#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cia n THR 39 N 0.00 3.78 0.00 1.96 -2.24 -1.26 -4.57 114.28 111.95 3cia n THR 39 Ca 0.00 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.14 3cia n THR 39 Cb 0.00 -2.49 0.00 0.00 -2.10 0.00 0.00 70.33 65.74 3cia n THR 39 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3cia n ASP 40 N 6.39 0.00 -2.91 3.42 2.03 -1.26 -4.39 116.55 119.84 3cia n ASP 40 Ca 0.48 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.79 3cia n ASP 40 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3cia n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cia n ALA 41 N 0.00 0.00 -0.04 -1.67 0.00 -1.26 -4.28 120.51 113.26 3cia n ALA 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cia n ALA 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cia n ALA 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cia n TYR 42 N -1.54 0.00 -4.59 0.00 4.02 -1.26 -4.86 117.16 108.93 3cia n TYR 42 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3cia n TYR 42 Cb 0.00 -0.86 -0.17 0.00 -0.02 0.00 0.00 39.34 38.30 3cia n TYR 42 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3cia s THR 43 N -1.36 1.70 -0.69 -0.72 -1.32 -1.26 -4.93 115.64 107.06 3cia s THR 43 Ca 0.00 -0.77 0.25 0.00 -1.21 0.00 0.00 61.69 59.96 3cia s THR 43 Cb 0.00 -1.52 0.18 0.00 -1.51 0.00 0.00 72.50 69.65 3cia s THR 43 CO 0.00 0.48 1.57 -1.22 -2.21 0.00 0.00 174.62 173.24 3cia n TYR 44 N 4.09 0.78 -1.68 9.09 4.01 -1.26 -4.86 117.16 127.32 3cia n TYR 44 Ca -0.19 0.23 -0.47 0.00 -0.16 0.00 0.00 57.90 57.30 3cia n TYR 44 Cb 0.51 -0.82 -0.05 0.00 -0.31 0.00 0.00 39.34 38.68 3cia n TYR 44 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cia n ALA 45 N -1.81 1.04 -1.86 -0.72 0.00 -1.26 -4.81 120.51 111.09 3cia n ALA 45 Ca 0.05 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 3cia n ALA 45 Cb 0.44 -2.47 -0.01 0.00 0.00 0.00 0.00 19.45 17.41 3cia n ALA 45 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3cia n ASN 46 N 5.82 6.54 0.00 0.00 6.94 -1.26 -4.65 115.26 128.64 3cia n ASN 46 Ca 0.21 -2.93 0.02 0.00 -0.02 0.00 0.00 54.58 51.86 3cia n ASN 46 Cb 0.30 -1.51 0.11 0.00 -2.36 0.00 0.00 39.78 36.32 3cia n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cia n TYR 47 N 3.69 0.00 -0.09 -2.53 4.11 -1.26 -1.00 117.16 120.08 3cia n TYR 47 Ca 0.58 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 58.36 3cia n TYR 47 Cb 0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.60 3cia n TYR 47 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 3cia h ASP 48 N 0.00 0.52 0.00 9.48 3.58 -2.00 -3.38 116.42 124.62 3cia h ASP 48 Ca 0.00 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.05 3cia h ASP 48 Cb 0.00 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 3cia h ASP 48 CO 0.00 0.79 -1.10 0.00 -2.88 0.00 0.00 179.24 176.05 3cia n GLN 49 N -4.51 1.46 -4.78 0.28 10.64 -0.17 -4.89 117.38 115.41 3cia n GLN 49 Ca -0.04 -0.01 -0.24 0.00 -1.83 0.00 0.00 57.00 54.88 3cia n GLN 49 Cb 0.33 -1.05 -0.15 0.00 -0.86 0.00 0.00 30.24 28.51 3cia n GLN 49 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3cia s VAL 50 N -2.10 1.36 -0.07 -0.39 0.11 -1.12 -1.21 120.40 116.97 3cia s VAL 50 Ca -0.01 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.24 3cia s VAL 50 Cb 0.01 -1.14 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 3cia s VAL 50 CO 0.08 0.35 0.10 -0.54 -3.33 0.00 0.00 175.10 171.76 3cia s LYS 51 N -0.49 -0.02 0.18 1.54 1.02 -0.59 -4.15 119.74 117.22 3cia s LYS 51 Ca 0.06 0.39 -0.31 0.00 0.02 0.00 0.00 55.97 56.14 3cia s LYS 51 Cb -0.07 -0.58 -0.09 0.00 -0.52 0.00 0.00 37.83 36.57 3cia s LYS 51 CO -0.00 -0.37 1.39 0.00 -0.92 0.00 0.00 175.35 175.45 3cia s ALA 52 N 2.22 3.60 -0.54 5.17 0.00 -1.26 -1.82 121.76 129.12 3cia s ALA 52 Ca 0.04 1.18 0.14 0.00 0.00 0.00 0.00 51.96 53.33 3cia s ALA 52 Cb -0.13 -3.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.29 3cia s ALA 52 CO -0.05 -0.63 0.55 0.25 0.00 0.00 0.00 175.76 175.88 3cia n THR 53 N 3.16 0.00 -3.83 0.00 -2.24 0.14 -4.49 114.28 107.03 3cia n THR 53 Ca 0.09 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 3cia n THR 53 Cb 0.42 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 3cia n THR 53 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3cia s HIS 54 N -2.50 0.11 -0.17 4.78 2.46 -1.25 -2.44 115.29 116.30 3cia s HIS 54 Ca 0.03 -0.47 -0.04 0.00 0.47 0.00 0.00 55.06 55.05 3cia s HIS 54 Cb 0.11 0.15 0.08 0.00 -0.13 0.00 0.00 32.58 32.79 3cia s HIS 54 CO 0.60 -0.78 0.21 0.08 -2.47 0.00 0.00 174.74 172.37 3cia s VAL 55 N -3.91 -0.32 -0.25 0.89 1.01 -0.14 -2.72 120.40 114.96 3cia s VAL 55 Ca 0.12 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 3cia s VAL 55 Cb 0.02 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 3cia s VAL 55 CO -0.03 -0.09 0.26 -0.47 0.00 0.00 0.00 175.10 174.77 3cia s TYR 56 N 2.33 3.29 -0.21 5.22 6.14 -0.80 -2.24 117.35 131.08 3cia s TYR 56 Ca 0.05 0.32 -0.05 0.00 0.64 0.00 0.00 57.07 58.03 3cia s TYR 56 Cb -0.14 -2.41 -0.02 0.00 0.42 0.00 0.00 41.96 39.80 3cia s TYR 56 CO -0.10 -0.06 0.00 -0.51 0.64 0.00 0.00 175.55 175.52 3cia s LEU 57 N 1.48 3.23 -0.99 6.97 2.01 -0.88 0.31 118.68 130.81 3cia s LEU 57 Ca 0.11 -0.22 -0.07 0.00 0.01 0.00 0.00 54.13 53.96 3cia s LEU 57 Cb -0.15 -1.83 0.25 0.00 0.01 0.00 0.00 46.19 44.47 3cia s LEU 57 CO 0.08 0.04 0.94 -0.62 1.01 0.00 0.00 176.35 177.80 3cia s ASP 58 N 1.12 6.74 0.19 2.29 -1.08 0.55 -0.18 116.67 126.31 3cia s ASP 58 Ca 0.03 -3.52 0.09 0.00 -0.52 0.00 0.00 52.55 48.63 3cia s ASP 58 Cb -0.14 -2.09 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 3cia s ASP 58 CO 0.01 -0.28 -0.12 -0.76 0.52 0.00 0.00 175.17 174.55 3cia s LEU 59 N -1.10 2.89 -0.11 -1.34 2.01 0.26 -2.06 118.68 119.23 3cia s LEU 59 Ca 0.28 -0.64 0.03 0.00 0.01 0.00 0.00 54.13 53.80 3cia s LEU 59 Cb -0.10 -1.56 -0.00 0.00 0.01 0.00 0.00 46.19 44.54 3cia s LEU 59 CO -0.09 0.10 -0.21 0.21 1.01 0.00 0.00 176.35 177.36 3cia s ASN 60 N -2.89 3.33 -0.77 2.29 2.47 -0.79 -1.53 114.94 117.05 3cia s ASN 60 Ca 0.25 -0.50 -0.21 0.00 0.42 0.00 0.00 52.86 52.82 3cia s ASN 60 Cb -0.08 -1.46 0.10 0.00 -1.45 0.00 0.00 41.25 38.35 3cia s ASN 60 CO 0.15 0.15 1.01 -0.69 -3.72 0.00 0.00 177.10 174.00 3cia s VAL 61 N 0.38 4.53 -0.46 -5.21 1.01 0.44 -2.65 120.40 118.45 3cia s VAL 61 Ca -0.16 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3cia s VAL 61 Cb -0.17 -4.71 0.04 0.00 0.00 0.00 0.00 36.38 31.54 3cia s VAL 61 CO 0.07 -1.45 0.50 -0.62 0.00 0.00 0.00 175.10 173.60 3cia s ASP 62 N 3.67 6.20 0.06 3.32 -1.08 -0.71 -4.73 116.67 123.40 3cia s ASP 62 Ca 0.26 -0.88 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 3cia s ASP 62 Cb -0.12 -2.24 1.02 0.00 -1.46 0.00 0.00 42.92 40.11 3cia s ASP 62 CO 0.01 -0.71 1.80 0.49 0.52 0.00 0.00 175.17 177.28 3cia n PHE 63 N 5.73 0.25 0.03 -5.34 3.72 -1.26 -0.76 117.46 119.83 3cia n PHE 63 Ca -0.08 0.08 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 3cia n PHE 63 Cb 0.46 -0.63 -0.14 0.00 -0.94 0.00 0.00 39.48 38.23 3cia n PHE 63 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3cia h ASP 64 N 0.00 0.36 -0.00 4.37 3.45 -1.96 -3.32 116.42 119.32 3cia h ASP 64 Ca 0.00 -0.61 0.00 0.00 0.43 0.00 0.00 57.03 56.85 3cia h ASP 64 Cb 0.49 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 3cia h ASP 64 CO 0.00 1.53 -0.45 0.29 -1.57 0.00 0.00 179.24 179.04 3cia n LYS 65 N -3.41 1.23 -3.65 3.56 4.76 -1.22 -4.97 118.16 114.46 3cia n LYS 65 Ca -0.22 -1.01 -0.27 0.00 -2.87 0.00 0.00 58.31 53.94 3cia n LYS 65 Cb 1.05 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.80 3cia n LYS 65 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3cia n LYS 66 N -0.00 -2.19 -3.73 1.97 5.02 0.06 -4.45 118.16 114.83 3cia n LYS 66 Ca 0.10 0.53 -0.14 0.00 -2.02 0.00 0.00 58.31 56.78 3cia n LYS 66 Cb 0.47 -4.57 -0.08 0.00 -0.02 0.00 0.00 35.03 30.82 3cia n LYS 66 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3cia s SER 67 N -3.70 -0.27 -0.20 4.39 1.04 -0.43 -3.11 113.70 111.42 3cia s SER 67 Ca 0.35 0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.92 3cia s SER 67 Cb -0.11 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 3cia s SER 67 CO 0.84 -0.43 0.09 -0.76 0.98 0.00 0.00 173.24 173.95 3cia s LEU 68 N -1.16 3.90 -0.02 2.42 1.43 -1.26 -1.74 118.68 122.25 3cia s LEU 68 Ca -0.12 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3cia s LEU 68 Cb -0.04 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.20 3cia s LEU 68 CO 0.05 0.14 0.04 -0.94 0.23 0.00 0.00 176.35 175.86 3cia s SER 69 N 0.57 0.05 0.00 2.29 1.04 -1.08 -0.68 113.70 115.89 3cia s SER 69 Ca 0.05 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.54 3cia s SER 69 Cb -0.13 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.95 3cia s SER 69 CO 0.01 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3cia n GLY 70 N 4.09 -0.62 3.54 7.32 0.00 -1.05 -1.89 105.19 116.59 3cia n GLY 70 Ca -0.26 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 3cia n GLY 70 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cia s PHE 71 N 0.00 -0.48 -0.18 1.61 -0.12 -0.88 -2.78 117.98 115.15 3cia s PHE 71 Ca 0.00 0.74 -0.02 0.00 -0.05 0.00 0.00 56.93 57.60 3cia s PHE 71 Cb 0.00 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 3cia s PHE 71 CO 0.00 -0.49 -0.08 0.00 -0.05 0.00 0.00 175.22 174.60 3cia s ALA 72 N -1.52 2.73 -0.52 1.99 0.00 0.17 -0.33 121.76 124.29 3cia s ALA 72 Ca -0.04 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 3cia s ALA 72 Cb -0.00 -1.49 0.14 0.00 0.00 0.00 0.00 23.12 21.76 3cia s ALA 72 CO 0.02 -0.14 0.31 -2.00 0.00 0.00 0.00 175.76 173.95 3cia s GLU 73 N 0.98 2.21 0.33 0.00 2.12 0.15 -0.74 118.70 123.75 3cia s GLU 73 Ca -0.01 -2.27 -0.27 0.00 0.36 0.00 0.00 54.97 52.78 3cia s GLU 73 Cb -0.15 -3.58 -0.09 0.00 0.26 0.00 0.00 34.13 30.57 3cia s GLU 73 CO -0.00 -1.11 1.06 -0.51 -0.54 0.00 0.00 175.26 174.16 3cia s LEU 74 N 0.35 4.39 -0.15 2.70 2.01 -0.53 -1.90 118.68 125.56 3cia s LEU 74 Ca 0.14 2.15 -0.01 0.00 0.01 0.00 0.00 54.13 56.41 3cia s LEU 74 Cb -0.22 -3.86 -0.01 0.00 0.01 0.00 0.00 46.19 42.11 3cia s LEU 74 CO -0.04 -0.26 -0.11 -0.44 1.01 0.00 0.00 176.35 176.52 3cia s SER 75 N -1.19 4.13 0.26 2.29 0.01 -1.10 -1.47 113.70 116.63 3cia s SER 75 Ca 0.50 -0.32 0.09 0.00 1.31 0.00 0.00 55.95 57.53 3cia s SER 75 Cb -0.27 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 3cia s SER 75 CO 0.35 0.14 0.02 -0.76 0.41 0.00 0.00 173.24 173.39 3cia s LEU 76 N 0.52 3.26 -0.14 2.44 1.43 -1.02 -0.68 118.68 124.49 3cia s LEU 76 Ca -0.07 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 3cia s LEU 76 Cb -0.15 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.32 3cia s LEU 76 CO 0.04 0.00 -0.04 -1.81 0.23 0.00 0.00 176.35 174.76 3cia s ASP 77 N -3.66 2.53 0.03 2.29 1.11 -0.76 -4.75 116.67 113.46 3cia s ASP 77 Ca 0.31 -0.52 0.01 0.00 0.18 0.00 0.00 52.55 52.53 3cia s ASP 77 Cb -0.07 -0.81 -0.04 0.00 1.07 0.00 0.00 42.92 43.08 3cia s ASP 77 CO 0.20 -0.18 0.11 0.26 1.18 0.00 0.00 175.17 176.74 3cia s TRP 78 N 1.72 3.31 -0.06 4.23 0.52 -1.26 -1.55 118.94 125.84 3cia s TRP 78 Ca 0.02 0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.35 3cia s TRP 78 Cb -0.14 -1.71 -0.06 0.00 -1.15 0.00 0.00 33.47 30.41 3cia s TRP 78 CO -0.08 0.56 -0.02 1.19 0.02 0.00 0.00 176.95 178.62 3cia n PHE 79 N 0.81 0.00 -3.18 -1.98 3.01 -0.35 -5.00 117.46 110.77 3cia n PHE 79 Ca -0.10 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.97 3cia n PHE 79 Cb 0.52 -0.27 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 3cia n PHE 79 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3cia s THR 80 N -2.14 5.03 0.27 4.37 -4.23 -1.25 -4.98 115.64 112.71 3cia s THR 80 Ca -0.06 1.24 0.25 0.00 -1.18 0.00 0.00 61.69 61.94 3cia s THR 80 Cb 0.02 -3.94 0.25 0.00 1.34 0.00 0.00 72.50 70.17 3cia s THR 80 CO 0.19 0.34 1.93 0.44 -0.54 0.00 0.00 174.62 176.98 3cia h ASP 81 N 6.30 0.00 -3.12 3.99 3.32 -1.97 -3.45 116.42 121.48 3cia h ASP 81 Ca -0.43 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.10 3cia h ASP 81 Cb 1.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3cia h ASP 81 CO 0.73 0.19 -0.20 0.54 -1.72 0.00 0.00 179.24 178.78 3cia s ASN 82 N -6.21 6.44 0.41 6.45 4.22 -1.26 -4.99 114.94 120.01 3cia s ASN 82 Ca -0.01 0.64 -0.25 0.00 -2.14 0.00 0.00 52.86 51.09 3cia s ASN 82 Cb 0.12 -2.11 -0.10 0.00 1.28 0.00 0.00 41.25 40.43 3cia s ASN 82 CO 0.62 -0.13 1.13 0.29 -2.04 0.00 0.00 177.10 176.97 3cia n LYS 83 N -0.74 1.63 -3.68 3.55 5.02 -1.26 -4.97 118.16 117.71 3cia n LYS 83 Ca -0.02 0.58 -0.14 0.00 -2.02 0.00 0.00 58.31 56.71 3cia n LYS 83 Cb 0.54 -2.19 -0.07 0.00 -0.02 0.00 0.00 35.03 33.29 3cia n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cia s ALA 84 N -1.22 -1.02 0.67 7.82 0.00 -1.26 -5.13 121.76 121.63 3cia s ALA 84 Ca 0.62 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 3cia s ALA 84 Cb -0.55 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 3cia s ALA 84 CO 0.58 -0.37 1.07 -2.14 0.00 0.00 0.00 175.76 174.90 3cia s PRO 85 N -1.88 3.12 -0.35 0.00 0.02 -1.26 -4.61 135.00 130.05 3cia s PRO 85 Ca -0.09 0.56 -0.13 0.00 0.02 0.00 0.00 61.00 61.36 3cia s PRO 85 Cb -0.02 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 3cia s PRO 85 CO 0.02 -0.87 0.24 -1.17 -0.33 0.00 0.00 177.00 174.89 3cia s LEU 86 N -5.29 4.55 -0.20 -5.54 0.20 -0.92 -4.89 118.68 106.58 3cia s LEU 86 Ca 0.57 -0.49 -0.09 0.00 0.69 0.00 0.00 54.13 54.81 3cia s LEU 86 Cb -0.11 -2.13 -0.05 0.00 -0.43 0.00 0.00 46.19 43.48 3cia s LEU 86 CO 0.52 -0.26 0.11 -0.63 -0.29 0.00 0.00 176.35 175.80 3cia s ILE 87 N 1.71 5.10 0.20 6.68 1.01 -1.26 -1.68 121.20 132.96 3cia s ILE 87 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.87 3cia s ILE 87 Cb -0.18 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3cia s ILE 87 CO 0.10 0.43 -0.14 -0.76 0.00 0.00 0.00 174.94 174.56 3cia s LEU 88 N 0.54 2.54 0.10 2.97 1.43 0.37 -4.16 118.68 122.47 3cia s LEU 88 Ca 0.06 -1.00 -0.08 0.00 -1.03 0.00 0.00 54.13 52.08 3cia s LEU 88 Cb -0.12 -0.66 -0.06 0.00 0.03 0.00 0.00 46.19 45.38 3cia s LEU 88 CO 0.00 -0.17 0.38 -1.81 0.23 0.00 0.00 176.35 174.98 3cia s ASP 89 N -3.23 6.57 0.22 2.29 1.01 0.28 -1.14 116.67 122.67 3cia s ASP 89 Ca 0.21 0.70 -0.15 0.00 0.71 0.00 0.00 52.55 54.02 3cia s ASP 89 Cb -0.01 -2.14 0.01 0.00 1.01 0.00 0.00 42.92 41.79 3cia s ASP 89 CO 0.06 0.13 0.49 0.28 0.21 0.00 0.00 175.17 176.35 3cia s THR 90 N -1.49 0.02 0.00 -1.27 -1.32 -1.22 -2.65 115.64 107.72 3cia s THR 90 Ca 0.35 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 3cia s THR 90 Cb -0.13 -1.90 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 3cia s THR 90 CO 0.20 -0.09 0.00 -1.14 -2.21 0.00 0.00 174.62 171.38 3cia n ARG 91 N -0.35 0.00 -2.97 7.08 0.63 -1.17 -3.02 116.66 116.86 3cia n ARG 91 Ca -0.06 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.62 3cia n ARG 91 Cb 0.62 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.49 3cia n ARG 91 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cia n ASP 92 N -0.90 3.66 -4.81 6.15 8.00 -1.26 -4.34 116.55 123.04 3cia n ASP 92 Ca 0.00 -3.53 -0.36 0.00 0.71 0.00 0.00 54.79 51.61 3cia n ASP 92 Cb 0.00 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.46 3cia n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cia s LEU 93 N -3.25 4.20 -0.22 0.64 1.02 -1.26 -2.95 118.68 116.86 3cia s LEU 93 Ca 0.47 0.36 -0.10 0.00 0.02 0.00 0.00 54.13 54.88 3cia s LEU 93 Cb 0.30 -2.02 -0.05 0.00 0.02 0.00 0.00 46.19 44.44 3cia s LEU 93 CO -0.13 0.36 0.13 -0.69 0.02 0.00 0.00 176.35 176.05 3cia s VAL 94 N -0.76 5.29 -0.13 -1.59 1.01 -0.67 -4.97 120.40 118.57 3cia s VAL 94 Ca 0.13 0.15 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 3cia s VAL 94 Cb -0.12 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3cia s VAL 94 CO 0.03 0.40 0.10 -0.63 0.00 0.00 0.00 175.10 174.99 3cia s ILE 95 N 0.71 5.13 -0.19 2.22 -1.09 -1.26 -1.52 121.20 125.19 3cia s ILE 95 Ca 0.07 0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.43 3cia s ILE 95 Cb -0.12 -3.24 -0.08 0.00 -1.58 0.00 0.00 42.46 37.43 3cia s ILE 95 CO 0.01 0.57 -0.30 1.41 -1.23 0.00 0.00 174.94 175.40 3cia n HIS 96 N 2.44 0.00 -3.54 3.97 8.25 0.21 -4.97 115.22 121.58 3cia n HIS 96 Ca -0.19 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.18 3cia n HIS 96 Cb 0.54 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 3cia n HIS 96 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3cia s ARG 97 N -2.58 0.71 -0.06 -0.41 1.70 -1.22 -5.02 118.95 112.07 3cia s ARG 97 Ca -0.29 -0.12 0.04 0.00 -0.47 0.00 0.00 55.73 54.89 3cia s ARG 97 Cb 0.09 0.33 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 3cia s ARG 97 CO 0.39 -0.28 -0.19 0.08 -1.08 0.00 0.00 175.30 174.22 3cia s VAL 98 N -2.35 1.63 0.14 4.99 1.01 -1.26 -1.80 120.40 122.76 3cia s VAL 98 Ca 0.03 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.28 3cia s VAL 98 Cb -0.01 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3cia s VAL 98 CO -0.05 0.46 -0.20 -0.04 0.00 0.00 0.00 175.10 175.28 3cia s MET 99 N 0.10 1.22 0.09 2.72 -1.94 -0.68 -2.13 119.30 118.69 3cia s MET 99 Ca -0.07 -1.31 0.02 0.00 -1.71 0.00 0.00 55.69 52.62 3cia s MET 99 Cb -0.13 -1.39 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 3cia s MET 99 CO 0.04 0.30 -0.07 0.00 -0.01 0.00 0.00 175.02 175.28 3cia s ALA 100 N -1.63 0.93 -0.49 3.03 0.00 -0.71 -0.41 121.76 122.47 3cia s ALA 100 Ca 0.12 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.59 3cia s ALA 100 Cb -0.08 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3cia s ALA 100 CO 0.06 -0.21 0.70 0.15 0.00 0.00 0.00 175.76 176.45 3cia s LYS 101 N -3.60 3.22 0.47 0.00 1.02 -0.80 -1.79 119.74 118.26 3cia s LYS 101 Ca 0.09 -0.59 -0.08 0.00 0.02 0.00 0.00 55.97 55.42 3cia s LYS 101 Cb 0.04 -4.04 0.12 0.00 -0.52 0.00 0.00 37.83 33.43 3cia s LYS 101 CO -0.04 -1.20 0.36 0.27 -0.92 0.00 0.00 175.35 173.82 3cia n ASN 102 N 6.46 -1.87 0.00 2.83 0.23 -1.09 -3.39 115.26 118.42 3cia n ASN 102 Ca -0.03 -0.59 0.01 0.00 -0.53 0.00 0.00 54.58 53.44 3cia n ASN 102 Cb 0.47 -0.36 0.08 0.00 -2.08 0.00 0.00 39.78 37.89 3cia n ASN 102 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3cia n SER 103 N -3.79 0.00 -0.84 0.53 3.41 -1.26 -0.68 113.62 110.99 3cia n SER 103 Ca 0.05 -0.16 0.03 0.00 -0.26 0.00 0.00 58.87 58.53 3cia n SER 103 Cb 0.21 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.21 3cia n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cia n GLN 104 N -0.84 0.32 -3.96 4.33 6.02 -1.26 -4.99 117.38 116.99 3cia n GLN 104 Ca 0.02 -1.81 -0.31 0.00 -0.01 0.00 0.00 57.00 54.88 3cia n GLN 104 Cb 0.01 -0.55 0.01 0.00 1.02 0.00 0.00 30.24 30.73 3cia n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cia n GLY 105 N -0.10 -0.49 3.49 1.08 0.00 0.14 -4.98 105.19 104.33 3cia n GLY 105 Ca 0.06 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 3cia n GLY 105 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cia s GLN 106 N -6.67 3.68 -0.77 1.61 -0.21 -1.26 -4.83 119.66 111.21 3cia s GLN 106 Ca 0.68 -0.50 -0.26 0.00 0.02 0.00 0.00 55.36 55.30 3cia s GLN 106 Cb -0.35 -3.04 0.01 0.00 1.00 0.00 0.00 33.01 30.63 3cia s GLN 106 CO 0.84 0.12 1.51 -1.58 -2.12 0.00 0.00 175.29 174.05 3cia s TRP 107 N 0.71 2.13 0.23 0.91 0.52 -1.26 -2.69 118.94 119.50 3cia s TRP 107 Ca -0.00 0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.27 3cia s TRP 107 Cb -0.14 -4.46 -0.04 0.00 -1.15 0.00 0.00 33.47 27.68 3cia s TRP 107 CO 0.02 -2.09 0.15 0.14 0.02 0.00 0.00 176.95 175.19 3cia s VAL 108 N 6.79 4.29 -0.04 4.03 -7.23 -0.74 -4.91 120.40 122.59 3cia s VAL 108 Ca 0.48 -1.40 -0.22 0.00 -1.81 0.00 0.00 61.98 59.03 3cia s VAL 108 Cb -0.08 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 3cia s VAL 108 CO 0.11 -0.29 0.63 -0.75 -0.31 0.00 0.00 175.10 174.49 3cia s LYS 109 N -3.62 4.39 0.32 4.82 2.20 -1.26 -1.74 119.74 124.85 3cia s LYS 109 Ca 0.32 0.78 0.09 0.00 -0.36 0.00 0.00 55.97 56.79 3cia s LYS 109 Cb -0.08 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 3cia s LYS 109 CO 0.24 0.20 0.03 0.14 -0.36 0.00 0.00 175.35 175.60 3cia s VAL 110 N 0.36 2.85 0.14 4.02 -7.23 -0.90 -4.94 120.40 114.70 3cia s VAL 110 Ca 0.33 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 3cia s VAL 110 Cb -0.18 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 3cia s VAL 110 CO 0.17 -0.23 0.11 0.54 -0.31 0.00 0.00 175.10 175.38 3cia s ASN 111 N -3.73 5.48 0.19 4.85 2.20 -1.26 -4.45 114.94 118.21 3cia s ASN 111 Ca 0.35 -0.11 0.04 0.00 -0.94 0.00 0.00 52.86 52.19 3cia s ASN 111 Cb -0.02 -1.43 -0.05 0.00 -2.00 0.00 0.00 41.25 37.75 3cia s ASN 111 CO 0.20 0.10 -0.04 -0.72 -2.94 0.00 0.00 177.10 173.70 3cia s TYR 112 N -1.64 1.42 -0.06 1.54 1.13 -1.26 -1.12 117.35 117.36 3cia s TYR 112 Ca 0.30 -0.86 0.05 0.00 -1.41 0.00 0.00 57.07 55.15 3cia s TYR 112 Cb -0.11 -0.78 -0.01 