 0.00 8.08 3.32 -1.87 -3.43 116.42 127.69 2a3b h ASP 307 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2a3b h ASP 307 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2a3b h ASP 307 CO 0.45 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 2a3b n GLY 308 N 0.38 -1.36 3.76 2.75 0.00 -1.26 -5.09 105.19 104.36 2a3b n GLY 308 Ca 0.01 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 2a3b n GLY 308 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a3b s PRO 309 N -1.71 4.20 -0.64 1.61 0.02 -1.26 -3.00 135.00 134.22 2a3b s PRO 309 Ca 0.00 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2a3b s PRO 309 Cb 0.00 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2a3b s PRO 309 CO 0.00 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2a3b n GLY 310 N 1.75 0.25 3.41 0.52 0.00 0.36 -4.72 105.19 106.76 2a3b n GLY 310 Ca 0.06 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 2a3b n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a3b s LYS 311 N -4.00 1.52 0.64 1.61 -0.14 -1.16 -4.67 119.74 113.54 2a3b s LYS 311 Ca 0.00 -1.77 -0.18 0.00 -1.36 0.00 0.00 55.97 52.66 2a3b s LYS 311 Cb 0.00 -1.08 -0.01 0.00 -1.68 0.00 0.00 37.83 35.06 2a3b s LYS 311 CO 0.00 0.02 1.26 -2.14 -0.76 0.00 0.00 175.35 173.72 2a3b s PRO 312 N -3.75 2.62 0.27 -1.68 0.02 -1.26 -0.77 135.00 130.45 2a3b s PRO 312 Ca 0.29 1.95 -0.02 0.00 0.02 0.00 0.00 61.00 63.24 2a3b s PRO 312 Cb 0.04 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.67 2a3b s PRO 312 CO 0.11 -1.51 0.30 1.52 -0.33 0.00 0.00 177.00 177.09 2a3b s TYR 313 N -1.54 1.12 -0.28 6.54 1.13 -1.26 -4.19 117.35 118.86 2a3b s TYR 313 Ca 0.80 -1.30 -0.02 0.00 -1.41 0.00 0.00 57.07 55.14 2a3b s TYR 313 Cb -0.34 -0.35 0.12 0.00 -1.10 0.00 0.00 41.96 40.29 2a3b s TYR 313 CO 0.38 -0.86 0.24 1.21 -2.51 0.00 0.00 175.55 174.01 2a3b s ASN 314 N -3.19 2.28 0.00 -0.18 2.47 -0.03 -5.00 114.94 111.28 2a3b s ASN 314 Ca 0.34 -0.90 0.00 0.00 0.42 0.00 0.00 52.86 52.72 2a3b s ASN 314 Cb 0.03 0.21 0.00 0.00 -1.45 0.00 0.00 41.25 40.04 2a3b s ASN 314 CO 0.17 -0.40 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 2a3b n GLY 315 N 5.29 -1.24 0.10 1.21 0.00 -1.26 -4.42 105.19 104.87 2a3b n GLY 315 Ca -0.04 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.39 2a3b n GLY 315 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a3b n VAL 316 N -1.25 0.32 -4.28 1.61 0.24 -1.26 -0.85 118.33 112.87 2a3b n VAL 316 Ca 0.00 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2a3b n VAL 316 Cb 0.00 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 2a3b n VAL 316 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a3b n GLY 317 N -0.02 -1.27 0.00 7.63 0.00 -1.26 -3.88 105.19 106.39 2a3b n GLY 317 Ca 0.02 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2a3b n GLY 317 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a3b n GLN 318 N -0.26 1.42 -3.83 1.61 1.13 -1.26 -3.16 117.38 113.03 2a3b n GLN 318 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2a3b n GLN 318 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 2a3b n GLN 318 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2a3b s GLY 319 N -1.02 -0.04 0.05 1.08 0.00 -1.25 -0.85 107.32 105.29 2a3b s GLY 319 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.38 2a3b s GLY 319 CO 0.00 1.77 1.56 1.76 0.00 0.00 0.00 173.10 178.20 2a3b h SER 320 N 2.00 -0.02 0.00 1.64 0.02 -1.28 -3.40 113.55 112.51 2a3b h SER 320 Ca -0.27 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2a3b h SER 320 Cb 1.22 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2a3b h SER 320 CO 0.32 0.16 -0.56 0.79 -1.14 0.00 0.00 176.83 176.40 2a3b n TRP 321 N -5.02 0.00 -3.78 3.45 7.02 -1.26 -5.04 117.44 112.81 2a3b n TRP 321 Ca -0.08 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.28 2a3b n TRP 321 Cb 0.12 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.92 2a3b n TRP 321 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2a3b s GLU 322 N -1.16 0.65 0.34 -0.99 -1.05 -1.26 -5.13 118.70 110.09 2a3b s GLU 322 Ca 0.00 -0.26 -0.29 0.00 -0.15 0.00 0.00 54.97 54.27 2a3b s GLU 322 Cb 0.00 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 33.86 2a3b s GLU 322 CO 0.00 -0.18 1.49 -0.80 0.95 0.00 0.00 175.26 176.73 2a3b s ASN 323 N -1.40 6.41 0.00 0.83 0.02 -1.26 -2.84 114.94 116.70 2a3b s ASN 323 Ca -0.13 2.96 0.00 