#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wby n ASN 43 N 0.00 3.19 -4.62 6.12 0.23 -1.26 -4.99 115.26 113.92 2wby n ASN 43 Ca 0.00 1.18 -0.39 0.00 -0.53 0.00 0.00 54.58 54.84 2wby n ASN 43 Cb 0.00 -1.52 -0.08 0.00 -2.08 0.00 0.00 39.78 36.10 2wby n ASN 43 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2wby s ASN 44 N 0.09 6.32 0.46 0.53 3.84 -1.26 -4.98 114.94 119.94 2wby s ASN 44 Ca 0.61 0.37 0.12 0.00 0.21 0.00 0.00 52.86 54.17 2wby s ASN 44 Cb -0.56 -2.22 1.05 0.00 -0.55 0.00 0.00 41.25 38.97 2wby s ASN 44 CO 0.55 -0.17 2.07 1.55 -2.79 0.00 0.00 177.10 178.32 2wby h PRO 45 N 7.95 0.31 0.00 0.43 0.13 -2.03 -2.91 132.00 135.88 2wby h PRO 45 Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2wby h PRO 45 Cb 1.16 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2wby h PRO 45 CO 0.67 0.20 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 2wby h ALA 46 N 1.82 1.00 -3.15 -0.56 0.00 -2.00 -3.43 119.26 112.94 2wby h ALA 46 Ca 0.13 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.37 2wby h ALA 46 Cb 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.59 2wby h ALA 46 CO -0.03 0.00 -0.78 0.42 0.00 0.00 0.00 179.25 178.86 2wby s ILE 47 N -3.34 2.67 0.17 0.00 1.01 -1.10 0.87 121.20 121.48 2wby s ILE 47 Ca 0.05 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 2wby s ILE 47 Cb 0.10 -2.25 0.07 0.00 0.01 0.00 0.00 42.46 40.39 2wby s ILE 47 CO 0.48 0.37 1.71 0.50 0.00 0.00 0.00 174.94 178.01 2wby h LYS 48 N 8.00 0.92 -1.90 2.79 3.64 -1.26 -3.43 116.57 125.34 2wby h LYS 48 Ca -0.39 -0.19 0.14 0.00 -1.27 0.00 0.00 60.65 58.95 2wby h LYS 48 Cb 1.13 -0.14 -0.18 0.00 -0.41 0.00 0.00 32.23 32.63 2wby h LYS 48 CO 0.60 0.81 0.60 -0.98 -2.27 0.00 0.00 179.45 178.20 2wby s ARG 49 N -5.47 0.62 -0.10 1.90 1.70 -0.99 -4.97 118.95 111.66 2wby s ARG 49 Ca -0.13 -0.15 0.01 0.00 -0.47 0.00 0.00 55.73 54.99 2wby s ARG 49 Cb 0.13 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.78 2wby s ARG 49 CO 0.80 -0.26 -0.11 0.42 -1.08 0.00 0.00 175.30 175.07 2wby s ILE 50 N -2.47 3.26 0.72 4.99 1.01 -1.26 -1.06 121.20 126.39 2wby s ILE 50 Ca 0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 2wby s ILE 50 Cb -0.01 -2.34 0.09 0.00 0.01 0.00 0.00 42.46 40.21 2wby s ILE 50 CO -0.06 0.55 1.01 -0.83 0.00 0.00 0.00 174.94 175.62 2wby s GLY 51 N -0.19 1.73 0.42 6.18 0.00 -0.16 -4.98 107.32 110.32 2wby s GLY 51 Ca 0.01 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 2wby s GLY 51 CO 0.03 -0.70 0.44 0.70 0.00 0.00 0.00 173.10 173.57 2wby n ASN 52 N -2.92 -0.85 -4.61 1.64 5.03 -1.26 -4.74 115.26 107.54 2wby n ASN 52 Ca 0.10 -0.91 -0.46 0.00 0.87 0.00 0.00 54.58 54.17 2wby n ASN 52 Cb 0.60 -0.37 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 2wby n ASN 52 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2wby n HIS 53 N -3.11 1.57 -3.12 3.10 -0.00 -1.26 -4.74 115.22 107.66 2wby n HIS 53 Ca 0.06 0.61 -0.41 0.00 -0.00 0.00 0.00 57.72 57.98 2wby n HIS 53 Cb 0.22 -2.33 -0.07 0.00 -0.00 0.00 0.00 29.99 27.81 2wby n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2wby s ILE 54 N -0.39 4.93 0.17 3.57 -1.09 -1.26 -4.74 121.20 122.39 2wby s ILE 54 Ca 0.68 0.73 -0.31 0.00 -2.23 0.00 0.00 60.65 59.52 2wby s ILE 54 Cb -0.75 -4.02 -0.10 0.00 -1.58 0.00 0.00 42.46 36.01 2wby s ILE 54 CO 0.54 -0.20 1.55 -0.89 -1.23 0.00 0.00 174.94 174.71 2wby s THR 55 N 2.63 2.62 0.22 2.92 2.01 -0.87 -4.96 115.64 120.21 2wby s THR 55 Ca 0.24 0.45 -0.00 0.00 0.31 0.00 0.00 61.69 62.70 2wby s THR 55 Cb -0.15 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2wby s THR 55 CO 0.13 0.04 0.12 -1.59 -0.69 0.00 0.00 174.62 172.63 2wby s LYS 56 N 0.96 1.26 0.34 4.92 -2.85 -1.26 -4.49 119.74 118.62 2wby s LYS 56 Ca 0.69 -1.67 -0.28 0.00 -1.00 0.00 0.00 55.97 53.71 2wby s LYS 56 Cb -0.44 0.13 -0.10 0.00 -2.06 0.00 0.00 37.83 35.37 2wby s LYS 56 CO 0.33 -0.37 1.26 0.45 0.10 0.00 0.00 175.35 177.12 2wby s SER 57 N -3.20 6.78 0.00 0.03 0.15 -1.26 -4.87 113.70 111.33 2wby s SER 57 Ca 0.39 2.59 0.09 0.00 0.70 0.00 0.00 55.95 59.71 2wby s SER 57 Cb 0.07 -2.64 0.40 0.00 -1.71 0.00 0.00 66.02 62.15 2wby s SER 57 CO 0.12 -0.52 1.24 -0.81 1.20 0.00 0.00 173.24 174.48 2wby n PRO 58 N 0.72 0.04 0.02 5.44 -0.04 -1.26 -0.85 135.00 139.08 2wby n PRO 58 Ca 0.01 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2wby n PRO 58 Cb 0.43 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.95 2wby n PRO 58 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wby n GLU 59 N -1.43 0.04 -3.28 0.54 -0.58 -1.26 -4.80 120.64 109.87 2wby n GLU 59 Ca 0.03 0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.41 2wby n GLU 59 Cb 0.09 -1.55 -0.08 0.00 -0.57 0.00 0.00 31.44 29.33 2wby n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2wby s ASP 60 N -3.22 6.25 0.03 1.62 -1.08 -0.03 -4.90 116.67 115.35 2wby s ASP 60 Ca 0.13 -0.32 0.25 0.00 -0.52 0.00 0.00 52.55 52.09 2wby s ASP 60 Cb 0.17 -2.25 0.49 0.00 -1.46 0.00 0.00 42.92 39.87 2wby s ASP 60 CO 0.51 -0.53 1.40 0.29 0.52 0.00 0.00 175.17 177.36 2wby n LYS 61 N 5.71 0.08 -1.59 4.34 5.02 -1.26 -4.87 118.16 125.60 2wby n LYS 61 Ca -0.06 0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 55.89 2wby n LYS 61 Cb 0.48 -1.55 0.08 0.00 -0.02 0.00 0.00 35.03 34.03 2wby n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wby s ARG 62 N -3.05 2.33 0.19 1.97 0.52 -1.26 -4.99 118.95 114.66 2wby s ARG 62 Ca 0.10 1.95 0.08 0.00 -0.52 0.00 0.00 55.73 57.34 2wby s ARG 62 Cb 0.16 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.76 2wby s ARG 62 CO 0.70 -1.74 -0.03 -1.21 0.02 0.00 0.00 175.30 173.04 2wby s GLU 63 N -3.60 2.29 -0.01 3.54 2.02 0.60 -4.96 118.70 118.59 2wby s GLU 63 Ca 0.79 -1.21 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 2wby s GLU 63 Cb -0.34 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2wby s GLU 63 CO 0.42 0.43 0.02 0.71 0.02 0.00 0.00 175.26 176.86 2wby s TYR 64 N -1.83 -0.01 -0.04 1.61 1.51 -1.26 -0.36 117.35 116.97 2wby s TYR 64 Ca 0.27 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.37 2wby s TYR 64 Cb -0.09 -0.03 0.03 0.00 -0.11 0.00 0.00 41.96 41.76 2wby s TYR 64 CO 0.18 -0.02 0.03 0.50 -1.11 0.00 0.00 175.55 175.13 2wby s ARG 65 N 0.17 0.12 -0.10 -0.62 3.52 -0.49 -4.60 118.95 116.95 2wby s ARG 65 Ca -0.01 0.25 -0.09 0.00 -0.13 0.00 0.00 55.73 55.74 2wby s ARG 65 Cb -0.02 -0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 32.77 2wby s ARG 65 CO -0.00 -0.27 0.21 0.20 -0.81 0.00 0.00 175.30 174.63 2wby s GLY 66 N 1.77 2.23 0.20 8.12 0.00 -1.26 -0.06 107.32 118.32 2wby s GLY 66 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.12 2wby s GLY 66 CO -0.03 -0.20 0.28 0.48 0.00 0.00 0.00 173.10 173.62 2wby s LEU 67 N -0.92 0.87 -0.14 0.66 2.34 0.68 -0.99 118.68 121.18 2wby s LEU 67 Ca 0.17 -1.10 0.03 0.00 0.06 0.00 0.00 54.13 53.28 2wby s LEU 67 Cb -0.13 1.03 0.01 0.00 -0.56 0.00 0.00 46.19 46.54 2wby s LEU 67 CO 0.06 -0.95 -0.22 -0.70 -1.06 0.00 0.00 176.35 173.48 2wby s GLU 68 N -4.06 3.00 0.76 1.48 2.12 -0.22 -0.18 118.70 121.61 2wby s GLU 68 Ca 0.27 -0.85 -0.11 0.00 0.36 0.00 0.00 54.97 54.64 2wby s GLU 68 Cb 0.04 -2.41 0.05 0.00 0.26 0.00 0.00 34.13 32.06 2wby s GLU 68 CO 0.07 -0.00 1.08 -0.51 -0.54 0.00 0.00 175.26 175.37 2wby s LEU 69 N 0.78 2.95 0.29 2.70 1.43 0.83 -1.14 118.68 126.52 2wby s LEU 69 Ca -0.08 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2wby s LEU 69 Cb -0.16 -4.40 0.72 0.00 0.03 0.00 0.00 46.19 42.38 2wby s LEU 69 CO -0.01 -1.91 1.73 0.00 0.23 0.00 0.00 176.35 176.39 2wby h ALA 70 N -1.04 1.51 0.00 4.21 0.00 0.21 -0.49 119.26 123.66 2wby h ALA 70 Ca -0.44 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wby h ALA 70 Cb 1.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wby h ALA 70 CO 0.54 -0.24 0.00 0.27 0.00 0.00 0.00 179.25 179.82 2wby n ASN 71 N -4.94 0.00 0.00 0.00 0.23 -1.26 -4.85 115.26 104.44 2wby n ASN 71 Ca 0.22 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 2wby n ASN 71 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 2wby n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wby n GLY 72 N 0.84 0.75 3.70 4.83 0.00 -0.19 -3.47 105.19 111.66 2wby n GLY 72 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2wby n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wby s ILE 73 N -2.00 4.45 0.01 -0.61 1.01 -1.24 -4.61 121.20 118.21 2wby s ILE 73 Ca 0.00 1.76 -0.25 0.00 0.00 0.00 0.00 60.65 62.15 2wby s ILE 73 Cb 0.00 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 2wby s ILE 73 CO 0.00 0.09 0.78 -0.54 0.00 0.00 0.00 174.94 175.27 2wby s LYS 74 N 1.41 4.50 -0.04 2.79 1.02 -0.92 -0.12 119.74 128.38 2wby s LYS 74 Ca 0.55 1.08 0.04 0.00 0.02 0.00 0.00 55.97 57.65 2wby s LYS 74 Cb -0.24 -3.40 -0.00 0.00 -0.52 0.00 0.00 37.83 33.67 2wby s LYS 74 CO 0.26 0.18 -0.14 0.08 -0.92 0.00 0.00 175.35 174.81 2wby s VAL 75 N 0.31 1.20 -0.09 3.17 1.01 0.75 -0.76 120.40 125.99 2wby s VAL 75 Ca 0.40 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2wby s VAL 75 Cb -0.20 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2wby s VAL 75 CO 0.23 0.35 -0.14 -0.22 0.00 0.00 0.00 175.10 175.32 2wby s LEU 76 N 0.12 2.68 -0.06 3.92 0.20 -0.28 -0.23 118.68 125.03 2wby s LEU 76 Ca -0.04 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.53 