0.00 -1.10 0.00 0.00 41.96 39.97 3cia s TYR 112 CO 0.23 -0.00 -0.21 0.34 -2.51 0.00 0.00 175.55 173.39 3cia s ASP 113 N -3.24 2.65 -0.34 -0.18 3.68 0.14 -4.99 116.67 114.40 3cia s ASP 113 Ca 0.23 -0.44 -0.03 0.00 2.13 0.00 0.00 52.55 54.44 3cia s ASP 113 Cb 0.04 -0.79 0.07 0.00 -1.45 0.00 0.00 42.92 40.79 3cia s ASP 113 CO 0.05 0.19 0.08 -0.22 0.13 0.00 0.00 175.17 175.40 3cia s LEU 114 N -0.01 4.39 1.03 -1.34 2.96 -1.26 -0.93 118.68 123.52 3cia s LEU 114 Ca -0.05 -1.48 -0.12 0.00 -0.22 0.00 0.00 54.13 52.25 3cia s LEU 114 Cb -0.13 -1.78 0.20 0.00 0.50 0.00 0.00 46.19 44.99 3cia s LEU 114 CO 0.04 -0.36 1.08 0.00 -1.32 0.00 0.00 176.35 175.79 3cia s ALA 115 N 1.24 0.73 0.44 5.97 0.00 0.36 -4.92 121.76 125.57 3cia s ALA 115 Ca -0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.38 3cia s ALA 115 Cb -0.21 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 3cia s ALA 115 CO -0.01 -3.00 1.36 0.21 0.00 0.00 0.00 175.76 174.32 3cia s LYS 116 N -4.88 3.78 0.03 0.00 2.36 -1.26 -4.20 119.74 115.57 3cia s LYS 116 Ca 0.66 2.28 -0.30 0.00 -2.55 0.00 0.00 55.97 56.06 3cia s LYS 116 Cb -0.20 -2.67 -0.05 0.00 -1.05 0.00 0.00 37.83 33.86 3cia s LYS 116 CO 0.59 -0.69 1.25 0.50 1.55 0.00 0.00 175.35 178.54 3cia s ARG 117 N -2.39 4.38 0.70 4.03 3.52 -1.26 -4.47 118.95 123.46 3cia s ARG 117 Ca 0.60 1.80 -0.11 0.00 -0.13 0.00 0.00 55.73 57.89 3cia s ARG 117 Cb -0.41 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 3cia s ARG 117 CO 0.52 -0.36 1.08 0.34 -0.81 0.00 0.00 175.30 176.08 3cia s ASP 118 N 1.27 5.45 0.16 -2.12 2.15 0.21 -4.90 116.67 118.89 3cia s ASP 118 Ca 0.59 1.10 0.17 0.00 0.43 0.00 0.00 52.55 54.85 3cia s ASP 118 Cb -0.29 -1.91 -0.05 0.00 -0.30 0.00 0.00 42.92 40.37 3cia s ASP 118 CO 0.27 -1.32 1.06 0.44 -0.17 0.00 0.00 175.17 175.45 3cia h ASP 119 N -0.62 0.00 0.00 -0.34 3.45 -1.96 -3.22 116.42 113.73 3cia h ASP 119 Ca -0.45 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 56.85 3cia h ASP 119 Cb 1.25 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.99 3cia h ASP 119 CO 0.64 0.45 -1.62 0.55 -1.57 0.00 0.00 179.24 177.69 3cia n VAL 120 N -2.96 0.63 0.74 -1.35 3.14 -1.26 -4.76 118.33 112.51 3cia n VAL 120 Ca -0.05 -0.24 0.12 0.00 -2.96 0.00 0.00 64.34 61.21 3cia n VAL 120 Cb 0.76 -0.89 0.17 0.00 -1.06 0.00 0.00 33.84 32.82 3cia n VAL 120 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3cia n LEU 121 N -2.82 0.61 0.00 6.55 4.77 -1.26 -5.07 117.00 119.77 3cia n LEU 121 Ca -0.19 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3cia n LEU 121 Cb 0.71 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3cia n LEU 121 CO 0.11 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3cia n GLY 122 N 1.41 -0.35 3.63 -0.72 0.00 -1.22 -4.61 105.19 103.33 3cia n GLY 122 Ca 0.04 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 3cia n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cia s SER 123 N -4.00 5.92 -0.06 1.61 0.01 -1.17 0.65 113.70 116.67 3cia s SER 123 Ca 0.00 0.07 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 3cia s SER 123 Cb 0.00 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 3cia s SER 123 CO 0.00 0.08 0.98 -0.75 0.41 0.00 0.00 173.24 173.96 3cia s LYS 124 N 0.99 4.48 -0.37 12.44 2.20 -1.26 -3.37 119.74 134.84 3cia s LYS 124 Ca 0.06 1.38 -0.12 0.00 -0.36 0.00 0.00 55.97 56.93 3cia s LYS 124 Cb -0.13 -3.51 0.01 0.00 -1.51 0.00 0.00 37.83 32.69 3cia s LYS 124 CO 0.04 -0.19 0.24 -1.17 -0.36 0.00 0.00 175.35 173.90 3cia s LEU 125 N 1.55 4.70 -0.35 5.43 2.96 -0.29 -0.49 118.68 132.20 3cia s LEU 125 Ca 0.49 -0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 3cia s LEU 125 Cb -0.19 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.42 3cia s LEU 125 CO 0.22 -0.34 0.18 -0.89 -1.32 0.00 0.00 176.35 174.20 3cia s THR 126 N 1.64 4.54 -0.03 3.68 2.01 -0.10 -0.48 115.64 126.90 3cia s THR 126 Ca 0.04 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.35 3cia s THR 126 Cb -0.18 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3cia s THR 126 CO 0.09 -0.12 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.20 3cia s ILE 127 N 1.57 3.70 -0.55 1.82 1.01 -0.67 -0.68 121.20 127.39 3cia s ILE 127 Ca 0.03 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.88 3cia s ILE 127 Cb -0.18 -2.57 0.12 0.00 0.01 0.00 0.00 42.46 39.85 3cia s ILE 127 CO 0.06 0.49 0.53 0.21 0.00 0.00 0.00 174.94 176.23 3cia s ASN 128 N -1.15 6.19 0.04 3.58 2.47 -0.27 -2.15 114.94 123.65 3cia s ASN 128 Ca 0.15 -1.72 0.04 0.00 0.42 0.00 0.00 52.86 51.75 3cia s ASN 128 Cb -0.11 -2.22 -0.04 0.00 -1.45 0.00 0.00 41.25 37.43 3cia s ASN 128 CO 0.05 -0.90 -0.04 -0.89 -3.72 0.00 0.00 177.10 171.60 3cia s THR 129 N 1.77 3.82 0.25 -5.21 2.01 -1.26 -4.31 115.64 112.71 3cia s THR 129 Ca 0.04 -0.87 -0.28 0.00 0.31 0.00 0.00 61.69 60.89 3cia s THR 129 Cb -0.29 -2.74 -0.15 0.00 0.01 0.00 0.00 72.50 69.33 3cia s THR 129 CO 0.04 0.27 0.82 -2.65 -0.69 0.00 0.00 174.62 172.41 3cia n PRO 130 N 1.11 0.82 -1.65 4.92 -0.02 -1.26 -4.72 135.00 134.20 3cia n PRO 130 Ca -0.14 0.29 -0.66 0.00 -2.02 0.00 0.00 63.50 60.97 3cia n PRO 130 Cb 0.52 -1.52 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 3cia n PRO 130 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3cia n LEU 131 N 1.54 1.12 -2.08 2.45 -0.00 -1.26 0.44 117.00 119.21 3cia n LEU 131 Ca 0.13 1.09 -0.20 0.00 -0.00 0.00 0.00 56.01 57.03 3cia n LEU 131 Cb 0.29 -0.88 -0.04 0.00 -0.00 0.00 0.00 43.42 42.80 3cia n LEU 131 CO 0.58 -0.82 -0.24 0.59 -0.00 0.00 0.00 177.39 177.50 3cia n ASN 132 N 4.60 -5.70 -4.67 1.96 5.03 -1.26 -4.79 115.26 110.43 3cia n ASN 132 Ca 0.35 0.15 -0.65 0.00 0.87 0.00 0.00 54.58 55.30 3cia n ASN 132 Cb -0.06 -4.81 -0.10 0.00 -1.02 0.00 0.00 39.78 33.80 3cia n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cia n ALA 133 N -0.89 -0.95 0.89 5.41 0.00 0.17 -4.81 120.51 120.34 3cia n ALA 133 Ca -0.23 0.43 0.13 0.00 0.00 0.00 0.00 53.44 53.78 3cia n ALA 133 Cb 0.68 -1.99 0.56 0.00 0.00 0.00 0.00 19.45 18.70 3cia n ALA 133 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cia n LYS 134 N 4.75 0.06 -3.56 0.00 5.02 -1.22 -4.59 118.16 118.62 3cia n LYS 134 Ca 0.34 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.59 3cia n LYS 134 Cb -0.03 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 3cia n LYS 134 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cia s LYS 135 N -3.02 1.33 -0.13 1.97 1.02 -1.26 -2.43 119.74 117.22 3cia s LYS 135 Ca 0.13 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.36 3cia s LYS 135 Cb 0.17 0.56 0.03 0.00 -0.52 0.00 0.00 37.83 38.08 3cia s LYS 135 CO 0.53 -0.58 0.35 0.08 -0.92 0.00 0.00 175.35 174.81 3cia s VAL 136 N -3.80 0.00 -0.16 3.17 1.01 -0.54 -1.90 120.40 118.17 3cia s VAL 136 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3cia s VAL 136 Cb -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.90 3cia s VAL 136 CO -0.09 -0.00 -0.15 -0.60 0.00 0.00 0.00 175.10 174.26 3cia s ARG 137 N 0.17 2.45 -0.12 2.72 3.52 0.45 -1.45 118.95 126.69 3cia s ARG 137 Ca -0.00 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 54.91 3cia s ARG 137 Cb -0.02 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 31.07 3cia s ARG 137 CO 0.01 -0.26 -0.07 0.08 -0.81 0.00 0.00 175.30 174.25 3cia s VAL 138 N 1.42 3.66 -0.22 7.11 1.01 0.08 -1.68 120.40 131.77 3cia s VAL 138 Ca 0.04 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3cia s VAL 138 Cb -0.13 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3cia s VAL 138 CO -0.11 0.54 0.01 -0.31 0.00 0.00 0.00 175.10 175.23 3cia s TYR 139 N -0.05 3.03 0.36 5.22 2.02 -0.75 -0.65 117.35 126.53 3cia s TYR 139 Ca 0.00 -0.59 -0.09 0.00 -0.37 0.00 0.00 57.07 56.03 3cia s TYR 139 Cb -0.13 -2.14 0.03 0.00 -0.40 0.00 0.00 41.96 39.31 3cia s TYR 139 CO 0.03 -0.37 0.63 1.52 -1.57 0.00 0.00 175.55 175.78 3cia s TYR 140 N 1.35 0.61 0.07 2.71 1.13 -1.12 -0.62 117.35 121.49 3cia s TYR 140 Ca 0.04 -1.05 0.02 0.00 -1.41 0.00 0.00 57.07 54.67 3cia s TYR 140 Cb -0.15 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 3cia s TYR 140 CO 0.01 -1.35 -0.08 0.54 -2.51 0.00 0.00 175.55 172.17 3cia s ASN 141 N -3.16 1.06 0.43 -0.18 4.22 -0.57 -2.51 114.94 114.22 3cia s ASN 141 Ca 0.23 -0.79 -0.04 0.00 -2.14 0.00 0.00 52.86 50.13 3cia s ASN 141 Cb -0.03 0.06 -0.04 0.00 1.28 0.00 0.00 41.25 42.53 3cia s ASN 141 CO 0.16 -0.33 0.70 -0.94 -2.04 0.00 0.00 177.10 174.65 3cia s SER 142 N -2.36 6.29 0.32 3.54 1.04 0.15 -1.67 113.70 121.02 3cia s SER 142 Ca 0.02 0.77 0.09 0.00 0.48 0.00 0.00 55.95 57.31 3cia s SER 142 Cb -0.02 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 3cia s SER 142 CO -0.02 -0.46 0.06 0.42 0.98 0.00 0.00 173.24 174.22 3cia s THR 143 N -2.56 2.96 -0.28 2.02 -4.23 -1.15 -4.06 115.64 108.33 3cia s THR 143 Ca 0.45 -1.85 0.27 0.00 -1.18 0.00 0.00 61.69 59.38 3cia s THR 143 Cb -0.10 -2.88 0.29 0.00 1.34 0.00 0.00 72.50 71.15 3cia s THR 143 CO 0.41 -0.23 1.80 1.05 -0.54 0.00 0.00 174.62 177.11 3cia h GLU 144 N 1.72 0.00 0.00 3.99 9.09 -1.76 0.10 114.58 127.72 3cia h GLU 144 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 3cia h GLU 144 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3cia h GLU 144 CO 0.64 0.00 0.00 0.36 0.05 0.00 0.00 179.01 180.06 3cia n LYS 145 N -2.49 0.82 -1.69 1.06 2.85 -1.26 -4.86 118.16 112.58 3cia n LYS 145 Ca 0.01 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.83 3cia n LYS 145 Cb 0.24 -1.30 -0.04 0.00 -0.65 0.00 0.00 35.03 33.28 3cia n LYS 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3cia n ALA 146 N -0.80 1.93 0.70 0.58 0.00 0.35 -4.85 120.51 118.42 3cia n ALA 146 Ca 0.12 0.36 0.12 0.00 0.00 0.00 0.00 53.44 54.03 3cia n ALA 146 Cb 0.05 -2.51 0.48 0.00 0.00 0.00 0.00 19.45 17.47 3cia n ALA 146 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cia n THR 147 N 4.29 0.51 -0.88 0.00 -2.24 -1.26 -3.42 114.28 111.27 3cia n THR 147 Ca 0.18 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 62.08 3cia n THR 147 Cb 0.34 -0.74 0.30 0.00 -2.10 0.00 0.00 70.33 68.12 3cia n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cia n GLY 148 N 0.85 3.57 2.99 3.38 0.00 -1.25 -4.92 105.19 109.81 3cia n GLY 148 Ca 0.05 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 3cia n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cia s LEU 149 N -2.59 0.97 -0.25 0.99 1.43 -1.22 -1.84 118.68 116.18 3cia s LEU 149 Ca 0.45 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.84 3cia s LEU 149 Cb 0.34 0.48 0.00 0.00 0.03 0.00 0.00 46.19 47.05 3cia s LEU 149 CO 0.13 -0.11 -0.01 -1.58 0.23 0.00 0.00 176.35 175.01 3cia s GLN 150 N 0.73 3.20 -0.51 1.70 2.00 0.04 -4.86 119.66 121.96 3cia s GLN 150 Ca -0.05 -0.75 -0.17 0.00 -2.00 0.00 0.00 55.36 52.39 3cia s GLN 150 Cb -0.07 -3.12 0.09 0.00 0.80 0.00 0.00 33.01 30.71 3cia s GLN 150 CO -0.04 -0.31 0.49 -1.58 -0.50 0.00 0.00 175.29 173.36 3cia s TRP 151 N 1.46 3.19 -0.21 1.67 0.52 -1.26 -2.68 118.94 121.63 3cia s TRP 151 Ca 0.04 -0.98 -0.09 0.00 0.02 0.00 0.00 56.10 55.09 3cia s TRP 151 Cb -0.16 -3.49 -0.05 0.00 -1.15 0.00 0.00 33.47 28.63 3cia s TRP 151 CO -0.02 -0.95 0.12 -0.51 0.02 0.00 0.00 176.95 175.61 3cia s LEU 152 N 1.88 4.04 0.67 2.99 1.43 0.59 -4.97 118.68 125.30 3cia s LEU 152 Ca 0.06 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 3cia s LEU 152 Cb -0.25 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 43.92 3cia s LEU 152 CO 0.06 0.14 1.17 -0.94 0.23 0.00 0.00 176.35 177.01 3cia s SER 153 N 0.62 4.78 0.60 2.29 1.04 -1.26 -0.31 113.70 121.46 3cia s SER 153 Ca 0.06 2.23 0.29 0.00 0.48 0.00 0.00 55.95 59.01 3cia s SER 153 Cb -0.12 -2.58 1.43 0.00 0.10 0.00 0.00 66.02 64.85 3cia s SER 153 CO 0.01 -1.86 1.84 0.00 0.98 0.00 0.00 173.24 174.21 3cia h ALA 154 N 0.12 2.18 0.03 5.32 0.00 -1.88 0.36 119.26 125.39 3cia h ALA 154 Ca -0.48 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 3cia h ALA 154 Cb 1.28 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3cia h ALA 154 CO 0.53 -0.78 -1.03 1.05 0.00 0.00 0.00 179.25 179.01 3cia h GLU 155 N 0.00 0.06 -0.99 0.00 4.11 -1.85 -3.08 114.58 112.83 3cia h GLU 155 Ca 0.22 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.55 3cia h GLU 155 Cb 1.30 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 3cia h GLU 155 CO -0.00 1.03 0.00 1.04 0.07 0.00 0.00 179.01 181.15 3cia n GLN 156 N -3.41 1.05 -4.47 1.06 6.02 0.12 -4.81 117.38 112.94 3cia n GLN 156 Ca -0.02 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.00 56.70 3cia n GLN 156 Cb 0.94 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 30.62 3cia n GLN 156 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3cia s THR 157 N -0.97 1.75 0.10 5.09 -4.23 -1.19 -4.86 115.64 111.34 3cia s THR 157 Ca 0.01 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.28 3cia s THR 157 Cb 0.01 -2.57 -0.18 0.00 1.34 0.00 0.00 72.50 71.10 3cia s THR 157 CO 0.00 -0.23 1.28 0.00 -0.54 0.00 0.00 174.62 175.14 3cia h ALA 158 N 2.17 0.28 0.00 3.99 0.00 -1.87 -3.14 119.26 120.68 3cia h ALA 158 Ca -0.41 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 53.83 3cia h ALA 158 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3cia h ALA 158 CO 0.69 0.70 -0.18 0.78 0.00 0.00 0.00 179.25 181.23 3cia h GLY 159 N 0.59 0.00 0.00 0.00 0.00 -1.86 -3.46 103.07 98.34 3cia h GLY 159 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3cia h GLY 159 CO 0.17 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.99 3cia n LYS 160 N -3.70 0.00 -0.08 4.80 4.76 -1.17 -4.66 118.16 118.12 3cia n LYS 160 Ca -0.01 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.34 3cia n LYS 160 Cb 0.30 -2.86 -0.15 0.00 -1.84 0.00 0.00 35.03 30.47 3cia n LYS 160 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3cia n GLU 161 N -1.82 0.68 -4.13 1.97 1.02 -1.25 -4.29 120.64 112.81 3cia n GLU 161 Ca 0.00 0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 3cia n GLU 161 Cb 0.00 -1.58 -0.12 0.00 -0.02 0.00 0.00 31.44 29.72 3cia n GLU 161 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cia s LYS 162 N -2.59 0.59 1.10 3.49 1.02 -1.26 -4.91 119.74 117.19 3cia s LYS 162 Ca -0.09 -0.68 -0.17 0.00 0.02 0.00 0.00 55.97 55.05 3cia s LYS 162 Cb 0.07 -0.46 0.24 0.00 -0.52 0.00 0.00 37.83 37.17 3cia s LYS 162 CO 0.83 0.10 1.17 -1.25 -0.92 0.00 0.00 175.35 175.29 3cia s PRO 163 N -1.27 -0.40 -0.05 -1.68 0.04 -1.26 -4.06 135.00 126.31 3cia s PRO 163 Ca -0.05 -0.11 -0.06 0.00 0.04 0.00 0.00 61.00 60.82 3cia s PRO 163 Cb -0.08 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.77 3cia s PRO 163 CO 0.01 -3.16 0.15 0.12 0.04 0.00 0.00 177.00 174.16 3cia s PHE 164 N -3.29 -0.14 0.04 0.56 2.19 0.57 -4.39 117.98 113.52 3cia s PHE 164 Ca 0.71 0.35 0.04 0.00 0.33 0.00 0.00 56.93 58.36 3cia s PHE 164 Cb -0.09 0.04 -0.02 0.00 -1.31 0.00 0.00 43.02 41.64 3cia s PHE 164 CO 0.55 -0.11 -0.13 -1.17 1.83 0.00 0.00 175.22 176.19 3cia s LEU 165 N -0.11 2.19 -0.06 6.12 2.96 0.20 -0.30 118.68 129.69 3cia s LEU 165 Ca -0.02 -0.48 -0.25 0.00 -0.22 0.00 0.00 54.13 53.16 3cia s LEU 165 Cb -0.02 -0.52 0.06 0.00 0.50 0.00 0.00 46.19 46.21 3cia s LEU 165 CO 0.00 -0.01 0.57 0.72 -1.32 0.00 0.00 176.35 176.31 3cia s PHE 166 N -0.95 -0.53 0.23 5.38 -0.12 -1.09 0.93 117.98 121.82 3cia s PHE 166 Ca -0.00 0.95 -0.08 0.00 -0.05 0.00 0.00 56.93 57.74 3cia s PHE 166 Cb -0.08 0.30 -0.07 0.00 -0.63 0.00 0.00 43.02 42.55 3cia s PHE 166 CO 0.01 -0.52 0.53 -1.54 -0.05 0.00 0.00 175.22 173.65 3cia s SER 167 N -1.06 6.57 -0.37 1.98 1.04 0.13 -0.78 113.70 121.22 3cia s SER 167 Ca -0.10 0.84 0.01 0.00 0.48 0.00 0.00 55.95 57.17 3cia s SER 167 Cb -0.02 -2.19 0.14 0.00 0.10 0.00 0.00 66.02 64.05 3cia s SER 167 CO 0.07 -0.08 0.23 -1.58 0.98 0.00 0.00 173.24 172.86 3cia s GLN 168 N -2.94 0.68 0.00 4.02 2.00 -0.76 -4.77 119.66 117.88 3cia s GLN 168 Ca 0.46 -1.51 0.07 0.00 -2.00 0.00 0.00 55.36 52.38 3cia s GLN 168 Cb -0.11 -1.43 0.21 0.00 0.80 0.00 0.00 33.01 32.48 3cia s GLN 168 CO 0.23 -1.23 1.18 0.09 -0.50 0.00 0.00 175.29 175.06 3cia n ASN 169 N 3.83 1.23 -4.75 6.67 3.02 -1.26 -4.69 115.26 119.30 3cia n ASN 169 Ca 0.14 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.34 3cia n ASN 169 Cb 0.38 -0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.32 3cia n ASN 169 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3cia s GLN 170 N -1.70 3.77 -0.17 3.52 0.74 -1.26 -2.69 119.66 121.88 3cia s GLN 170 Ca 0.16 -0.24 -0.20 0.00 0.05 0.00 0.00 55.36 55.13 3cia s GLN 170 Cb 0.08 -3.23 -0.17 0.00 1.10 0.00 0.00 33.01 30.79 3cia s GLN 170 CO 0.11 0.50 0.30 0.00 -0.55 0.00 0.00 175.29 175.65 3cia h ALA 171 N 5.95 0.12 -2.21 1.58 0.00 -1.89 -3.45 119.26 119.36 3cia h ALA 171 Ca -0.46 -0.76 -0.57 0.00 0.00 0.00 0.00 54.91 53.12 3cia h ALA 171 Cb 1.19 0.40 -0.41 0.00 0.00 0.00 0.00 17.79 18.96 3cia h ALA 171 CO 0.66 0.38 -0.77 0.44 0.00 0.00 0.00 179.25 179.97 3cia n ILE 172 N -4.55 2.22 0.14 0.00 -5.35 -1.25 -4.77 119.36 105.79 3cia n ILE 172 Ca -0.18 -5.30 0.02 0.00 -0.27 0.00 0.00 62.75 57.02 3cia n ILE 172 Cb 0.49 -1.25 0.01 0.00 -1.74 0.00 0.00 39.64 37.14 3cia n ILE 172 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3cia n HIS 173 N 0.02 0.00 -0.15 4.28 8.25 -1.09 -4.55 115.22 121.98 3cia n HIS 173 Ca 0.29 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.71 3cia n HIS 173 Cb 0.45 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.71 3cia n HIS 173 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cia h ALA 174 N 0.59 1.12 0.00 -1.41 0.00 -1.86 -1.49 119.26 116.20 3cia h ALA 174 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3cia h ALA 174 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3cia h ALA 174 CO 0.00 0.58 -0.01 0.07 0.00 0.00 0.00 179.25 179.89 3cia h ARG 175 N 0.83 0.00 0.00 0.00 0.11 -1.80 -0.43 114.38 113.09 3cia h ARG 175 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 3cia h ARG 175 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 3cia h ARG 175 CO 0.01 0.01 0.00 -1.13 0.10 0.00 0.00 179.97 178.95 3cia n SER 176 N -3.18 0.00 -0.34 0.08 3.41 -0.56 -3.05 113.62 109.98 3cia n SER 176 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3cia n SER 176 Cb 0.12 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3cia n SER 176 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3cia n TRP 177 N -1.35 0.00 -3.61 7.33 4.27 -0.87 -4.58 117.44 118.62 3cia n TRP 177 Ca 0.07 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.60 3cia n TRP 177 Cb 0.15 0.08 -0.09 0.00 -1.36 0.00 0.00 31.31 30.10 3cia n TRP 177 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3cia s ILE 178 N 0.00 -0.67 -0.29 -1.67 1.01 -0.22 -4.88 121.20 114.48 3cia s ILE 178 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 3cia s ILE 178 Cb 0.00 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3cia s ILE 178 CO 0.00 0.04 1.11 -2.16 0.00 0.00 0.00 174.94 173.94 3cia s PRO 179 N 2.63 4.10 0.31 2.79 0.04 -1.26 -3.76 135.00 139.84 3cia s PRO 179 Ca 0.00 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 3cia s PRO 179 Cb -0.12 -3.74 0.04 0.00 0.04 0.00 0.00 34.50 30.72 3cia s PRO 179 CO -0.14 -0.86 0.59 1.51 0.04 0.00 0.00 177.00 178.14 3cia n ILE 180 N 5.77 0.00 -3.14 0.56 3.06 -1.08 -4.94 119.36 119.58 3cia n ILE 180 Ca 0.13 -0.85 -0.45 0.00 -2.50 0.00 0.00 62.75 59.07 3cia n ILE 180 Cb 0.47 0.79 -0.01 0.00 0.54 0.00 0.00 39.64 41.42 3cia n ILE 180 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 3cia s GLN 181 N -2.14 3.93 -0.75 9.51 -0.21 -1.26 0.10 119.66 128.84 3cia s GLN 181 Ca 0.14 -2.59 -0.26 0.00 0.02 0.00 0.00 55.36 52.67 3cia s GLN 181 Cb -0.04 -4.75 -0.04 0.00 1.00 0.00 0.00 33.01 29.19 3cia s GLN 181 CO 0.10 -1.51 1.94 0.34 -2.12 0.00 0.00 175.29 174.04 3cia s ASP 182 N 2.39 5.14 -0.22 5.90 2.15 -1.26 -4.77 116.67 126.00 3cia s ASP 182 Ca 0.32 -0.14 -0.20 0.00 0.43 0.00 0.00 52.55 52.96 3cia s ASP 182 Cb -0.07 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.06 3cia s ASP 182 CO -0.06 -2.62 0.57 -0.89 -0.17 0.00 0.00 175.17 172.00 3cia s THR 183 N 9.85 -0.00 -1.50 1.71 2.01 -1.26 -4.61 115.64 121.84 3cia s THR 183 Ca 0.70 0.00 0.22 0.00 0.31 0.00 0.00 61.69 62.92 3cia s THR 183 Cb -0.10 -0.80 0.41 0.00 0.01 0.00 0.00 72.50 72.02 3cia s THR 183 CO 0.10 0.00 1.69 -2.65 -0.69 0.00 0.00 174.62 173.07 3cia n PRO 184 N 2.84 0.35 0.08 4.92 -0.02 -1.26 -2.67 135.00 139.24 3cia n PRO 184 Ca -0.14 0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.54 3cia n PRO 184 Cb 0.56 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.73 3cia n PRO 184 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cia h SER 185 N 0.00 0.00 -3.38 2.55 0.02 -1.79 -3.43 113.55 107.52 3cia h SER 185 Ca 0.00 -0.14 -0.67 0.00 -0.84 0.00 0.00 61.79 60.14 3cia h SER 185 Cb 0.18 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.39 3cia h SER 185 CO 0.00 0.07 -0.78 -0.69 -1.14 0.00 0.00 176.83 174.28 3cia s VAL 186 N -3.18 2.62 -0.11 2.27 1.01 -1.09 -4.93 120.40 116.98 3cia s VAL 186 Ca 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3cia s VAL 186 Cb 0.12 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3cia s VAL 186 CO 0.70 0.32 0.02 -0.13 0.00 0.00 0.00 175.10 176.02 3cia s ARG 187 N 1.32 3.24 0.04 2.72 0.52 -1.26 -4.14 118.95 121.38 3cia s ARG 187 Ca 0.02 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 54.82 3cia s ARG 187 Cb -0.15 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 3cia s ARG 187 CO -0.07 0.61 0.05 0.14 0.02 0.00 0.00 175.30 176.05 3cia s VAL 188 N -0.62 0.15 0.31 3.52 -7.23 -0.92 -4.64 120.40 110.96 3cia s VAL 188 Ca 0.11 -1.20 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 3cia s VAL 188 Cb -0.12 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 3cia s VAL 188 CO 0.02 -0.66 0.45 0.42 -0.31 0.00 0.00 175.10 175.02 3cia s THR 189 N -2.69 4.74 0.03 5.32 -4.23 -1.02 -1.62 115.64 116.18 3cia s THR 189 Ca -0.04 -0.87 -0.05 0.00 -1.18 0.00 0.00 61.69 59.55 3cia s THR 189 Cb -0.01 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 3cia s THR 189 CO -0.05 -0.31 0.09 -0.72 -0.54 0.00 0.00 174.62 173.09 3cia s TYR 190 N -2.15 0.18 0.04 3.99 1.13 -0.87 -0.97 117.35 118.70 3cia s TYR 190 Ca 0.40 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.64 3cia s TYR 190 Cb -0.09 -0.13 -0.02 0.00 -1.10 0.00 0.00 41.96 40.61 3cia s TYR 190 CO 0.32 -0.34 -0.10 0.95 -2.51 0.00 0.00 175.55 173.86 3cia s THR 191 N -2.35 0.80 -0.20 -3.49 -4.23 -0.95 -0.30 115.64 104.92 3cia s THR 191 Ca -0.07 -0.93 -0.10 0.00 -1.18 0.00 0.00 61.69 59.41 3cia s THR 191 Cb -0.03 -0.77 0.07 0.00 1.34 0.00 0.00 72.50 73.12 3cia s THR 191 CO -0.03 -0.14 0.47 0.00 -0.54 0.00 0.00 174.62 174.38 3cia s ALA 192 N -0.96 -1.25 -0.51 3.99 0.00 0.15 -2.07 121.76 121.11 3cia s ALA 192 Ca -0.03 1.70 -0.18 0.00 0.00 0.00 0.00 51.96 53.45 3cia s ALA 192 Cb -0.08 -1.16 0.07 0.00 0.00 0.00 0.00 23.12 21.95 3cia s ALA 192 CO 0.01 -0.45 0.57 0.50 0.00 0.00 0.00 175.76 176.39 3cia s ARG 193 N 1.84 3.08 -0.16 0.00 3.00 0.75 0.13 118.95 127.59 3cia s ARG 193 Ca -0.07 -1.06 -0.04 0.00 -1.00 0.00 0.00 55.73 53.55 3cia s ARG 193 Cb -0.09 -4.12 -0.03 0.00 0.00 0.00 0.00 34.95 30.70 3cia s ARG 193 CO -0.14 -1.20 -0.01 0.42 0.00 0.00 0.00 175.30 174.37 3cia s ILE 194 N 2.36 4.11 -0.18 4.11 -1.09 -0.79 -0.57 121.20 129.15 3cia s ILE 194 Ca 0.12 -0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.22 3cia s ILE 194 Cb -0.21 -2.