0.00 -1.02 0.00 0.00 52.86 54.67 2a3b s ASN 323 Cb -0.05 -2.65 0.00 0.00 0.02 0.00 0.00 41.25 38.56 2a3b s ASN 323 CO 0.03 -0.84 0.00 0.61 0.02 0.00 0.00 177.10 176.92 2a3b n GLY 324 N 1.05 1.47 3.05 0.66 0.00 -0.03 -4.85 105.19 106.54 2a3b n GLY 324 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 2a3b n GLY 324 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3b s VAL 325 N -3.34 1.27 -0.04 1.61 1.01 -1.13 -1.36 120.40 118.41 2a3b s VAL 325 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2a3b s VAL 325 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2a3b s VAL 325 CO 0.00 0.39 -0.20 0.26 0.00 0.00 0.00 175.10 175.55 2a3b s TRP 326 N 0.67 1.92 0.38 5.22 0.52 -0.20 -0.70 118.94 126.76 2a3b s TRP 326 Ca -0.14 -0.54 -0.28 0.00 0.02 0.00 0.00 56.10 55.16 2a3b s TRP 326 Cb -0.16 -1.28 -0.10 0.00 -1.15 0.00 0.00 33.47 30.78 2a3b s TRP 326 CO 0.04 -0.17 1.45 -0.51 0.02 0.00 0.00 176.95 177.78 2a3b s ASP 327 N -0.07 6.32 0.44 2.95 1.01 -1.26 -0.07 116.67 125.98 2a3b s ASP 327 Ca -0.02 2.97 0.10 0.00 0.71 0.00 0.00 52.55 56.31 2a3b s ASP 327 Cb -0.12 -2.66 0.98 0.00 1.01 0.00 0.00 42.92 42.14 2a3b s ASP 327 CO 0.02 -0.88 2.07 0.22 0.21 0.00 0.00 175.17 176.82 2a3b h TYR 328 N 2.93 0.38 0.00 4.23 3.20 -0.96 -0.35 116.97 126.39 2a3b h TYR 328 Ca -0.51 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2a3b h TYR 328 Cb 1.24 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2a3b h TYR 328 CO 0.53 0.23 0.00 1.57 -1.64 0.00 0.00 178.16 178.85 2a3b h LYS 329 N 0.40 0.00 -0.11 1.82 2.10 -1.33 -0.57 116.57 118.88 2a3b h LYS 329 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2a3b h LYS 329 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2a3b h LYS 329 CO -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.42 2a3b n ALA 330 N -1.79 2.48 -2.55 0.07 0.00 -0.14 -4.92 120.51 113.65 2a3b n ALA 330 Ca -0.01 -0.68 -0.32 0.00 0.00 0.00 0.00 53.44 52.44 2a3b n ALA 330 Cb 0.08 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 2a3b n ALA 330 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a3b s LEU 331 N -1.85 3.00 0.56 0.00 1.43 -0.22 -3.74 118.68 117.85 2a3b s LEU 331 Ca 0.33 -0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 2a3b s LEU 331 Cb 0.21 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 2a3b s LEU 331 CO 0.31 0.27 1.01 -2.16 0.23 0.00 0.00 176.35 176.01 2a3b s PRO 332 N -1.47 3.72 0.59 1.29 0.04 -1.26 -5.01 135.00 132.90 2a3b s PRO 332 Ca 0.17 0.97 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 2a3b s PRO 332 Cb -0.11 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 2a3b s PRO 332 CO 0.07 -0.46 1.02 -0.65 0.04 0.00 0.00 177.00 177.02 2a3b s GLN 333 N -4.30 3.65 0.32 4.56 -0.21 -1.25 -4.98 119.66 117.46 2a3b s GLN 333 Ca 0.59 0.85 -0.29 0.00 0.02 0.00 0.00 55.36 56.54 2a3b s GLN 333 Cb -0.11 -2.09 -0.12 0.00 1.00 0.00 0.00 33.01 31.68 2a3b s GLN 333 CO 0.37 -0.52 1.33 0.00 -2.12 0.00 0.00 175.29 174.35 2a3b n ALA 334 N -2.36 1.35 0.00 6.09 0.00 -1.26 -2.03 120.51 122.30 2a3b n ALA 334 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2a3b n ALA 334 Cb 0.54 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2a3b n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3b n GLY 335 N 1.06 2.55 3.93 0.00 0.00 -1.26 -5.04 105.19 106.43 2a3b n GLY 335 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2a3b n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3b s ALA 336 N -2.24 3.82 -0.07 4.61 0.00 -0.86 -4.67 121.76 122.35 2a3b s ALA 336 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2a3b s ALA 336 Cb 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 2a3b s ALA 336 CO 0.00 0.37 -0.20 0.99 0.00 0.00 0.00 175.76 176.92 2a3b s THR 337 N -1.92 2.48 0.32 0.00 2.01 -0.14 -4.88 115.64 113.51 2a3b s THR 337 Ca 0.38 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 61.26 2a3b s THR 337 Cb -0.11 -1.95 -0.10 0.00 0.01 0.00 0.00 72.50 70.36 2a3b s THR 337 CO 0.30 0.57 0.86 -1.61 -0.69 0.00 0.00 174.62 174.04 2a3b s GLU 338 N -0.19 4.33 -0.02 4.92 2.02 -1.26 -0.82 118.70 127.67 2a3b s GLU 338 Ca -0.02 1.06 0.02 0.00 0.02 0.00 0.00 54.97 56.06 2a3b s GLU 338 Cb -0.13 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.48 2a3b s GLU 338 CO 0.03 0.22 -0.08 -1.01 0.02 0.00 0.00 175.26 174.44 2a3b s HIS 339 N -1.78 0.84 -0.08 1.61 3.76 0.95 -4.96 