2wby s LEU 76 Cb -0.11 -1.57 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2wby s LEU 76 CO 0.02 0.24 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.40 2wby s LEU 77 N -0.12 2.62 -0.17 -0.68 1.43 0.91 -1.82 118.68 120.86 2wby s LEU 77 Ca -0.02 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2wby s LEU 77 Cb -0.14 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.59 2wby s LEU 77 CO 0.04 0.31 -0.07 -0.63 0.23 0.00 0.00 176.35 176.22 2wby s ILE 78 N -0.50 1.21 -0.23 -0.59 1.01 0.23 -1.39 121.20 120.94 2wby s ILE 78 Ca 0.06 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 2wby s ILE 78 Cb -0.12 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2wby s ILE 78 CO 0.01 0.17 0.09 -0.55 0.00 0.00 0.00 174.94 174.67 2wby s SER 79 N 1.60 5.50 -0.37 3.58 0.15 0.51 -1.35 113.70 123.32 2wby s SER 79 Ca 0.01 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2wby s SER 79 Cb -0.15 -1.98 0.13 0.00 -1.71 0.00 0.00 66.02 62.31 2wby s SER 79 CO -0.08 0.05 0.20 -0.62 1.20 0.00 0.00 173.24 173.99 2wby s ASP 80 N 1.14 3.34 0.00 5.45 -1.08 -0.54 -0.29 116.67 124.69 2wby s ASP 80 Ca 0.05 -2.20 0.15 0.00 -0.52 0.00 0.00 52.55 50.02 2wby s ASP 80 Cb -0.14 -0.65 0.65 0.00 -1.46 0.00 0.00 42.92 41.32 2wby s ASP 80 CO 0.04 -0.32 1.47 -2.65 0.52 0.00 0.00 175.17 174.23 2wby n PRO 81 N 4.06 0.02 0.20 4.34 -0.02 -1.26 -1.51 135.00 140.83 2wby n PRO 81 Ca 0.08 0.24 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 2wby n PRO 81 Cb 0.37 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.48 2wby n PRO 81 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2wby h THR 82 N 0.00 0.08 -3.98 3.45 1.35 -1.94 -3.47 112.91 108.39 2wby h THR 82 Ca 0.00 -1.12 -0.53 0.00 -0.55 0.00 0.00 66.41 64.21 2wby h THR 82 Cb 0.24 1.98 0.10 0.00 -1.73 0.00 0.00 68.15 68.74 2wby h THR 82 CO 0.00 0.05 0.60 0.28 -0.25 0.00 0.00 175.52 176.20 2wby s THR 83 N -3.20 2.51 -0.00 6.82 -1.32 -0.57 -4.95 115.64 114.93 2wby s THR 83 Ca 0.06 0.42 -0.10 0.00 -1.21 0.00 0.00 61.69 60.86 2wby s THR 83 Cb 0.06 -3.24 -0.31 0.00 -1.51 0.00 0.00 72.50 67.50 2wby s THR 83 CO 0.69 0.04 0.85 0.44 -2.21 0.00 0.00 174.62 174.43 2wby h ASP 84 N 2.26 0.62 -3.78 8.08 3.32 -1.93 -3.46 116.42 121.53 2wby h ASP 84 Ca -0.50 -0.80 -0.68 0.00 0.02 0.00 0.00 57.03 55.07 2wby h ASP 84 Cb 1.26 -0.20 -0.21 0.00 0.22 0.00 0.00 39.33 40.40 2wby h ASP 84 CO 0.61 1.65 -0.73 -0.54 -1.72 0.00 0.00 179.24 178.52 2wby s LYS 85 N -2.60 2.71 0.62 3.56 1.02 -1.26 -1.59 119.74 122.20 2wby s LYS 85 Ca -0.11 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.28 2wby s LYS 85 Cb 0.05 -2.52 0.07 0.00 -0.52 0.00 0.00 37.83 34.92 2wby s LYS 85 CO 0.88 0.62 0.86 -1.12 -0.92 0.00 0.00 175.35 175.68 2wby s SER 86 N -0.69 4.90 -0.13 2.83 0.01 0.13 -4.81 113.70 115.94 2wby s SER 86 Ca 0.10 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 2wby s SER 86 Cb -0.11 -0.48 0.07 0.00 0.21 0.00 0.00 66.02 65.71 2wby s SER 86 CO 0.01 -1.44 0.71 -0.55 0.41 0.00 0.00 173.24 172.39 2wby s SER 87 N -4.56 -0.67 0.05 2.44 0.15 -0.61 -0.83 113.70 109.68 2wby s SER 87 Ca 0.61 0.94 -0.02 0.00 0.70 0.00 0.00 55.95 58.18 2wby s SER 87 Cb -0.08 0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 2wby s SER 87 CO 0.41 -0.47 0.00 0.00 1.20 0.00 0.00 173.24 174.38 2wby s ALA 88 N -0.65 0.38 0.04 5.45 0.00 -0.81 -0.39 121.76 125.77 2wby s ALA 88 Ca -0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 2wby s ALA 88 Cb -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2wby s ALA 88 CO 0.06 -0.38 0.12 0.00 0.00 0.00 0.00 175.76 175.57 2wby s ALA 89 N -3.79 -0.12 -0.03 0.00 0.00 -0.03 -1.39 121.76 116.41 2wby s ALA 89 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2wby s ALA 89 Cb 0.07 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2wby s ALA 89 CO -0.10 -0.35 0.01 -1.17 0.00 0.00 0.00 175.76 174.15 2wby s LEU 90 N -2.24 1.20 -0.16 0.00 0.20 -0.45 -0.30 118.68 116.93 2wby s LEU 90 Ca -0.03 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.78 2wby s LEU 90 Cb 0.00 -0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.60 2wby s LEU 90 CO -0.05 -0.10 -0.15 -0.62 -0.29 0.00 0.00 176.35 175.13 2wby s ASP 91 N 0.97 2.81 -0.19 3.68 2.15 0.69 -0.75 116.67 126.02 2wby s ASP 91 Ca -0.09 -0.54 -0.15 0.00 0.43 0.00 0.00 52.55 52.20 2wby s ASP 91 Cb -0.13 -1.25 -0.04 0.00 -0.30 0.00 0.00 42.92 41.20 2wby s ASP 91 CO -0.02 -0.05 0.34 -0.69 -0.17 0.00 0.00 175.17 174.58 2wby s VAL 92 N 1.44 5.25 0.00 1.11 1.01 0.11 -1.35 120.40 127.96 2wby s VAL 92 Ca 0.05 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 2wby s VAL 92 Cb -0.13 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 2wby s VAL 92 CO -0.11 0.30 2.31 1.57 0.00 0.00 0.00 175.10 179.17 2wby n HIS 93 N 4.18 0.00 -4.16 5.22 -0.00 -0.35 0.05 115.22 120.16 2wby n HIS 93 Ca -0.10 -1.00 -0.16 0.00 0.46 0.00 0.00 57.72 56.92 2wby n HIS 93 Cb 0.51 -0.91 -0.13 0.00 -0.12 0.00 0.00 29.99 29.35 2wby n HIS 93 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2wby s ILE 94 N 0.90 0.69 0.00 3.57 -1.09 -0.84 -4.73 121.20 119.70 2wby s ILE 94 Ca 0.27 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 2wby s ILE 94 Cb 0.13 -0.68 0.00 0.00 -1.58 0.00 0.00 42.46 40.33 2wby s ILE 94 CO 0.00 -0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 2wby n GLY 95 N 1.87 3.69 0.25 6.18 0.00 -1.19 -1.63 105.19 114.36 2wby n GLY 95 Ca -0.19 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.43 2wby n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wby h SER 96 N 0.00 0.00 0.13 1.61 4.64 -0.42 -0.10 113.55 119.40 2wby h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wby h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wby h SER 96 CO 0.00 0.06 0.00 -0.07 -0.87 0.00 0.00 176.83 175.95 2wby h LEU 97 N 0.00 0.00 -3.07 5.97 4.07 -1.26 0.38 115.31 121.40 2wby h LEU 97 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wby h LEU 97 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2wby h LEU 97 CO 0.01 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.17 2wby n SER 98 N -2.35 4.19 -4.75 -0.43 7.64 -0.05 -4.88 113.62 112.99 2wby n SER 98 Ca -0.01 -2.40 -0.38 0.00 1.01 0.00 0.00 58.87 57.09 2wby n SER 98 Cb 0.07 -0.49 0.03 0.00 -1.01 0.00 0.00 64.21 62.81 2wby n SER 98 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2wby s ASP 99 N -1.09 5.44 0.28 6.43 -0.00 0.13 -4.95 116.67 122.91 2wby s ASP 99 Ca 0.44 2.64 -0.29 0.00 -0.00 0.00 0.00 52.55 55.34 2wby s ASP 99 Cb 0.28 -2.63 -0.14 0.00 -0.00 0.00 0.00 42.92 40.44 2wby s ASP 99 CO 0.21 -1.45 1.18 -2.65 -0.00 0.00 0.00 175.17 172.47 2wby n PRO 100 N -0.97 1.68 0.28 8.23 -0.02 -1.26 -4.85 135.00 138.09 2wby n PRO 100 Ca 0.10 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.32 2wby n PRO 100 Cb 0.46 -2.09 0.84 0.00 -0.02 0.00 0.00 33.50 32.69 2wby n PRO 100 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2wby h PRO 101 N 2.74 0.00 -0.10 0.52 0.11 -1.98 -2.09 132.00 131.20 2wby h PRO 101 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wby h PRO 101 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2wby h PRO 101 CO 0.65 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 178.77 2wby n ASN 102 N -3.62 2.23 -3.29 -2.05 2.04 -1.26 -4.56 115.26 104.75 2wby n ASN 102 Ca -0.02 -1.75 -0.25 0.00 -0.44 0.00 0.00 54.58 52.12 2wby n ASN 102 Cb 0.17 -0.05 -0.08 0.00 -2.53 0.00 0.00 39.78 37.29 2wby n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2wby n ILE 103 N 0.72 -0.29 -1.68 1.53 5.41 -0.79 -4.89 119.36 119.37 2wby n ILE 103 Ca 0.17 -4.10 -0.45 0.00 1.00 0.00 0.00 62.75 59.37 2wby n ILE 103 Cb 0.45 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.42 2wby n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wby n ALA 104 N 1.62 1.54 -0.35 -1.39 0.00 -1.26 -1.86 120.51 118.82 2wby n ALA 104 Ca 0.24 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2wby n ALA 104 Cb 0.50 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2wby n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wby n GLY 105 N 3.04 0.72 0.33 0.00 0.00 -1.22 -4.31 105.19 103.75 2wby n GLY 105 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2wby n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wby h LEU 106 N 0.00 0.80 -0.32 0.99 5.85 -1.66 0.18 115.31 121.15 2wby h LEU 106 Ca 0.00 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 2wby h LEU 106 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2wby h LEU 106 CO 0.00 0.45 -0.85 0.77 -0.34 0.00 0.00 178.44 178.47 2wby h SER 107 N 0.90 0.18 -0.09 1.25 4.64 -1.90 0.14 113.55 118.68 2wby h SER 107 Ca 0.44 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2wby h SER 107 Cb 0.40 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2wby h SER 107 CO -0.25 0.95 0.05 -0.74 -0.87 0.00 0.00 176.83 175.97 2wby h HIS 108 N 0.08 0.13 -0.69 4.77 -0.00 -1.66 -0.97 115.15 116.81 2wby h HIS 108 Ca -0.03 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.38 2wby h HIS 108 Cb 1.48 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.80 2wby h HIS 108 CO 0.02 0.18 0.41 0.35 -0.00 0.00 0.00 177.93 178.90 2wby h PHE 109 N 0.03 0.76 -0.50 5.26 3.57 -0.27 -0.48 116.94 125.32 2wby h PHE 109 Ca 0.03 