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 3cia s ILE 194 CO 0.10 0.49 -0.04 -0.89 -1.23 0.00 0.00 174.94 173.37 3cia s THR 195 N 0.29 3.70 0.30 2.92 2.01 -0.58 -1.74 115.64 122.54 3cia s THR 195 Ca -0.02 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.63 3cia s THR 195 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 3cia s THR 195 CO 0.02 0.46 0.22 0.35 -0.69 0.00 0.00 174.62 174.98 3cia n THR 196 N 4.02 0.00 -2.41 -0.82 -2.24 0.72 -0.42 114.28 113.13 3cia n THR 196 Ca -0.18 -2.08 -0.43 0.00 -2.27 0.00 0.00 64.05 59.10 3cia n THR 196 Cb 0.52 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 3cia n THR 196 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cia s ASP 197 N -3.03 6.95 0.00 3.42 1.01 -1.26 -4.56 116.67 119.21 3cia s ASP 197 Ca 0.31 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.31 3cia s ASP 197 Cb 0.02 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3cia s ASP 197 CO 0.22 -0.73 0.00 0.29 0.21 0.00 0.00 175.17 175.15 3cia n LYS 198 N 6.35 0.00 -0.56 8.23 5.02 -1.15 0.52 118.16 136.57 3cia n LYS 198 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3cia n LYS 198 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 3cia n LYS 198 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3cia n ASP 199 N 0.00 -1.68 -4.00 4.39 8.00 -1.18 -5.03 116.55 117.05 3cia n ASP 199 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 3cia n ASP 199 Cb 0.00 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.69 3cia n ASP 199 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cia s LEU 200 N 0.00 2.13 -0.02 0.64 1.02 0.18 -4.73 118.68 117.90 3cia s LEU 200 Ca 0.00 -0.31 0.03 0.00 0.02 0.00 0.00 54.13 53.87 3cia s LEU 200 Cb 0.00 -0.20 -0.03 0.00 0.02 0.00 0.00 46.19 45.98 3cia s LEU 200 CO 0.00 -0.07 -0.10 -0.22 0.02 0.00 0.00 176.35 175.98 3cia s LEU 201 N -0.82 3.01 -0.07 1.79 2.96 -0.29 -3.94 118.68 121.33 3cia s LEU 201 Ca -0.04 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3cia s LEU 201 Cb -0.06 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3cia s LEU 201 CO 0.00 0.31 -0.02 0.00 -1.32 0.00 0.00 176.35 175.33 3cia s ALA 202 N -0.88 3.21 0.03 5.97 0.00 -1.26 -1.94 121.76 126.88 3cia s ALA 202 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3cia s ALA 202 Cb -0.11 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 3cia s ALA 202 CO 0.04 0.59 -0.02 0.08 0.00 0.00 0.00 175.76 176.46 3cia s VAL 203 N -0.90 0.15 0.33 0.00 1.01 0.63 -5.00 120.40 116.63 3cia s VAL 203 Ca 0.14 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3cia s VAL 203 Cb -0.11 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.55 3cia s VAL 203 CO 0.03 -0.69 0.59 0.23 0.00 0.00 0.00 175.10 175.27 3cia n MET 204 N 1.01 0.85 -2.49 2.72 2.81 -1.26 -1.70 117.12 119.07 3cia n MET 204 Ca -0.20 -2.10 -0.41 0.00 -1.81 0.00 0.00 57.70 53.18 3cia n MET 204 Cb 0.57 2.38 0.01 0.00 -0.71 0.00 0.00 33.22 35.48 3cia n MET 204 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3cia n SER 205 N -1.54 7.50 -0.70 7.83 7.64 -1.03 -4.73 113.62 128.61 3cia n SER 205 Ca -0.05 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.28 3cia n SER 205 Cb 0.51 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3cia n SER 205 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cia n ALA 206 N 0.41 0.00 -2.70 -0.43 0.00 -1.26 -4.75 120.51 111.79 3cia n ALA 206 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 3cia n ALA 206 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 3cia n ALA 206 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cia s ASN 207 N -0.09 6.88 -0.33 0.00 0.01 0.14 -4.85 114.94 116.71 3cia s ASN 207 Ca 0.00 1.06 -0.12 0.00 -0.71 0.00 0.00 52.86 53.09 3cia s ASN 207 Cb 0.00 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 3cia s ASN 207 CO 0.00 -0.17 0.23 0.54 -1.51 0.00 0.00 177.10 176.19 3cia s ASN 208 N 0.91 6.01 0.20 -1.22 2.20 -1.26 -2.66 114.94 119.12 3cia s ASN 208 Ca 0.34 -0.38 -0.08 0.00 -0.94 0.00 0.00 52.86 51.80 3cia s ASN 208 Cb -0.17 -2.12 0.13 0.00 -2.00 0.00 0.00 41.25 37.09 3cia s ASN 208 CO 0.15 -0.21 1.68 1.05 -2.94 0.00 0.00 177.10 176.83 3cia h GLU 209 N 8.46 1.04 0.00 3.55 9.09 -1.96 -3.51 114.58 131.25 3cia h GLU 209 Ca -0.32 -0.31 0.00 0.00 0.05 0.00 0.00 59.36 58.78 3cia h GLU 209 Cb 1.16 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 3cia h GLU 209 CO 0.62 1.00 0.00 -2.13 0.05 0.00 0.00 179.01 178.55 3cia n ARG 214 N -4.19 0.00 0.04 1.06 0.63 -1.25 -5.07 116.66 107.88 3cia n ARG 214 Ca 0.03 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.77 3cia n ARG 214 Cb 0.33 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.11 3cia n ARG 214 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 3cia h ASP 215 N 0.00 0.62 0.00 6.15 3.04 -1.93 -3.12 116.42 121.18 3cia h ASP 215 Ca 0.00 -0.84 0.00 0.00 -3.24 0.00 0.00 57.03 52.95 3cia h ASP 215 Cb 0.00 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.09 3cia h ASP 215 CO 0.00 1.39 0.00 0.61 -2.04 0.00 0.00 179.24 179.20 3cia n GLY 216 N 1.35 1.22 2.69 7.15 0.00 -1.26 -2.93 105.19 113.40 3cia n GLY 216 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3cia n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cia s ASP 217 N -1.76 3.78 0.24 1.61 2.15 -1.26 -0.20 116.67 121.24 3cia s ASP 217 Ca 0.00 -1.46 0.11 0.00 0.43 0.00 0.00 52.55 51.63 3cia s ASP 217 Cb 0.00 -0.71 -0.05 0.00 -0.30 0.00 0.00 42.92 41.86 3cia s ASP 217 CO 0.00 -0.41 -0.20 -0.31 -0.17 0.00 0.00 175.17 174.08 3cia s TYR 218 N 1.76 2.17 -0.09 -5.34 1.51 -0.71 -5.04 117.35 111.60 3cia s TYR 218 Ca 0.08 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 3cia s TYR 218 Cb -0.17 -0.98 0.04 0.00 -0.11 0.00 0.00 41.96 40.74 3cia s TYR 218 CO -0.26 0.60 0.22 0.12 -1.11 0.00 0.00 175.55 175.12 3cia s PHE 219 N -2.40 -0.28 0.21 2.71 5.36 -1.26 -1.88 117.98 120.45 3cia s PHE 219 Ca 0.26 0.69 0.10 0.00 -0.96 0.00 0.00 56.93 57.02 3cia s PHE 219 Cb -0.05 0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.62 3cia s PHE 219 CO 0.12 -0.20 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.50 3cia s PHE 220 N 0.99 2.52 -0.07 10.12 0.40 0.12 -4.52 117.98 127.53 3cia s PHE 220 Ca -0.07 -0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 3cia s PHE 220 Cb -0.09 -1.20 0.04 0.00 0.51 0.00 0.00 43.02 42.29 3cia s PHE 220 CO -0.06 0.56 0.14 0.45 0.70 0.00 0.00 175.22 177.00 3cia s SER 221 N -3.02 0.71 -0.41 1.36 0.15 -1.09 0.32 113.70 111.74 3cia s SER 221 Ca 0.26 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 57.17 3cia s SER 221 Cb -0.08 0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.54 3cia s SER 221 CO 0.15 -0.23 0.19 -0.32 1.20 0.00 0.00 173.24 174.22 3cia s MET 222 N 2.14 1.94 0.00 5.44 0.00 0.58 -0.68 119.30 128.73 3cia s MET 222 Ca 0.02 -1.87 0.16 0.00 0.00 0.00 0.00 55.69 54.00 3cia s MET 222 Cb -0.12 -3.53 0.76 0.00 0.00 0.00 0.00 34.83 31.94 3cia s MET 222 CO -0.05 -1.06 1.52 -0.35 0.00 0.00 0.00 175.02 175.08 3cia n PRO 223 N 4.48 1.33 -3.61 4.11 -0.04 -1.26 -2.05 135.00 137.95 3cia n PRO 223 Ca -0.01 -0.50 -0.39 0.00 -0.04 0.00 0.00 63.50 62.56 3cia n PRO 223 Cb 0.41 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.47 3cia n PRO 223 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3cia s GLN 224 N -1.88 3.48 0.02 0.54 -1.52 -1.26 -4.99 119.66 114.05 3cia s GLN 224 Ca 0.25 -0.63 -0.30 0.00 -1.95 0.00 0.00 55.36 52.73 3cia s GLN 224 Cb 0.13 -3.64 -0.08 0.00 -0.22 0.00 0.00 33.01 29.19 3cia s GLN 224 CO 0.20 -0.38 1.93 0.00 -0.25 0.00 0.00 175.29 176.79 3cia s ALA 225 N 1.67 3.57 0.04 6.09 0.00 -1.26 -4.61 121.76 127.25 3cia s ALA 225 Ca 0.05 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.31 3cia s ALA 225 Cb -0.17 -3.84 -0.02 0.00 0.00 0.00 0.00 23.12 19.09 3cia s ALA 225 CO 0.08 -1.58 -0.10 0.96 0.00 0.00 0.00 175.76 175.12 3cia s ILE 226 N 4.49 0.75 0.33 0.00 -4.36 -0.64 -4.75 121.20 117.02 3cia s ILE 226 Ca 0.87 -1.04 -0.28 0.00 -0.26 0.00 0.00 60.65 59.94 3cia s ILE 226 Cb -0.41 -0.75 -0.09 0.00 1.25 0.00 0.00 42.46 42.45 3cia s ILE 226 CO 0.40 -0.24 1.17 -2.16 0.24 0.00 0.00 174.94 174.34 3cia s PRO 227 N -1.42 4.39 0.32 0.37 0.04 -1.26 -2.16 135.00 135.29 3cia s PRO 227 Ca -0.05 1.90 0.22 0.00 0.04 0.00 0.00 61.00 63.11 3cia s PRO 227 Cb -0.09 -2.99 1.12 0.00 0.04 0.00 0.00 34.50 32.58 3cia s PRO 227 CO 0.01 -0.04 1.21 -2.30 0.04 0.00 0.00 177.00 175.92 3cia n PRO 228 N 0.73 -0.03 0.00 0.56 -0.02 -1.26 -1.09 135.00 133.89 3cia n PRO 228 Ca 0.01 1.00 0.03 0.00 -2.02 0.00 0.00 63.50 62.53 3cia n PRO 228 Cb 0.45 -1.92 0.16 0.00 -0.02 0.00 0.00 33.50 32.17 3cia n PRO 228 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3cia n TYR 229 N -4.41 0.00 0.86 6.00 0.18 -1.26 -1.16 117.16 117.37 3cia n TYR 229 Ca 0.31 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.18 3cia n TYR 229 Cb 1.14 -0.45 -0.02 0.00 -0.38 0.00 0.00 39.34 39.64 3cia n TYR 229 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3cia n LEU 230 N -1.45 1.69 -4.67 -3.48 4.77 -0.25 -4.11 117.00 109.50 3cia n LEU 230 Ca 0.02 -0.72 -0.43 0.00 -0.03 0.00 0.00 56.01 54.85 3cia n LEU 230 Cb 0.08 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3cia n LEU 230 CO 0.06 0.33 1.10 -0.63 -1.33 0.00 0.00 177.39 176.92 3cia s ILE 231 N -2.28 4.17 0.04 -0.08 1.01 -0.31 -4.38 121.20 119.37 3cia s ILE 231 Ca 0.15 1.44 -0.01 0.00 0.00 0.00 0.00 60.65 62.22 3cia s ILE 231 Cb 0.15 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3cia s ILE 231 CO 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 174.94 175.36 3cia s ALA 232 N 3.33 0.25 -0.04 9.38 0.00 -1.26 -4.70 121.76 128.72 3cia s ALA 232 Ca 0.57 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 3cia s ALA 232 Cb -0.24 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3cia s ALA 232 CO 0.18 -0.27 0.12 -1.50 0.00 0.00 0.00 175.76 174.28 3cia s ILE 233 N -2.67 0.01 -0.01 0.00 2.07 -1.26 -2.47 121.20 116.86 3cia s ILE 233 Ca -0.05 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3cia s ILE 233 Cb -0.01 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.38 3cia s ILE 233 CO -0.05 -0.06 -0.01 -0.83 -1.91 0.00 0.00 174.94 172.08 3cia s GLY 234 N -0.14 0.17 -0.04 1.50 0.00 -0.69 -0.69 107.32 107.43 3cia s GLY 234 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3cia s GLY 234 CO 0.00 0.23 -0.01 0.14 0.00 0.00 0.00 173.10 173.46 3cia s VAL 235 N 0.44 0.32 -0.01 1.40 1.01 0.26 -0.27 120.40 123.55 3cia s VAL 235 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3cia s VAL 235 Cb -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.91 3cia s VAL 235 CO -0.01 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3cia n GLY 236 N 4.32 -1.21 3.28 4.51 0.00 -0.82 0.62 105.19 115.89 3cia n GLY 236 Ca -0.22 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 3cia n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cia n ASP 237 N 0.01 4.17 -4.86 1.61 4.64 -1.26 -1.14 116.55 119.72 3cia n ASP 237 Ca 0.00 -2.85 -0.36 0.00 -1.38 0.00 0.00 54.79 50.20 3cia n ASP 237 Cb 0.00 -1.67 -0.06 0.00 -1.04 0.00 0.00 41.12 38.36 3cia n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3cia s LEU 238 N 4.23 4.41 0.26 -2.67 1.43 -1.26 -4.43 118.68 120.65 3cia s LEU 238 Ca 0.54 0.74 0.12 0.00 -1.03 0.00 0.00 54.13 54.50 3cia s LEU 238 Cb 0.07 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 3cia s LEU 238 CO 0.04 0.29 -0.19 -1.61 0.23 0.00 0.00 176.35 175.12 3cia s GLU 239 N -1.40 1.72 -0.02 1.70 0.41 -0.59 -4.89 118.70 115.63 3cia s GLU 239 Ca 0.25 -1.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 3cia s GLU 239 Cb -0.14 -1.83 0.03 0.00 -1.78 0.00 0.00 34.13 30.40 3cia s GLU 239 CO 0.13 0.35 0.01 0.12 -0.49 0.00 0.00 175.26 175.39 3cia s PHE 240 N -2.31 0.16 0.00 1.61 5.36 -1.26 -1.66 117.98 119.88 3cia s PHE 240 Ca 0.28 0.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.35 3cia s PHE 240 Cb -0.06 -0.30 -0.01 0.00 -0.34 0.00 0.00 43.02 42.31 3cia s PHE 240 CO 0.14 -0.10 -0.11 0.15 -1.46 0.00 0.00 175.22 173.85 3cia s LYS 241 N 0.97 0.82 0.38 10.12 1.02 -1.00 -5.02 119.74 127.03 3cia s LYS 241 Ca -0.09 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 3cia s LYS 241 Cb -0.12 -0.79 0.08 0.00 -0.52 0.00 0.00 37.83 36.48 3cia s LYS 241 CO -0.02 0.21 0.52 0.00 -0.92 0.00 0.00 175.35 175.14 3cia n ALA 242 N 2.59 -0.10 0.00 5.17 0.00 -1.26 -1.23 120.51 125.67 3cia n ALA 242 Ca -0.15 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3cia n ALA 242 Cb 0.56 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3cia n ALA 242 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cia n MET 243 N -2.01 0.00 -1.05 0.00 2.81 -0.06 -4.85 117.12 111.96 3cia n MET 243 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 3cia n MET 243 Cb 0.28 -0.38 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 3cia n MET 243 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3cia n SER 244 N -2.07 1.37 0.19 7.83 3.41 -1.07 -5.01 113.62 118.27 3cia n SER 244 Ca 0.00 -0.52 0.07 0.00 -0.26 0.00 0.00 58.87 58.15 3cia n SER 244 Cb 0.10 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.32 3cia n SER 244 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3cia h HIS 245 N 0.52 0.00 0.00 7.33 2.07 -2.02 -3.34 115.15 119.71 3cia h HIS 245 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3cia h HIS 245 Cb 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 3cia h HIS 245 CO 0.00 0.34 -0.36 0.00 -3.07 0.00 0.00 177.93 174.84 3cia n GLN 246 N -3.35 0.57 -3.91 5.12 10.64 -1.26 -5.05 117.38 120.14 3cia n GLN 246 Ca 0.01 -1.81 -0.16 0.00 -1.83 0.00 0.00 57.00 53.21 3cia n GLN 246 Cb 0.55 -0.90 -0.16 0.00 -0.86 0.00 0.00 30.24 28.87 3cia n GLN 246 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 3cia s THR 247 N -1.27 0.14 0.18 -0.39 -4.23 -1.26 -0.68 115.64 108.13 3cia s THR 247 Ca 0.17 0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 3cia s THR 247 Cb 0.16 -0.23 0.01 0.00 1.34 0.00 0.00 72.50 73.78 3cia s THR 247 CO -0.01 0.12 0.27 0.61 -0.54 0.00 0.00 174.62 175.08 3cia n GLY 248 N 4.01 2.43 3.10 3.99 0.00 -1.19 -0.89 105.19 116.65 3cia n GLY 248 Ca -0.26 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.16 3cia n GLY 248 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cia s ILE 249 N -2.61 0.84 -0.06 -0.61 1.01 -0.37 -0.41 121.20 119.00 3cia s ILE 249 Ca 0.13 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3cia s ILE 249 Cb -0.01 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 3cia s ILE 249 CO 0.10 -0.17 -0.20 -0.31 0.00 0.00 0.00 174.94 174.36 3cia s TYR 250 N -1.04 2.03 0.14 3.97 1.51 0.06 -2.39 117.35 121.63 3cia s TYR 250 Ca -0.03 -0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 55.28 3cia s TYR 250 Cb -0.08 -1.36 0.04 0.00 -0.11 0.00 0.00 41.96 40.45 3cia s TYR 250 CO 0.01 -0.22 0.57 0.00 -1.11 0.00 0.00 175.55 174.80 3cia n ALA 251 N 3.16 -1.44 -0.79 3.71 0.00 -0.67 -1.87 120.51 122.60 3cia n ALA 251 Ca -0.18 -0.63 -0.20 0.00 0.00 0.00 0.00 53.44 52.43 3cia n ALA 251 Cb 0.53 0.39 0.12 0.00 0.00 0.00 0.00 19.45 20.48 3cia n ALA 251 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3cia n GLU 252 N -0.40 2.03 0.00 0.00 1.02 -1.26 -1.53 120.64 120.49 3cia n GLU 252 Ca -0.02 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.80 3cia n GLU 252 Cb 0.34 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3cia n GLU 252 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3cia n SER 253 N -0.63 0.00 -0.26 1.62 7.64 -1.26 -4.51 113.62 116.21 3cia n SER 253 Ca 0.46 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.32 3cia n SER 253 Cb 1.19 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 64.48 3cia n SER 253 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 3cia h TYR 254 N 0.00 0.83 -0.01 1.43 -0.00 -1.97 -2.64 116.97 114.61 3cia h TYR 254 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 3cia h TYR 254 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 36.73 36.46 3cia h TYR 254 CO 0.00 0.45 -0.57 1.51 -0.00 0.00 0.00 178.16 179.55 3cia n ILE 255 N -4.68 0.00 0.04 -0.90 3.06 -1.26 -4.65 119.36 110.97 3cia n ILE 255 Ca 0.09 -0.22 -0.03 0.00 -2.50 0.00 0.00 62.75 60.09 3cia n ILE 255 Cb 0.12 1.21 -0.02 0.00 0.54 0.00 0.00 39.64 41.49 3cia n ILE 255 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3cia h LEU 256 N 1.93 -0.23 -1.74 9.51 5.85 -1.79 0.53 115.31 129.37 3cia h LEU 256 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3cia h LEU 256 Cb 0.69 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3cia h LEU 256 CO 0.00 -0.10 0.00 0.44 -0.34 0.00 0.00 178.44 178.44 3cia h ASP 257 N -0.15 0.00 0.34 1.25 3.32 -1.83 -1.41 116.42 117.94 3cia h ASP 257 Ca -0.01 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3cia h ASP 257 Cb 0.13 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.71 3cia h ASP 257 CO -0.02 0.00 -1.39 0.00 -1.72 0.00 0.00 179.24 176.11 3cia h ALA 258 N 2.05 -0.07 -0.35 3.45 0.00 -1.77 -2.93 119.26 119.63 3cia h ALA 258 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 54.91 53.92 3cia h ALA 258 Cb 0.30 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3cia h ALA 258 CO 0.00 0.76 -0.32 0.00 0.00 0.00 0.00 179.25 179.69 3cia h ALA 259 N 0.29 0.78 0.00 0.00 0.00 -0.32 -2.50 119.26 117.51 3cia h ALA 259 Ca -0.22 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 3cia h ALA 259 Cb 2.