115.29 115.63 2a3b s HIS 339 Ca 0.52 -0.20 0.05 0.00 -0.15 0.00 0.00 55.06 55.27 2a3b s HIS 339 Cb -0.15 -0.61 -0.00 0.00 1.11 0.00 0.00 32.58 32.93 2a3b s HIS 339 CO 0.20 -0.09 -0.23 0.08 -0.85 0.00 0.00 174.74 173.84 2a3b s VAL 340 N 0.23 1.97 -0.68 -0.90 1.01 -1.26 -0.99 120.40 119.79 2a3b s VAL 340 Ca -0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 2a3b s VAL 340 Cb -0.08 -1.69 0.17 0.00 0.00 0.00 0.00 36.38 34.77 2a3b s VAL 340 CO 0.00 0.54 0.49 -0.76 0.00 0.00 0.00 175.10 175.37 2a3b s LEU 341 N 0.15 5.06 0.52 3.92 1.43 0.47 -4.97 118.68 125.26 2a3b s LEU 341 Ca -0.12 -3.23 0.19 0.00 -1.03 0.00 0.00 54.13 49.93 2a3b s LEU 341 Cb -0.16 -1.79 1.29 0.00 0.03 0.00 0.00 46.19 45.56 2a3b s LEU 341 CO 0.06 -0.26 2.10 1.55 0.23 0.00 0.00 176.35 180.03 2a3b h PRO 342 N 6.45 0.02 -0.55 1.29 0.13 -1.97 -1.60 132.00 135.78 2a3b h PRO 342 Ca 0.03 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.20 2a3b h PRO 342 Cb 0.88 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.97 2a3b h PRO 342 CO 0.74 0.02 0.36 -0.44 -0.23 0.00 0.00 178.00 178.44 2a3b h ASP 343 N 0.02 0.54 -0.16 1.44 3.32 -1.94 -2.66 116.42 116.98 2a3b h ASP 343 Ca 0.09 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2a3b h ASP 343 Cb 0.32 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2a3b h ASP 343 CO -0.00 0.37 0.00 2.30 -1.72 0.00 0.00 179.24 180.19 2a3b n ILE 344 N -4.47 0.51 -3.52 0.35 -5.35 -0.93 -4.68 119.36 101.28 2a3b n ILE 344 Ca 0.06 -0.75 -0.21 0.00 -0.27 0.00 0.00 62.75 61.58 2a3b n ILE 344 Cb 0.14 0.84 0.06 0.00 -1.74 0.00 0.00 39.64 38.94 2a3b n ILE 344 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2a3b n MET 345 N 0.44 -3.72 -4.04 6.28 2.81 -0.65 -0.87 117.12 117.37 2a3b n MET 345 Ca 0.08 0.70 -0.08 0.00 -1.81 0.00 0.00 57.70 56.58 2a3b n MET 345 Cb 0.32 -5.28 -0.11 0.00 -0.71 0.00 0.00 33.22 27.44 2a3b n MET 345 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a3b s ALA 346 N -3.50 0.37 0.06 3.04 0.00 -1.05 -4.20 121.76 116.48 2a3b s ALA 346 Ca 0.22 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2a3b s ALA 346 Cb -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2a3b s ALA 346 CO 0.79 -0.25 -0.03 -1.54 0.00 0.00 0.00 175.76 174.73 2a3b s SER 347 N -2.20 0.54 0.15 0.00 1.04 -1.26 -0.39 113.70 111.59 2a3b s SER 347 Ca -0.04 -1.01 -0.23 0.00 0.48 0.00 0.00 55.95 55.14 2a3b s SER 347 Cb -0.01 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.37 2a3b s SER 347 CO -0.05 -0.59 0.65 -0.72 0.98 0.00 0.00 173.24 173.50 2a3b s TYR 348 N -3.90 -0.48 0.09 5.02 1.13 -0.16 -3.46 117.35 115.59 2a3b s TYR 348 Ca 0.08 0.25 0.05 0.00 -1.41 0.00 0.00 57.07 56.05 2a3b s TYR 348 Cb 0.08 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.47 2a3b s TYR 348 CO -0.09 -0.85 -0.02 -1.54 -2.51 0.00 0.00 175.55 170.54 2a3b s SER 349 N -2.74 4.88 -0.04 -0.18 1.04 -0.28 -0.03 113.70 116.35 2a3b s SER 349 Ca 0.03 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.21 2a3b s SER 349 Cb -0.01 -1.12 0.02 0.00 0.10 0.00 0.00 66.02 65.01 2a3b s SER 349 CO -0.10 0.18 0.09 -0.47 0.98 0.00 0.00 173.24 173.91 2a3b s TYR 350 N -1.28 -0.09 -0.33 5.02 5.04 -0.00 -1.73 117.35 123.97 2a3b s TYR 350 Ca 0.25 0.27 0.03 0.00 -2.44 0.00 0.00 57.07 55.18 2a3b s TYR 350 Cb -0.12 -0.05 0.09 0.00 0.35 0.00 0.00 41.96 42.24 2a3b s TYR 350 CO 0.17 -0.09 0.03 0.34 -1.34 0.00 0.00 175.55 174.67 2a3b s ASP 351 N 0.55 4.76 0.57 4.32 -1.08 -0.74 -0.97 116.67 124.09 2a3b s ASP 351 Ca -0.04 -1.98 0.35 0.00 -0.52 0.00 0.00 52.55 50.35 2a3b s ASP 351 Cb -0.06 -1.64 1.62 0.00 -1.46 0.00 0.00 42.92 41.39 2a3b s ASP 351 CO -0.02 -0.36 2.09 0.00 0.52 0.00 0.00 175.17 177.40 2a3b h ALA 352 N 7.69 1.05 0.00 3.66 0.00 -1.88 0.31 119.26 130.09 2a3b h ALA 352 Ca -0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2a3b h ALA 352 Cb 1.