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 2wby h PHE 109 Cb 0.10 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 2wby h PHE 109 CO -0.04 0.41 0.23 1.25 -2.23 0.00 0.00 178.31 177.93 2wby h LEU 110 N 0.78 0.31 -0.91 0.59 6.46 -0.60 -0.89 115.31 121.05 2wby h LEU 110 Ca 0.29 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.19 2wby h LEU 110 Cb 0.10 -0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 39.93 2wby h LEU 110 CO -0.14 0.22 0.55 -0.61 -0.62 0.00 0.00 178.44 177.84 2wby h GLN 111 N 0.45 0.87 -0.77 1.25 -0.00 0.29 0.98 115.11 118.18 2wby h GLN 111 Ca 0.22 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.78 2wby h GLN 111 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.41 2wby h GLN 111 CO -0.18 0.57 0.30 0.45 0.00 0.00 0.00 178.83 179.98 2wby h HIS 112 N 0.89 1.18 0.00 3.99 3.86 -0.30 -3.28 115.15 121.50 2wby h HIS 112 Ca 0.45 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.47 2wby h HIS 112 Cb 0.42 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2wby h HIS 112 CO -0.03 0.90 -0.44 0.52 0.86 0.00 0.00 177.93 179.73 2wby h MET 113 N 1.12 0.00 -0.03 2.45 2.86 0.44 -3.13 114.93 118.64 2wby h MET 113 Ca 0.26 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.91 2wby h MET 113 Cb 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2wby h MET 113 CO -0.02 0.44 0.06 -0.07 1.06 0.00 0.00 176.91 178.38 2wby h LEU 114 N 0.00 0.00 -0.01 1.22 3.38 -1.25 -1.09 115.31 117.56 2wby h LEU 114 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wby h LEU 114 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2wby h LEU 114 CO 0.06 0.00 -0.08 0.49 0.09 0.00 0.00 178.44 179.00 2wby n PHE 115 N -3.54 0.00 -1.18 1.13 3.01 -1.18 -4.19 117.46 111.50 2wby n PHE 115 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 2wby n PHE 115 Cb 0.14 -0.44 0.24 0.00 -0.01 0.00 0.00 39.48 39.41 2wby n PHE 115 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2wby n LEU 116 N -1.47 5.90 0.00 4.37 4.77 -0.41 -4.66 117.00 125.50 2wby n LEU 116 Ca 0.07 -3.45 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 2wby n LEU 116 Cb 0.33 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2wby n LEU 116 CO 0.28 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 2wby n GLY 117 N -0.71 3.88 3.41 -0.72 0.00 -1.25 -4.37 105.19 105.43 2wby n GLY 117 Ca 0.46 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 2wby n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wby s THR 118 N -1.14 0.93 0.24 2.61 -4.23 -0.83 -0.21 115.64 113.02 2wby s THR 118 Ca 0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 2wby s THR 118 Cb 0.00 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.35 2wby s THR 118 CO 0.00 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.44 2wby h LYS 119 N 2.18 1.00 0.00 3.99 3.64 -1.57 -0.78 116.57 125.03 2wby h LYS 119 Ca -0.39 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 58.76 2wby h LYS 119 Cb 1.25 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2wby h LYS 119 CO 0.66 0.66 -0.94 -0.22 -2.27 0.00 0.00 179.45 177.34 2wby h LYS 120 N 1.03 0.00 -2.31 1.90 1.63 -1.97 -3.38 116.57 113.48 2wby h LYS 120 Ca 0.38 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.59 2wby h LYS 120 Cb 0.14 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.38 2wby h LYS 120 CO -0.16 0.57 -0.97 0.66 -3.45 0.00 0.00 179.45 176.09 2wby n TYR 121 N -3.16 -0.31 0.61 1.91 4.02 -1.00 -4.98 117.16 114.25 2wby n TYR 121 Ca -0.03 -3.48 0.12 0.00 -0.01 0.00 0.00 57.90 54.51 2wby n TYR 121 Cb 0.84 0.01 0.46 0.00 -0.02 0.00 0.00 39.34 40.62 2wby n TYR 121 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2wby n PRO 122 N 2.32 0.17 -1.79 -0.72 -0.04 -0.33 -1.96 135.00 132.64 2wby n PRO 122 Ca 0.27 0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 2wby n PRO 122 Cb 0.48 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 2wby n PRO 122 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2wby s LYS 123 N -3.13 4.14 0.35 0.54 2.20 -1.26 -4.63 119.74 117.94 2wby s LYS 123 Ca 0.09 2.55 0.08 0.00 -0.36 0.00 0.00 55.97 58.33 2wby s LYS 123 Cb 0.12 -3.06 0.80 0.00 -1.51 0.00 0.00 37.83 34.19 2wby s LYS 123 CO 0.49 -0.65 1.85 1.49 -0.36 0.00 0.00 175.35 178.17 2wby h GLU 124 N 5.65 0.69 0.00 4.03 4.81 -1.87 -1.56 114.58 126.33 2wby h GLU 124 Ca -0.45 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2wby h GLU 124 Cb 1.21 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 2wby h GLU 124 CO 0.85 0.46 -0.47 0.27 -0.73 0.00 0.00 179.01 179.39 2wby n ASN 125 N -4.59 1.66 -0.30 1.04 2.04 -1.26 -3.88 115.26 109.97 2wby n ASN 125 Ca 0.19 -3.36 0.12 0.00 -0.44 0.00 0.00 54.58 51.09 2wby n ASN 125 Cb 0.49 -0.46 0.36 0.00 -2.53 0.00 0.00 39.78 37.65 2wby n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2wby h GLU 126 N 0.73 0.70 0.04 -3.83 4.57 -1.60 -1.40 114.58 113.79 2wby h GLU 126 Ca -0.03 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2wby h GLU 126 Cb 1.15 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2wby h GLU 126 CO 0.01 0.46 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.36 2wby h TYR 127 N 0.72 -0.05 0.00 0.92 5.03 -1.83 -0.82 116.97 120.94 2wby h TYR 127 Ca 0.49 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.64 2wby h TYR 127 Cb 0.78 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.06 2wby h TYR 127 CO -0.00 0.45 -0.73 0.66 -1.32 0.00 0.00 178.16 177.22 2wby h SER 128 N -0.58 0.00 -0.36 -2.11 4.64 -1.84 -1.80 113.55 111.49 2wby h SER 128 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2wby h SER 128 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2wby h SER 128 CO 0.01 0.73 -0.27 -0.61 -0.87 0.00 0.00 176.83 175.82 2wby h GLN 129 N 0.00 0.81 -0.36 4.77 4.15 -1.30 -0.74 115.11 122.44 2wby h GLN 129 Ca -0.01 -0.40 0.07 0.00 0.77 0.00 0.00 58.65 59.08 2wby h GLN 129 Cb 1.42 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.04 2wby h GLN 129 CO 0.09 1.03 -0.03 0.35 -1.93 0.00 0.00 178.83 178.34 2wby h PHE 130 N 0.60 -0.08 -0.04 3.99 3.57 -0.86 -0.70 116.94 123.43 2wby h PHE 130 Ca 0.07 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2wby h PHE 130 Cb 0.84 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2wby h PHE 130 CO 0.06 -0.10 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.91 2wby h LEU 131 N 0.06 -0.18 -0.89 0.59 3.38 -1.13 -2.41 115.31 114.73 2wby h LEU 131 Ca 0.18 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.30 2wby h LEU 131 Cb 0.25 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 2wby h LEU 131 CO -0.32 -0.09 0.51 -1.28 0.09 0.00 0.00 178.44 177.35 2wby h SER 132 N -0.09 0.72 0.40 -0.43 0.87 -0.88 0.31 113.55 114.45 2wby h SER 132 Ca 0.04 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2wby h SER 132 Cb 0.14 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2wby h SER 132 CO -0.09 0.38 0.00 -0.62 -0.53 0.00 0.00 176.83 175.96 2wby n GLU 133 N -4.74 0.59 -1.46 2.24 1.02 -0.29 -3.32 120.64 114.68 2wby n GLU 133 Ca 0.16 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 2wby n GLU 133 Cb 0.34 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.34 2wby n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wby n HIS 134 N -1.20 0.37 -2.05 -0.32 8.25 0.35 -4.64 115.22 115.98 2wby n HIS 134 Ca 0.17 -1.13 -0.17 0.00 -0.26 0.00 0.00 57.72 56.33 2wby n HIS 134 Cb 0.20 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2wby n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wby n ALA 135 N -0.19 -0.42 -4.02 -1.41 0.00 -0.74 -1.06 120.51 112.67 2wby n ALA 135 Ca 0.13 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 2wby n ALA 135 Cb 0.96 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2wby n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wby n GLY 136 N -0.98 2.87 3.75 0.00 0.00 0.80 -4.38 105.19 107.24 2wby n GLY 136 Ca -0.19 -2.31 -0.06 0.00 0.00 0.00 0.00 46.02 43.46 2wby n GLY 136 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wby s SER 137 N -4.17 -0.25 -0.05 1.61 1.04 -0.84 -4.14 113.70 106.90 2wby s SER 137 Ca 0.27 -0.42 -0.27 0.00 0.48 0.00 0.00 55.95 56.01 2wby s SER 137 Cb -0.02 0.57 0.06 0.00 0.10 0.00 0.00 66.02 66.73 2wby s SER 137 CO 0.17 -1.05 0.59 -0.55 0.98 0.00 0.00 173.24 173.38 2wby s SER 138 N -2.88 -0.55 0.04 7.02 0.15 -1.26 -0.81 113.70 115.41 2wby s SER 138 Ca 0.10 0.60 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 2wby s SER 138 Cb -0.03 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2wby s SER 138 CO 0.02 -0.55 0.06 -3.20 1.20 0.00 0.00 173.24 170.77 2wby n ASN 139 N 1.09 -0.17 -3.51 5.45 2.85 0.02 -4.99 115.26 116.00 2wby n ASN 139 Ca -0.19 -1.17 -0.13 0.00 -0.11 0.00 0.00 54.58 52.97 2wby n ASN 139 Cb 0.57 0.30 -0.04 0.00 1.24 0.00 0.00 39.78 41.84 2wby n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wby s ALA 140 N -1.45 -1.79 0.12 5.20 0.00 -1.26 -0.88 121.76 121.70 2wby s ALA 140 Ca 0.02 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 2wby s ALA 140 Cb -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2wby s ALA 140 CO 0.02 -0.49 0.09 -0.59 0.00 0.00 0.00 175.76 174.79 2wby s PHE 141 N -1.99 0.69 -0.17 0.00 -0.71 -0.03 -4.98 117.98 110.80 2wby s PHE 141 Ca -0.04 -1.10 0.00 0.00 -1.04 0.00 0.00 56.93 54.76 2wby s PHE 141 Cb -0.00 -0.37 0.03 0.00 -1.21 0.00 0.00 43.02 41.47 2wby s PHE 141 CO 0.00 -0.53 -0.10 0.99 -1.34 0.00 0.00 175.22 174.24 2wby s THR 142 N -4.01 1.47 0.00 -4.49 2.01 -1.26 -1.13 115.64 108.23 2wby s THR 142 Ca 0.19 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.44 2wby s THR 142 Cb 0.07 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 71.08 2wby s THR 142 CO -0.01 0.27 0.00 -1.54 -0.69 0.00 0.00 174.62 172.65 2wby n SER 143 N 4.77 0.73 0.18 3.53 3.41 -0.32 -4.93 113.62 120.99 2wby n SER 143 Ca -0.15 -0.57 0.03 0.00 -0.26 0.00 0.00 58.87 57.93 2wby n SER 143 Cb 0.48 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.78 2wby n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wby h GLY 144 N 0.00 0.00 0.00 5.00 0.00 -1.95 -1.77 103.07 104.35 2wby h GLY 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wby h GLY 144 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2wby n GLU 145 N -3.84 1.08 -3.91 4.80 1.02 -1.26 -0.89 120.64 117.65 2wby n GLU 145 Ca -0.01 -0.91 -0.11 0.00 -0.02 0.00 0.00 57.16 56.11 2wby n GLU 145 Cb 0.46 -0.88 -0.11 0.00 -0.02 0.00 0.00 31.44 30.90 2wby n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wby s HIS 146 N -0.46 0.10 -0.10 -0.32 3.76 -1.18 -1.98 115.29 115.12 2wby s HIS 146 Ca 0.00 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.69 2wby s HIS 146 Cb 0.00 -0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.62 2wby s HIS 146 CO 0.00 -0.23 -0.11 0.99 -0.85 0.00 0.00 174.74 174.54 2wby s THR 147 N -1.25 1.18 -0.13 1.30 2.01 0.11 -1.17 115.64 117.69 2wby s THR 147 Ca -0.13 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2wby s THR 147 Cb -0.08 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.33 2wby s THR 147 CO 0.01 0.38 -0.13 0.21 -0.69 0.00 0.00 174.62 174.40 2wby s ASN 148 N 1.21 2.47 -0.07 3.53 2.47 -0.29 0.04 114.94 124.30 2wby s ASN 148 Ca -0.04 -0.42 0.05 0.00 0.42 0.00 0.00 52.86 52.87 2wby s ASN 148 Cb -0.14 -1.07 -0.00 0.00 -1.45 0.00 0.00 41.25 38.59 2wby s ASN 148 CO -0.03 -0.04 -0.22 -0.31 -3.72 0.00 0.00 177.10 172.77 2wby s TYR 149 N 1.34 2.26 0.02 0.43 1.51 0.07 -0.85 117.35 122.13 2wby s TYR 149 Ca 0.01 -0.76 -0.15 0.00 -1.01 0.00 0.00 57.07 55.15 2wby s TYR 149 Cb -0.14 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2wby s TYR 149 CO -0.07 -0.27 0.33 1.52 -1.11 0.00 0.00 175.55 175.95 2wby s TYR 150 N 0.10 -0.16 0.11 2.71 -0.85 -0.06 -1.35 117.35 117.85 2wby s TYR 150 Ca -0.09 0.12 -0.08 0.00 -0.52 0.00 0.00 57.07 56.50 2wby s TYR 150 Cb -0.15 0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.30 2wby s TYR 150 CO 0.05 -0.48 0.19 -0.59 -1.52 0.00 0.00 175.55 173.20 2wby s PHE 151 N -2.14 0.29 0.35 -3.49 -0.12 -0.49 -0.80 117.98 111.58 2wby s PHE 151 Ca -0.08 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.13 2wby s PHE 151 Cb -0.02 -0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 2wby s PHE 151 CO -0.01 -0.58 0.07 0.16 -0.05 0.00 0.00 175.22 174.81 2wby s ASP 152 N -2.91 2.55 0.03 1.98 3.84 0.01 -1.93 116.67 120.25 2wby s ASP 152 Ca 0.10 -1.45 -0.28 0.00 -0.00 0.00 0.00 52.55 50.92 2wby s ASP 152 Cb 0.05 0.06 0.09 0.00 -1.38 0.00 0.00 42.92 41.74 2wby s ASP 152 CO -0.07 -0.68 0.89 0.54 -0.00 0.00 0.00 175.17 175.85 2wby s VAL 153 N -3.25 0.00 0.31 2.11 0.11 -0.01 -1.98 120.40 117.69 2wby s VAL 153 Ca 0.33 -0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 58.97 2wby s VAL 153 Cb 0.07 -1.18 -0.13 0.00 -1.53 0.00 0.00 36.38 33.62 2wby s VAL 153 CO 0.15 0.00 1.34 -0.24 -3.33 0.00 0.00 175.10 173.01 2wby n SER 154 N -0.29 2.80 0.31 3.54 2.88 -0.22 0.22 113.62 122.85 2wby n SER 154 Ca -0.09 1.19 0.19 0.00 -1.33 0.00 0.00 58.87 58.83 2wby n SER 154 Cb 0.62 -1.47 1.01 0.00 -0.75 0.00 0.00 64.21 63.61 2wby n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2wby h HIS 155 N 3.13 0.00 0.00 0.66 2.07 -1.61 0.23 115.15 119.62 2wby h HIS 155 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2wby h HIS 155 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2wby h HIS 155 CO 0.53 0.02 0.00 0.39 -3.07 0.00 0.00 177.93 175.80 2wby n GLU 156 N -3.38 0.14 -0.60 5.12 1.02 -1.26 -3.83 120.64 117.85 2wby n GLU 156 Ca -0.02 0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.22 2wby n GLU 156 Cb 0.13 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.23 2wby n GLU 156 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wby n HIS 157 N -1.42 0.00 0.05 -0.32 8.25 0.80 -4.79 115.22 117.78 2wby n HIS 157 Ca 0.09 -1.35 -0.11 0.00 -0.26 0.00 0.00 57.72 56.09 2wby n HIS 157 Cb 0.28 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 2wby n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wby h LEU 158 N 0.86 -0.79 -0.60 2.41 6.46 -1.66 -0.75 115.31 121.23 2wby h LEU 158 Ca -0.02 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2wby h LEU 158 Cb 1.07 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 41.30 2wby h LEU 158 CO 0.01 -0.33 0.39 -0.08 -0.62 0.00 0.00 178.44 177.81 2wby h GLU 159 N -0.39 0.80 -0.28 1.25 4.81 -1.91 0.49 114.58 119.35 2wby h GLU 159 Ca 0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2wby h GLU 159 Cb 0.49 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2wby h GLU 159 CO -0.25 0.54 0.17 0.78 -0.73 0.00 0.00 179.01 179.52 2wby h GLY 160 N 0.82 0.42 0.99 1.92 0.00 -1.89 0.17 103.07 105.49 2wby h GLY 160 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2wby h GLY 160 CO -0.05 0.17 0.28 0.00 0.00 0.00 0.00 176.54 176.95 2wby h ALA 161 N 1.05 0.73 -0.31 3.60 0.00 -0.33 -2.96 119.26 121.04 2wby h ALA 161 Ca 0.10 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2wby h ALA 161 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wby h ALA 161 CO -0.02 0.29 -0.42 1.25 0.00 0.00 0.00 179.25 180.35 2wby h LEU 162 N 0.77 0.84 -0.40 0.00 5.85 0.40 -1.20 115.31 121.56 2wby h LEU 162 Ca 0.20 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2wby h LEU 162 Cb 0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2wby h LEU 162 CO -0.03 1.14 0.26 -0.78 -0.34 0.00 0.00 178.44 178.69 2wby h ASP 163 N 0.63 0.47 -0.64 1.25 -0.00 -0.68 0.23 116.42 117.68 2wby h ASP 163 Ca 0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.02 2wby h ASP 163 Cb 0.98 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 40.16 2wby h ASP 163 CO 0.09 0.36 0.31 0.03 -0.00 0.00 0.00 179.24 180.03 2wby h ARG 164 N 0.54 0.92 -0.67 0.28 3.08 -1.26 -2.39 114.38 114.87 2wby h ARG 164 Ca 0.15 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2wby h ARG 164 Cb -0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2wby h ARG 164 CO -0.03 0.74 0.29 0.35 -1.07 0.00 0.00 179.97 180.25 2wby h PHE 165 N 0.88 1.00 -0.20 3.04 3.04 -0.85 -2.78 116.94 121.07 2wby h PHE 165 Ca 0.22 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.11 2wby h PHE 165 Cb 0.12 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 2wby h PHE 165 CO 0.00 0.77 0.13 0.00 -2.02 0.00 0.00 178.31 177.19 2wby h ALA 166 N 1.13 1.88 0.00 2.41 0.00 -0.04 -1.11 119.26 123.54 2wby h ALA 166 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wby h ALA 166 Cb 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wby h ALA 166 CO -0.02 0.11 -0.10 1.96 0.00 0.00 0.00 179.25 181.20 2wby h GLN 167 N 0.25 0.00 -1.15 0.00 1.08 -1.32 0.16 115.11 114.14 2wby h GLN 167 Ca 0.07 0.00 0.32 0.00 -1.45 0.00 0.00 58.65 57.60 2wby h GLN 167 Cb -0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.34 2wby h GLN 167 CO -0.02 0.10 0.77 0.74 -0.95 0.00 0.00 178.83 179.48 2wby h PHE 168 N 0.00 0.39 -0.58 2.96 -1.00 -1.31 -0.66 116.94 116.74 2wby h PHE 168 Ca -0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2wby h PHE 168 Cb 0.20 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.65 2wby h PHE 168 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 2wby n PHE 169 N -4.46 1.01 0.00 -0.55 3.72 0.56 -4.33 117.46 113.40 2wby n PHE 169 Ca 0.27 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2wby n PHE 169 Cb 1.10 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 2wby n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2wby n LEU 170 N 1.07 0.57 -2.74 4.37 4.77 -0.35 -4.79 117.00 119.90 2wby n LEU 170 Ca 0.22 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2wby n LEU 170 Cb 0.67 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.81 2wby n LEU 170 CO 0.17 -0.00 0.26 -1.54 -1.33 0.00 0.00 177.39 174.95 2wby n SER 171 N -2.71 -2.68 -4.74 -1.43 3.41 -0.61 -5.08 113.62 99.79 2wby n SER 171 Ca 0.00 -2.98 -0.37 0.00 -0.26 0.00 0.00 58.87 55.26 2wby n SER 171 Cb 0.37 1.63 0.05 0.00 -0.26 0.00 0.00 64.21 66.00 2wby n SER 171 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2wby s PRO 172 N 0.63 2.74 0.13 4.33 0.04 -1.25 -1.50 135.00 140.11 2wby s PRO 172 Ca 0.31 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.43 2wby s PRO 172 Cb 0.20 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 2wby s PRO 172 CO -0.20 -1.43 1.16 -0.07 0.04 0.00 0.00 177.00 176.50 2wby h LEU 173 N 0.70 0.00 -2.60 -3.56 3.38 -0.90 -3.45 115.31 108.89 2wby h LEU 173 Ca -0.51 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.86 2wby h LEU 173 Cb 1.32 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 2wby h LEU 173 CO 0.54 0.80 -0.98 0.49 0.09 0.00 0.00 