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 3cia h ALA 259 CO 0.25 0.65 -0.51 0.28 0.00 0.00 0.00 179.25 179.92 3cia h VAL 260 N 0.65 1.26 0.00 0.00 2.07 -1.30 -2.18 116.25 116.75 3cia h VAL 260 Ca 0.07 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 3cia h VAL 260 Cb 0.85 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3cia h VAL 260 CO 0.07 0.50 -0.17 0.00 0.02 0.00 0.00 177.57 178.00 3cia h ALA 261 N 1.49 0.93 0.00 1.67 0.00 -1.45 -3.18 119.26 118.71 3cia h ALA 261 Ca -0.01 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 3cia h ALA 261 Cb 0.98 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3cia h ALA 261 CO 0.07 0.21 -1.80 -1.91 0.00 0.00 0.00 179.25 175.82 3cia n GLU 262 N -3.20 0.65 -0.18 0.00 4.07 -0.87 -4.38 120.64 116.72 3cia n GLU 262 Ca 0.02 0.13 0.09 0.00 -0.06 0.00 0.00 57.16 57.34 3cia n GLU 262 Cb 0.50 -1.70 0.14 0.00 -0.06 0.00 0.00 31.44 30.33 3cia n GLU 262 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3cia n PHE 263 N -2.81 0.00 0.64 4.31 3.72 -0.91 -4.71 117.46 117.70 3cia n PHE 263 Ca -0.17 -1.03 0.00 0.00 -0.05 0.00 0.00 57.45 56.20 3cia n PHE 263 Cb 0.94 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 3cia n PHE 263 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3cia n ASP 264 N -1.31 0.54 -0.00 4.37 3.85 -1.20 -1.13 116.55 121.66 3cia n ASP 264 Ca 0.16 -1.18 0.05 0.00 -0.71 0.00 0.00 54.79 53.11 3cia n ASP 264 Cb 0.65 -0.27 -0.06 0.00 -1.35 0.00 0.00 41.12 40.09 3cia n ASP 264 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3cia n ASP 265 N 0.14 1.08 0.24 -1.12 8.00 -1.26 -4.67 116.55 118.96 3cia n ASP 265 Ca 0.00 -0.53 0.07 0.00 0.71 0.00 0.00 54.79 55.04 3cia n ASP 265 Cb 0.13 1.14 0.58 0.00 -0.02 0.00 0.00 41.12 42.95 3cia n ASP 265 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cia h THR 266 N 0.00 1.03 -0.72 -3.53 1.35 -1.51 0.18 112.91 109.70 3cia h THR 266 Ca 0.00 -0.39 0.04 0.00 -0.55 0.00 0.00 66.41 65.51 3cia h THR 266 Cb 0.31 1.21 -0.05 0.00 -1.73 0.00 0.00 68.15 67.90 3cia h THR 266 CO 0.00 0.11 0.44 -0.61 -0.25 0.00 0.00 175.52 175.21 3cia h GLN 267 N 0.00 0.82 -0.64 4.72 5.75 -1.83 -0.97 115.11 122.96 3cia h GLN 267 Ca -0.00 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3cia h GLN 267 Cb 0.20 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3cia h GLN 267 CO 0.01 0.54 0.40 0.00 -2.65 0.00 0.00 178.83 177.14 3cia h ALA 268 N 1.33 0.83 -0.90 3.38 0.00 -1.01 -1.69 119.26 121.19 3cia h ALA 268 Ca 0.30 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.35 3cia h ALA 268 Cb 0.07 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 3cia h ALA 268 CO -0.13 0.16 0.58 0.52 0.00 0.00 0.00 179.25 180.38 3cia h MET 269 N 0.79 0.60 0.00 0.00 2.86 -0.42 -1.00 114.93 117.76 3cia h MET 269 Ca 0.26 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.66 3cia h MET 269 Cb 0.01 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3cia h MET 269 CO -0.10 0.40 -1.09 0.82 1.06 0.00 0.00 176.91 178.00 3cia h ILE 270 N 0.62 1.18 0.20 -1.22 2.04 -0.62 0.57 117.51 120.27 3cia h ILE 270 Ca 0.47 -2.81 -0.32 0.00 1.00 0.00 0.00 64.86 63.20 3cia h ILE 270 Cb 0.86 2.55 0.02 0.00 -0.74 0.00 0.00 36.82 39.51 3cia h ILE 270 CO -0.22 0.67 -1.48 0.44 0.00 0.00 0.00 178.15 177.57 3cia h ASP 271 N 0.00 0.65 0.30 1.72 3.45 -0.95 -1.69 116.42 119.91 3cia h ASP 271 Ca -0.09 -0.76 -0.16 0.00 0.43 0.00 0.00 57.03 56.46 3cia h ASP 271 Cb 1.71 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 40.26 3cia h ASP 271 CO 0.09 1.60 -0.63 0.11 -1.57 0.00 0.00 179.24 178.85 3cia h LYS 272 N 0.11 0.32 -0.17 3.56 1.79 -1.23 -2.81 116.57 118.14 3cia h LYS 272 Ca -0.24 -0.23 -0.12 0.00 -2.18 0.00 0.00 60.65 57.88 3cia h LYS 272 Cb 2.09 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.77 3cia h LYS 272 CO 0.23 0.84 -0.43 0.00 -1.08 0.00 0.00 179.45 179.01 3cia h ALA 273 N 1.10 0.95 -0.05 3.86 0.00 -0.91 -3.02 119.26 121.18 3cia h ALA 273 Ca -0.01 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 3cia h ALA 273 Cb 1.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3cia h ALA 273 CO 0.10 0.63 -0.65 0.93 0.00 0.00 0.00 179.25 180.26 3cia h GLU 274 N 0.33 0.21 -0.66 0.00 5.08 -1.31 -1.01 114.58 117.21 3cia h GLU 274 Ca 0.03 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3cia h GLU 274 Cb 0.90 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 3cia h GLU 274 CO 0.07 0.79 0.44 1.96 -1.00 0.00 0.00 179.01 181.27 3cia h GLN 275 N 0.15 0.67 0.00 2.33 4.20 -1.36 -2.69 115.11 118.41 3cia h GLN 275 Ca -0.01 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.42 3cia h GLN 275 Cb 1.18 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 3cia h GLN 275 CO 0.10 0.44 -1.91 0.00 -0.67 0.00 0.00 178.83 176.79 3cia n MET 276 N -4.47 1.31 0.00 1.46 0.00 -1.21 -4.75 117.12 109.45 3cia n MET 276 Ca 0.09 0.03 0.11 0.00 0.00 0.00 0.00 57.70 57.94 3cia n MET 276 Cb 0.21 -1.33 0.05 0.00 0.00 0.00 0.00 33.22 32.15 3cia n MET 276 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3cia n TYR 277 N -2.68 0.00 0.00 3.17 0.53 -0.39 -4.58 117.16 113.22 3cia n TYR 277 Ca -0.24 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.64 3cia n TYR 277 Cb 0.88 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 39.18 3cia n TYR 277 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3cia n GLY 278 N 1.40 0.87 3.77 2.72 0.00 -1.02 -4.80 105.19 108.13 3cia n GLY 278 Ca 0.10 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 3cia n GLY 278 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cia s LYS 279 N -1.23 3.53 -0.97 1.61 2.20 -1.26 -4.14 119.74 119.48 3cia s LYS 279 Ca 0.00 1.70 -0.24 0.00 -0.36 0.00 0.00 55.97 57.07 3cia s LYS 279 Cb 0.00 -2.19 0.03 0.00 -1.51 0.00 0.00 37.83 34.16 3cia s LYS 279 CO 0.00 -0.72 1.52 -0.47 -0.36 0.00 0.00 175.35 175.31 3cia s TYR 280 N -1.66 2.39 -1.91 4.03 5.04 -1.26 -4.86 117.35 119.13 3cia s TYR 280 Ca 0.69 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3cia s TYR 280 Cb -0.26 -4.59 0.00 0.00 0.35 0.00 0.00 41.96 37.46 3cia s TYR 280 CO 0.31 -1.93 0.34 0.54 -1.34 0.00 0.00 175.55 173.47 3cia n ARG 281 N 8.93 0.35 0.00 4.97 1.74 -1.26 -3.60 116.66 127.79 3cia n ARG 281 Ca 0.31 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.46 3cia n ARG 281 Cb 0.50 -1.02 0.06 0.00 -1.02 0.00 0.00 32.46 30.98 3cia n ARG 281 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3cia n TRP 282 N -0.42 0.00 0.00 -1.55 7.02 -1.26 -5.03 117.44 116.19 3cia n TRP 282 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3cia n TRP 282 Cb 0.01 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 3cia n TRP 282 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3cia n GLY 283 N 0.77 1.83 3.44 6.99 0.00 -1.24 -4.87 105.19 112.12 3cia n GLY 283 Ca 0.08 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3cia n GLY 283 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cia s ARG 284 N 0.00 1.59 -0.20 1.61 3.52 -1.26 -4.85 118.95 119.36 3cia s ARG 284 Ca 0.00 -1.65 -0.05 0.00 -0.13 0.00 0.00 55.73 53.90 3cia s ARG 284 Cb 0.00 -1.78 0.07 0.00 -1.56 0.00 0.00 34.95 31.68 3cia s ARG 284 CO 0.00 0.36 0.12 -0.47 -0.81 0.00 0.00 175.30 174.50 3cia s TYR 285 N -2.13 0.12 0.43 5.12 5.04 0.14 -4.36 117.35 121.71 3cia s TYR 285 Ca 0.25 -0.33 0.07 0.00 -2.44 0.00 0.00 57.07 54.62 3cia s TYR 285 Cb -0.06 -0.67 -0.04 0.00 0.35 0.00 0.00 41.96 41.53 3cia s TYR 285 CO 0.12 -0.60 0.17 -0.51 -1.34 0.00 0.00 175.55 173.39 3cia s ASP 286 N 2.17 4.36 -0.05 4.32 1.01 -0.52 -3.15 116.67 124.80 3cia s ASP 286 Ca 0.04 -1.18 0.04 0.00 0.71 0.00 0.00 52.55 52.17 3cia s ASP 286 Cb -0.16 -0.30 -0.00 0.00 1.01 0.00 0.00 42.92 43.46 3cia s ASP 286 CO -0.16 -0.61 -0.18 -0.76 0.21 0.00 0.00 175.17 173.68 3cia s LEU 287 N -3.92 1.91 -0.28 1.23 1.02 0.45 -1.67 118.68 117.42 3cia s LEU 287 Ca 0.37 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 54.17 3cia s LEU 287 Cb 0.04 -1.01 0.07 0.00 0.02 0.00 0.00 46.19 45.31 3cia s LEU 287 CO 0.20 0.15 -0.04 -0.22 0.02 0.00 0.00 176.35 176.46 3cia s LEU 288 N 0.11 3.66 -0.15 1.79 2.96 -0.05 -0.76 118.68 126.24 3cia s LEU 288 Ca -0.06 -1.60 -0.29 0.00 -0.22 0.00 0.00 54.13 51.95 3cia s LEU 288 Cb -0.12 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3cia s LEU 288 CO 0.03 -0.26 1.07 -0.04 -1.32 0.00 0.00 176.35 175.82 3cia s MET 289 N 1.11 4.34 0.46 1.98 -1.94 -0.78 0.38 119.30 124.84 3cia s MET 289 Ca -0.02 1.44 0.03 0.00 -1.71 0.00 0.00 55.69 55.44 3cia s MET 289 Cb -0.19 -3.60 0.01 0.00 2.01 0.00 0.00 34.83 33.06 3cia s MET 289 CO -0.07 -0.47 0.65 -0.51 -0.01 0.00 0.00 175.02 174.61 3cia s LEU 290 N 2.57 3.58 0.75 -0.03 1.02 -0.28 -4.72 118.68 121.57 3cia s LEU 290 Ca 0.48 -0.04 -0.11 0.00 0.02 0.00 0.00 54.13 54.48 3cia s LEU 290 Cb -0.18 -2.89 0.04 0.00 0.02 0.00 0.00 46.19 43.18 3cia s LEU 290 CO 0.14 -0.82 1.08 -2.16 0.02 0.00 0.00 176.35 174.61 3cia s PRO 291 N -4.52 2.48 0.22 1.29 0.04 -1.26 -4.18 135.00 129.07 3cia s PRO 291 Ca 0.52 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.52 3cia s PRO 291 Cb -0.10 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.61 3cia s PRO 291 CO 0.36 -1.42 0.77 -2.30 0.04 0.00 0.00 177.00 174.45 3cia n PRO 292 N -3.34 0.02 0.22 0.56 -0.02 -1.26 -0.42 135.00 130.76 3cia n PRO 292 Ca 0.08 0.35 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 3cia n PRO 292 Cb 0.54 -2.14 0.23 0.00 -0.02 0.00 0.00 33.50 32.11 3cia n PRO 292 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3cia h SER 293 N 0.00 0.00 -1.68 2.55 0.87 -1.87 -3.14 113.55 110.28 3cia h SER 293 Ca 0.00 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 3cia h SER 293 Cb 1.15 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.13 3cia h SER 293 CO 0.00 0.00 0.96 0.33 -0.53 0.00 0.00 176.83 177.59 3cia n PHE 294 N -3.08 2.13 -0.07 2.24 7.35 0.44 -4.04 117.46 122.43 3cia n PHE 294 Ca 0.04 0.38 0.02 0.00 -0.76 0.00 0.00 57.45 57.13 3cia n PHE 294 Cb 0.50 -2.52 0.34 0.00 0.35 0.00 0.00 39.48 38.16 3cia n PHE 294 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 3cia h PRO 295 N 7.76 0.68 0.00 -7.13 0.13 -1.89 -3.24 132.00 128.31 3cia h PRO 295 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3cia h PRO 295 Cb 1.31 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3cia h PRO 295 CO 0.96 0.49 0.00 1.19 -0.23 0.00 0.00 178.00 180.41 3cia n PHE 296 N -4.42 -2.26 -0.06 1.56 3.01 -1.26 0.10 117.46 114.14 3cia n PHE 296 Ca 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.47 3cia n PHE 296 Cb 0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.41 3cia n PHE 296 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cia n GLY 297 N 5.00 -1.03 0.00 1.37 0.00 -1.26 -4.64 105.19 104.64 3cia n GLY 297 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3cia n GLY 297 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cia n GLY 298 N 1.57 1.83 3.50 -0.02 0.00 -1.26 -2.37 105.19 108.44 3cia n GLY 298 Ca -0.22 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3cia n GLY 298 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cia s MET 299 N -1.84 3.35 -1.51 1.61 1.75 -0.78 -4.93 119.30 116.95 3cia s MET 299 Ca 0.00 -0.55 -0.09 0.00 -1.25 0.00 0.00 55.69 53.79 3cia s MET 299 Cb 0.00 -2.77 -0.08 0.00 2.84 0.00 0.00 34.83 34.82 3cia s MET 299 CO 0.00 0.37 2.82 -0.85 -0.65 0.00 0.00 175.02 176.70 3cia n GLU 300 N 3.13 3.43 -2.61 4.11 0.00 -1.26 -1.79 120.64 125.64 3cia n GLU 300 Ca -0.18 -2.09 -0.43 0.00 0.00 0.00 0.00 57.16 54.47 3cia n GLU 300 Cb 0.53 -2.75 -0.02 0.00 0.00 0.00 0.00 31.44 29.19 3cia n GLU 300 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3cia s ASN 301 N 2.40 7.08 -0.21 -1.84 0.02 -1.23 -4.89 114.94 116.28 3cia s ASN 301 Ca 0.65 1.47 -0.43 0.00 -1.02 0.00 0.00 52.86 53.53 3cia s ASN 301 Cb 0.17 -2.54 -0.20 0.00 0.02 0.00 0.00 41.25 38.70 3cia s ASN 301 CO -0.06 -0.66 1.32 -0.81 0.02 0.00 0.00 177.10 176.92 3cia n PRO 302 N 6.20 0.11 0.00 -0.60 -0.04 -1.26 0.04 135.00 139.45 3cia n PRO 302 Ca 0.12 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3cia n PRO 302 Cb 0.46 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3cia n PRO 302 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cia n ARG 303 N 2.71 0.00 -3.33 0.54 1.74 -1.26 -4.24 116.66 112.82 3cia n ARG 303 Ca 0.25 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 3cia n ARG 303 Cb 0.03 -2.14 -0.07 0.00 -1.02 0.00 0.00 32.46 29.26 3cia n ARG 303 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3cia s LEU 304 N 0.00 -0.43 -0.04 0.55 1.98 0.11 -1.44 118.68 119.40 3cia s LEU 304 Ca 0.00 -1.10 -0.24 0.00 -2.89 0.00 0.00 54.13 49.90 3cia s LEU 304 Cb 0.00 0.85 -0.04 0.00 0.66 0.00 0.00 46.19 47.66 3cia s LEU 304 CO 0.00 -0.29 0.73 -0.44 -1.89 0.00 0.00 176.35 174.46 3cia s SER 305 N 1.86 7.06 -0.43 3.68 0.01 -0.67 -3.50 113.70 121.71 3cia s SER 305 Ca 0.14 1.28 -0.24 0.00 1.31 0.00 0.00 55.95 58.43 3cia s SER 305 Cb -0.13 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.69 3cia s SER 305 CO -0.14 -0.09 0.86 -0.36 0.41 0.00 0.00 173.24 173.91 3cia s PHE 306 N 0.61 2.99 -0.05 2.43 0.40 -0.74 -0.87 117.98 122.75 3cia s PHE 306 Ca 0.39 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 57.11 3cia s PHE 306 Cb -0.19 -3.74 -0.03 0.00 0.51 0.00 0.00 43.02 39.57 3cia s PHE 306 CO 0.20 -0.97 -0.07 0.42 0.70 0.00 0.00 175.22 175.49 3cia s ILE 307 N 3.46 3.65 0.37 0.64 -1.09 0.16 -1.87 121.20 126.53 3cia s ILE 307 Ca 0.34 -0.55 -0.26 0.00 -2.23 0.00 0.00 60.65 57.95 3cia s ILE 307 Cb -0.11 -2.51 -0.09 0.00 -1.58 0.00 0.00 42.46 38.17 3cia s ILE 307 CO 0.23 0.56 1.11 0.28 -1.23 0.00 0.00 174.94 175.89 3cia s THR 308 N -0.84 3.43 -0.33 2.92 -1.32 -1.00 -1.13 115.64 117.37 3cia s THR 308 Ca 0.13 1.21 0.26 0.00 -1.21 0.00 0.00 61.69 62.08 3cia s THR 308 Cb -0.11 -3.69 0.28 0.00 -1.51 0.00 0.00 72.50 67.48 3cia s THR 308 CO 0.02 0.12 1.78 1.55 -2.21 0.00 0.00 174.62 175.89 3cia h PRO 309 N 2.87 0.00 0.00 7.08 0.13 -1.87 -3.16 132.00 137.05 3cia h PRO 309 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3cia h PRO 309 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3cia h PRO 309 CO 0.63 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.65 3cia n THR 310 N -2.44 1.46 1.00 1.56 -2.24 -1.26 -2.00 114.28 110.36 3cia n THR 310 Ca 0.02 0.39 0.10 0.00 -2.27 0.00 0.00 64.05 62.28 3cia n THR 310 Cb 0.24 -1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 67.13 3cia n THR 310 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3cia n VAL 311 N -1.56 0.00 -2.73 2.28 0.24 -1.19 -4.61 118.33 110.75 3cia n VAL 311 Ca 0.02 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 3cia n VAL 311 Cb 0.09 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 3cia n VAL 311 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3cia s VAL 312 N -2.89 4.43 -0.05 3.34 1.01 -0.85 -4.67 120.40 120.73 3cia s VAL 312 Ca 0.10 -1.83 0.03 0.00 0.00 0.00 0.00 61.98 60.28 3cia s VAL 312 Cb 0.17 -5.02 -0.25 0.00 0.00 0.00 0.00 36.38 31.27 3cia s VAL 312 CO 0.80 -1.81 0.64 0.00 0.00 0.00 0.00 175.10 174.73 3cia h ALA 313 N 8.11 0.53 0.00 5.51 0.00 -1.85 -3.49 119.26 128.06 3cia h ALA 313 Ca 0.31 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3cia h ALA 313 Cb 0.92 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3cia h ALA 313 CO 1.34 1.38 0.00 0.41 0.00 0.00 0.00 179.25 182.38 3cia n GLY 314 N 1.71 0.66 0.00 0.00 0.00 -1.26 -4.87 105.19 101.43 3cia n GLY 314 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3cia n GLY 314 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cia n ASP 315 N 0.00 0.65 -0.97 1.61 5.68 -1.26 -5.02 116.55 117.24 3cia n ASP 315 Ca 0.00 -1.09 -0.12 0.00 -0.50 0.00 0.00 54.79 53.09 3cia n ASP 315 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 3cia n ASP 315 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3cia n LYS 316 N -0.04 -0.83 0.11 0.11 5.02 -1.26 -4.95 118.16 116.31 3cia n LYS 316 Ca 0.00 0.83 -0.22 0.00 -2.02 0.00 0.00 58.31 56.91 3cia n LYS 316 Cb 0.15 -4.85 -0.13 0.00 -0.02 0.00 0.00 35.03 30.17 3cia n LYS 316 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3cia h SER 317 N 0.00 0.78 -0.36 4.39 4.64 -1.95 -3.31 113.55 117.75 3cia h SER 317 Ca -0.24 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.31 3cia h SER 317 Cb 0.84 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3cia h SER 317 CO 0.34 1.58 0.00 0.18 -0.87 0.00 0.00 176.83 178.06 3cia n LEU 318 N -3.73 3.00 0.27 5.97 7.99 -1.26 -4.42 117.00 124.81 3cia n LEU 318 Ca -0.13 -1.51 0.17 0.00 -0.01 0.00 0.00 56.01 54.53 3cia n LEU 318 Cb 1.02 -0.46 0.74 0.00 -0.11 0.00 0.00 43.42 44.61 3cia n LEU 318 CO 0.58 0.49 1.00 0.58 -1.51 0.00 0.00 177.39 178.54 3cia h VAL 319 N 2.27 0.00 0.00 4.08 2.07 -1.85 -2.73 116.25 120.09 3cia h VAL 319 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3cia h VAL 319 Cb 0.99 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3cia h VAL 319 CO 0.16 0.00 0.00 -0.55 0.02 0.00 0.00 177.57 177.20 3cia h ASN 320 N 0.00 0.00 -0.12 0.57 -1.07 -1.87 0.33 115.58 113.42 3cia h ASN 320 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 56.30 56.38 3cia h ASN 320 Cb 0.41 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.64 3cia h ASN 320 CO 0.00 0.00 0.03 0.25 0.07 0.00 0.00 177.43 177.78 3cia h LEU 321 N 0.00 0.02 -1.48 6.14 5.85 -1.86 0.44 115.31 124.41 3cia h LEU 321 Ca 0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3cia h LEU 321 Cb 0.05 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3cia h LEU 321 CO 0.00 0.03 -0.26 0.40 -0.34 0.00 0.00 178.44 178.27 3cia h ILE 322 N 0.08 1.01 -0.06 4.05 1.08 -1.16 -1.04 117.51 121.47 3cia h ILE 322 Ca 0.05 -0.96 -0.19 0.00 -0.39 0.00 0.00 64.86 63.37 3cia h ILE 322 Cb 0.04 1.54 -0.00 0.00 -3.07 0.00 0.00 36.82 35.33 3cia h ILE 322 CO -0.07 0.26 -0.76 0.00 -0.69 0.00 0.00 178.15 176.89 3cia h ALA 323 N 1.74 0.57 -0.09 1.87 0.00 -1.31 -1.70 119.26 120.33 3cia h ALA 323 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 3cia h ALA 323 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3cia h ALA 323 CO 0.03 0.78 -0.24 1.25 0.00 0.00 0.00 179.25 181.07 3cia h HIS 324 N 0.26 0.17 0.00 0.00 -0.00 0.10 -2.07 115.15 113.61 3cia h HIS 324 Ca -0.04 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.17 3cia h HIS 324 Cb 1.34 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.69 3cia h HIS 324 CO 0.04 0.39 -1.21 0.93 -0.00 0.00 0.00 177.93 178.09 3cia h GLU 325 N 0.15 0.00 0.00 5.26 4.39 -0.94 -3.08 114.58 120.36 3cia h GLU 325 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3cia h GLU 325 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3cia h GLU 325 CO 0.04 0.27 0.00 1.25 -1.16 0.00 0.00 179.01 179.41 3cia h LEU 326 N 0.00 0.00 -0.46 1.33 6.46 -1.13 -3.03 115.31 118.47 3cia h LEU 326 Ca -0.11 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.47 3cia h LEU 326 Cb 1.46 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.39 3cia h LEU 326 CO 0.04 0.00 -0.67 0.00 -0.62 0.00 0.00 178.44 177.19 3cia h ALA 327 N 2.13 0.65 -0.88 1.25 0.00 -1.29 -3.02 119.26 118.11 3cia h ALA 327 Ca 0.00 -0.57 0.12 0.00 0.00 0.00 0.00 54.91 54.46 3cia h ALA 327 Cb 0.76 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3cia h ALA 327 CO 0.00 0.74 0.57 0.45 0.00 0.00 0.00 179.25 181.00 3cia h HIS 328 N 0.31 0.86 -0.53 0.00 3.86 -1.53 -0.82 115.15 117.30 3cia h HIS 328 Ca -0.02 0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.37 3cia h HIS 328 Cb 1.22 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 3cia h HIS 328 CO 0.04 0.35 1.00 0.43 0.86 0.00 0.00 177.93 180.61 3cia n SER 329 N -4.55 0.00 -0.05 2.45 7.64 -1.14 -1.19 113.62 116.78 3cia n SER 329 Ca 0.16 0.57 -0.10 0.00 1.01 0.00 0.00 58.87 60.51 3cia n SER 329 Cb 0.40 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 3cia n SER 329 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3cia n TRP 330 N -2.69 0.00 -3.75 1.43 8.01 -0.35 -2.98 117.44 117.10 3cia n TRP 330 Ca 0.12 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.93 3cia n TRP 330 Cb 1.15 -0.38 -0.12 0.00 -2.01 0.00 0.00 31.31 29.96 3cia n TRP 330 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3cia s SER 331 N -5.70 5.31 0.00 -0.99 1.04 -0.33 -2.64 113.70 110.38 3cia s SER 331 Ca -0.14 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.03 3cia s SER 331 Cb 0.05 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.31 3cia s SER 331 CO 0.19 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3cia n GLY 332 N 4.79 0.65 1.84 7.32 0.00 0.05 -4.04 105.19 115.79 3cia n GLY 332 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3cia n GLY 332 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cia n ASN 333 N 0.00 0.00 0.08 1.61 4.13 -1.12 -4.78 115.26 115.19 3cia n ASN 333 Ca 0.00 0.08 -0.22 0.00 1.68 0.00 0.00 54.58 56.12 3cia n ASN 333 Cb 0.00 0.05 -0.15 0.00 -1.54 0.00 0.00 39.78 38.14 3cia n ASN 333 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3cia h LEU 334 N 0.00 0.61 -7.80 3.41 6.46 -1.59 -3.43 115.31 112.97 3cia h LEU 334 Ca 0.00 -0.93 -0.59 0.00 -0.12 0.00 0.00 57.88 56.25 3cia h LEU 334 Cb 0.14 -0.20 -0.37 0.00 -0.73 0.00 0.00 40.66 39.50 3cia h LEU 334 CO 0.00 1.57 -0.82 -0.69 -0.62 0.00 0.00 178.44 177.88 3cia s VAL 335 N -2.51 1.43 0.06 1.05 1.01 -1.08 0.10 120.40 120.46 3cia s VAL 335 Ca -0.13 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3cia s VAL 335 Cb 0.03 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3cia s VAL 335 CO 0.87 0.34 -0.25 0.42 0.00 0.00 0.00 175.10 176.47 3cia s THR 336 N 1.53 2.07 0.29 3.92 -4.23 -0.42 -0.77 115.64 118.03 3cia s THR 336 Ca 0.03 -1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 3cia s THR 336 Cb -0.14 -1.79 -0.11 0.00 1.34 0.00 0.00 72.50 71.80 3cia s THR 336 CO -0.09 0.29 1.57 0.54 -0.54 0.00 0.00 174.62 176.39 3cia s ASN 337 N -1.36 6.42 0.23 3.99 2.20 -1.26 -0.36 114.94 124.79 