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2a3b h ALA 352 CO 0.53 0.05 -0.34 1.79 0.00 0.00 0.00 179.25 181.27 2a3b h THR 353 N 0.00 1.05 0.00 0.00 1.35 -1.94 -3.25 112.91 110.12 2a3b h THR 353 Ca -0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 2a3b h THR 353 Cb 0.37 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2a3b h THR 353 CO 0.00 0.34 0.00 -0.46 -0.25 0.00 0.00 175.52 175.15 2a3b n ASN 354 N -3.84 0.90 -3.66 5.36 6.94 -1.09 -5.02 115.26 114.84 2a3b n ASN 354 Ca -0.01 -1.31 -0.24 0.00 -0.02 0.00 0.00 54.58 53.00 2a3b n ASN 354 Cb 0.42 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.90 2a3b n ASN 354 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2a3b n LYS 355 N -0.15 -6.71 -3.82 -3.83 5.02 0.10 -4.19 118.16 104.58 2a3b n LYS 355 Ca 0.00 0.75 -0.36 0.00 -2.02 0.00 0.00 58.31 56.68 2a3b n LYS 355 Cb 0.23 -5.69 -0.11 0.00 -0.02 0.00 0.00 35.03 29.44 2a3b n LYS 355 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2a3b s PHE 356 N -3.37 3.18 -0.07 2.13 5.36 -1.00 -1.78 117.98 122.43 2a3b s PHE 356 Ca 0.41 -0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.31 2a3b s PHE 356 Cb -0.19 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.27 2a3b s PHE 356 CO 0.77 -0.12 -0.20 -1.17 -1.46 0.00 0.00 175.22 173.04 2a3b s LEU 357 N 1.15 2.38 -0.08 6.12 0.20 -0.53 -1.79 118.68 126.14 2a3b s LEU 357 Ca 0.05 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.50 2a3b s LEU 357 Cb -0.14 -1.47 0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2a3b s LEU 357 CO 0.04 0.27 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.64 2a3b s ILE 358 N -0.27 1.02 -0.37 6.68 1.01 -0.71 -0.21 121.20 128.35 2a3b s ILE 358 Ca 0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 2a3b s ILE 358 Cb -0.13 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2a3b s ILE 358 CO 0.03 0.34 0.33 -0.55 0.00 0.00 0.00 174.94 175.09 2a3b s SER 359 N 0.99 6.14 0.16 3.58 0.15 0.19 -1.12 113.70 123.78 2a3b s SER 359 Ca -0.09 -0.52 -0.17 0.00 0.70 0.00 0.00 55.95 55.87 2a3b s SER 359 Cb -0.15 -2.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 2a3b s SER 359 CO -0.00 -0.39 0.47 -0.72 1.20 0.00 0.00 173.24 173.80 2a3b s TYR 360 N 1.89 -0.15 -0.07 3.44 1.13 -1.22 -1.28 117.35 121.08 2a3b s TYR 360 Ca 0.09 -0.17 -0.16 0.00 -1.41 0.00 0.00 57.07 55.42 2a3b s TYR 360 Cb -0.17 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 40.96 2a3b s TYR 360 CO 0.11 -0.81 0.42 -0.51 -2.51 0.00 0.00 175.55 172.25 2a3b s ASP 361 N -2.84 6.70 0.59 -0.18 1.01 -1.26 -4.08 116.67 116.60 2a3b s ASP 361 Ca 0.07 0.83 0.09 0.00 0.71 0.00 0.00 52.55 54.25 2a3b s ASP 361 Cb 0.00 -2.26 0.09 0.00 1.01 0.00 0.00 42.92 41.77 2a3b s ASP 361 CO -0.07 0.15 0.73 -0.46 0.21 0.00 0.00 175.17 175.74 2a3b n ASN 362 N 2.87 2.31 -0.28 0.27 0.23 -1.26 -4.92 115.26 114.48 2a3b n ASN 362 Ca -0.11 -2.66 0.07 0.00 -0.53 0.00 0.00 54.58 51.36 2a3b n ASN 362 Cb 0.52 -0.35 0.30 0.00 -2.08 0.00 0.00 39.78 38.17 2a3b n ASN 362 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2a3b h PRO 363 N 0.00 0.85 -0.71 -0.53 0.11 -1.98 -1.53 132.00 128.20 2a3b h PRO 363 Ca -0.30 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 2a3b h PRO 363 Cb 1.29 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2a3b h PRO 363 CO 0.43 0.56 0.38 0.37 -0.21 0.00 0.00 178.00 179.54 2a3b h GLN 364 N 0.87 0.99 -0.38 1.05 4.15 -2.00 -1.60 115.11 118.20 2a3b h GLN 364 Ca 0.41 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.61 2a3b h GLN 364 Cb 0.40 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2a3b h GLN 364 CO -0.17 0.75 -0.17 0.28 -1.93 0.00 0.00 178.83 177.58 2a3b h VAL 365 N 0.98 1.26 -0.89 2.39 2.07 -1.75 -1.92 116.25 118.39 2a3b h VAL 365 Ca 0.25 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 2a3b h VAL 365 Cb 0.05 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2a3b h VAL 365 CO -0.04 0.41 0.48 0.00 0.02 0.00 0.00 177.57 178.45 2a3b h ALA 366 N 1.18 1.18 -0.48 1.67 0.00 -0.84 0.11 119.26 122.07 2a3b h ALA 366 Ca 0.10 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2a3b h ALA 366 Cb 0.64 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2a3b h ALA 366 CO 0.05 0.66 0.07 -0.91 0.00 0.00 0.00 179.25 179.12 2a3b h ASN 367 N 1.25 0.76 -0.46 0.00 2.35 -0.99 -1.12 115.58 117.38 2a3b h ASN 367 Ca 0.31 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2a3b h ASN 367 Cb 0.