178.44 179.39 2wby n PHE 174 N -3.20 -1.32 -1.53 1.13 3.01 -1.26 -4.79 117.46 109.49 2wby n PHE 174 Ca -0.03 0.47 -0.49 0.00 1.01 0.00 0.00 57.45 58.40 2wby n PHE 174 Cb 0.89 -2.86 -0.04 0.00 -0.01 0.00 0.00 39.48 37.46 2wby n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wby n ASP 175 N -2.69 0.55 -0.29 4.37 2.03 -1.26 -4.76 116.55 114.51 2wby n ASP 175 Ca -0.27 1.15 -0.03 0.00 0.52 0.00 0.00 54.79 56.16 2wby n ASP 175 Cb 0.66 -1.13 0.12 0.00 -0.72 0.00 0.00 41.12 40.05 2wby n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2wby h GLU 176 N 2.47 1.17 0.22 -0.67 4.57 -1.99 0.56 114.58 120.89 2wby h GLU 176 Ca -0.40 -0.14 -0.34 0.00 -1.18 0.00 0.00 59.36 57.30 2wby h GLU 176 Cb 1.38 -0.22 0.02 0.00 -0.16 0.00 0.00 28.75 29.77 2wby h GLU 176 CO 0.64 0.87 -1.56 1.03 -1.18 0.00 0.00 179.01 178.81 2wby h SER 177 N 1.17 0.72 -0.54 1.04 0.87 -2.00 -2.33 113.55 112.47 2wby h SER 177 Ca 0.29 -0.86 0.10 0.00 -1.23 0.00 0.00 61.79 60.09 2wby h SER 177 Cb 0.06 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 61.70 2wby h SER 177 CO -0.04 1.69 0.06 0.00 -0.53 0.00 0.00 176.83 178.01 2wby h ALA 178 N 0.20 0.57 -0.18 6.23 0.00 -1.87 -1.56 119.26 122.65 2wby h ALA 178 Ca -0.28 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wby h ALA 178 Cb 2.13 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 2wby h ALA 178 CO 0.23 -0.35 0.12 -0.22 0.00 0.00 0.00 179.25 179.03 2wby h LYS 179 N 0.19 0.23 0.00 0.00 3.64 0.21 0.14 116.57 120.98 2wby h LYS 179 Ca 0.28 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2wby h LYS 179 Cb 0.41 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2wby h LYS 179 CO -0.40 0.15 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.34 2wby h ASP 180 N 0.24 0.00 0.05 4.20 3.32 -1.16 -2.83 116.42 120.24 2wby h ASP 180 Ca 0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2wby h ASP 180 Cb -0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2wby h ASP 180 CO -0.02 0.15 -0.31 0.03 -1.72 0.00 0.00 179.24 177.37 2wby h ARG 181 N 0.00 0.13 0.00 3.56 3.08 -0.69 -3.38 114.38 117.08 2wby h ARG 181 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2wby h ARG 181 Cb 0.29 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wby h ARG 181 CO 0.02 1.06 0.00 1.49 -1.07 0.00 0.00 179.97 181.47 2wby h GLU 182 N -0.71 0.00 0.00 0.04 4.57 -0.51 -1.24 114.58 116.73 2wby h GLU 182 Ca -0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2wby h GLU 182 Cb 1.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2wby h GLU 182 CO 0.06 0.00 -0.04 -0.24 -1.18 0.00 0.00 179.01 177.61 2wby h VAL 183 N 0.00 0.49 -0.29 0.32 3.04 -1.68 0.01 116.25 118.13 2wby h VAL 183 Ca 0.00 -0.17 -0.15 0.00 -1.01 0.00 0.00 66.70 65.37 2wby h VAL 183 Cb 0.55 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2wby h VAL 183 CO 0.00 0.04 -0.43 0.78 -1.01 0.00 0.00 177.57 176.95 2wby h ASN 184 N 0.00 0.78 -0.47 3.17 4.21 -1.45 -1.42 115.58 120.41 2wby h ASN 184 Ca -0.00 -0.37 0.02 0.00 1.21 0.00 0.00 56.30 57.16 2wby h ASN 184 Cb 0.11 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 37.06 2wby h ASN 184 CO 0.00 1.10 0.28 0.00 -1.29 0.00 0.00 177.43 177.53 2wby h ALA 185 N 0.93 0.59 -0.34 -0.83 0.00 -1.14 -0.07 119.26 118.40 2wby h ALA 185 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2wby h ALA 185 Cb 0.98 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2wby h ALA 185 CO 0.09 -0.02 0.09 0.28 0.00 0.00 0.00 179.25 179.69 2wby h VAL 186 N 0.56 1.22 -0.93 0.00 2.07 -1.38 -0.09 116.25 117.70 2wby h VAL 186 Ca 0.18 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.06 2wby h VAL 186 Cb 0.00 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 2wby h VAL 186 CO -0.08 0.25 0.58 -0.78 0.02 0.00 0.00 177.57 177.56 2wby h ASP 187 N 0.40 0.88 -0.30 0.57 3.58 -0.93 -1.39 116.42 119.23 2wby h ASP 187 Ca 0.11 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 2wby h ASP 187 Cb 0.29 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2wby h ASP 187 CO 0.00 0.53 -0.30 -1.28 -2.88 0.00 0.00 179.24 175.31 2wby h SER 188 N 1.00 0.85 -0.36 2.28 0.87 -0.70 0.18 113.55 117.66 2wby h SER 188 Ca 0.43 -0.34 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2wby h SER 188 Cb 0.29 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 2wby h SER 188 CO -0.21 1.08 -0.00 -0.08 -0.53 0.00 0.00 176.83 177.09 2wby h GLU 189 N 0.69 0.10 -0.18 2.24 4.81 -0.47 -0.99 114.58 120.78 2wby h GLU 189 Ca 0.08 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 2wby h GLU 189 Cb 0.84 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2wby h GLU 189 CO 0.07 0.06 -0.41 1.25 -0.73 0.00 0.00 179.01 179.26 2wby h HIS 190 N 0.10 0.75 -0.54 0.92 2.76 -0.98 -3.16 115.15 115.00 2wby h HIS 190 Ca 0.17 -0.28 0.10 0.00 -2.20 0.00 0.00 60.37 58.17 2wby h HIS 190 Cb 0.24 -0.14 -0.11 0.00 1.55 0.00 0.00 27.41 28.96 2wby h HIS 190 CO -0.25 1.04 -0.28 0.93 -1.30 0.00 0.00 177.93 178.07 2wby h GLU 191 N 0.25 -0.14 -1.04 5.26 4.39 -0.24 0.13 114.58 123.20 2wby h GLU 191 Ca -0.00 0.01 0.27 0.00 0.34 0.00 0.00 59.36 59.98 2wby h GLU 191 Cb 1.01 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.58 2wby h GLU 191 CO 0.09 -0.09 0.64 -0.22 -1.16 0.00 0.00 179.01 178.27 2wby h LYS 192 N -0.14 0.44 0.00 2.33 3.64 -1.16 -2.25 116.57 119.43 2wby h LYS 192 Ca 0.24 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2wby h LYS 192 Cb 0.52 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2wby h LYS 192 CO -0.63 0.29 -0.32 -0.91 -2.27 0.00 0.00 179.45 175.61 2wby h ASN 193 N 0.45 0.00 -0.94 4.20 2.35 -0.76 -3.39 115.58 117.50 2wby h ASN 193 Ca 0.64 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 56.66 2wby h ASN 193 Cb 1.46 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.69 2wby h ASN 193 CO -0.41 0.28 0.39 0.58 -1.65 0.00 0.00 177.43 176.62 2wby h VAL 194 N 0.00 0.33 -0.43 2.81 2.07 -0.65 -0.64 116.25 119.74 2wby h VAL 194 Ca -0.01 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2wby h VAL 194 Cb 1.22 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2wby h VAL 194 CO 0.04 0.05 0.00 0.23 0.02 0.00 0.00 177.57 177.91 2wby n MET 195 N -5.13 3.01 -2.81 1.57 2.81 -1.26 -4.80 117.12 110.50 2wby n MET 195 Ca 0.26 -2.40 -0.42 0.00 -1.81 0.00 0.00 57.70 53.33 2wby n MET 195 Cb 0.80 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.77 2wby n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2wby s ASN 196 N -1.15 7.15 0.24 7.83 2.47 -0.25 -4.86 114.94 126.37 2wby s ASN 196 Ca 0.34 1.41 -0.07 0.00 0.42 0.00 0.00 52.86 54.96 2wby s ASN 196 Cb 0.21 -2.51 0.25 0.00 -1.45 0.00 0.00 41.25 37.75 2wby s ASN 196 CO 0.18 -0.33 1.90 0.44 -3.72 0.00 0.00 177.10 175.58 2wby h ASP 197 N 7.02 1.02 -0.43 -4.21 3.45 -1.91 -2.42 116.42 118.93 2wby h ASP 197 Ca -0.35 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.04 2wby h ASP 197 Cb 1.17 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.68 2wby h ASP 197 CO 0.80 0.72 0.05 0.00 -1.57 0.00 0.00 179.24 179.25 2wby h ALA 198 N 1.35 0.58 -0.65 3.45 0.00 -1.94 -0.91 119.26 121.14 2wby h ALA 198 Ca 0.34 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2wby h ALA 198 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2wby h ALA 198 CO -0.09 0.32 0.17 -1.49 0.00 0.00 0.00 179.25 178.15 2wby h TRP 199 N 0.59 1.06 -0.53 0.00 4.06 -1.75 0.24 115.95 119.62 2wby h TRP 199 Ca 0.13 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 2wby h TRP 199 Cb 0.41 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 2wby h TRP 199 CO 0.03 0.86 0.05 0.00 -3.56 0.00 0.00 178.44 175.82 2wby h ARG 200 N 0.97 0.90 -0.41 0.49 3.08 -1.30 -1.73 114.38 116.38 2wby h ARG 200 Ca 0.21 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 2wby h ARG 200 Cb 0.33 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2wby h ARG 200 CO -0.00 0.90 0.03 -0.07 -1.07 0.00 0.00 179.97 179.76 2wby h LEU 201 N 0.78 0.69 -0.55 3.04 4.07 -0.54 -0.42 115.31 122.37 2wby h LEU 201 Ca 0.16 -0.29 0.11 0.00 0.08 0.00 0.00 57.88 57.93 2wby h LEU 201 Cb 0.46 -0.18 -0.11 0.00 1.08 0.00 0.00 40.66 41.91 2wby h LEU 201 CO 0.02 0.81 -0.25 0.15 -1.08 0.00 0.00 178.44 178.08 2wby h PHE 202 N 0.55 -0.66 0.01 1.13 3.04 -0.23 -1.40 116.94 119.39 2wby h PHE 202 Ca 0.12 0.06 -0.20 0.00 3.98 0.00 0.00 57.97 61.93 2wby h PHE 202 Cb 0.44 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 2wby h PHE 202 CO 0.03 -0.33 -0.90 0.37 -2.02 0.00 0.00 178.31 175.46 2wby h GLN 203 N -0.12 0.19 -0.73 1.11 5.75 -1.19 -3.11 115.11 117.01 2wby h GLN 203 Ca 0.25 -0.22 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2wby h GLN 203 Cb 0.51 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.08 2wby h GLN 203 CO -0.63 0.97 0.46 1.25 -2.65 0.00 0.00 178.83 178.23 2wby h LEU 204 N 0.10 0.75 -0.82 -2.39 5.85 -0.83 0.21 115.31 118.19 2wby h LEU 204 Ca -0.05 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2wby h LEU 204 Cb 1.54 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2wby h LEU 204 CO 0.14 0.52 0.49 -0.08 -0.34 0.00 0.00 178.44 179.17 2wby h GLU 205 N 0.90 1.11 -0.29 1.25 4.81 -1.20 -1.77 114.58 119.39 2wby h GLU 205 Ca 0.30 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2wby h GLU 205 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2wby