3cia s ASN 337 Ca 0.11 2.91 0.07 0.00 -0.94 0.00 0.00 52.86 55.01 3cia s ASN 337 Cb -0.10 -2.63 0.19 0.00 -2.00 0.00 0.00 41.25 36.71 3cia s ASN 337 CO 0.03 -0.88 1.51 1.05 -2.94 0.00 0.00 177.10 175.87 3cia h GLU 338 N 4.89 0.09 0.00 3.55 4.11 -1.39 -3.41 114.58 122.42 3cia h GLU 338 Ca -0.47 -0.08 -0.46 0.00 0.07 0.00 0.00 59.36 58.42 3cia h GLU 338 Cb 1.22 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 3cia h GLU 338 CO 0.79 0.76 -0.38 -1.13 0.07 0.00 0.00 179.01 179.13 3cia n SER 339 N -3.74 1.50 -0.60 3.06 3.41 -1.26 -3.44 113.62 112.55 3cia n SER 339 Ca -0.02 -2.75 0.08 0.00 -0.26 0.00 0.00 58.87 55.92 3cia n SER 339 Cb 0.69 0.74 0.26 0.00 -0.26 0.00 0.00 64.21 65.65 3cia n SER 339 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3cia n TRP 340 N -0.78 0.35 0.58 7.33 5.03 -1.26 -3.10 117.44 125.58 3cia n TRP 340 Ca -0.07 -0.17 0.11 0.00 3.03 0.00 0.00 57.50 60.40 3cia n TRP 340 Cb 0.50 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.76 3cia n TRP 340 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 3cia n ARG 341 N 0.43 0.28 -0.59 -0.99 1.74 -1.26 -3.93 116.66 112.33 3cia n ARG 341 Ca 0.14 -0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.29 3cia n ARG 341 Cb 0.31 -1.57 0.36 0.00 -1.02 0.00 0.00 32.46 30.54 3cia n ARG 341 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3cia n ASP 342 N -1.91 4.67 0.29 0.55 8.00 -1.18 -3.88 116.55 123.10 3cia n ASP 342 Ca 0.02 -2.39 0.18 0.00 0.71 0.00 0.00 54.79 53.31 3cia n ASP 342 Cb 0.43 -0.57 0.95 0.00 -0.02 0.00 0.00 41.12 41.91 3cia n ASP 342 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3cia h LEU 343 N 4.14 0.00 -0.86 0.64 7.12 -1.69 0.23 115.31 124.89 3cia h LEU 343 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3cia h LEU 343 Cb 1.40 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.53 3cia h LEU 343 CO 0.21 0.00 0.00 4.11 -0.13 0.00 0.00 178.44 182.63 3cia h TRP 344 N 0.00 0.00 0.00 1.25 5.08 -1.79 -2.50 115.95 117.98 3cia h TRP 344 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3cia h TRP 344 Cb 0.41 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 3cia h TRP 344 CO 0.00 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.44 3cia n LEU 345 N -3.03 0.59 -0.01 0.11 4.77 0.80 -0.49 117.00 119.73 3cia n LEU 345 Ca 0.02 0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 3cia n LEU 345 Cb 0.39 -0.46 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3cia n LEU 345 CO 0.29 -0.33 -0.07 -3.20 -1.33 0.00 0.00 177.39 172.75 3cia n ASN 346 N -2.10 0.31 -0.13 -1.43 5.15 -1.07 -4.09 115.26 111.91 3cia n ASN 346 Ca 0.04 0.25 -0.10 0.00 -0.60 0.00 0.00 54.58 54.17 3cia n ASN 346 Cb 0.31 -0.56 0.04 0.00 -0.53 0.00 0.00 39.78 39.04 3cia n ASN 346 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3cia h GLU 347 N -0.17 0.89 0.00 1.20 4.39 -1.47 -1.82 114.58 117.61 3cia h GLU 347 Ca 0.00 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3cia h GLU 347 Cb 0.11 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3cia h GLU 347 CO 0.00 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 179.29 3cia n GLY 348 N -0.16 -2.91 0.36 -3.84 0.00 0.35 -0.03 105.19 98.96 3cia n GLY 348 Ca 0.00 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3cia n GLY 348 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3cia h PHE 349 N 0.00 1.05 -0.09 1.61 -1.00 -1.68 -0.93 116.94 115.91 3cia h PHE 349 Ca 0.00 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 3cia h PHE 349 Cb 0.00 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.23 3cia h PHE 349 CO -0.23 0.28 -0.26 1.15 -1.61 0.00 0.00 178.31 177.63 3cia h THR 350 N 0.79 1.23 -0.05 -1.55 2.02 -1.08 -0.56 112.91 113.71 3cia h THR 350 Ca 0.56 -1.06 -0.17 0.00 0.77 0.00 0.00 66.41 66.50 3cia h THR 350 Cb 0.83 1.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3cia h THR 350 CO -0.34 0.32 -0.65 0.28 0.37 0.00 0.00 175.52 175.50 3cia h SER 351 N 0.14 0.65 0.03 4.18 0.02 0.55 -0.21 113.55 118.91 3cia h SER 351 Ca 0.02 -0.71 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 3cia h SER 351 Cb 0.54 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3cia h SER 351 CO 0.04 1.26 -0.02 0.22 -1.14 0.00 0.00 176.83 177.20 3cia h TYR 352 N 0.10 -0.04 -0.01 3.45 5.03 -1.05 -2.49 116.97 121.96 3cia h TYR 352 Ca -0.07 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 3cia h TYR 352 Cb 1.32 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 3cia h TYR 352 CO 0.12 0.00 -0.37 0.28 -1.32 0.00 0.00 178.16 176.88 3cia h VAL 353 N -0.07 1.27 -0.21 1.81 2.07 -1.16 -2.59 116.25 117.38 3cia h VAL 353 Ca -0.00 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3cia h VAL 353 Cb 0.06 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3cia h VAL 353 CO 0.01 0.37 0.11 -0.08 0.02 0.00 0.00 177.57 177.99 3cia h GLU 354 N 0.02 0.22 -0.20 1.57 4.81 -0.67 -2.32 114.58 118.01 3cia h GLU 354 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3cia h GLU 354 Cb 0.66 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3cia h GLU 354 CO 0.05 0.15 0.07 -0.97 -0.73 0.00 0.00 179.01 177.58 3cia h ASN 355 N 0.23 0.28 -0.44 1.04 -0.73 -1.19 -2.45 115.58 112.32 3cia h ASN 355 Ca 0.08 -0.18 0.08 0.00 1.87 0.00 0.00 56.30 58.15 3cia h ASN 355 Cb 0.01 -0.07 -0.08 0.00 0.27 0.00 0.00 38.32 38.45 3cia h ASN 355 CO -0.05 0.39 -0.04 0.03 -0.37 0.00 0.00 177.43 177.39 3cia h ARG 356 N 0.16 0.07 -0.01 6.67 2.47 -1.33 0.25 114.38 122.65 3cia h ARG 356 Ca 0.07 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3cia h ARG 356 Cb 0.20 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3cia h ARG 356 CO -0.00 0.04 0.01 0.82 0.56 0.00 0.00 179.97 181.40 3cia h ILE 357 N 0.07 0.87 -0.04 2.04 2.04 -1.26 -0.55 117.51 120.68 3cia h ILE 357 Ca 0.22 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.87 3cia h ILE 357 Cb 0.32 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3cia h ILE 357 CO -0.39 0.00 -0.82 0.24 0.00 0.00 0.00 178.15 177.18 3cia h MET 358 N 0.00 0.39 -0.17 2.37 2.86 -0.14 -2.82 114.93 117.42 3cia h MET 358 Ca 0.00 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 3cia h MET 358 Cb 0.01 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3cia h MET 358 CO -0.00 1.02 -0.09 1.49 1.06 0.00 0.00 176.91 180.39 3cia h GLU 359 N 0.25 0.36 -0.61 1.72 4.81 -0.02 -0.15 114.58 120.94 3cia h GLU 359 Ca -0.05 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3cia h GLU 359 Cb 1.43 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 3cia h GLU 359 CO 0.14 0.68 0.30 0.00 -0.73 0.00 0.00 179.01 179.41 3cia h ALA 360 N 0.67 0.79 0.00 2.92 0.00 -1.18 0.11 119.26 122.58 3cia h ALA 360 Ca 0.04 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 3cia h ALA 360 Cb 0.58 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3cia h ALA 360 CO 0.03 0.34 -2.04 1.33 0.00 0.00 0.00 179.25 178.91 3cia n VAL 361 N -4.52 1.52 0.24 0.00 0.24 -1.06 -4.56 118.33 110.17 3cia n VAL 361 Ca 0.04 -0.81 0.07 0.00 -2.04 0.00 0.00 64.34 61.60 3cia n VAL 361 Cb 0.12 -0.82 -0.10 0.00 -1.47 0.00 0.00 33.84 31.57 3cia n VAL 361 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3cia n PHE 362 N -2.94 0.00 0.00 6.34 3.01 -0.08 -5.10 117.46 118.69 3cia n PHE 362 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.21 3cia n PHE 362 Cb 1.10 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 40.36 3cia n PHE 362 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cia n GLY 363 N 1.56 2.54 0.06 1.37 0.00 0.40 -4.62 105.19 106.49 3cia n GLY 363 Ca -0.01 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.41 3cia n GLY 363 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cia n THR 364 N 1.21 1.03 0.09 2.61 -2.24 -1.26 -2.09 114.28 113.63 3cia n THR 364 Ca 0.00 0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.92 3cia n THR 364 Cb 0.00 -1.14 -0.14 0.00 -2.10 0.00 0.00 70.33 66.95 3cia n THR 364 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3cia h ASP 365 N 0.00 0.35 -0.38 3.42 3.45 -1.94 -1.77 116.42 119.56 3cia h ASP 365 Ca 0.00 -0.41 -0.14 0.00 0.43 0.00 0.00 57.03 56.91 3cia h ASP 365 Cb 0.25 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3cia h ASP 365 CO 0.00 1.33 -0.30 -0.09 -1.57 0.00 0.00 179.24 178.60 3cia h ARG 366 N 0.06 0.91 -0.61 3.56 9.65 -1.71 -3.05 114.38 123.19 3cia h ARG 366 Ca -0.15 -0.43 -0.04 0.00 -1.10 0.00 0.00 59.98 58.26 3cia h ARG 366 Cb 1.96 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.51 3cia h ARG 366 CO 0.18 1.08 0.22 0.00 2.80 0.00 0.00 179.97 184.25 3cia h ALA 367 N 0.88 0.80 0.00 2.80 0.00 -1.39 -2.81 119.26 119.55 3cia h ALA 367 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3cia h ALA 367 Cb 0.88 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3cia h ALA 367 CO 0.08 0.45 -0.81 1.33 0.00 0.00 0.00 179.25 180.29 3cia n VAL 368 N -4.42 0.03 0.35 0.00 0.24 -0.67 -2.57 118.33 111.29 3cia n VAL 368 Ca 0.04 -0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.43 3cia n VAL 368 Cb 0.19 0.54 0.43 0.00 -1.47 0.00 0.00 33.84 33.53 3cia n VAL 368 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3cia h MET 369 N 0.00 0.00 0.00 7.34 -1.53 -1.42 -2.48 114.93 116.83 3cia h MET 369 Ca 0.00 0.00 -0.21 0.00 -3.44 0.00 0.00 59.70 56.05 3cia h MET 369 Cb 0.55 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.56 3cia h MET 369 CO 0.00 0.00 -2.21 0.39 0.14 0.00 0.00 176.91 175.23 3cia n GLU 370 N -2.79 0.68 0.09 0.39 1.02 -1.07 -3.22 120.64 115.74 3cia n GLU 370 Ca 0.03 -0.09 -0.06 0.00 -0.02 0.00 0.00 57.16 57.02 3cia n GLU 370 Cb 0.39 -1.52 0.08 0.00 -0.02 0.00 0.00 31.44 30.37 3cia n GLU 370 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3cia h GLN 371 N 0.00 0.17 0.04 3.49 4.20 -1.29 -2.58 115.11 119.15 3cia h GLN 371 Ca -0.30 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 3cia h GLN 371 Cb 1.69 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.51 3cia h GLN 371 CO 0.02 0.81 -0.02 0.00 -0.67 0.00 0.00 178.83 178.97 3cia h ALA 372 N 1.14 -0.40 -0.91 3.87 0.00 -1.61 0.55 119.26 121.91 3cia h ALA 372 Ca -0.02 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.21 3cia h ALA 372 Cb 1.27 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 3cia h ALA 372 CO 0.11 -0.40 0.55 -0.11 0.00 0.00 0.00 179.25 179.40 3cia n LEU 373 N -2.33 0.20 -0.05 0.00 7.94 -1.20 0.42 117.00 121.98 3cia n LEU 373 Ca -0.01 1.11 -0.15 0.00 -1.11 0.00 0.00 56.01 55.85 3cia n LEU 373 Cb 0.02 -0.54 -0.13 0.00 0.53 0.00 0.00 43.42 43.30 3cia n LEU 373 CO 0.02 -1.22 0.32 1.23 -1.11 0.00 0.00 177.39 176.63 3cia h GLY 374 N 0.00 0.07 1.66 -3.96 0.00 -1.44 -3.32 103.07 96.09 3cia h GLY 374 Ca 0.64 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.84 3cia h GLY 374 CO -0.44 0.15 0.13 0.00 0.00 0.00 0.00 176.54 176.39 3cia h ALA 375 N 0.02 1.85 -0.07 3.60 0.00 0.23 -1.33 119.26 123.55 3cia h ALA 375 Ca -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3cia h ALA 375 Cb 1.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3cia h ALA 375 CO 0.03 -0.20 -0.17 1.96 0.00 0.00 0.00 179.25 180.87 3cia h GLN 376 N 0.00 0.11 0.12 0.00 4.20 -1.35 -2.83 115.11 115.37 3cia h GLN 376 Ca 0.07 -0.03 -0.28 0.00 0.06 0.00 0.00 58.65 58.47 3cia h GLN 376 Cb 0.33 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3cia h GLN 376 CO -0.00 0.29 -1.34 -0.44 -0.67 0.00 0.00 178.83 176.66 3cia h ASP 377 N 0.11 0.39 -0.36 1.46 5.19 -1.35 -2.29 116.42 119.56 3cia h ASP 377 Ca 0.02 -0.46 0.05 0.00 -0.62 0.00 0.00 57.03 56.02 3cia h ASP 377 Cb 0.37 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 3cia h ASP 377 CO 0.02 1.37 0.08 0.25 -3.12 0.00 0.00 179.24 177.85 3cia h LEU 378 N 0.07 0.04 -0.57 1.55 5.85 -1.43 0.53 115.31 121.35 3cia h LEU 378 Ca -0.17 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3cia h LEU 378 Cb 1.98 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 43.06 3cia h LEU 378 CO 0.19 0.06 0.16 0.78 -0.34 0.00 0.00 178.44 179.28 3cia h ASN 379 N 0.21 0.84 -0.67 1.25 2.35 -1.54 0.19 115.58 118.22 3cia h ASN 379 Ca 0.17 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3cia h ASN 379 Cb 0.19 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3cia h ASN 379 CO -0.21 0.84 0.11 0.00 -1.65 0.00 0.00 177.43 176.52 3cia h ALA 380 N 1.03 0.88 -0.36 -0.83 0.00 -0.70 -2.93 119.26 116.35 3cia h ALA 380 Ca 0.18 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3cia h ALA 380 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cia h ALA 380 CO -0.00 0.65 -0.26 0.93 0.00 0.00 0.00 179.25 180.56 3cia h GLU 381 N 1.02 0.82 -0.93 0.00 5.08 0.37 -2.92 114.58 118.01 3cia h GLU 381 Ca 0.20 -0.39 0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3cia h GLU 381 Cb 0.44 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 3cia h GLU 381 CO 0.01 1.03 0.59 0.82 -1.00 0.00 0.00 179.01 180.46 3cia h ILE 382 N 0.61 0.81 -0.18 3.13 1.08 -0.60 0.07 117.51 122.43 3cia h ILE 382 Ca 0.07 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 3cia h ILE 382 Cb 0.83 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3cia h ILE 382 CO 0.07 0.13 0.03 -0.07 -0.69 0.00 0.00 178.15 177.62 3cia h LEU 383 N 0.72 0.28 -0.27 1.44 4.07 -1.39 -2.87 115.31 117.29 3cia h LEU 383 Ca 0.48 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 58.19 3cia h LEU 383 Cb 0.77 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3cia h LEU 383 CO -0.24 0.47 -0.00 -0.62 -1.08 0.00 0.00 178.44 176.97 3cia n GLU 384 N -4.77 1.18 -4.02 1.13 4.71 -0.90 -4.88 120.64 113.08 3cia n GLU 384 Ca -0.05 -0.27 -0.27 0.00 -0.01 0.00 0.00 57.16 56.56 3cia n GLU 384 Cb 0.18 -1.49 -0.05 0.00 -1.01 0.00 0.00 31.44 29.07 3cia n GLU 384 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3cia s LEU 385 N -2.01 4.02 0.06 -4.62 2.96 -0.04 -5.06 118.68 114.00 3cia s LEU 385 Ca 0.45 0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 54.06 3cia s LEU 385 Cb 0.22 -2.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.22 3cia s LEU 385 CO 0.36 0.08 1.35 -0.62 -1.32 0.00 0.00 176.35 176.20 3cia s ASP 386 N -3.05 6.89 -0.21 3.68 -1.08 -1.26 -4.87 116.67 116.77 3cia s ASP 386 Ca 0.32 2.18 -0.03 0.00 -0.52 0.00 0.00 52.55 54.50 3cia s ASP 386 Cb -0.11 -2.58 -0.11 0.00 -1.46 0.00 0.00 42.92 38.67 3cia s ASP 386 CO 0.25 -0.64 2.00 0.00 0.52 0.00 0.00 175.17 177.31 3cia n ALA 387 N 4.44 3.76 0.00 3.66 0.00 -1.26 -1.34 120.51 129.76 3cia n ALA 387 Ca 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3cia n ALA 387 Cb 0.44 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3cia n ALA 387 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3cia n SER 388 N 3.16 0.00 0.14 0.00 2.88 -1.26 -4.80 113.62 113.74 3cia n SER 388 Ca 0.25 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 3cia n SER 388 Cb 0.36 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.02 3cia n SER 388 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3cia h ASP 389 N 0.00 0.00 0.00 -3.46 3.32 -1.57 -3.19 116.42 111.52 3cia h ASP 389 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3cia h ASP 389 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3cia h ASP 389 CO 0.00 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 177.89 3cia n THR 390 N -2.62 0.00 -2.77 0.35 -2.24 -1.20 -4.77 114.28 101.03 3cia n THR 390 Ca 0.03 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.49 3cia n THR 390 Cb 0.49 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 3cia n THR 390 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3cia s GLN 391 N -2.00 4.02 -0.11 -0.78 -0.21 -1.21 -4.15 119.66 115.23 3cia s GLN 391 Ca 0.39 0.87 -0.28 0.00 0.02 0.00 0.00 55.36 56.36 3cia s GLN 391 Cb 0.18 -2.26 -0.25 0.00 1.00 0.00 0.00 33.01 31.69 3cia s GLN 391 CO 0.30 -0.06 0.88 1.25 -2.12 0.00 0.00 175.29 175.54 3cia h LEU 392 N 1.59 0.00 -6.13 2.90 5.85 -1.61 -3.30 115.31 114.61 3cia h LEU 392 Ca -0.48 -0.89 -0.74 0.00 0.84 0.00 0.00 57.88 56.62 3cia h LEU 392 Cb 1.18 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 3cia h LEU 392 CO 0.63 0.89 2.49 0.00 -0.34 0.00 0.00 178.44 182.10 3cia n TYR 393 N -4.66 3.01 -1.84 1.25 9.36 0.45 -4.51 117.16 120.22 3cia n TYR 393 Ca -0.10 -2.86 -0.41 0.00 3.32 0.00 0.00 57.90 57.86 3cia n TYR 393 Cb 0.43 -2.13 -0.00 0.00 -0.63 0.00 0.00 39.34 37.01 3cia n TYR 393 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3cia s ILE 394 N 1.05 2.14 -0.08 2.97 2.07 -1.25 -4.93 121.20 123.16 3cia s ILE 394 Ca 0.45 0.13 -0.21 0.00 -1.41 0.00 0.00 60.65 59.62 3cia s ILE 394 Cb 0.12 -3.08 -0.04 0.00 0.13 0.00 0.00 42.46 39.59 3cia s ILE 394 CO -0.04 0.03 0.59 -0.62 -1.91 0.00 0.00 174.94 173.00 3cia s ASP 395 N -0.26 6.86 0.39 4.50 2.15 -1.26 -4.64 116.67 124.41 3cia s ASP 395 Ca 0.54 1.02 0.22 0.00 0.43 0.00 0.00 52.55 54.76 3cia s ASP 395 Cb -0.45 -2.35 0.26 0.00 -0.30 0.00 0.00 42.92 40.08 3cia s ASP 395 CO 0.61 -0.04 1.50 -0.07 -0.17 0.00 0.00 175.17 177.00 3cia h LEU 396 N 6.62 0.00 0.40 -1.34 3.38 -1.95 -3.48 115.31 118.95 3cia h LEU 396 Ca -0.41 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.38 3cia h LEU 396 Cb 1.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 3cia h LEU 396 CO 0.75 0.05 -0.16 0.29 0.09 0.00 0.00 178.44 179.46 3cia n LYS 397 N -3.05 -1.29 -0.75 1.13 5.02 -1.26 -1.34 118.16 116.62 3cia n LYS 397 Ca 0.03 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 3cia n LYS 397 Cb 0.55 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.67 3cia n LYS 397 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cia n GLY 398 N -0.54 0.62 3.55 0.72 0.00 -1.26 -5.06 105.19 103.22 3cia n GLY 398 Ca -0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3cia n GLY 398 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cia n ARG 399 N -2.75 -2.22 -2.78 1.61 1.74 -0.45 -5.01 116.66 106.80 3cia n ARG 399 Ca 0.00 -1.83 -0.42 0.00 -0.77 0.00 0.00 57.85 54.83 3cia n ARG 399 Cb 0.00 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 3cia n ARG 399 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3cia s ASP 400 N -4.99 7.29 0.00 0.55 3.68 -1.26 -4.91 116.67 117.03 3cia s ASP 400 Ca 0.71 1.56 0.00 0.00 2.13 0.00 0.00 52.55 56.95 3cia s ASP 400 Cb -0.04 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 3cia s ASP 400 CO 0.52 -0.24 0.77 -2.65 0.13 0.00 0.00 175.17 173.70 3cia n PRO 401 N 3.91 0.00 -0.10 4.34 -0.02 -1.26 -0.92 135.00 140.94 3cia n PRO 401 Ca 0.05 0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.61 3cia n PRO 401 Cb 0.51 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.18 3cia n PRO 401 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3cia n ASP 402 N -1.27 2.01 0.42 2.55 8.00 -1.26 -4.43 116.55 122.56 3cia n ASP 402 Ca 0.00 0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.31 3cia n ASP 402 Cb 0.19 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.61 3cia n ASP 402 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3cia h ASP 403 N -0.14 -1.24 -0.42 -2.24 3.58 -1.42 -3.29 116.42 111.25 3cia h ASP 403 Ca -0.55 0.07 -0.35 0.00 0.42 0.00 0.00 57.03 56.62 3cia h ASP 403 Cb 1.88 0.36 -0.03 0.00 1.72 0.00 0.00 39.33 43.26 3cia h ASP 403 CO -0.09 -0.74 1.15 0.00 -2.88 0.00 0.00 179.24 176.67 3cia n ALA 404 N -2.73 1.90 -3.67 -0.78 0.00 -0.44 -4.82 120.51 109.97 3cia n ALA 404 Ca -0.15 -3.03 -0.08 0.00 0.00 0.00 0.00 53.44 50.18 3cia n ALA 404 Cb 0.50 -3.49 -0.09 0.00 0.00 0.00 0.00 19.45 16.37 3cia n ALA 404 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3cia s PHE 405 N 10.72 -0.84 0.00 0.00 2.19 -1.24 -4.84 117.98 123.97 3cia s PHE 405 Ca 0.68 1.70 0.00 0.00 0.33 0.00 0.00 56.93 59.63 3cia s PHE 405 Cb 0.00 0.44 0.00 0.00 -1.31 0.00 0.00 43.02 42.16 3cia s PHE 405 CO 0.14 -0.45 0.00 -1.13 1.83 0.00 0.00 175.22 175.61 3cia n SER 406 N 4.47 0.00 -0.00 6.13 3.41 -1.26 -5.03 113.62 121.33 3cia n SER 406 Ca -0.20 -0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.44 3cia n SER 406 Cb 0.56 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 3cia n SER 406 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cia n GLY 407 N 0.00 -1.02 0.10 5.00 0.00 -1.26 -4.67 105.19 103.35 3cia n GLY 407 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 3cia n GLY 407 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cia n VAL 408 N -1.93 -0.17 -0.13 1.61 0.31 -1.26 -2.00 118.33 114.76 3cia n VAL 408 Ca -0.00 1.51 0.14 0.00 -0.01 0.00 0.00 64.34 65.98 3cia n VAL 408 Cb 0.46 -1.95 0.51 0.00 -0.91 0.00 0.00 33.84 31.95 3cia n VAL 408 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3cia h PRO 409 N 0.00 0.39 0.36 5.55 0.13 -1.89 -0.31 132.00 136.23 3cia h PRO 409 Ca 0.04 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 3cia h PRO 409 Cb 0.10 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.15 3cia h PRO 409 CO -0.23 0.26 -0.17 1.88 -0.23 0.00 0.00 178.00 179.50 3cia h TYR 410 N 0.40 -0.44 -0.06 1.56 -1.99 -1.62 -2.06 116.97 112.76 3cia h TYR 410 Ca 0.34 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.93 3cia h TYR 410 Cb 0.75 0.15 0.01 0.00 2.00 0.00 0.00 36.73 39.63 3cia h TYR 410 CO -0.00 -0.28 -0.45 0.28 -0.00 0.00 0.00 178.16 177.72 3cia h VAL 411 N -0.64 1.41 0.00 -2.88 2.07 -1.48 -0.66 116.25 114.07 3cia h VAL 411 Ca -0.05 -1.85 -0.09 0.00 0.82 0.00 0.00 66.70 65.52 3cia h VAL 411 Cb 0.37 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3cia h VAL 411 CO 0.08 0.54 -0.45 0.50 0.02 0.00 0.00 177.57 178.27 3cia h LYS 412 N -0.06 0.00 0.00 1.57 3.64 -1.25 0.51 116.57 120.98 3cia h LYS 412 Ca -0.04 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3cia h LYS 412 Cb 1.