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2a3b h ASN 367 CO -0.05 0.83 0.22 -0.07 -1.65 0.00 0.00 177.43 176.71 2a3b h LEU 368 N 0.66 0.60 -1.52 1.61 3.38 -0.77 -1.38 115.31 117.88 2a3b h LEU 368 Ca 0.14 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2a3b h LEU 368 Cb 0.40 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2a3b h LEU 368 CO 0.01 0.56 -0.25 0.11 0.09 0.00 0.00 178.44 178.96 2a3b h LYS 369 N 0.60 0.00 -0.41 1.13 1.57 -0.70 -1.22 116.57 117.54 2a3b h LYS 369 Ca 0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2a3b h LYS 369 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2a3b h LYS 369 CO -0.02 0.25 -0.10 0.77 -0.57 0.00 0.00 179.45 179.78 2a3b h SER 370 N 0.00 0.79 -0.45 0.86 0.02 -0.47 -0.06 113.55 114.23 2a3b h SER 370 Ca -0.00 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 2a3b h SER 370 Cb 0.48 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2a3b h SER 370 CO 0.03 0.97 0.20 1.23 -1.14 0.00 0.00 176.83 178.12 2a3b h GLY 371 N 0.60 0.77 0.86 -3.77 0.00 -0.66 -1.57 103.07 99.29 2a3b h GLY 371 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2a3b h GLY 371 CO 0.04 0.36 0.04 -1.82 0.00 0.00 0.00 176.54 175.16 2a3b h TYR 372 N 0.71 0.14 -0.55 5.60 3.20 -0.79 0.18 116.97 125.46 2a3b h TYR 372 Ca 0.17 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.09 2a3b h TYR 372 Cb 0.15 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 2a3b h TYR 372 CO 0.01 0.25 0.26 0.82 -1.64 0.00 0.00 178.16 177.86 2a3b h ILE 373 N -0.01 0.90 -0.45 1.81 2.04 -0.71 -0.40 117.51 120.69 2a3b h ILE 373 Ca 0.03 -0.17 -0.14 0.00 1.00 0.00 0.00 64.86 65.58 2a3b h ILE 373 Cb 0.17 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2a3b h ILE 373 CO -0.00 0.09 -0.28 0.11 0.00 0.00 0.00 178.15 178.06 2a3b h LYS 374 N 0.49 0.98 -0.08 2.37 1.57 -1.08 -0.56 116.57 120.26 2a3b h LYS 374 Ca 0.25 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2a3b h LYS 374 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2a3b h LYS 374 CO -0.20 1.13 0.05 1.03 -0.57 0.00 0.00 179.45 180.88 2a3b h SER 375 N 0.83 0.10 0.48 0.86 0.87 -0.19 -2.82 113.55 113.68 2a3b h SER 375 Ca 0.09 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2a3b h SER 375 Cb 0.87 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2a3b h SER 375 CO 0.08 0.15 -0.12 0.18 -0.53 0.00 0.00 176.83 176.59 2a3b n LEU 376 N -4.99 0.36 -2.44 2.23 4.32 -0.20 -4.94 117.00 111.34 2a3b n LEU 376 Ca -0.06 0.10 -0.15 0.00 -0.02 0.00 0.00 56.01 55.88 2a3b n LEU 376 Cb 0.07 -0.24 0.05 0.00 -1.62 0.00 0.00 43.42 41.67 2a3b n LEU 376 CO 0.34 0.07 0.14 0.61 -1.22 0.00 0.00 177.39 177.33 2a3b n GLY 377 N 1.33 -0.02 3.71 -0.72 0.00 -0.36 -4.83 105.19 104.30 2a3b n GLY 377 Ca 0.13 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2a3b n GLY 377 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3b s LEU 378 N -4.99 2.01 0.00 0.99 1.43 -0.38 -2.77 118.68 114.97 2a3b s LEU 378 Ca 0.36 1.36 0.22 0.00 -1.03 0.00 0.00 54.13 55.04 2a3b s LEU 378 Cb -0.16 -3.69 1.17 0.00 0.03 0.00 0.00 46.19 43.54 2a3b s LEU 378 CO 0.45 -2.81 1.72 0.61 0.23 0.00 0.00 176.35 176.54 2a3b n GLY 379 N -1.15 -0.94 0.00 -3.19 0.00 0.10 -4.69 105.19 95.31 2a3b n GLY 379 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2a3b n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 380 N 0.55 0.74 3.30 -0.02 0.00 -1.26 -0.94 105.19 107.57 2a3b n GLY 380 Ca 0.12 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 2a3b n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3b s ALA 381 N -1.32 1.92 0.05 4.61 0.00 -0.47 -0.53 121.76 126.02 2a3b s ALA 381 Ca 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.75 2a3b s ALA 381 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2a3b s ALA 381 CO 0.00 0.41 -0.10 1.41 0.00 0.00 0.00 175.76 177.48 2a3b s MET 382 N -1.74 0.65 0.01 0.00 0.00 -0.29 -0.92 119.30 117.02 2a3b s MET 382 Ca 0.08 -0.80 0.02 0.00 0.00 0.00 0.00 55.69 54.99 2a3b s MET 382 Cb -0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 34.83 34.19 2a3b s MET 382 CO 0.04 0.11 -0.06 -1.58 0.00 0.00 0.00 175.02 173.53 2a3b s TRP 383 N -1.25 0.57 -0.21 4.11 0.51 0.23 -0.11 118.94 122.78 2a3b s TRP 383 Ca -0.06 -0.21 -0.01 0.00 -2.12 0.00 0.00 56.10 53.70 2a3b s TRP 383 Cb -0.09 -0.35 0.01 0.00 -0.81 0.00 0.00 33.47 32.23 2a3b s TRP 383 CO 0.01 -0.03 -0.11 -0.46 -0.51 0.00 0.00 176.95 175.85 2a3b s TRP 384 N -0.50 2.92 0.20 -1.98 -0.11 -1.15 -1.75 118.94 116.57 2a3b s TRP 384 Ca -0.01 -1.43 0.00 0.00 1.22 0.00 0.00 56.10 55.88 2a3b s TRP 384 Cb -0.04 -2.01 -0.04 0.00 -1.50 0.00 0.00 33.47 29.87 2a3b s TRP 384 CO 0.00 -0.71 0.09 0.16 -4.62 0.00 0.00 176.95 171.87 2a3b s ASP 385 N 1.35 0.68 0.60 5.86 1.47 -1.26 -1.51 116.67 123.86 2a3b s ASP 385 Ca 0.04 -1.32 0.31 0.00 1.18 0.00 0.00 52.55 52.75 2a3b s