h GLU 205 CO -0.11 0.79 -0.21 0.87 -0.73 0.00 0.00 179.01 179.61 2wby h LYS 206 N 1.13 0.55 0.00 1.92 1.57 -1.34 -2.54 116.57 117.85 2wby h LYS 206 Ca 0.29 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2wby h LYS 206 Cb -0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2wby h LYS 206 CO -0.06 0.73 -0.09 0.00 -0.57 0.00 0.00 179.45 179.46 2wby h ALA 207 N 1.28 1.04 -0.26 3.86 0.00 0.23 -3.17 119.26 122.24 2wby h ALA 207 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wby h ALA 207 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wby h ALA 207 CO 0.05 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.66 2wby n THR 208 N -3.26 0.40 -1.49 0.00 -2.24 -0.78 -4.86 114.28 102.05 2wby n THR 208 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2wby n THR 208 Cb 0.34 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 2wby n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wby n GLY 209 N 1.15 1.04 3.64 3.38 0.00 -1.18 -4.94 105.19 108.29 2wby n GLY 209 Ca 0.15 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 2wby n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wby n ASN 210 N -0.39 3.87 0.02 1.61 5.15 0.15 -4.84 115.26 120.82 2wby n ASN 210 Ca 0.00 0.68 0.07 0.00 -0.60 0.00 0.00 54.58 54.72 2wby n ASN 210 Cb 0.00 -1.53 0.29 0.00 -0.53 0.00 0.00 39.78 38.01 2wby n ASN 210 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wby n PRO 211 N 7.92 0.02 0.02 1.20 -0.04 -1.26 -1.52 135.00 141.34 2wby n PRO 211 Ca 0.23 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 2wby n PRO 211 Cb 0.42 -1.54 0.31 0.00 -0.04 0.00 0.00 33.50 32.64 2wby n PRO 211 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wby n LYS 212 N -1.59 0.08 -2.83 0.54 5.02 -1.26 -4.85 118.16 113.28 2wby n LYS 212 Ca 0.03 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 2wby n LYS 212 Cb 0.15 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2wby n LYS 212 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2wby s HIS 213 N -3.04 3.86 0.51 2.13 2.46 -0.58 -4.95 115.29 115.67 2wby s HIS 213 Ca 0.10 1.73 0.31 0.00 0.47 0.00 0.00 55.06 57.68 2wby s HIS 213 Cb 0.17 -2.94 1.43 0.00 -0.13 0.00 0.00 32.58 31.11 2wby s HIS 213 CO 0.67 0.33 1.81 -1.35 -2.47 0.00 0.00 174.74 173.73 2wby h PRO 214 N 5.04 0.09 -0.51 2.88 0.11 -1.89 0.91 132.00 138.63 2wby h PRO 214 Ca -0.44 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.81 2wby h PRO 214 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2wby h PRO 214 CO 0.70 0.06 0.56 0.35 -0.21 0.00 0.00 178.00 179.46 2wby h PHE 215 N 0.10 0.00 -0.23 0.65 3.04 -1.91 0.15 116.94 118.74 2wby h PHE 215 Ca 0.55 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.50 2wby h PHE 215 Cb 1.99 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.50 2wby h PHE 215 CO -0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 178.31 175.16 2wby n SER 216 N -3.64 1.52 -4.73 0.41 3.41 0.31 -4.75 113.62 106.15 2wby n SER 216 Ca 0.10 -1.85 -0.30 0.00 -0.26 0.00 0.00 58.87 56.56 2wby n SER 216 Cb 0.76 -0.15 0.12 0.00 -0.26 0.00 0.00 64.21 64.69 2wby n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wby s LYS 217 N -1.70 1.62 -0.45 4.33 1.02 0.52 -4.80 119.74 120.29 2wby s LYS 217 Ca 0.25 1.11 -0.10 0.00 0.02 0.00 0.00 55.97 57.25 2wby s LYS 217 Cb 0.13 -1.83 0.09 0.00 -0.52 0.00 0.00 37.83 35.71 2wby s LYS 217 CO 0.19 -2.07 0.32 0.12 -0.92 0.00 0.00 175.35 172.99 2wby s PHE 218 N -2.86 3.34 0.27 3.18 5.36 -1.26 -4.97 117.98 121.04 2wby s PHE 218 Ca 0.63 -1.52 0.07 0.00 -0.96 0.00 0.00 56.93 55.15 2wby s PHE 218 Cb -0.19 -3.18 0.34 0.00 -0.34 0.00 0.00 43.02 39.65 2wby s PHE 218 CO 0.57 -0.89 1.61 0.78 -1.46 0.00 0.00 175.22 175.83 2wby h GLY 219 N 8.50 0.15 0.65 13.12 0.00 -1.94 -3.22 103.07 120.32 2wby h GLY 219 Ca -0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 2wby h GLY 219 CO 0.82 0.16 -0.06 -0.84 0.00 0.00 0.00 176.54 176.62 2wby h THR 220 N 0.10 1.35 -0.59 4.70 2.02 -1.92 -3.34 112.91 115.23 2wby h THR 220 Ca -0.00 -1.17 0.06 0.00 0.77 0.00 0.00 66.41 66.07 2wby h THR 220 Cb 1.04 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 2wby h THR 220 CO 0.08 0.33 -0.19 0.61 0.37 0.00 0.00 175.52 176.72 2wby n GLY 221 N 0.14 -2.41 0.59 2.16 0.00 -1.25 -4.59 105.19 99.83 2wby n GLY 221 Ca -0.07 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 2wby n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wby n ASN 222 N -2.60 -0.31 -0.21 1.61 0.23 -1.26 -4.69 115.26 108.02 2wby n ASN 222 Ca -0.01 -1.29 -0.04 0.00 -0.53 0.00 0.00 54.58 52.71 2wby n ASN 222 Cb 0.12 0.54 0.06 0.00 -2.08 0.00 0.00 39.78 38.41 2wby n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2wby h LYS 223 N 0.00 0.73 0.11 -3.83 3.64 -1.89 0.01 116.57 115.33 2wby h LYS 223 Ca -0.05 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2wby h LYS 223 Cb 0.20 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 2wby h LYS 223 CO 0.07 0.48 -0.36 -0.92 -2.27 0.00 0.00 179.45 176.45 2wby h TYR 224 N 0.75 -0.99 0.00 1.91 3.20 -1.96 0.89 116.97 120.78 2wby h TYR 224 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2wby h TYR 224 Cb 0.01 0.42 0.00 0.00 1.54 0.00 0.00 36.73 38.70 2wby h TYR 224 CO -0.05 -0.46 0.00 1.79 -1.64 0.00 0.00 178.16 177.80 2wby h THR 225 N -0.58 0.00 0.00 1.81 1.35 -1.81 -0.06 112.91 113.63 2wby h THR 225 Ca 0.03 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2wby h THR 225 Cb 0.62 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2wby h THR 225 CO -0.22 0.00 -1.37 0.18 -0.25 0.00 0.00 175.52 173.86 2wby n LEU 226 N -2.99 0.13 0.10 3.87 4.32 -0.04 -4.46 117.00 117.93 2wby n LEU 226 Ca 0.03 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 2wby n LEU 226 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 2wby n LEU 226 CO 0.32 0.03 0.00 1.21 -1.22 0.00 0.00 177.39 177.73 2wby n GLU 227 N -1.80 0.00 0.12 3.23 2.13 0.24 -4.80 120.64 119.75 2wby n GLU 227 Ca -0.01 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.76 2wby n GLU 227 Cb 0.30 -0.23 -0.02 0.00 0.27 0.00 0.00 31.44 31.76 2wby n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2wby h THR 228 N 0.00 0.00 -0.59 6.31 2.02 -1.04 -0.74 112.91 118.87 2wby h THR 228 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2wby h THR 228 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.33 2wby h THR 228 CO 0.00 0.00 0.18 -0.09 0.37 0.00 0.00 175.52 175.98 2wby h ARG 229 N -0.31 0.32 -0.59 6.66 9.65 -1.27 0.14 114.38 128.98 2wby h ARG 229 Ca -0.03 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 2wby h ARG 229 Cb 0.25 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 2wby h ARG 229 CO 0.04 0.21 0.39 -1.35 2.80 0.00 0.00 179.97 182.06 2wby h PRO 230 N 0.33 0.65 0.38 0.20 0.11 -1.73 -1.52 132.00 130.43 2wby h PRO 230 Ca 0.30 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 2wby h PRO 230 Cb 0.41 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2wby h PRO 230 CO -0.34 0.43 -0.18 -0.91 -0.21 0.00 0.00 178.00 176.78 2wby h ASN 231 N 0.67 -0.44 -0.45 -2.05 -0.26 0.48 0.20 115.58 113.74 2wby h ASN 231 Ca 0.24 -0.03 0.13 0.00 -0.56 0.00 0.00 56.30 56.08 2wby h ASN 231 Cb 0.13 0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 2wby h ASN 231 CO -0.07 -0.25 0.71 1.56 -1.06 0.00 0.00 177.43 178.32 2wby h GLN 232 N -0.60 0.00 -0.13 0.81 4.20 -0.56 -1.16 115.11 117.67 2wby h GLN 232 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2wby h GLN 232 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2wby h GLN 232 CO 0.09 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.64 2wby n GLU 233 N -3.26 2.18 -1.19 1.46 1.02 -0.61 -4.95 120.64 115.29 2wby n GLU 233 Ca 0.09 -2.58 -0.06 0.00 -0.02 0.00 0.00 57.16 54.58 2wby n GLU 233 Cb 0.87 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 2wby n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wby n GLY 234 N -0.87 0.83 3.71 0.62 0.00 -0.44 -4.99 105.19 104.06 2wby n GLY 234 Ca 0.17 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2wby n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wby s ILE 235 N -2.06 4.88 -0.75 -0.61 1.01 -0.03 -5.00 121.20 118.64 2wby s ILE 235 Ca 0.00 1.97 -0.22 0.00 0.00 0.00 0.00 60.65 62.40 2wby s ILE 235 Cb 0.00 -4.28 0.08 0.00 0.01 0.00 0.00 42.46 38.27 2wby s ILE 235 CO 0.00 0.14 1.07 -0.62 0.00 0.00 0.00 174.94 175.53 2wby s ASP 236 N 1.00 6.28 0.29 3.58 -1.08 -1.26 -4.52 116.67 120.97 2wby s ASP 236 Ca 0.49 -1.16 -0.01 0.00 -0.52 0.00 0.00 52.55 51.35 2wby s ASP 236 Cb -0.20 -2.44 0.46 0.00 -1.46 0.00 0.00 42.92 39.27 2wby s ASP 236 CO 0.25 -1.42 1.93 0.58 0.52 0.00 0.00 175.17 177.02 2wby h VAL 237 N 6.02 1.14 -0.74 1.11 2.07 -1.94 0.12 116.25 124.03 2wby h VAL 237 Ca -0.17 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.05 2wby h VAL 237 Cb 1.05 -0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 2wby h VAL 237 CO 1.20 0.20 0.40 -0.09 0.02 0.00 0.00 177.57 179.31 2wby h ARG 238 N 1.12 0.68 -0.46 1.57 2.43 -1.91 0.63 114.38 118.44 2wby h ARG 238 Ca 0.36 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2wby h ARG 238 Cb 0.05 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2wby h ARG 238 CO -0.12 0.45 0.10 1.96 -1.51 0.00 0.00 179.97 180.86 2wby h GLN 239 N 0.71 0.74 -0.36 0.20 1.08 -1.27 -0.54 115.11 115.66 2wby h GLN 239 Ca 0.35 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.39 2wby h GLN 239 Cb 0.29 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2wby h GLN 239 CO -0.23 0.74 0.17 0.93 -0.95 0.00 0.00 178.83 179.50 2wby h GLU 240 N 0.61 0.35 -0.44 1.46 4.39 -0.20 0.60 114.58 121.34 2wby h GLU 240 Ca 0.14 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.91 2wby h GLU 240 Cb 0.34 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 2wby h GLU 240 CO 0.00 0.23 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.00 2wby h LEU 241 N 0.36 -0.22 -0.84 1.33 3.38 -0.75 0.16 115.31 118.72 2wby h LEU 241 Ca 0.15 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.27 2wby h LEU 241 Cb 0.07 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2wby h LEU 241 CO -0.11 -0.07 0.54 -0.07 0.09 0.00 0.00 178.44 178.81 2wby h LEU 242 N 0.09 0.89 -0.31 1.67 3.38 -0.15 -0.81 115.31 120.06 2wby h LEU 242 Ca 0.22 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 2wby h LEU 242 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wby h LEU 242 CO -0.38 0.60 -0.27 0.11 0.09 0.00 0.00 178.44 178.59 2wby h LYS 243 N 1.04 0.73 -0.44 1.13 1.57 0.11 -1.07 116.57 119.64 2wby h LYS 243 Ca 0.34 -0.37 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2wby h LYS 243 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2wby h LYS 243 CO -0.12 0.99 -0.12 0.35 -0.57 0.00 0.00 179.45 179.98 2wby h PHE 244 N 0.48 0.96 -0.10 -1.35 3.57 -0.56 0.32 116.94 120.27 2wby h PHE 244 Ca 0.05 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 2wby h PHE 244 Cb 0.84 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2wby h PHE 244 CO 0.07 0.96 0.05 1.25 -2.23 0.00 0.00 178.31 178.42 2wby h HIS 245 N 0.68 0.14 -0.39 0.41 2.76 -1.05 0.25 115.15 117.95 2wby h HIS 245 Ca 0.11 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.21 2wby h HIS 245 Cb 0.66 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 2wby h HIS 245 CO 0.05 0.17 -0.03 1.03 -1.30 0.00 0.00 177.93 177.85 2wby h SER 246 N 0.06 0.60 0.08 3.26 0.87 -1.02 0.22 113.55 117.62 2wby h SER 246 Ca 0.03 -0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 2wby h SER 246 Cb 0.08 -0.16 0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2wby h SER 246 CO -0.01 0.69 -0.63 0.00 -0.53 0.00 0.00 176.83 176.36 2wby h ALA 247 N 1.38 -0.03 0.00 6.23 0.00 0.05 -3.41 119.26 123.48 2wby h ALA 247 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wby h ALA 247 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wby h ALA 247 CO 0.02 0.30 -1.70 0.66 0.00 0.00 0.00 179.25 178.53 2wby n TYR 248 N -4.23 0.00 -2.19 0.00 4.02 0.85 -4.60 117.16 111.02 2wby n TYR 248 Ca -0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 2wby n TYR 248 Cb 0.72 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 2wby n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wby n TYR 249 N -2.04 2.90 -3.60 -0.72 0.53 0.75 -4.90 117.16 110.07 2wby n TYR 249 Ca -0.03 -2.82 -0.38 0.00 -1.02 0.00 0.00 57.90 53.66 2wby n TYR 249 Cb 0.43 -2.00 -0.06 0.00 -1.03 0.00 0.00 39.34 36.69 2wby n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2wby s SER 250 N 1.00 6.66 0.41 7.72 0.15 -1.26 -4.84 113.70 123.55 2wby s SER 250 Ca 0.44 0.79 0.19 0.00 0.70 0.00 0.00 55.95 58.07 2wby s SER 250 Cb 0.12 -2.20 1.11 0.00 -1.71 0.00 0.00 66.02 63.34 2wby s SER 250 CO -0.02 0.32 1.81 0.77 1.20 0.00 0.00 173.24 177.31 2wby h SER 251 N 5.02 0.41 0.39 5.45 4.64 -1.52 -1.14 113.55 126.81 2wby h SER 251 Ca -0.51 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2wby h SER 251 Cb 1.22 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2wby h SER 251 CO 0.62 0.12 -0.04 -0.55 -0.87 0.00 0.00 176.83 176.11 2wby h ASN 252 N 0.38 0.00 -0.57 4.97 -1.07 -1.81 -1.56 115.58 115.92 2wby h ASN 252 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.91 2wby h ASN 252 Cb 1.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.64 2wby h ASN 252 CO -0.23 0.04 0.00 0.18 0.07 0.00 0.00 177.43 177.49 2wby n LEU 253 N -3.30 4.37 -4.60 6.14 4.77 -0.43 -4.84 117.00 119.11 2wby n LEU 253 Ca -0.02 -2.21 -0.31 0.00 -0.03 0.00 0.00 56.01 53.45 2wby n LEU 253 Cb 0.19 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 2wby n LEU 253 CO 0.25 0.71 -0.39 -0.04 -1.33 0.00 0.00 177.39 176.60 2wby s MET 254 N -1.89 2.41 -0.04 3.23 -1.94 -0.59 -1.20 119.30 119.27 2wby s MET 254 Ca 0.46 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.61 2wby s MET 254 Cb 0.30 -2.44 0.02 0.00 2.01 0.00 0.00 34.83 34.72 2wby s MET 254 CO 0.21 0.56 -0.05 0.00 -0.01 0.00 0.00 175.02 175.73 2wby s ALA 255 N -1.11 0.69 -0.01 3.03 0.00 -0.46 -2.17 121.76 121.74 2wby s ALA 255 Ca 0.20 -0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.15 2wby s ALA 255 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2wby s ALA 255 CO 0.11 0.02 -0.26 0.08 0.00 0.00 0.00 175.76 175.71 2wby s VAL 256 N 0.77 2.06 -0.01 0.00 1.01 0.06 -0.22 120.40 124.07 2wby s VAL 256 Ca -0.11 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.73 2wby s VAL 256 Cb -0.13 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 2wby s VAL 256 CO 0.00 0.53 -0.08 -0.69 0.00 0.00 0.00 175.10 174.86 2wby s VAL 257 N -0.65 0.69 -0.03 2.92 1.01 0.59 -1.13 120.40 123.81 2wby s VAL 257 Ca 0.10 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2wby s VAL 257 Cb -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.70 2wby s VAL 257 CO -0.00 0.21 -0.03 -0.69 0.00 0.00 0.00 175.10 174.58 2wby s VAL 258 N -0.05 0.41 -0.08 2.92 1.01 -0.75 -0.85 120.40 123.00 2wby s VAL 258 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2wby s VAL 258 Cb -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2wby s VAL 258 CO -0.00 0.18 -0.18 -0.22 0.00 0.00 0.00 175.10 174.88 2wby s LEU 259 N 0.69 1.85 0.17 3.92 0.20 0.48 -0.60 118.68 125.38 2wby s LEU 259 Ca -0.08 -0.42 -0.24 0.00 0.69 0.00 0.00 54.13 54.08 2wby s LEU 259 Cb -0.11 -1.10 0.06 0.00 -0.43 0.00 0.00 46.19 44.60 2wby s LEU 259 CO -0.00 0.09 0.79 -0.83 -0.29 0.00 0.00 176.35 176.10 2wby s GLY 260 N 0.55 -0.30 0.55 7.98 0.00 -0.46 -1.57 107.32 114.06 2wby s GLY 260 Ca -0.16 0.19 0.33 0.00 0.00 0.00 0.00 44.72 45.09 2wby s GLY 260 CO 0.06 0.06 2.01 3.21 0.00 0.00 0.00 173.10 178.43 2wby h ARG 261 N 2.00 0.00 -7.19 2.90 3.08 -1.87 -1.45 114.38 111.86 2wby h ARG 261 Ca -0.24 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.28 2wby h ARG 261 Cb 1.26 0.00 0.16 0.00 0.08 0.00 0.00 29.97 31.47 2wby h ARG 261 CO 0.28 0.04 0.37 -1.21 -1.07 0.00 0.00 179.97 178.38 2wby s GLU 262 N -3.75 2.02 0.91 0.04 8.01 -1.26 -4.24 118.70 120.45 2wby s GLU 262 Ca 0.00 1.73 -0.13 0.00 0.01 0.00 0.00 54.97 56.58 2wby s GLU 262 Cb 0.10 -1.82 0.04 0.00 -4.31 0.00 0.00 34.13 28.13 2wby s GLU 262 CO 0.55 -1.92 0.51 -1.13 0.01 0.00 0.00 175.26 173.28 2wby n SER 263 N -2.90 -1.67 -0.17 -0.19 3.41 -1.26 -4.65 113.62 106.19 2wby n SER 263 Ca 0.13 0.38 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 2wby n SER 263 Cb 0.50 -1.24 0.41 0.00 -0.26 0.00 0.00 64.21 63.62 2wby n SER 263 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wby h LEU 264 N -1.42 0.56 -0.42 1.04 3.38 -1.95 0.15 115.31 116.65 2wby h LEU 264 Ca -0.44 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2wby h LEU 264 Cb 1.29 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2wby h LEU 264 CO 0.36 0.33 0.04 0.44 0.09 0.00 0.00 178.44 179.70 2wby h ASP 265 N 0.62 0.70 -0.26 -0.43 3.32 -1.99 0.60 116.42 118.98 2wby h ASP 265 Ca 0.33 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2wby h ASP 265 Cb 0.48 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2wby h ASP 265 CO -0.12 0.81 -0.03 0.44 -1.72 0.00 0.00 179.24 178.63 2wby h ASP 266 N 0.56 0.47 -0.66 6.45 3.45 -1.75 -1.60 116.42 123.35 2wby h ASP 266 Ca 0.12 -0.33 0.08 0.00 0.43 0.00 0.00 57.03 57.33 2wby h ASP 266 Cb 0.43 -0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 39.01 2wby h ASP 266 CO 0.01 0.69 0.32 -0.07 -1.57 0.00 0.00 179.24 178.62 2wby h LEU 267 N 0.24 0.41 -0.23 1.55 3.38 -0.67 -0.38 115.31 119.60 2wby h LEU 267 Ca 0.07 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2wby h LEU 267 Cb 0.47 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2wby h LEU 267 CO 0.02 0.25 -0.16 0.74 0.09 0.00 0.00 178.44 179.38 2wby h THR 268 N 0.56 0.55 -0.36 0.22 2.02 -0.48 -0.88 112.91 114.53 2wby h THR 268 Ca 0.32 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.40 2wby h THR 268 Cb 0.31 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2wby h THR 268 CO -0.25 0.00 -0.16 0.78 0.37 0.00 0.00 175.52 176.26 2wby h ASN 269 N -0.15 0.66 -0.68 4.18 2.35 -0.72 -0.82 115.58 120.39 2wby h ASN 269 Ca 0.13 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2wby h ASN 269 Cb 0.35 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 2wby h ASN 269 CO -0.32 0.83 0.43 0.25 -1.65 0.00 0.00 177.43 176.97 2wby h LEU 270 N 0.60 0.71 0.08 1.61 6.46 -0.56 0.11 115.31 124.31 2wby h LEU 270 Ca 0.10 -0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.57 2wby h LEU 270 Cb 0.61 -0.15 0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2wby h LEU 270 CO 0.04 0.49 -1.22 0.58 -0.62 0.00 0.00 178.44 177.71 2wby h VAL 271 N 0.84 