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3cia h LYS 412 CO 0.09 0.45 -0.62 0.78 -2.27 0.00 0.00 179.45 177.88 3cia h GLY 413 N 1.80 0.00 0.54 5.01 0.00 -1.41 -1.99 103.07 107.01 3cia h GLY 413 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3cia h GLY 413 CO 0.06 0.00 -0.15 -1.61 0.00 0.00 0.00 176.54 174.84 3cia h GLN 414 N 0.00 0.18 -0.35 4.80 4.15 -0.78 -3.01 115.11 120.10 3cia h GLN 414 Ca -0.01 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 3cia h GLN 414 Cb 1.45 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.15 3cia h GLN 414 CO 0.08 0.76 0.12 -0.07 -1.93 0.00 0.00 178.83 177.79 3cia h LEU 415 N -0.37 0.44 -0.29 -2.39 3.38 -0.95 0.43 115.31 115.56 3cia h LEU 415 Ca -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3cia h LEU 415 Cb 0.78 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3cia h LEU 415 CO 0.03 0.42 0.18 0.15 0.09 0.00 0.00 178.44 179.31 3cia h PHE 416 N 0.49 0.37 0.00 1.13 3.57 -1.41 0.00 116.94 121.09 3cia h PHE 416 Ca 0.12 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 3cia h PHE 416 Cb 0.13 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3cia h PHE 416 CO 0.00 0.27 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.62 3cia h LEU 417 N 0.37 0.00 -1.64 0.59 3.38 -1.20 -2.57 115.31 114.23 3cia h LEU 417 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3cia h LEU 417 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3cia h LEU 417 CO -0.02 0.66 -0.18 0.24 0.09 0.00 0.00 178.44 179.23 3cia h MET 418 N 0.00 0.00 -0.11 1.13 2.86 0.12 -0.32 114.93 118.61 3cia h MET 418 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3cia h MET 418 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 3cia h MET 418 CO 0.09 0.18 -0.42 -0.92 1.06 0.00 0.00 176.91 176.89 3cia h TYR 419 N 0.00 0.63 0.00 -0.22 3.20 -0.60 -2.19 116.97 117.79 3cia h TYR 419 Ca -0.00 -0.27 -0.09 0.00 3.14 0.00 0.00 58.73 61.51 3cia h TYR 419 Cb 0.47 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3cia h TYR 419 CO 0.00 1.03 -0.44 -0.07 -1.64 0.00 0.00 178.16 177.03 3cia h LEU 420 N 0.06 0.00 0.56 2.82 3.38 -1.26 -1.39 115.31 119.48 3cia h LEU 420 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3cia h LEU 420 Cb 1.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.82 3cia h LEU 420 CO 0.09 0.44 -0.27 -0.08 0.09 0.00 0.00 178.44 178.71 3cia h GLU 421 N 0.00 -0.73 -0.87 1.13 4.81 -0.96 -1.52 114.58 116.45 3cia h GLU 421 Ca -0.00 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.47 3cia h GLU 421 Cb 0.91 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 3cia h GLU 421 CO 0.06 -0.49 0.58 0.93 -0.73 0.00 0.00 179.01 179.36 3cia h GLU 422 N -0.91 0.36 -0.16 1.92 5.08 -1.30 2.00 114.58 121.57 3cia h GLU 422 Ca -0.08 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 3cia h GLU 422 Cb 0.58 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3cia h GLU 422 CO 0.13 0.24 -0.60 0.87 -1.00 0.00 0.00 179.01 178.64 3cia h LYS 423 N 0.37 0.52 0.00 2.33 1.79 -1.12 -3.37 116.57 117.09 3cia h LYS 423 Ca 0.45 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 3cia h LYS 423 Cb 1.16 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 3cia h LYS 423 CO -0.15 0.97 -1.35 1.19 -1.08 0.00 0.00 179.45 179.02 3cia n PHE 424 N -3.93 0.00 0.00 -1.35 3.01 -0.43 -5.00 117.46 109.77 3cia n PHE 424 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3cia n PHE 424 Cb 0.63 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 3cia n PHE 424 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cia n GLY 425 N 2.26 0.90 0.16 1.37 0.00 0.67 -4.44 105.19 106.11 3cia n GLY 425 Ca -0.04 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 3cia n GLY 425 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cia h ARG 426 N 0.00 0.45 -0.75 1.61 2.47 -1.95 0.27 114.38 116.48 3cia h ARG 426 Ca 0.00 -0.27 0.07 0.00 -1.26 0.00 0.00 59.98 58.52 3cia h ARG 426 Cb 0.00 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.25 3cia h ARG 426 CO 0.00 0.86 -0.51 1.49 0.56 0.00 0.00 179.97 182.38 3cia h GLU 427 N 0.09 -0.08 -0.04 0.04 4.57 -1.96 1.05 114.58 118.25 3cia h GLU 427 Ca 0.02 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3cia h GLU 427 Cb 0.82 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 3cia h GLU 427 CO 0.06 -0.05 -0.16 0.00 -1.18 0.00 0.00 179.01 177.67 3cia h ARG 428 N -0.08 0.18 0.37 1.92 -0.00 -1.77 -2.38 114.38 112.62 3cia h ARG 428 Ca 0.12 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 3cia h ARG 428 Cb 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.39 3cia h ARG 428 CO -0.75 0.78 -0.21 0.35 0.00 0.00 0.00 179.97 180.14 3cia h PHE 429 N -0.37 -0.56 -0.15 3.04 3.57 -0.20 -2.64 116.94 119.64 3cia h PHE 429 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3cia h PHE 429 Cb 0.80 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3cia h PHE 429 CO 0.14 -0.33 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.41 3cia h ASP 430 N -0.55 0.19 -0.30 0.41 5.19 0.11 0.13 116.42 121.60 3cia h ASP 430 Ca -0.04 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.30 3cia h ASP 430 Cb 0.45 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 3cia h ASP 430 CO 0.05 0.27 0.01 0.00 -3.12 0.00 0.00 179.24 176.44 3cia h ALA 431 N 1.76 0.40 0.87 3.45 0.00 -1.41 -0.75 119.26 123.58 3cia h ALA 431 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3cia h ALA 431 Cb 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3cia h ALA 431 CO 0.01 0.14 -0.42 0.35 0.00 0.00 0.00 179.25 179.33 3cia h PHE 432 N 0.32 -1.08 -1.00 0.00 3.57 -0.96 -0.55 116.94 117.23 3cia h PHE 432 Ca 0.09 -0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.75 3cia h PHE 432 Cb 0.42 0.36 -0.11 0.00 2.79 0.00 0.00 35.95 39.42 3cia h PHE 432 CO 0.03 -0.67 0.61 0.28 -2.23 0.00 0.00 178.31 176.33 3cia h VAL 433 N -1.18 0.72 -0.21 1.41 2.07 -0.79 0.47 116.25 118.75 3cia h VAL 433 Ca -0.12 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3cia h VAL 433 Cb 0.89 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3cia h VAL 433 CO 0.20 0.14 0.12 0.25 0.02 0.00 0.00 177.57 178.30 3cia h LEU 434 N 0.78 0.26 -1.14 2.57 5.85 -0.86 -2.50 115.31 120.27 3cia h LEU 434 Ca 0.58 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.21 3cia h LEU 434 Cb 0.88 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3cia h LEU 434 CO -0.38 0.24 0.29 -0.33 -0.34 0.00 0.00 178.44 177.92 3cia h GLU 435 N 0.25 0.89 -0.25 1.25 5.08 0.94 -1.08 114.58 121.66 3cia h GLU 435 Ca 0.08 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3cia h GLU 435 Cb 0.04 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 3cia h GLU 435 CO -0.01 0.70 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.71 3cia h TYR 436 N 0.89 -0.14 -0.53 4.33 3.20 0.00 0.29 116.97 125.02 3cia h TYR 436 Ca 0.22 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 3cia h TYR 436 Cb 0.11 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3cia h TYR 436 CO 0.01 -0.11 -0.14 0.74 -1.64 0.00 0.00 178.16 177.02 3cia h PHE 437 N -0.00 1.16 -0.51 -3.82 0.05 -1.08 -2.89 116.94 109.85 3cia h PHE 437 Ca 0.12 -0.25 -0.02 0.00 3.82 0.00 0.00 57.97 61.64 3cia h PHE 437 Cb 0.19 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 37.83 3cia h PHE 437 CO -0.26 1.08 0.25 -0.44 -0.18 0.00 0.00 178.31 178.77 3cia h ASP 438 N 0.90 0.66 1.06 2.17 3.32 -0.83 -2.89 116.42 120.80 3cia h ASP 438 Ca 0.13 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3cia h ASP 438 Cb 0.72 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3cia h ASP 438 CO 0.06 0.59 0.00 0.77 -1.72 0.00 0.00 179.24 178.94 3cia h SER 439 N 0.68 0.00 -0.18 6.45 4.64 -0.43 -3.03 113.55 121.68 3cia h SER 439 Ca 0.18 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 3cia h SER 439 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3cia h SER 439 CO -0.02 0.00 -0.09 1.41 -0.87 0.00 0.00 176.83 177.25 3cia n HIS 440 N -3.05 0.60 -1.62 4.77 8.25 -1.09 -5.02 115.22 118.05 3cia n HIS 440 Ca 0.01 -1.21 -0.51 0.00 -0.26 0.00 0.00 57.72 55.75 3cia n HIS 440 Cb 0.31 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 3cia n HIS 440 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cia n ALA 441 N -1.02 0.75 -3.08 -1.41 0.00 -1.10 -1.32 120.51 113.33 3cia n ALA 441 Ca 0.23 0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 3cia n ALA 441 Cb 0.84 -2.48 0.04 0.00 0.00 0.00 0.00 19.45 17.85 3cia n ALA 441 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3cia n PHE 442 N 7.58 -2.04 -4.62 0.00 3.72 0.28 -5.01 117.46 117.38 3cia n PHE 442 Ca 0.29 0.58 -0.32 0.00 -0.05 0.00 0.00 57.45 57.96 3cia n PHE 442 Cb 0.25 -4.46 -0.07 0.00 -0.94 0.00 0.00 39.48 34.26 3cia n PHE 442 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3cia s GLN 443 N -5.76 2.20 0.16 -1.08 -0.21 -0.43 -5.00 119.66 109.54 3cia s GLN 443 Ca 0.34 -2.34 0.10 0.00 0.02 0.00 0.00 55.36 53.48 3cia s GLN 443 Cb -0.15 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.19 3cia s GLN 443 CO 0.42 -0.40 -0.17 0.45 -2.12 0.00 0.00 175.29 173.47 3cia s SER 444 N -3.94 3.86 -0.10 5.90 0.15 -1.25 -1.30 113.70 117.01 3cia s SER 444 Ca 0.10 -0.66 -0.17 0.00 0.70 0.00 0.00 55.95 55.93 3cia s SER 444 Cb 0.01 -0.51 0.04 0.00 -1.71 0.00 0.00 66.02 63.85 3cia s SER 444 CO 0.06 0.14 0.42 -0.22 1.20 0.00 0.00 173.24 174.83 3cia s LEU 445 N -2.52 0.42 0.22 3.45 2.96 0.52 -4.86 118.68 118.87 3cia s LEU 445 Ca 0.21 0.60 0.08 0.00 -0.22 0.00 0.00 54.13 54.80 3cia s LEU 445 Cb -0.09 1.52 -0.04 0.00 0.50 0.00 0.00 46.19 48.07 3cia s LEU 445 CO 0.12 -0.29 0.02 -0.83 -1.32 0.00 0.00 176.35 174.05 3cia s GLY 446 N -0.43 1.65 0.16 7.98 0.00 -1.26 -1.12 107.32 114.30 3cia s GLY 446 Ca -0.06 -1.49 -0.20 0.00 0.00 0.00 0.00 44.72 42.97 3cia s GLY 446 CO 0.03 -1.53 1.63 -0.84 0.00 0.00 0.00 173.10 172.39 3cia h THR 447 N 2.10 0.42 -0.86 0.90 2.02 -1.91 -1.00 112.91 114.57 3cia h THR 447 Ca -0.46 0.00 0.17 0.00 0.77 0.00 0.00 66.41 66.89 3cia h THR 447 Cb 1.23 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 3cia h THR 447 CO 0.59 0.00 0.56 0.44 0.37 0.00 0.00 175.52 177.49 3cia h ASP 448 N -0.17 0.49 0.67 4.18 3.45 -2.00 -1.20 116.42 121.84 3cia h ASP 448 Ca 0.17 0.04 -0.27 0.00 0.43 0.00 0.00 57.03 57.40 3cia h ASP 448 Cb 0.43 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 3cia h ASP 448 CO -0.43 0.23 -1.32 0.78 -1.57 0.00 0.00 179.24 176.93 3cia h ASN 449 N 0.51 0.24 -0.47 6.45 2.35 -1.68 -2.99 115.58 119.98 3cia h ASN 449 Ca 0.44 -0.29 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 3cia h ASN 449 Cb 0.93 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 39.16 3cia h ASN 449 CO -0.18 1.24 0.08 0.15 -1.65 0.00 0.00 177.43 177.07 3cia h PHE 450 N 0.04 0.12 0.05 1.19 3.57 -0.03 -1.37 116.94 120.51 3cia h PHE 450 Ca -0.15 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.41 3cia h PHE 450 Cb 1.93 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.65 3cia h PHE 450 CO 0.04 -0.02 -0.25 0.28 -2.23 0.00 0.00 178.31 176.12 3cia h VAL 451 N 0.21 0.43 -0.64 1.41 2.07 -1.41 0.27 116.25 118.59 3cia h VAL 451 Ca 0.23 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.89 3cia h VAL 451 Cb 0.31 0.43 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 3cia h VAL 451 CO -0.32 0.00 -0.11 0.50 0.02 0.00 0.00 177.57 177.66 3cia h LYS 452 N -0.42 0.03 -0.13 1.57 1.63 -1.28 0.72 116.57 118.69 3cia h LYS 452 Ca 0.05 -0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.71 3cia h LYS 452 Cb 0.48 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 3cia h LYS 452 CO -0.19 0.02 -0.50 -0.92 -3.45 0.00 0.00 179.45 174.42 3cia h TYR 453 N 0.03 0.43 0.00 1.91 3.20 -0.84 -0.73 116.97 120.98 3cia h TYR 453 Ca 0.32 -0.14 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 3cia h TYR 453 Cb 0.51 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3cia h TYR 453 CO -0.47 0.78 -0.49 1.25 -1.64 0.00 0.00 178.16 177.59 3cia h LEU 454 N 0.28 0.00 0.00 2.82 6.46 0.75 -0.62 115.31 125.00 3cia h LEU 454 Ca 0.01 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 3cia h LEU 454 Cb 0.98 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 3cia h LEU 454 CO 0.08 0.49 -0.40 0.11 -0.62 0.00 0.00 178.44 178.10 3cia h LYS 455 N 0.00 0.00 0.00 1.25 1.57 -0.71 -1.88 116.57 116.80 3cia h LYS 455 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cia h LYS 455 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3cia h LYS 455 CO 0.06 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.77 3cia h ALA 456 N -0.32 1.00 0.00 3.86 0.00 -1.10 0.51 119.26 123.21 3cia h ALA 456 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cia h ALA 456 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3cia h ALA 456 CO -0.06 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.28 3cia n ASN 457 N -3.03 1.26 0.00 0.00 3.02 -0.24 -4.41 115.26 111.86 3cia n ASN 457 Ca -0.01 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 3cia n ASN 457 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3cia n ASN 457 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3cia n LEU 458 N -0.13 0.00 0.34 3.41 0.00 -1.09 -4.73 117.00 114.80 3cia n LEU 458 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 56.01 56.23 3cia n LEU 458 Cb 0.07 0.03 1.18 0.00 0.00 0.00 0.00 43.42 44.69 3cia n LEU 458 CO 0.00 -0.08 1.18 0.74 0.00 0.00 0.00 177.39 179.23 3cia h THR 459 N 0.00 0.01 0.00 1.96 2.02 -1.33 0.11 112.91 115.68 3cia h THR 459 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3cia h THR 459 Cb 0.00 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3cia h THR 459 CO 0.00 0.00 -1.08 0.47 0.37 0.00 0.00 175.52 175.28 3cia n ASP 460 N -3.07 3.36 -0.02 4.18 9.92 0.18 -4.01 116.55 127.08 3cia n ASP 460 Ca -0.03 -0.09 -0.16 0.00 -0.53 0.00 0.00 54.79 53.98 3cia n ASP 460 Cb 0.11 1.19 -0.09 0.00 -0.64 0.00 0.00 41.12 41.69 3cia n ASP 460 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3cia h LYS 461 N 0.00 0.47 -3.21 -1.24 3.64 -1.18 -3.32 116.57 111.72 3cia h LYS 461 Ca 0.00 -0.40 -0.65 0.00 -1.27 0.00 0.00 60.65 58.33 3cia h LYS 461 Cb 0.21 0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 31.72 3cia h LYS 461 CO 0.00 1.04 -0.45 0.71 -2.27 0.00 0.00 179.45 178.48 3cia s TYR 462 N -3.57 3.60 0.67 1.91 2.02 0.24 -5.00 117.35 117.22 3cia s TYR 462 Ca -0.13 -3.21 -0.14 0.00 -0.37 0.00 0.00 57.07 53.22 3cia s TYR 462 Cb 0.05 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.72 3cia s TYR 462 CO 0.82 -0.63 1.09 -1.25 -1.57 0.00 0.00 175.55 174.01 3cia s PRO 463 N -1.21 2.83 -0.90 -1.71 0.04 -1.25 -4.11 135.00 128.69 3cia s PRO 463 Ca 0.24 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3cia s PRO 463 Cb -0.09 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3cia s PRO 463 CO -0.13 -1.21 0.00 0.09 0.04 0.00 0.00 177.00 175.79 3cia n ASN 464 N -2.56 -4.16 -0.08 6.66 4.13 -1.26 -4.89 115.26 113.12 3cia n ASN 464 Ca 0.10 0.21 -0.14 0.00 1.68 0.00 0.00 54.58 56.42 3cia n ASN 464 Cb 0.52 -2.40 -0.05 0.00 -1.54 0.00 0.00 39.78 36.31 3cia n ASN 464 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3cia n ILE 465 N -2.71 1.21 -5.08 2.41 -0.00 -1.26 -4.98 119.36 108.95 3cia n ILE 465 Ca -0.08 -0.06 -0.32 0.00 -0.00 0.00 0.00 62.75 62.29 3cia n ILE 465 Cb 0.30 -1.91 -0.15 0.00 -0.00 0.00 0.00 39.64 37.88 3cia n ILE 465 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3cia s VAL 466 N -2.47 2.51 0.03 1.39 1.01 -1.26 -5.11 120.40 116.50 3cia s VAL 466 Ca -0.24 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 3cia s VAL 466 Cb 0.07 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3cia s VAL 466 CO 0.32 0.57 0.16 -0.94 0.00 0.00 0.00 175.10 175.21 3cia s SER 467 N -0.29 6.11 0.00 3.32 1.04 -1.26 -4.92 113.70 117.69 3cia s SER 467 Ca 0.01 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.67 3cia s SER 467 Cb -0.13 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.16 3cia s SER 467 CO 0.03 0.22 0.49 0.47 0.98 0.00 0.00 173.24 175.43 3cia n ASP 468 N 0.68 0.00 -0.01 7.02 10.43 -1.26 0.78 116.55 134.20 3cia n ASP 468 Ca -0.09 0.07 -0.06 0.00 2.57 0.00 0.00 54.79 57.28 3cia n ASP 468 Cb 0.52 -0.07 -0.12 0.00 1.84 0.00 0.00 41.12 43.28 3cia n ASP 468 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3cia n ASN 469 N -0.99 0.88 0.03 -2.24 4.13 -1.26 -1.87 115.26 113.93 3cia n ASN 469 Ca 0.00 0.41 -0.08 0.00 1.68 0.00 0.00 54.58 56.59 3cia n ASN 469 Cb 0.02 -0.01 -0.13 0.00 -1.54 0.00 0.00 39.78 38.12 3cia n ASN 469 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3cia h GLU 470 N 0.00 0.01 0.23 3.52 5.08 -0.03 -1.96 114.58 121.43 3cia h GLU 470 Ca -0.25 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3cia h GLU 470 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 3cia h GLU 470 CO 0.07 0.81 -0.11 0.82 -1.00 0.00 0.00 179.01 179.60 3cia h ILE 471 N 0.00 0.77 -0.43 3.13 2.04 -1.51 -1.42 117.51 120.09 3cia h ILE 471 Ca -0.12 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3cia h ILE 471 Cb 1.87 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 3cia h ILE 471 CO 0.11 0.17 0.24 0.78 0.00 0.00 0.00 178.15 179.45 3cia h ASN 472 N -0.81 0.52 -0.09 1.72 2.35 -1.46 -2.51 115.58 115.30 3cia h ASN 472 Ca -0.03 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3cia h ASN 472 Cb 0.51 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3cia h ASN 472 CO 0.05 0.42 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.09 3cia h GLU 473 N 0.60 0.20 -0.42 0.81 4.57 -1.39 -1.82 114.58 117.13 3cia h GLU 473 Ca 0.16 -0.10 0.09 0.00 -1.18 0.00 0.00 59.36 58.32 3cia h GLU 473 Cb 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.51 3cia h GLU 473 CO -0.03 0.62 -0.21 -1.49 -1.18 0.00 0.00 179.01 176.72 3cia h TRP 474 N -0.21 -0.55 0.00 0.92 4.06 -0.91 -2.89 115.95 116.37 3cia h TRP 474 Ca 0.01 0.05 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3cia h TRP 474 Cb 0.58 0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 29.04 3cia h TRP 474 CO 0.09 -0.30 -1.02 -0.84 -3.56 0.00 0.00 178.44 172.81 3cia h ILE 475 N -0.13 0.04 0.00 1.49 3.07 -1.48 -3.41 117.51 117.08 3cia h ILE 475 Ca 0.20 -1.08 -0.06 0.00 1.55 0.00 0.00 64.86 65.47 3cia h ILE 475 Cb 0.45 1.55 -0.01 0.00 -0.27 0.00 0.00 36.82 38.54 3cia h ILE 475 CO -0.50 0.02 -1.60 0.49 -1.05 0.00 0.00 178.15 175.51 3cia n PHE 476 N -2.70 0.00 -3.80 0.16 3.72 -0.69 -0.41 117.46 113.74 3cia n PHE 476 Ca -0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 3cia n PHE 476 Cb 0.57 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.73 3cia n PHE 476 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3cia s LYS 477 N -2.66 3.50 0.90 -1.08 3.01 -1.09 -4.76 119.74 117.56 3cia s LYS 477 Ca -0.05 -0.38 -0.12 0.00 -1.01 0.00 0.00 55.97 54.41 3cia s LYS 477 Cb 0.06 -2.91 0.13 0.00 -1.01 0.00 0.00 37.83 34.10 3cia s LYS 477 CO 0.48 0.48 1.13 0.00 0.51 0.00 0.00 175.35 177.96 3cia s ALA 478 N -1.73 1.84 0.00 5.17 0.00 -1.26 -4.29 121.76 121.48 3cia s ALA 478 Ca 0.37 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3cia s ALA 478 Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3cia s ALA 478 CO 0.28 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 174.23 3cia n GLY 479 N -2.21 0.06 3.91 0.00 0.00 -1.26 -4.86 105.19 100.84 3cia n GLY 479 Ca 0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3cia n GLY 479 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cia s LEU 480 N 0.00 4.33 0.00 0.99 1.43 -1.26 -4.94 118.68 119.23 3cia s LEU 480 Ca 0.00 0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.45 3cia s LEU 480 Cb 0.00 -2.93 0.60 0.00 0.03 0.00 0.00 46.19 43.89 3cia s LEU 480 CO 0.00 0.17 1.02 -2.65 0.23 0.00 0.00 176.35 175.12 3cia n PRO 481 N 0.27 0.35 0.00 1.29 -0.02 -1.26 -4.86 135.00 130.78 3cia n PRO 481 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3cia n PRO 481 Cb 0.51 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 3cia n PRO 481 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cia n SER 482 N -0.94 0.00 -0.63 2.55 3.41 -1.26 -4.35 113.62 112.39 3cia n SER 482 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.72 3cia n SER 482 Cb 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.10 3cia n SER 