ASP 385 Cb -0.14 0.25 1.79 0.00 -0.34 0.00 0.00 42.92 44.48 2a3b s ASP 385 CO -0.08 -0.74 2.16 0.77 0.68 0.00 0.00 175.17 177.96 2a3b h SER 386 N 2.60 0.00 1.21 2.11 4.64 -1.18 -3.07 113.55 119.86 2a3b h SER 386 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2a3b h SER 386 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2a3b h SER 386 CO 0.58 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 2a3b n SER 387 N -3.67 0.68 -0.73 4.97 3.41 -1.26 -4.17 113.62 112.85 2a3b n SER 387 Ca -0.00 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 2a3b n SER 387 Cb 0.24 -0.76 0.19 0.00 -0.26 0.00 0.00 64.21 63.62 2a3b n SER 387 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2a3b n SER 388 N -2.16 3.27 -4.90 4.04 3.41 -1.16 -5.01 113.62 111.10 2a3b n SER 388 Ca 0.05 -2.36 -0.28 0.00 -0.26 0.00 0.00 58.87 56.01 2a3b n SER 388 Cb 0.36 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 2a3b n SER 388 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2a3b s ASP 389 N -1.32 6.14 0.77 4.04 2.15 -1.26 -1.08 116.67 126.11 2a3b s ASP 389 Ca 0.30 1.05 -0.11 0.00 0.43 0.00 0.00 52.55 54.21 2a3b s ASP 389 Cb 0.20 -2.23 0.06 0.00 -0.30 0.00 0.00 42.92 40.65 2a3b s ASP 389 CO 0.13 -0.75 1.14 -0.54 -0.17 0.00 0.00 175.17 174.99 2a3b s LYS 390 N -4.92 2.21 0.40 4.34 1.02 -1.26 -4.48 119.74 117.05 2a3b s LYS 390 Ca 0.51 0.17 0.08 0.00 0.02 0.00 0.00 55.97 56.75 2a3b s LYS 390 Cb -0.11 -1.99 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2a3b s LYS 390 CO 0.48 -1.42 0.49 0.95 -0.92 0.00 0.00 175.35 174.93 2a3b s THR 391 N -3.49 3.11 0.00 2.17 -4.23 -1.26 -3.81 115.64 108.12 2a3b s THR 391 Ca 0.61 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2a3b s THR 391 Cb -0.11 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2a3b s THR 391 CO 0.49 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.15 2a3b n GLY 392 N -1.72 1.99 0.00 3.99 0.00 -1.26 -2.59 105.19 105.60 2a3b n GLY 392 Ca 0.05 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.67 2a3b n GLY 392 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a3b n SER 393 N -0.16 0.00 -0.16 1.61 3.41 -1.26 -2.22 113.62 114.84 2a3b n SER 393 Ca 0.00 -0.58 0.12 0.00 -0.26 0.00 0.00 58.87 58.15 2a3b n SER 393 Cb 0.00 -0.07 0.26 0.00 -0.26 0.00 0.00 64.21 64.15 2a3b n SER 393 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2a3b n ASP 394 N -1.07 0.92 -4.73 4.04 8.00 -1.07 -4.82 116.55 117.83 2a3b n ASP 394 Ca 0.16 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.52 2a3b n ASP 394 Cb 0.11 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 2a3b n ASP 394 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2a3b s SER 395 N -2.71 6.50 0.17 -2.24 0.15 -0.94 -4.54 113.70 110.09 2a3b s SER 395 Ca 0.18 2.74 -0.03 0.00 0.70 0.00 0.00 55.95 59.54 2a3b s SER 395 Cb 0.18 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 2a3b s SER 395 CO 0.61 -0.87 1.43 -0.07 1.20 0.00 0.00 173.24 175.55 2a3b h LEU 396 N 6.33 0.58 -0.20 3.45 3.38 -1.91 -1.19 115.31 125.75 2a3b h LEU 396 Ca -0.44 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2a3b h LEU 396 Cb 1.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2a3b h LEU 396 CO 0.90 1.10 0.13 0.40 0.09 0.00 0.00 178.44 181.05 2a3b h ILE 397 N 0.35 1.06 -0.77 1.22 2.04 -1.93 -0.50 117.51 118.97 2a3b h ILE 397 Ca -0.02 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2a3b h ILE 397 Cb 1.27 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 2a3b h ILE 397 CO 0.12 0.06 0.43 0.74 0.00 0.00 0.00 178.15 179.50 2a3b h THR 398 N 0.26 1.23 -0.17 -0.27 2.02 -1.88 -0.15 112.91 113.95 2a3b h THR 398 Ca 0.07 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.70 2a3b h THR 398 Cb -0.02 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 2a3b h THR 398 CO -0.02 0.26 0.06 0.74 0.37 0.00 0.00 175.52 176.93 2a3b h THR 399 N 1.07 0.96 -0.14 3.16 2.02 -0.78 -1.66 112.91 117.54 2a3b h THR 399 Ca 0.27 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 2a3b h THR 399 Cb 0.03 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2a3b h THR 399 CO -0.04 0.03 -0.01 0.58 0.37 0.00 0.00 175.52 176.44 2a3b h VAL 400 N 0.15 1.27 -0.57 3.16 2.07 -0.82 0.07 116.25 121.57 2a3b h VAL 400 Ca 0.07 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.79 2a3b h VAL 400 Cb 0.04 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 