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cia n TYR 483 N 0.00 0.46 -2.50 7.33 0.18 -1.26 -4.87 117.16 116.49 3cia n TYR 483 Ca 0.00 -0.19 -0.42 0.00 1.88 0.00 0.00 57.90 59.16 3cia n TYR 483 Cb 0.00 -0.08 -0.03 0.00 -0.38 0.00 0.00 39.34 38.85 3cia n TYR 483 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3cia s ALA 484 N -1.64 3.38 0.24 -3.48 0.00 -1.26 -4.94 121.76 114.06 3cia s ALA 484 Ca 0.17 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.56 3cia s ALA 484 Cb 0.11 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.61 3cia s ALA 484 CO 0.09 -0.50 0.43 -2.30 0.00 0.00 0.00 175.76 173.48 3cia n PRO 485 N 4.37 0.00 -3.34 0.00 -0.02 -1.26 -4.93 135.00 129.82 3cia n PRO 485 Ca 0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.31 3cia n PRO 485 Cb 0.47 -1.00 -0.08 0.00 -0.02 0.00 0.00 33.50 32.87 3cia n PRO 485 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3cia n GLN 486 N 1.07 0.96 -1.50 -0.52 -0.06 -1.26 -4.99 117.38 111.07 3cia n GLN 486 Ca 0.17 -3.55 -0.44 0.00 -2.00 0.00 0.00 57.00 51.17 3cia n GLN 486 Cb 0.28 -1.60 -0.01 0.00 -4.06 0.00 0.00 30.24 24.85 3cia n GLN 486 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 3cia n PRO 487 N 1.76 0.80 -3.83 3.69 -0.02 -1.26 -4.97 135.00 131.17 3cia n PRO 487 Ca 0.25 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 3cia n PRO 487 Cb 0.48 -1.55 -0.13 0.00 -0.02 0.00 0.00 33.50 32.28 3cia n PRO 487 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3cia s THR 488 N -1.18 -0.01 -0.16 3.45 -1.32 -1.26 -4.38 115.64 110.77 3cia s THR 488 Ca 0.61 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 61.13 3cia s THR 488 Cb -0.72 -0.15 0.02 0.00 -1.51 0.00 0.00 72.50 70.15 3cia s THR 488 CO 0.58 0.01 -0.16 -0.55 -2.21 0.00 0.00 174.62 172.29 3cia s SER 489 N 0.22 2.92 0.14 8.08 0.15 -1.26 -4.94 113.70 119.00 3cia s SER 489 Ca -0.01 -0.58 -0.31 0.00 0.70 0.00 0.00 55.95 55.75 3cia s SER 489 Cb -0.02 -1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 62.89 3cia s SER 489 CO -0.01 -0.04 1.52 0.78 1.20 0.00 0.00 173.24 176.69 3cia h ASN 490 N 8.00 -1.94 -0.86 5.45 4.21 -1.98 -2.31 115.58 126.15 3cia h ASN 490 Ca -0.41 0.28 0.22 0.00 1.21 0.00 0.00 56.30 57.60 3cia h ASN 490 Cb 1.13 0.83 -0.05 0.00 -1.12 0.00 0.00 38.32 39.12 3cia h ASN 490 CO 0.57 -0.30 0.60 0.00 -1.29 0.00 0.00 177.43 177.01 3cia h ALA 491 N 0.18 2.53 -0.26 -0.83 0.00 -1.97 1.15 119.26 120.05 3cia h ALA 491 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3cia h ALA 491 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3cia h ALA 491 CO -0.74 -0.78 -0.06 0.74 0.00 0.00 0.00 179.25 178.40 3cia h PHE 492 N 0.18 0.43 0.00 0.00 -1.00 -1.84 -3.26 116.94 111.45 3cia h PHE 492 Ca 0.43 -0.05 -0.20 0.00 2.81 0.00 0.00 57.97 60.96 3cia h PHE 492 Cb 1.40 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 40.80 3cia h PHE 492 CO -0.00 0.48 -1.93 1.17 -1.61 0.00 0.00 178.31 176.42 3cia n LYS 493 N -4.27 1.32 -0.02 1.51 4.81 0.38 -1.61 118.16 120.27 3cia n LYS 493 Ca 0.01 -0.04 0.24 0.00 -0.87 0.00 0.00 58.31 57.64 3cia n LYS 493 Cb 0.26 -1.38 0.68 0.00 0.02 0.00 0.00 35.03 34.62 3cia n LYS 493 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3cia h VAL 494 N 0.00 0.30 0.01 3.15 2.07 -1.02 -3.14 116.25 117.62 3cia h VAL 494 Ca -0.29 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 3cia h VAL 494 Cb 1.59 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3cia h VAL 494 CO 0.02 0.00 -0.44 0.40 0.02 0.00 0.00 177.57 177.57 3cia h ILE 495 N 0.00 1.52 -0.95 4.57 2.04 -1.34 -2.91 117.51 120.43 3cia h ILE 495 Ca 0.30 -2.32 0.33 0.00 1.00 0.00 0.00 64.86 64.18 3cia h ILE 495 Cb 1.61 3.05 -0.10 0.00 -0.74 0.00 0.00 36.82 40.64 3cia h ILE 495 CO -0.00 0.54 0.61 0.47 0.00 0.00 0.00 178.15 179.77 3cia n ASP 496 N -4.51 0.15 -0.08 1.72 8.00 -0.66 0.24 116.55 121.42 3cia n ASP 496 Ca -0.17 0.97 -0.14 0.00 0.71 0.00 0.00 54.79 56.16 3cia n ASP 496 Cb 0.57 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 3cia n ASP 496 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3cia h LYS 497 N 0.00 0.00 -0.80 -1.24 6.56 -1.58 -3.33 116.57 116.18 3cia h LYS 497 Ca 0.61 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 60.39 3cia h LYS 497 Cb 1.97 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 33.51 3cia h LYS 497 CO -0.33 0.81 0.26 1.96 -2.06 0.00 0.00 179.45 180.09 3cia h GLN 498 N -1.00 0.32 0.00 3.15 4.20 -1.11 -2.59 115.11 118.07 3cia h GLN 498 Ca -0.12 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3cia h GLN 498 Cb 0.96 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3cia h GLN 498 CO -0.07 0.21 0.39 -0.84 -0.67 0.00 0.00 178.83 177.84 3cia h ILE 499 N 0.33 0.00 -1.64 2.54 3.07 -0.32 -3.22 117.51 118.27 3cia h ILE 499 Ca 0.47 0.00 -0.71 0.00 1.55 0.00 0.00 64.86 66.17 3cia h ILE 499 Cb 0.84 0.30 -0.14 0.00 -0.27 0.00 0.00 36.82 37.55 3cia h ILE 499 CO -0.52 0.00 1.67 0.20 -1.05 0.00 0.00 178.15 178.45 3cia s ASN 500 N -3.45 6.95 -0.60 2.16 0.02 -0.98 -4.53 114.94 114.52 3cia s ASN 500 Ca -0.02 -2.71 0.04 0.00 -1.02 0.00 0.00 52.86 49.15 3cia s ASN 500 Cb 0.04 -2.47 0.36 0.00 0.02 0.00 0.00 41.25 39.19 3cia s ASN 500 CO 0.12 -0.94 1.11 0.00 0.02 0.00 0.00 177.10 177.42 3cia n GLN 501 N 6.83 3.49 0.00 -0.60 6.02 -1.22 -4.80 117.38 127.11 3cia n GLN 501 Ca 0.41 -4.72 0.00 0.00 -0.01 0.00 0.00 57.00 52.68 3cia n GLN 501 Cb 0.44 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.44 3cia n GLN 501 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3cia n LEU 502 N -0.30 0.00 0.10 1.08 7.99 -1.26 -3.20 117.00 121.42 3cia n LEU 502 Ca 0.35 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 56.13 3cia n LEU 502 Cb 0.43 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.60 3cia n LEU 502 CO 0.36 0.00 -0.09 0.58 -1.51 0.00 0.00 177.39 176.73 3cia h VAL 503 N 0.00 1.34 0.00 4.08 2.07 -1.98 -3.46 116.25 118.29 3cia h VAL 503 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3cia h VAL 503 Cb 0.00 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3cia h VAL 503 CO 0.00 0.76 0.00 0.35 0.02 0.00 0.00 177.57 178.70 3cia n THR 504 N -3.87 0.00 -3.10 2.57 -2.24 -1.19 -4.89 114.28 101.56 3cia n THR 504 Ca -0.15 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.46 3cia n THR 504 Cb 0.98 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.25 3cia n THR 504 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cia n ASP 505 N 0.00 -5.09 -0.52 3.42 8.00 -1.23 -4.90 116.55 116.22 3cia n ASP 505 Ca 0.00 -0.32 0.07 0.00 0.71 0.00 0.00 54.79 55.25 3cia n ASP 505 Cb 0.00 -3.79 0.14 0.00 -0.02 0.00 0.00 41.12 37.45 3cia n ASP 505 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3cia n GLU 506 N -3.53 1.15 0.01 -1.24 4.07 -1.23 -4.57 120.64 115.30 3cia n GLU 506 Ca -0.03 -2.69 0.00 0.00 -0.06 0.00 0.00 57.16 54.38 3cia n GLU 506 Cb 0.56 -1.28 0.00 0.00 -0.06 0.00 0.00 31.44 30.66 3cia n GLU 506 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3cia n LEU 507 N -0.93 -0.10 -4.61 4.31 0.00 -1.26 -3.98 117.00 110.42 3cia n LEU 507 Ca 0.15 0.03 -0.34 0.00 0.00 0.00 0.00 56.01 55.84 3cia n LEU 507 Cb 0.73 0.36 -0.10 0.00 0.00 0.00 0.00 43.42 44.41 3cia n LEU 507 CO -0.02 -0.49 -0.31 0.28 0.00 0.00 0.00 177.39 176.86 3cia s THR 508 N -1.04 4.32 0.00 1.96 -1.32 -1.26 -5.07 115.64 113.23 3cia s THR 508 Ca 0.00 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 3cia s THR 508 Cb 0.00 -2.88 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 3cia s THR 508 CO 0.00 0.53 0.00 0.18 -2.21 0.00 0.00 174.62 173.12 3cia n LEU 509 N 2.96 0.00 0.00 9.08 4.32 -1.26 -4.19 117.00 127.90 3cia n LEU 509 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 3cia n LEU 509 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 3cia n LEU 509 CO 0.32 -0.32 -0.07 1.21 -1.22 0.00 0.00 177.39 177.30 3cia n GLU 510 N 0.00 4.46 -0.49 3.23 4.07 -1.26 -4.61 120.64 126.03 3cia n GLU 510 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 3cia n GLU 510 Cb 0.00 -0.47 -0.01 0.00 -0.06 0.00 0.00 31.44 30.90 3cia n GLU 510 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3cia n GLN 511 N -0.81 0.00 -2.83 5.31 6.02 -1.26 -4.74 117.38 119.06 3cia n GLN 511 Ca 0.00 -0.18 -0.22 0.00 -0.01 0.00 0.00 57.00 56.60 3cia n GLN 511 Cb 0.00 -1.32 0.09 0.00 1.02 0.00 0.00 30.24 30.03 3cia n GLN 511 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3cia s LEU 512 N 0.00 3.01 0.00 1.08 1.43 -1.26 -5.03 118.68 117.91 3cia s LEU 512 Ca 0.05 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3cia s LEU 512 Cb 0.01 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3cia s LEU 512 CO 0.03 -1.65 0.67 -2.65 0.23 0.00 0.00 176.35 172.97 3cia n PRO 513 N -2.56 0.79 -0.26 1.29 -0.02 -1.26 -4.47 135.00 128.50 3cia n PRO 513 Ca 0.16 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.71 3cia n PRO 513 Cb 0.61 -1.19 0.21 0.00 -0.02 0.00 0.00 33.50 33.10 3cia n PRO 513 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3cia h THR 514 N 0.14 0.57 0.00 3.45 1.35 -1.96 0.61 112.91 117.08 3cia h THR 514 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3cia h THR 514 Cb 0.67 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 3cia h THR 514 CO 0.00 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.34 3cia n ALA 515 N -2.57 1.68 -0.13 6.62 0.00 -1.26 0.24 120.51 125.09 3cia n ALA 515 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3cia n ALA 515 Cb 0.47 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3cia n ALA 515 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cia n GLN 516 N -0.76 2.35 -2.13 0.00 6.02 0.21 -5.04 117.38 118.03 3cia n GLN 516 Ca 0.02 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.00 56.42 3cia n GLN 516 Cb 0.01 -0.60 -0.03 0.00 1.02 0.00 0.00 30.24 30.65 3cia n GLN 516 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3cia s TRP 517 N -0.38 2.35 0.77 1.08 0.52 0.14 -5.01 118.94 118.41 3cia s TRP 517 Ca 0.00 0.49 -0.11 0.00 0.02 0.00 0.00 56.10 56.49 3cia s TRP 517 Cb 0.00 -3.79 0.05 0.00 -1.15 0.00 0.00 33.47 28.59 3cia s TRP 517 CO 0.00 -3.15 1.09 0.95 0.02 0.00 0.00 176.95 175.86 3cia s THR 518 N 3.51 3.27 0.22 2.01 -4.23 -1.26 -4.87 115.64 114.29 3cia s THR 518 Ca 0.68 0.41 -0.10 0.00 -1.18 0.00 0.00 61.69 61.50 3cia s THR 518 Cb -0.31 -3.18 0.24 0.00 1.34 0.00 0.00 72.50 70.59 3cia s THR 518 CO 0.26 -0.54 1.64 0.25 -0.54 0.00 0.00 174.62 175.69 3cia h LEU 519 N -0.99 -0.40 -1.48 4.79 7.12 -1.97 0.36 115.31 122.74 3cia h LEU 519 Ca -0.46 0.18 0.05 0.00 0.13 0.00 0.00 57.88 57.78 3cia h LEU 519 Cb 1.26 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 41.69 3cia h LEU 519 CO 0.59 -0.17 0.42 0.45 -0.13 0.00 0.00 178.44 179.60 3cia h HIS 520 N 0.07 0.65 -0.06 1.25 -0.00 -1.93 -2.35 115.15 112.78 3cia h HIS 520 Ca 0.35 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 3cia h HIS 520 Cb 0.58 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 3cia h HIS 520 CO -0.44 0.35 0.00 0.39 -0.00 0.00 0.00 177.93 178.24 3cia n GLU 521 N -4.47 1.18 -0.00 2.45 1.02 0.12 -3.01 120.64 117.92 3cia n GLU 521 Ca 0.09 -0.27 0.01 0.00 -0.02 0.00 0.00 57.16 56.97 3cia n GLU 521 Cb 0.21 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 3cia n GLU 521 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3cia n TRP 522 N -0.39 0.00 0.09 -0.32 7.02 -0.90 -3.76 117.44 119.19 3cia n TRP 522 Ca 0.08 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.67 3cia n TRP 522 Cb 0.10 -0.05 -0.12 0.00 -2.42 0.00 0.00 31.31 28.82 3cia n TRP 522 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3cia n LEU 523 N -1.47 0.28 0.11 -0.99 4.77 -1.16 -2.48 117.00 116.07 3cia n LEU 523 Ca -0.00 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 3cia n LEU 523 Cb 0.06 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 40.98 3cia n LEU 523 CO 0.05 -0.03 -0.27 -0.74 -1.33 0.00 0.00 177.39 175.08 3cia h HIS 524 N 0.00 0.86 0.32 -1.77 2.76 -1.73 0.15 115.15 115.74 3cia h HIS 524 Ca 0.00 -0.62 -0.01 0.00 -2.20 0.00 0.00 60.37 57.53 3cia h HIS 524 Cb 0.96 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.89 3cia h HIS 524 CO 0.00 1.55 -0.21 0.35 -1.30 0.00 0.00 177.93 178.32 3cia h PHE 525 N 0.04 -0.57 -0.76 5.26 3.57 -1.65 -1.53 116.94 121.31 3cia h PHE 525 Ca -0.26 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.34 3cia h PHE 525 Cb 2.07 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.96 3cia h PHE 525 CO 0.13 -0.31 0.50 0.82 -2.23 0.00 0.00 178.31 177.22 3cia h ILE 526 N -0.51 0.90 -0.38 1.41 2.04 -1.60 -1.28 117.51 118.10 3cia h ILE 526 Ca -0.04 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3cia h ILE 526 Cb 0.41 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3cia h ILE 526 CO 0.04 0.11 -0.12 0.78 0.00 0.00 0.00 178.15 178.96 3cia h ASN 527 N 0.61 0.65 -0.07 1.72 2.35 -0.58 -3.21 115.58 117.06 3cia h ASN 527 Ca 0.36 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3cia h ASN 527 Cb 0.56 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3cia h ASN 527 CO -0.13 0.80 0.00 0.59 -1.65 0.00 0.00 177.43 177.04 3cia n ASN 528 N -4.18 2.36 -4.74 5.81 4.13 -0.59 -4.95 115.26 113.10 3cia n ASN 528 Ca 0.01 -2.36 -0.37 0.00 1.68 0.00 0.00 54.58 53.54 3cia n ASN 528 Cb 0.35 -0.18 0.05 0.00 -1.54 0.00 0.00 39.78 38.46 3cia n ASN 528 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3cia s LEU 529 N -1.63 3.65 0.23 3.41 2.96 -0.51 -4.95 118.68 121.84 3cia s LEU 529 Ca 0.15 2.58 -0.20 0.00 -0.22 0.00 0.00 54.13 56.44 3cia s LEU 529 Cb 0.12 -4.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.17 3cia s LEU 529 CO 0.04 -1.82 0.73 -2.84 -1.32 0.00 0.00 176.35 171.14 3cia s PRO 530 N -3.28 4.26 0.00 0.98 0.02 -1.26 -4.92 135.00 130.80 3cia s PRO 530 Ca 0.79 0.89 0.13 0.00 0.02 0.00 0.00 61.00 62.83 3cia s PRO 530 Cb -0.36 -2.87 0.73 0.00 0.02 0.00 0.00 34.50 32.01 3cia s PRO 530 CO 0.39 0.39 1.48 0.28 -0.33 0.00 0.00 177.00 179.21 3cia n VAL 531 N 0.71 0.04 -1.98 3.83 0.31 -1.26 -3.67 118.33 116.31 3cia n VAL 531 Ca -0.02 -0.05 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 3cia n VAL 531 Cb 0.51 -0.13 0.03 0.00 -0.91 0.00 0.00 33.84 33.35 3cia n VAL 531 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3cia n ASP 532 N -0.55 6.37 -0.07 4.52 10.43 -1.26 -3.96 116.55 132.03 3cia n ASP 532 Ca 0.10 -3.78 -0.07 0.00 2.57 0.00 0.00 54.79 53.61 3cia n ASP 532 Cb 0.08 -0.77 -0.10 0.00 1.84 0.00 0.00 41.12 42.17 3cia n ASP 532 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3cia n LEU 533 N -0.63 0.36 0.00 0.64 4.32 -1.24 -4.94 117.00 115.52 3cia n LEU 533 Ca 0.50 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 3cia n LEU 533 Cb 0.55 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 3cia n LEU 533 CO 0.50 0.38 0.00 0.47 -1.22 0.00 0.00 177.39 177.52 3cia n ASP 534 N -2.55 0.00 -0.52 -1.43 8.00 -1.25 0.57 116.55 119.38 3cia n ASP 534 Ca -0.22 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.37 3cia n ASP 534 Cb 0.91 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.03 3cia n ASP 534 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3cia n HIS 535 N 0.00 0.00 0.31 1.24 -0.00 -1.26 -4.12 115.22 111.39 3cia n HIS 535 Ca 0.00 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.36 3cia n HIS 535 Cb 0.00 0.00 1.00 0.00 -0.12 0.00 0.00 29.99 30.87 3cia n HIS 535 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3cia h GLN 536 N 2.54 0.00 0.00 1.57 5.75 1.50 -3.40 115.11 123.07 3cia h GLN 536 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3cia h GLN 536 Cb 0.70 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.25 3cia h GLN 536 CO 0.00 0.02 0.00 -0.12 -2.65 0.00 0.00 178.83 176.08 3cia n MET 538 N -3.45 0.00 0.00 1.69 1.56 -1.26 -5.03 117.12 110.64 3cia n MET 538 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 3cia n MET 538 Cb 0.12 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.49 3cia n MET 538 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3cia n VAL 539 N 0.00 0.00 -0.28 1.12 0.31 -1.26 -3.28 118.33 114.94 3cia n VAL 539 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3cia n VAL 539 Cb 0.00 -0.83 0.20 0.00 -0.91 0.00 0.00 33.84 32.30 3cia n VAL 539 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3cia n ASN 540 N -2.58 -0.15 0.18 4.52 3.02 -1.26 0.13 115.26 119.11 3cia n ASN 540 Ca 0.00 1.37 -0.08 0.00 -0.03 0.00 0.00 54.58 55.85 3cia n ASN 540 Cb 0.39 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 3cia n ASN 540 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3cia h LEU 541 N 0.00 -0.48 0.10 3.41 3.38 -2.00 0.04 115.31 119.77 3cia h LEU 541 Ca 0.46 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 3cia h LEU 541 Cb 0.89 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3cia h LEU 541 CO -0.78 -0.30 -0.05 -0.78 0.09 0.00 0.00 178.44 176.62 3cia h ASP 542 N -0.48 -0.12 -0.25 -0.43 3.58 -1.48 -1.67 116.42 115.57 3cia h ASP 542 Ca -0.04 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 3cia h ASP 542 Cb 0.38 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 3cia h ASP 542 CO 0.05 -0.05 -0.01 0.50 -2.88 0.00 0.00 179.24 176.85 3cia h LYS 543 N -0.18 0.57 0.52 0.28 1.63 0.94 2.18 116.57 122.52 3cia h LYS 543 Ca -0.01 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 3cia h LYS 543 Cb 0.14 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3cia h LYS 543 CO 0.02 0.61 -0.25 0.00 -3.45 0.00 0.00 179.45 176.38 3cia h ALA 544 N 1.45 -0.87 0.00 5.00 0.00 -0.87 -3.37 119.26 120.60 3cia h ALA 544 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cia h ALA 544 Cb 0.37 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3cia h ALA 544 CO 0.01 -0.82 -0.67 1.19 0.00 0.00 0.00 179.25 178.96 3cia n PHE 545 N -4.55 0.39 -3.43 0.00 3.72 -0.64 -5.03 117.46 107.91 3cia n PHE 545 Ca -0.09 0.11 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 3cia n PHE 545 Cb 0.28 -0.53 0.02 0.00 -0.94 0.00 0.00 39.48 38.30 3cia n PHE 545 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3cia n ASP 546 N -1.96 -6.00 0.07 4.37 -0.08 0.74 -4.87 116.55 108.82 3cia n ASP 546 Ca 0.03 -0.29 0.13 0.00 -1.51 0.00 0.00 54.79 53.15 3cia n ASP 546 Cb 0.42 -2.75 0.30 0.00 2.34 0.00 0.00 41.12 41.43 3cia n ASP 546 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3cia n LEU 547 N -1.19 0.71 0.37 -2.67 4.32 -1.26 -3.39 117.00 113.90 3cia n LEU 547 Ca -0.12 0.39 -0.17 0.00 -0.02 0.00 0.00 56.01 56.09 3cia n LEU 547 Cb 0.63 -0.26 -0.08 0.00 -1.62 0.00 0.00 43.42 42.08 3cia n LEU 547 CO 0.57 -0.10 0.52 0.74 -1.22 0.00 0.00 177.39 177.90 3cia h THR 548 N 0.00 0.21 -0.22 -5.08 2.02 -1.89 -3.06 112.91 104.88 3cia h THR 548 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3cia h THR 548 Cb 0.72 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3cia h THR 548 CO 0.00 0.02 0.00 0.59 0.37 0.00 0.00 175.52 176.50 3cia n ASN 549 N -5.45 2.84 -4.63 4.18 5.03 -1.25 -4.91 115.26 111.08 3cia n ASN 549 Ca -0.13 -2.36 -0.48 0.00 0.87 0.00 0.00 54.58 52.47 3cia n ASN 549 Cb 0.39 -0.57 -0.05 0.00 -1.02 0.00 0.00 39.78 38.53 3cia n ASN 549 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3cia n SER 550 N 0.24 2.25 0.00 6.41 3.41 -1.16 -4.93 113.62 119.86 3cia n SER 550 Ca 0.11 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 3cia n SER 550 Cb 0.62 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 3cia n SER 550 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3cia n SER 551 N 2.70 0.00 -4.62 4.04 2.88 -1.26 -4.58 113.62 112.78 3cia n SER 551 Ca 0.16 0.95 -0.52 0.00 -1.33 0.00 0.00 58.87 58.13 3cia n SER 551 Cb 0.25 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 63.18 3cia n SER 551 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3cia n ASN 552 N -1.92 1.97 -0.11 -3.46 2.85 -1.26 -4.86 115.26 108.47 3cia n ASN 552 Ca 0.00 1.10 -0.07 0.00 -0.11 0.00 0.00 54.58 55.50 3cia n ASN 552 Cb 0.00 -1.21 0.09 0.00 1.24 0.00 0.00 39.78 39.90 3cia n ASN 552 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3cia h ALA 553 N 5.24 0.91 -0.62 5.20 0.00 -1.83 -2.62 119.26 125.54 3cia h ALA 553 Ca -0.47 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.18 3cia h ALA 553 Cb 1.32 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3cia h ALA 553 CO 0.82 0.63 0.24 0.93 0.00 0.00 0.00 179.25 181.87 3cia h GLU 554 N 0.73 0.42 0.87 0.00 4.39 -1.89 0.57 114.58 119.67 3cia h GLU 554 Ca 0.11 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3cia h GLU 554 Cb 0.66 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3cia h GLU 554 CO 0.05 0.28 -0.49 0.82 -1.16 0.00 0.00 179.01 178.51 3cia h ILE 555 N 0.44 0.01 -1.10 3.13 1.08 -1.89 -1.08 117.51 118.10 3cia h ILE 555 Ca 0.31 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 65.08 3cia h ILE 555 Cb 0.37 0.01 -0.10 0.00 -3.07 0.00 0.00 36.82 34.03 3cia h ILE 555 CO -0.29 0.00 0.71 0.00 -0.69 0.00 0.00 178.15 177.88 3cia