2a3b h VAL 400 CO -0.07 0.26 0.20 0.58 0.02 0.00 0.00 177.57 178.55 2a3b h VAL 401 N -0.03 0.77 -0.20 2.57 2.07 -0.96 0.20 116.25 120.67 2a3b h VAL 401 Ca 0.04 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 2a3b h VAL 401 Cb 0.40 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2a3b h VAL 401 CO 0.01 0.07 -0.53 0.78 0.02 0.00 0.00 177.57 177.91 2a3b h ASN 402 N 0.37 0.66 -0.06 0.57 2.35 -1.23 0.01 115.58 118.24 2a3b h ASN 402 Ca 0.29 -0.35 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2a3b h ASN 402 Cb 0.35 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2a3b h ASN 402 CO -0.30 1.07 -0.03 0.00 -1.65 0.00 0.00 177.43 176.52 2a3b h ALA 403 N 0.95 1.63 0.00 -0.83 0.00 -0.14 -1.52 119.26 119.35 2a3b h ALA 403 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2a3b h ALA 403 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2a3b h ALA 403 CO 0.10 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.91 2a3b n LEU 404 N -4.36 0.08 0.00 0.00 4.77 -0.02 -4.86 117.00 112.61 2a3b n LEU 404 Ca -0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2a3b n LEU 404 Cb 0.20 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2a3b n LEU 404 CO 0.37 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2a3b n GLY 405 N 1.14 0.63 0.00 -0.72 0.00 -0.58 -4.92 105.19 100.74 2a3b n GLY 405 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2a3b n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3b n GLY 406 N 0.00 -0.09 0.32 -0.02 0.00 -0.02 -4.43 105.19 100.95 2a3b n GLY 406 Ca 0.00 -1.81 0.22 0.00 0.00 0.00 0.00 46.02 44.43 2a3b n GLY 406 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2a3b h THR 407 N 0.00 0.00 0.00 2.61 1.35 -1.92 -2.12 112.91 112.84 2a3b h THR 407 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2a3b h THR 407 Cb 0.00 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 2a3b h THR 407 CO 0.00 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 176.50 2a3b h GLY 408 N 0.21 0.00 -1.91 5.82 0.00 -1.96 -2.20 103.07 103.02 2a3b h GLY 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a3b h GLY 408 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2a3b n VAL 409 N -3.06 0.53 -2.43 4.60 0.24 -0.79 -4.95 118.33 112.47 2a3b n VAL 409 Ca -0.01 -0.66 -0.36 0.00 -2.04 0.00 0.00 64.34 61.27 2a3b n VAL 409 Cb 0.21 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 2a3b n VAL 409 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2a3b s PHE 410 N -1.47 3.03 0.37 6.34 0.08 -0.83 -1.86 117.98 123.63 2a3b s PHE 410 Ca 0.37 1.59 -0.28 0.00 0.12 0.00 0.00 56.93 58.73 2a3b s PHE 410 Cb 0.21 -3.21 -0.11 0.00 -0.57 0.00 0.00 43.02 39.34 2a3b s PHE 410 CO 0.29 -1.03 1.49 -2.00 -0.10 0.00 0.00 175.22 173.87 2a3b s GLU 411 N -2.79 4.12 -0.22 0.44 2.12 0.37 -4.60 118.70 118.14 2a3b s GLU 411 Ca 0.63 2.56 -0.03 0.00 0.36 0.00 0.00 54.97 58.49 2a3b s GLU 411 Cb -0.23 -2.98 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2a3b s GLU 411 CO 0.28 -0.53 -0.07 -0.65 -0.54 0.00 0.00 175.26 173.75 2a3b s GLN 412 N -1.93 3.19 -0.23 4.30 -1.52 0.96 -4.89 119.66 119.54 2a3b s GLN 412 Ca 0.54 -0.74 -0.05 0.00 -1.95 0.00 0.00 55.36 53.15 2a3b s GLN 412 Cb -0.46 -2.94 0.11 0.00 -0.22 0.00 0.00 33.01 29.50 2a3b s GLN 412 CO 0.61 -0.25 0.43 -1.54 -0.25 0.00 0.00 175.29 174.30 2a3b s SER 413 N 1.42 -0.24 0.31 5.90 1.04 -1.26 0.08 113.70 120.95 2a3b s SER 413 Ca 0.04 0.79 -0.29 0.00 0.48 0.00 0.00 55.95 56.97 2a3b s SER 413 Cb -0.15 1.40 -0.10 0.00 0.10 0.00 0.00 66.02 67.27 2a3b s SER 413 CO -0.05 -0.25 1.31 -1.58 0.98 0.00 0.00 173.24 173.65 2a3b s GLN 414 N 2.63 4.36 0.97 4.02 0.74 -1.26 -4.63 119.66 126.49 2a3b s GLN 414 Ca 0.04 2.20 -0.16 0.00 0.05 0.00 0.00 55.36 57.49 2a3b s GLN 414 Cb -0.13 -3.09 0.19 0.00 1.10 0.00 0.00 33.01 31.08 2a3b s GLN 414 CO -0.15 -0.20 1.27 0.54 -0.55 0.00 0.00 175.29 176.21 2a3b s ASN 415 N -0.37 3.08 -0.19 6.67 2.20 0.09 -5.02 114.94 121.39 2a3b s ASN 415 Ca 0.50 0.41 -0.07 0.00 -0.94 0.00 0.00 52.86 52.76 2a3b s ASN 415 Cb -0.39 -0.57 -0.04 0.00 -2.00 0.00 0.00 41.25 38.25 2a3b s ASN 415 CO 0.51 -2.77 0.06 -0.70 -2.94 0.00 0.00 177.10 171.26 2a3b s GLU 416 N -5.76 3.91 -0.00 3.55 2.56 -1.26 -4.98 118.70 116.72 2a3b s GLU 416 Ca 0.71 -0.37 0.08 0.00 0.00 0.00 0.00 54.97 55.39 2a3b s GLU 416 Cb -0.06 -3.22 -0.10 0.00 2.00 0.00 0.00 34.13 