h ALA 556 N -1.21 2.38 0.42 1.87 0.00 -1.09 -1.08 119.26 120.55 3cia h ALA 556 Ca -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3cia h ALA 556 Cb 0.99 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3cia h ALA 556 CO 0.15 -0.82 -0.20 1.25 0.00 0.00 0.00 179.25 179.63 3cia h HIS 557 N 0.31 -0.52 -0.84 0.00 -0.00 0.09 -2.14 115.15 112.05 3cia h HIS 557 Ca 0.63 -0.01 0.22 0.00 -0.00 0.00 0.00 60.37 61.21 3cia h HIS 557 Cb 1.75 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 29.28 3cia h HIS 557 CO -0.00 -0.32 0.58 0.00 -0.00 0.00 0.00 177.93 178.19 3cia h ALA 558 N -1.52 2.51 0.43 5.26 0.00 -0.90 0.27 119.26 125.30 3cia h ALA 558 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3cia h ALA 558 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cia h ALA 558 CO 0.09 -0.76 -0.21 2.35 0.00 0.00 0.00 179.25 180.73 3cia h TRP 559 N 0.18 -0.53 -0.63 0.00 -0.00 -1.16 -2.24 115.95 111.57 3cia h TRP 559 Ca 0.42 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.30 3cia h TRP 559 Cb 1.36 0.18 -0.03 0.00 -0.00 0.00 0.00 29.16 30.67 3cia h TRP 559 CO -0.00 -0.21 0.39 1.88 -0.00 0.00 0.00 178.44 180.50 3cia h TYR 560 N -0.91 0.81 -0.17 2.65 0.05 -0.68 0.27 116.97 119.00 3cia h TYR 560 Ca -0.06 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.75 3cia h TYR 560 Cb 0.56 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 3cia h TYR 560 CO 0.01 0.53 0.01 1.25 -1.05 0.00 0.00 178.16 178.91 3cia h LEU 561 N 0.86 -0.05 -0.07 3.88 5.85 -0.99 -0.55 115.31 124.24 3cia h LEU 561 Ca 0.23 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 3cia h LEU 561 Cb -0.05 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3cia h LEU 561 CO -0.04 0.00 -0.09 0.25 -0.34 0.00 0.00 178.44 178.22 3cia h LEU 562 N 0.07 0.19 -0.02 2.25 5.85 -1.00 -2.75 115.31 119.91 3cia h LEU 562 Ca 0.08 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3cia h LEU 562 Cb 0.09 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3cia h LEU 562 CO -0.12 0.67 -0.04 0.28 -0.34 0.00 0.00 178.44 178.89 3cia h SER 563 N -0.27 -0.12 -1.02 1.25 0.02 -0.30 -1.04 113.55 112.07 3cia h SER 563 Ca 0.01 0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.22 3cia h SER 563 Cb 0.62 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 63.11 3cia h SER 563 CO 0.02 -0.03 0.65 1.62 -1.14 0.00 0.00 176.83 177.95 3cia h VAL 564 N -0.03 0.56 0.60 2.27 3.04 -1.20 0.14 116.25 121.63 3cia h VAL 564 Ca 0.00 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.50 3cia h VAL 564 Cb 0.04 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 3cia h VAL 564 CO -0.03 0.09 -0.31 0.03 -1.01 0.00 0.00 177.57 176.34 3cia h ARG 565 N 0.47 -0.80 0.00 4.17 3.08 -1.07 -2.56 114.38 117.67 3cia h ARG 565 Ca 0.59 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.70 3cia h ARG 565 Cb 1.36 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.59 3cia h ARG 565 CO -0.32 -0.53 0.00 0.00 -1.07 0.00 0.00 179.97 178.04 3cia n ALA 566 N -2.44 1.98 -3.25 0.04 0.00 -0.46 -4.88 120.51 111.50 3cia n ALA 566 Ca -0.10 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 3cia n ALA 566 Cb 0.33 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.64 3cia n ALA 566 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cia n ASP 567 N -1.01 -3.24 -4.04 0.00 8.00 0.25 -3.79 116.55 112.73 3cia n ASP 567 Ca 0.10 -0.59 -0.43 0.00 0.71 0.00 0.00 54.79 54.58 3cia n ASP 567 Cb 0.05 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.40 3cia n ASP 567 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cia n TYR 568 N -3.63 3.51 1.73 1.24 -0.00 0.23 -4.54 117.16 115.68 3cia n TYR 568 Ca -0.21 -2.95 0.00 0.00 -0.00 0.00 0.00 57.90 54.75 3cia n TYR 568 Cb 0.64 -2.00 0.02 0.00 -0.00 0.00 0.00 39.34 38.00 3cia n TYR 568 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3cia n LYS 569 N 4.31 0.86 0.08 2.98 4.01 -1.26 -2.48 118.16 126.66 3cia n LYS 569 Ca 0.39 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.19 3cia n LYS 569 Cb 0.38 -1.01 -0.04 0.00 -0.51 0.00 0.00 35.03 33.85 3cia n LYS 569 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 3cia h GLU 570 N 0.00 0.00 -0.76 1.97 4.57 -1.96 -3.24 114.58 115.16 3cia h GLU 570 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 3cia h GLU 570 Cb 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.50 3cia h GLU 570 CO 0.00 0.48 0.20 1.33 -1.18 0.00 0.00 179.01 179.84 3cia n VAL 571 N -3.11 2.62 -0.08 0.32 0.24 -1.04 -4.46 118.33 112.82 3cia n VAL 571 Ca -0.03 -1.40 -0.13 0.00 -2.04 0.00 0.00 64.34 60.74 3cia n VAL 571 Cb 0.81 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 3cia n VAL 571 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 3cia h TYR 572 N 2.62 0.72 0.05 6.34 -1.99 -1.82 -2.78 116.97 120.11 3cia h TYR 572 Ca 0.20 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 3cia h TYR 572 Cb 2.11 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 40.69 3cia h TYR 572 CO 1.13 0.92 -0.02 -1.00 -0.00 0.00 0.00 178.16 179.18 3cia h PRO 573 N 0.31 -0.06 -0.39 4.88 0.13 -1.88 -0.62 132.00 134.38 3cia h PRO 573 Ca 0.04 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.21 3cia h PRO 573 Cb 0.79 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 3cia h PRO 573 CO 0.06 0.08 0.26 0.00 -0.23 0.00 0.00 178.00 178.17 3cia h ALA 574 N 0.76 1.89 -0.07 -0.56 0.00 -1.88 -0.58 119.26 118.83 3cia h ALA 574 Ca -0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3cia h ALA 574 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cia h ALA 574 CO 0.01 0.05 -0.66 1.98 0.00 0.00 0.00 179.25 180.63 3cia h MET 575 N 0.38 0.29 0.73 0.00 -1.53 -1.35 -2.53 114.93 110.93 3cia h MET 575 Ca 0.16 -0.22 -0.04 0.00 -3.44 0.00 0.00 59.70 56.17 3cia h MET 575 Cb 0.18 0.04 0.01 0.00 -0.55 0.00 0.00 31.60 31.27 3cia h MET 575 CO -0.04 0.84 -0.35 0.00 0.14 0.00 0.00 176.91 177.50 3cia h ALA 576 N 1.10 -1.22 -1.00 0.39 0.00 0.50 0.13 119.26 119.17 3cia h ALA 576 Ca -0.01 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.87 3cia h ALA 576 Cb 1.19 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 3cia h ALA 576 CO 0.11 -1.14 0.61 -0.22 0.00 0.00 0.00 179.25 178.61 3cia h LYS 577 N -1.03 0.70 -0.30 0.00 3.64 -1.50 0.11 116.57 118.20 3cia h LYS 577 Ca -0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3cia h LYS 577 Cb 0.76 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3cia h LYS 577 CO 0.17 0.46 0.17 -0.92 -2.27 0.00 0.00 179.45 177.07 3cia h TYR 578 N 0.72 0.39 -0.41 1.91 3.20 -1.23 0.55 116.97 122.10 3cia h TYR 578 Ca 0.57 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.32 3cia h TYR 578 Cb 0.95 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3cia h TYR 578 CO -0.00 0.30 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.53 3cia h LEU 579 N 0.37 0.83 -0.39 2.82 3.38 0.35 -2.43 115.31 120.24 3cia h LEU 579 Ca 0.11 -0.30 -0.19 0.00 0.09 0.00 0.00 57.88 57.59 3cia h LEU 579 Cb 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3cia h LEU 579 CO -0.02 1.02 -0.70 0.11 0.09 0.00 0.00 178.44 178.94 3cia h LYS 580 N 0.71 0.51 0.02 1.13 1.57 -0.51 -3.39 116.57 116.62 3cia h LYS 580 Ca 0.10 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3cia h LYS 580 Cb 0.74 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3cia h LYS 580 CO 0.06 1.02 -0.01 0.77 -0.57 0.00 0.00 179.45 180.72 3cia h SER 581 N 0.36 -0.03 -3.60 0.86 0.02 0.14 -3.45 113.55 107.86 3cia h SER 581 Ca -0.03 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.41 3cia h SER 581 Cb 1.27 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 3cia h SER 581 CO 0.13 -0.01 0.07 -0.51 -1.14 0.00 0.00 176.83 175.37 3cia s ILE 582 N -2.04 4.66 -0.03 3.27 2.07 -0.92 -4.80 121.20 123.41 3cia s ILE 582 Ca -0.00 1.06 0.05 0.00 -1.41 0.00 0.00 60.65 60.35 3cia s ILE 582 Cb 0.00 -3.74 0.07 0.00 0.13 0.00 0.00 42.46 38.92 3cia s ILE 582 CO 0.01 0.05 0.95 0.61 -1.91 0.00 0.00 174.94 174.65 3cia n GLY 583 N 0.27 2.17 3.74 1.50 0.00 -1.19 -4.72 105.19 106.95 3cia n GLY 583 Ca -0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3cia n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cia s ARG 584 N -1.19 4.23 -0.01 1.61 3.52 -1.22 -4.07 118.95 121.82 3cia s ARG 584 Ca 0.08 2.35 -0.12 0.00 -0.13 0.00 0.00 55.73 57.91 3cia s ARG 584 Cb 0.07 -3.11 -0.06 0.00 -1.56 0.00 0.00 34.95 30.28 3cia s ARG 584 CO 0.01 -0.50 0.67 0.00 -0.81 0.00 0.00 175.30 174.66 3cia h ARG 585 N 5.48 -0.41 -2.80 5.12 3.08 0.42 -3.19 114.38 122.09 3cia h ARG 585 Ca -0.45 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 3cia h ARG 585 Cb 1.21 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3cia h ARG 585 CO 0.82 -0.27 0.39 1.17 -1.07 0.00 0.00 179.97 181.00 3cia n LYS 586 N -4.03 0.07 0.00 0.04 4.81 -1.26 -0.21 118.16 117.57 3cia n LYS 586 Ca -0.05 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3cia n LYS 586 Cb 0.17 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3cia n LYS 586 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3cia n LEU 587 N 2.81 0.00 0.00 3.14 7.94 -1.21 -4.96 117.00 124.72 3cia n LEU 587 Ca 0.01 -0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 3cia n LEU 587 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3cia n LEU 587 CO 0.20 0.26 -0.02 2.30 -1.11 0.00 0.00 177.39 179.02 3cia n ILE 588 N 0.00 0.00 0.14 1.96 -5.35 0.52 -4.80 119.36 111.83 3cia n ILE 588 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 3cia n ILE 588 Cb 0.24 -0.03 -0.05 0.00 -1.74 0.00 0.00 39.64 38.06 3cia n ILE 588 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3cia h VAL 589 N 0.00 0.00 -0.22 7.28 2.07 -0.83 0.13 116.25 124.68 3cia h VAL 589 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3cia h VAL 589 Cb 0.04 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3cia h VAL 589 CO 0.00 0.00 0.20 1.55 0.02 0.00 0.00 177.57 179.34 3cia h PRO 590 N -0.49 0.00 -0.23 1.57 0.13 -1.92 0.51 132.00 131.57 3cia h PRO 590 Ca -0.03 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.05 3cia h PRO 590 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 3cia h PRO 590 CO -0.04 0.00 -0.04 1.25 -0.23 0.00 0.00 178.00 178.95 3cia h LEU 591 N 0.00 0.44 -1.76 1.56 5.85 -1.66 -2.34 115.31 117.39 3cia h LEU 591 Ca 0.10 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3cia h LEU 591 Cb 0.51 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3cia h LEU 591 CO -0.00 0.68 -0.12 1.88 -0.34 0.00 0.00 178.44 180.54 3cia h TYR 592 N 0.18 0.00 0.27 1.25 0.05 0.14 -1.73 116.97 117.14 3cia h TYR 592 Ca 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 3cia h TYR 592 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3cia h TYR 592 CO 0.05 0.12 -0.13 0.87 -1.05 0.00 0.00 178.16 178.01 3cia h LYS 593 N 0.00 -0.36 -0.95 4.88 1.57 -1.01 -0.86 116.57 119.85 3cia h LYS 593 Ca -0.00 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 3cia h LYS 593 Cb 0.42 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 3cia h LYS 593 CO 0.02 -0.24 0.61 0.93 -0.57 0.00 0.00 179.45 180.19 3cia h GLU 594 N -0.82 0.88 -0.39 3.15 4.39 -1.46 -2.10 114.58 118.22 3cia h GLU 594 Ca -0.04 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3cia h GLU 594 Cb 0.28 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3cia h GLU 594 CO 0.06 0.58 0.21 1.25 -1.16 0.00 0.00 179.01 179.95 3cia h LEU 595 N 0.90 0.49 -6.11 1.33 5.85 -1.37 -3.20 115.31 113.21 3cia h LEU 595 Ca 0.46 -0.09 -0.75 0.00 0.84 0.00 0.00 57.88 58.34 3cia h LEU 595 Cb 0.51 -0.12 -0.15 0.00 0.37 0.00 0.00 40.66 41.27 3cia h LEU 595 CO -0.23 0.44 2.13 0.00 -0.34 0.00 0.00 178.44 180.44 3cia n ALA 596 N -2.25 6.01 -2.01 1.25 0.00 -0.33 -0.77 120.51 122.40 3cia n ALA 596 Ca 0.00 -4.24 -0.00 0.00 0.00 0.00 0.00 53.44 49.20 3cia n ALA 596 Cb 0.08 -2.85 -0.00 0.00 0.00 0.00 0.00 19.45 16.68 3cia n ALA 596 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cia n LYS 597 N 2.75 0.00 -3.24 0.00 5.02 -1.21 -4.86 118.16 116.62 3cia n LYS 597 Ca 0.49 -0.46 -0.04 0.00 -2.02 0.00 0.00 58.31 56.28 3cia n LYS 597 Cb 0.31 -0.15 -0.03 0.00 -0.02 0.00 0.00 35.03 35.13 3cia n LYS 597 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3cia s ASN 598 N -0.46 -0.50 0.41 4.39 2.47 -1.26 -4.98 114.94 115.02 3cia s ASN 598 Ca 0.01 -0.36 0.37 0.00 0.42 0.00 0.00 52.86 53.30 3cia s ASN 598 Cb 0.01 1.49 1.30 0.00 -1.45 0.00 0.00 41.25 42.60 3cia s ASN 598 CO -0.00 -0.30 1.19 0.00 -3.72 0.00 0.00 177.10 174.26 3cia n ALA 599 N 5.14 1.39 0.12 1.71 0.00 -1.26 0.18 120.51 127.79 3cia n ALA 599 Ca 0.05 0.52 -0.23 0.00 0.00 0.00 0.00 53.44 53.78 3cia n ALA 599 Cb 0.52 -0.86 -0.14 0.00 0.00 0.00 0.00 19.45 18.96 3cia n ALA 599 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3cia h GLU 600 N 0.00 0.59 -0.00 0.00 4.81 -1.96 -2.84 114.58 115.18 3cia h GLU 600 Ca 0.71 -0.87 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3cia h GLU 600 Cb 2.78 0.31 0.00 0.00 0.63 0.00 0.00 28.75 32.47 3cia h GLU 600 CO -0.06 1.41 -0.07 1.03 -0.73 0.00 0.00 179.01 180.59 3cia h SER 601 N 0.22 0.06 -0.23 1.04 0.87 0.16 -3.24 113.55 112.43 3cia h SER 601 Ca -0.22 -0.79 0.07 0.00 -1.23 0.00 0.00 61.79 59.62 3cia h SER 601 Cb 2.03 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.96 3cia h SER 601 CO 0.26 0.84 0.60 0.50 -0.53 0.00 0.00 176.83 178.50 3cia h LYS 602 N -0.72 0.00 0.15 2.24 3.64 0.28 0.15 116.57 122.30 3cia h LYS 602 Ca -0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 3cia h LYS 602 Cb 0.85 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3cia h LYS 602 CO 0.01 0.00 -1.35 0.00 -2.27 0.00 0.00 179.45 175.84 3cia h ALA 603 N 1.01 0.09 -0.34 5.00 0.00 -1.53 -3.21 119.26 120.28 3cia h ALA 603 Ca 0.11 -0.93 0.03 0.00 0.00 0.00 0.00 54.91 54.11 3cia h ALA 603 Cb 1.31 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3cia h ALA 603 CO -0.00 0.97 0.23 2.35 0.00 0.00 0.00 179.25 182.79 3cia h TRP 604 N 0.09 0.34 0.28 0.00 7.01 -0.77 -2.39 115.95 120.50 3cia h TRP 604 Ca -0.18 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.81 3cia h TRP 604 Cb 2.02 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.97 3cia h TRP 604 CO 0.07 0.20 -0.13 0.00 -2.79 0.00 0.00 178.44 175.79 3cia h ALA 605 N 1.80 -1.09 -1.00 2.65 0.00 -1.51 -2.63 119.26 117.48 3cia h ALA 605 Ca 0.14 -0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.31 3cia h ALA 605 Cb 0.11 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 17.88 3cia h ALA 605 CO -0.03 -1.06 0.53 0.28 0.00 0.00 0.00 179.25 178.97 3cia h VAL 606 N -0.38 0.19 -0.37 0.00 2.07 -1.52 0.78 116.25 117.03 3cia h VAL 606 Ca -0.04 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 3cia h VAL 606 Cb 0.29 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3cia h VAL 606 CO 0.06 0.04 -0.02 -0.33 0.02 0.00 0.00 177.57 177.34 3cia h GLU 607 N 0.20 0.58 0.15 1.57 4.39 -1.34 -1.88 114.58 118.26 3cia h GLU 607 Ca 0.76 -0.14 -0.35 0.00 0.34 0.00 0.00 59.36 59.97 3cia h GLU 607 Cb 1.83 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 30.39 3cia h GLU 607 CO -0.67 0.62 -1.83 -0.39 -1.16 0.00 0.00 179.01 175.58 3cia h VAL 608 N 0.55 0.80 0.00 3.13 -1.51 -0.08 -3.31 116.25 115.83 3cia h VAL 608 Ca 0.11 -2.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.17 3cia h VAL 608 Cb 0.38 2.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.18 3cia h VAL 608 CO 0.02 0.86 0.00 0.00 -1.23 0.00 0.00 177.57 177.21 3cia n TYR 609 N -3.59 0.00 0.79 5.19 9.36 0.23 0.53 117.16 129.67 3cia n TYR 609 Ca -0.28 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.05 3cia n TYR 609 Cb 1.04 -0.30 0.10 0.00 -0.63 0.00 0.00 39.34 39.55 3cia n TYR 609 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3cia n LYS 610 N -1.30 0.14 -0.12 2.98 4.01 -0.71 -2.36 118.16 120.79 3cia n LYS 610 Ca 0.02 0.01 -0.21 0.00 -0.51 0.00 0.00 58.31 57.62 3cia n LYS 610 Cb 0.03 -1.56 -0.12 0.00 -0.51 0.00 0.00 35.03 32.88 3cia n LYS 610 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3cia n GLN 611 N -1.74 0.65 0.08 1.97 1.13 0.19 -4.46 117.38 115.19 3cia n GLN 611 Ca 0.04 0.19 0.12 0.00 -1.94 0.00 0.00 57.00 55.41 3cia n GLN 611 Cb 0.38 -1.54 0.22 0.00 0.11 0.00 0.00 30.24 29.41 3cia n GLN 611 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cia h ALA 612 N -0.20 0.70 0.02 -1.58 0.00 -1.16 -3.38 119.26 113.65 3cia h ALA 612 Ca -0.59 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.35 3cia h ALA 612 Cb 1.84 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 3cia h ALA 612 CO -0.14 0.00 -0.38 -0.09 0.00 0.00 0.00 179.25 178.63 3cia h ARG 613 N 0.00 -0.53 -6.35 0.00 1.12 -1.68 -3.29 114.38 103.65 3cia h ARG 613 Ca 0.00 0.04 -0.55 0.00 -1.11 0.00 0.00 59.98 58.36 3cia h ARG 613 Cb 0.77 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.84 3cia h ARG 613 CO 0.00 -0.35 0.80 -1.25 -3.11 0.00 0.00 179.97 176.06 3cia s PRO 614 N -5.94 4.30 0.00 0.20 0.04 -1.26 -2.63 135.00 129.70 3cia s PRO 614 Ca -0.16 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3cia s PRO 614 Cb 0.09 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3cia s PRO 614 CO 0.64 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.55 3cia n GLY 615 N 3.56 3.00 3.70 0.56 0.00 -1.26 -5.05 105.19 109.70 3cia n GLY 615 Ca 0.13 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3cia n GLY 615 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cia s TYR 616 N -0.03 1.83 0.46 1.61 2.02 -1.08 -4.80 117.35 117.35 3cia s TYR 616 Ca 0.00 1.66 -0.20 0.00 -0.37 0.00 0.00 57.07 58.17 3cia s TYR 616 Cb 0.00 -3.49 -0.10 0.00 -0.40 0.00 0.00 41.96 37.98 3cia s TYR 616 CO 0.00 -2.83 0.97 -1.58 -1.57 0.00 0.00 175.55 170.53 3cia s HIS 617 N -2.13 3.32 0.26 2.71 5.65 -1.26 -4.82 115.29 119.03 3cia s HIS 617 Ca 0.73 1.57 -0.01 0.00 0.25 0.00 0.00 55.06 57.60 3cia s HIS 617 Cb -0.29 -2.85 0.54 0.00 -1.18 0.00 0.00 32.58 28.80 3cia s HIS 617 CO 0.50 -0.23 1.74 0.78 -0.65 0.00 0.00 174.74 176.87 3cia h GLY 618 N 1.62 1.32 1.59 1.59 0.00 -1.95 0.35 103.07 107.58 3cia h GLY 618 Ca -0.48 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 46.66 3cia h GLY 618 CO 0.61 -0.11 0.20 1.41 0.00 0.00 0.00 176.54 178.65 3cia h LEU 619 N 0.51 0.00 0.00 3.11 3.38 -1.91 -0.76 115.31 119.64 3cia h LEU 619 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3cia h LEU 619 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3cia h LEU 619 CO -0.41 0.00 -0.56 0.00 0.09 0.00 0.00 178.44 177.56 3cia n ALA 620 N -2.01 0.49 -0.23 1.53 0.00 0.04 -3.93 120.51 116.40 3cia n ALA 620 Ca -0.02 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 52.94 3cia n ALA 620 Cb 0.27 0.02 0.08 0.00 0.00 0.00 0.00 19.45 19.82 3cia n ALA 620 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3cia n GLN 621 N -3.89 -0.07 -0.12 0.00 6.02 -0.76 0.20 117.38 118.76 3cia n GLN 621 Ca -0.08 1.01 -0.07 0.00 -0.01 0.00 0.00 57.00 57.84 3cia n GLN 621 Cb 0.29 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 3cia n GLN 621 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3cia h GLY 622 N 0.00 -0.20 0.80 1.08 0.00 -1.32 0.71 103.07 104.13 3cia h GLY 622 Ca 0.30 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 48.02 3cia h GLY 622 CO -0.66 -0.21 -0.07 -0.84 0.00 0.00 0.00 176.54 174.76 3cia h THR 623 N -0.24 0.95 0.00 4.70 2.02 -0.37 -2.92 112.91 117.06 3cia h THR 623 Ca 0.18 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3cia h THR 623 Cb 0.53 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3cia h THR 623 CO -0.53 0.10 -0.15 0.58 0.37 0.00 0.00 175.52 175.90 3cia h VAL 624 N -0.40 0.95 0.00 3.16 2.07 -0.96 -1.87 116.25 119.19 3cia h VAL 624 Ca -0.02 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3cia h VAL 624 Cb 0.32 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3cia h VAL 624 CO 0.03 0.14 -0.06 0.44 0.02 0.00 0.00 177.57 178.14 3cia h ASP 625 N 0.00 0.00 0.05 0.57 3.32 0.62 -2.79 116.42 118.19 3cia h ASP 625 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 3cia h ASP 625 Cb 0.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3cia h ASP 625 CO 0.02 0.06 -2.04 0.61 -1.72 0.00 0.00 179.24 176.17 3cia n GLY 626 N -0.68 -0.55 0.00 2.75 0.00 -0.73 -4.16 105.19 101.82 3cia n GLY 626 Ca -0.02 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.94 3cia n GLY 626 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cia n VAL 627 N -3.72 0.12 -1.68 1.61 0.24 -1.06 -2.65 118.33 111.19 3cia n VAL 627 Ca -0.38 0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 61.85 3cia n VAL 627 Cb 0.94 -0.74 0.13 0.00 -1.47 0.00 0.00 33.84 32.70 3cia n VAL 627 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3cia n LEU 628 N -1.07 4.22 0.00 1.34 7.94 -1.06 -4.74 117.00 123.64 3cia n LEU 628 Ca 0.12 -4.18 0.00 0.00 -1.11 0.00 0.00 56.01 50.84 3cia n LEU 628 Cb 0.08 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.50 3cia n LEU 628 CO 0.11 1.61 0.00 1.17 -1.11 0.00 0.00 177.39 179.17