32.76 2a3b s GLU 416 CO 0.53 0.20 0.30 1.28 -0.56 0.00 0.00 175.26 177.01 2a3b n LEU 417 N 3.75 0.29 -4.58 2.70 4.77 -1.26 -4.93 117.00 117.74 2a3b n LEU 417 Ca -0.16 -0.38 -0.39 0.00 -0.03 0.00 0.00 56.01 55.04 2a3b n LEU 417 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2a3b n LEU 417 CO 0.34 0.07 -0.02 -0.62 -1.33 0.00 0.00 177.39 175.83 2a3b s ASP 418 N -2.03 6.15 -0.53 -1.43 -1.08 -1.26 -4.87 116.67 111.63 2a3b s ASP 418 Ca 0.02 -0.00 0.06 0.00 -0.52 0.00 0.00 52.55 52.10 2a3b s ASP 418 Cb 0.06 -2.18 0.21 0.00 -1.46 0.00 0.00 42.92 39.55 2a3b s ASP 418 CO 0.33 -0.20 0.52 -1.22 0.52 0.00 0.00 175.17 175.12 2a3b n TYR 419 N 5.26 1.25 0.33 -5.34 4.02 -1.26 -4.92 117.16 116.50 2a3b n TYR 419 Ca -0.10 -3.80 0.21 0.00 -0.01 0.00 0.00 57.90 54.19 2a3b n TYR 419 Cb 0.51 -0.30 1.15 0.00 -0.02 0.00 0.00 39.34 40.68 2a3b n TYR 419 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2a3b h PRO 420 N 4.80 0.00 -0.15 -0.72 0.13 -1.88 -2.43 132.00 131.76 2a3b h PRO 420 Ca 0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 2a3b h PRO 420 Cb 0.81 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 2a3b h PRO 420 CO 0.58 0.00 -0.14 1.33 -0.23 0.00 0.00 178.00 179.54 2a3b n VAL 421 N -3.19 2.22 -2.32 1.56 0.24 -1.26 -5.02 118.33 110.56 2a3b n VAL 421 Ca -0.03 -2.55 -0.40 0.00 -2.04 0.00 0.00 64.34 59.33 2a3b n VAL 421 Cb 0.10 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.18 2a3b n VAL 421 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2a3b s SER 422 N -2.68 6.95 0.29 -1.34 0.15 -0.91 -4.77 113.70 111.39 2a3b s SER 422 Ca 0.39 2.42 0.25 0.00 0.70 0.00 0.00 55.95 59.72 2a3b s SER 422 Cb 0.35 -2.63 0.96 0.00 -1.71 0.00 0.00 66.02 62.98 2a3b s SER 422 CO 0.01 -0.38 1.75 0.06 1.20 0.00 0.00 173.24 175.88 2a3b h GLN 423 N 3.43 0.00 -5.59 5.44 3.07 -1.84 -3.43 115.11 116.19 2a3b h GLN 423 Ca -0.48 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 57.64 2a3b h GLN 423 Cb 1.22 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 28.66 2a3b h GLN 423 CO 0.65 0.00 0.23 0.71 0.09 0.00 0.00 178.83 180.51 2a3b s TYR 424 N -3.30 3.17 0.21 0.06 2.02 -1.26 -4.76 117.35 113.49 2a3b s TYR 424 Ca 0.06 0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 57.19 2a3b s TYR 424 Cb 0.10 -3.15 0.21 0.00 -0.40 0.00 0.00 41.96 38.71 2a3b s TYR 424 CO 0.47 -0.59 1.84 -0.44 -1.57 0.00 0.00 175.55 175.26 2a3b h ASP 425 N 8.33 0.72 -0.27 2.29 3.32 -1.27 -0.06 116.42 129.48 2a3b h ASP 425 Ca -0.26 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 2a3b h ASP 425 Cb 1.11 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2a3b h ASP 425 CO 0.85 0.49 0.06 -0.55 -1.72 0.00 0.00 179.24 178.37 2a3b h ASN 426 N 0.85 0.42 -0.28 6.45 -1.07 -1.93 -2.63 115.58 117.39 2a3b h ASN 426 Ca 0.29 -0.24 -0.13 0.00 0.07 0.00 0.00 56.30 56.29 2a3b h ASN 426 Cb 0.05 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.17 2a3b h ASN 426 CO -0.12 0.55 -0.29 0.25 0.07 0.00 0.00 177.43 177.89 2a3b h LEU 427 N 0.27 0.82 -1.71 6.14 6.46 -1.85 0.89 115.31 126.32 2a3b h LEU 427 Ca 0.08 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.48 2a3b h LEU 427 Cb 0.30 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2a3b h LEU 427 CO 0.00 1.05 -0.17 -0.09 -0.62 0.00 0.00 178.44 178.61 2a3b h ARG 428 N 0.67 0.00 -0.77 1.25 2.43 -0.98 -1.48 114.38 115.51 2a3b h ARG 428 Ca 0.08 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 2a3b h ARG 428 Cb 0.83 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 2a3b h ARG 428 CO 0.07 0.17 0.15 0.09 -1.51 0.00 0.00 179.97 178.95 2a3b n ASN 429 N -4.10 4.43 -0.05 -3.80 3.02 -1.00 -4.78 115.26 108.97 2a3b n ASN 429 Ca -0.02 -2.89 -0.01 0.00 -0.03 0.00 0.00 54.58 51.63 2a3b n ASN 429 Cb 0.25 -0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 38.73 2a3b n ASN 429 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a3b n GLY 430 N 0.12 0.48 3.54 7.41 0.00 -0.56 -4.26 105.19 111.92 2a3b n GLY 430 Ca 0.29 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2a3b n GLY 430 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2a3b n MET 431 N -2.69 -1.44 0.00 1.61 1.56 0.29 -4.99 117.12 111.46 2a3b n MET 431 Ca -0.01 0.66 0.05 0.00 -0.27 0.00 0.00 57.70 58.13 2a3b n MET 431 Cb 0.06 -4.50 0.30 0.00 2.15 0.00 0.00 33.22 31.23 2a3b n MET 431 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28