1.37 -0.12 1.05 2.07 -0.58 -1.86 116.25 119.04 2wby h VAL 271 Ca 0.27 -2.68 0.03 0.00 0.82 0.00 0.00 66.70 65.14 2wby h VAL 271 Cb 0.01 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2wby h VAL 271 CO -0.10 0.80 -0.05 0.58 0.02 0.00 0.00 177.57 178.82 2wby h VAL 272 N 0.19 0.84 -0.41 2.57 2.07 -1.08 0.84 116.25 121.27 2wby h VAL 272 Ca -0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2wby h VAL 272 Cb 1.91 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 2wby h VAL 272 CO 0.22 0.00 0.24 0.50 0.02 0.00 0.00 177.57 178.55 2wby h LYS 273 N -0.03 0.47 0.00 1.57 3.64 -0.60 -2.15 116.57 119.47 2wby h LYS 273 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wby h LYS 273 Cb 0.12 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2wby h LYS 273 CO -0.14 0.31 -0.84 1.28 -2.27 0.00 0.00 179.45 177.80 2wby n LEU 274 N -4.86 0.65 -0.00 5.20 4.77 -0.71 -4.42 117.00 117.62 2wby n LEU 274 Ca 0.01 0.09 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 2wby n LEU 274 Cb 0.06 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 2wby n LEU 274 CO 0.32 0.00 -0.25 0.49 -1.33 0.00 0.00 177.39 176.62 2wby n PHE 275 N -2.01 0.00 -0.30 -1.77 3.01 0.26 -4.53 117.46 112.12 2wby n PHE 275 Ca 0.03 0.00 0.29 0.00 1.01 0.00 0.00 57.45 58.77 2wby n PHE 275 Cb 0.43 -0.04 0.64 0.00 -0.01 0.00 0.00 39.48 40.51 2wby n PHE 275 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2wby h SER 276 N 0.00 0.20 0.50 4.37 0.02 -1.54 -1.52 113.55 115.58 2wby h SER 276 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2wby h SER 276 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2wby h SER 276 CO 0.00 0.04 -0.08 -1.84 -1.14 0.00 0.00 176.83 173.81 2wby n GLU 277 N -4.39 0.50 -1.91 3.45 0.28 -1.26 -4.77 120.64 112.54 2wby n GLU 277 Ca 0.24 -0.11 -0.41 0.00 -0.16 0.00 0.00 57.16 56.72 2wby n GLU 277 Cb 1.03 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.38 2wby n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wby s VAL 278 N -2.58 2.40 0.01 3.84 1.01 -0.57 -4.92 120.40 119.59 2wby s VAL 278 Ca 0.27 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 2wby s VAL 278 Cb 0.20 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 2wby s VAL 278 CO 0.48 0.05 0.60 -0.70 0.00 0.00 0.00 175.10 175.53 2wby s GLU 279 N -0.32 4.30 -0.37 2.72 2.12 -1.26 -4.68 118.70 121.20 2wby s GLU 279 Ca 0.62 0.74 -0.22 0.00 0.36 0.00 0.00 54.97 56.48 2wby s GLU 279 Cb -0.45 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.63 2wby s GLU 279 CO 0.44 0.42 0.71 1.21 -0.54 0.00 0.00 175.26 177.50 2wby s ASN 280 N -0.37 6.47 -0.04 -1.70 3.84 -1.26 -1.47 114.94 120.41 2wby s ASN 280 Ca 0.31 0.17 0.15 0.00 0.21 0.00 0.00 52.86 53.70 2wby s ASN 280 Cb -0.19 -2.36 0.45 0.00 -0.55 0.00 0.00 41.25 38.61 2wby s ASN 280 CO 0.18 -0.69 1.38 0.29 -2.79 0.00 0.00 177.10 175.47 2wby n LYS 281 N 6.26 2.98 -4.13 0.43 5.02 -1.26 -4.95 118.16 122.51 2wby n LYS 281 Ca 0.01 -2.38 -0.34 0.00 -2.02 0.00 0.00 58.31 53.58 2wby n LYS 281 Cb 0.48 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 2wby n LYS 281 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wby n ASN 282 N 0.66 -3.32 -4.69 4.39 3.02 -1.26 -4.91 115.26 109.14 2wby n ASN 282 Ca 0.17 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.34 2wby n ASN 282 Cb 0.59 -3.04 -0.03 0.00 -0.61 0.00 0.00 39.78 36.69 2wby n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wby s VAL 283 N -3.36 3.08 0.34 2.41 1.01 -1.26 -4.94 120.40 117.67 2wby s VAL 283 Ca 0.65 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 2wby s VAL 283 Cb -0.35 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 2wby s VAL 283 CO 0.90 0.00 1.35 -2.16 0.00 0.00 0.00 175.10 175.20 2wby s PRO 284 N 2.45 4.30 0.02 2.72 0.05 -1.26 -4.87 135.00 138.41 2wby s PRO 284 Ca 0.72 2.30 -0.30 0.00 0.05 0.00 0.00 61.00 63.77 2wby s PRO 284 Cb -0.39 -3.05 -0.07 0.00 0.05 0.00 0.00 34.50 31.04 2wby s PRO 284 CO 0.31 -0.28 1.64 -1.17 0.05 0.00 0.00 177.00 177.56 2wby s LEU 285 N -1.78 4.35 0.60 -3.56 0.20 -1.26 -4.98 118.68 112.25 2wby s LEU 285 Ca 0.50 2.37 -0.20 0.00 0.69 0.00 0.00 54.13 57.50 2wby s LEU 285 Cb -0.41 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 41.77 2wby s LEU 285 CO 0.55 -0.89 1.32 -2.84 -0.29 0.00 0.00 176.35 174.19 2wby s PRO 286 N 3.16 2.82 -0.04 0.98 0.02 -1.26 -5.02 135.00 135.66 2wby s PRO 286 Ca 0.73 2.12 -0.10 0.00 0.02 0.00 0.00 61.00 63.78 2wby s PRO 286 Cb -0.37 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.15 2wby s PRO 286 CO 0.31 -1.41 0.23 -1.21 -0.33 0.00 0.00 177.00 174.59 2wby s GLU 287 N -3.18 0.44 -0.50 5.54 2.02 -1.26 -4.86 118.70 116.90 2wby s GLU 287 Ca 0.78 -0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.82 2wby s GLU 287 Cb -0.38 0.20 0.28 0.00 0.10 0.00 0.00 34.13 34.32 2wby s GLU 287 CO 0.43 -0.10 0.69 1.19 0.02 0.00 0.00 175.26 177.49 2wby n PHE 288 N 2.06 1.73 0.27 1.61 3.72 0.75 -4.94 117.46 122.67 2wby n PHE 288 Ca -0.18 -3.87 0.13 0.00 -0.05 0.00 0.00 57.45 53.49 2wby n PHE 288 Cb 0.57 -0.45 0.78 0.00 -0.94 0.00 0.00 39.48 39.43 2wby n PHE 288 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wby h PRO 289 N 3.80 0.00 -5.93 -1.08 0.13 -1.82 -3.35 132.00 123.74 2wby h PRO 289 Ca 0.13 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.68 2wby h PRO 289 Cb 0.76 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.82 2wby h PRO 289 CO 0.65 0.09 0.46 -1.21 -0.23 0.00 0.00 178.00 177.76 2wby s GLU 290 N -4.28 4.27 0.20 0.86 2.02 -1.26 -4.82 118.70 115.69 2wby s GLU 290 Ca -0.03 1.05 -0.31 0.00 0.02 0.00 0.00 54.97 55.69 2wby s GLU 290 Cb 0.13 -3.60 -0.10 0.00 0.10 0.00 0.00 34.13 30.66 2wby s GLU 290 CO 0.57 -0.41 1.57 -1.58 0.02 0.00 0.00 175.26 175.43 2wby s HIS 291 N 2.43 3.00 -0.42 1.61 5.65 -1.26 -4.88 115.29 121.40 2wby s HIS 291 Ca 0.38 0.68 0.20 0.00 0.25 0.00 0.00 55.06 56.58 2wby s HIS 291 Cb -0.16 -3.95 0.96 0.00 -1.18 0.00 0.00 32.58 28.25 2wby s HIS 291 CO 0.11 -3.42 1.61 -0.35 -0.65 0.00 0.00 174.74 172.04 2wby n PRO 292 N 3.44 0.14 -3.48 2.88 -0.04 -1.26 -4.13 135.00 132.55 2wby n PRO 292 Ca 0.12 0.52 -0.43 0.00 -0.04 0.00 0.00 63.50 63.68 2wby n PRO 292 Cb 0.38 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 2wby n PRO 292 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wby s PHE 293 N -3.38 3.24 0.00 0.54 0.08 -1.26 0.29 117.98 117.49 2wby s PHE 293 Ca 0.01 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.49 2wby s PHE 293 Cb 0.07 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 2wby s PHE 293 CO 0.26 -0.57 0.00 1.04 -0.10 0.00 0.00 175.22 175.85 2wby n GLN 294 N 5.14 1.60 -0.23 0.44 1.13 -1.26 -4.95 117.38 119.25 2wby n GLN 294 Ca -0.11 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.89 2wby n GLN 294 Cb 0.47 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.87 2wby n GLN 294 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2wby h GLU 295 N 0.00 0.84 0.00 -1.09 5.08 -1.97 -0.58 114.58 116.86 2wby h GLU 295 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2wby h GLU 295 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2wby h GLU 295 CO 0.00 0.55 0.01 -0.85 -1.00 0.00 0.00 179.01 177.73 2wby n GLU 296 N -4.64 0.08 0.00 2.33 0.00 -1.26 -1.11 120.64 116.04 2wby n GLU 296 Ca 0.05 0.58 0.10 0.00 0.00 0.00 0.00 57.16 57.89 2wby n GLU 296 Cb 0.02 -1.78 0.07 0.00 0.00 0.00 0.00 31.44 29.75 2wby n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2wby n HIS 297 N -1.95 0.00 -3.46 -1.84 8.25 -0.24 -4.95 115.22 111.04 2wby n HIS 297 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 2wby n HIS 297 Cb 0.03 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 2wby n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wby s LEU 298 N -1.77 4.00 -1.51 2.41 1.43 -0.27 -4.37 118.68 118.60 2wby s LEU 298 Ca 0.22 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 2wby s LEU 298 Cb 0.17 -3.04 0.07 0.00 0.03 0.00 0.00 46.19 43.42 2wby s LEU 298 CO 0.29 -0.36 0.91 0.29 0.23 0.00 0.00 176.35 177.70 2wby n LYS 299 N -1.73 -5.20 -4.27 1.70 5.02 0.63 -4.95 118.16 109.37 2wby n LYS 299 Ca -0.03 0.58 -0.31 0.00 -2.02 0.00 0.00 58.31 56.53 2wby n LYS 299 Cb 0.57 -5.38 -0.09 0.00 -0.02 0.00 0.00 35.03 30.11 2wby n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wby s GLN 300 N -6.54 2.43 -0.03 1.97 -1.52 -1.22 -1.06 119.66 113.69 2wby s GLN 300 Ca 0.54 -0.85 0.07 0.00 -1.95 0.00 0.00 55.36 53.17 2wby s GLN 300 Cb -0.27 -2.46 -0.01 0.00 -0.22 0.00 0.00 33.01 30.04 2wby s GLN 300 CO 0.84 0.55 -0.24 -1.17 -0.25 0.00 0.00 175.29 175.02 2wby s LEU 301 N -1.97 2.04 -0.05 2.90 2.96 0.34 -1.49 118.68 123.41 2wby s LEU 301 Ca 0.22 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2wby s LEU 301 Cb -0.11 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 2wby s LEU 301 CO 0.13 0.27 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.95 2wby s TYR 302 N -0.40 1.81 -0.21 5.38 1.51 -0.17 -1.80 117.35 123.47 2wby s TYR 302 Ca 0.04 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 2wby s TYR 302 Cb -0.11 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 2wby s TYR 302 CO 0.01 -0.20 -0.11 0.15 -1.11 0.00 0.00 175.55 174.28 2wby s LYS 303 N 0.11 3.11 -0.05 -0.62 1.02 -0.19 -0.87 119.74 122.25 2wby s LYS 303 Ca -0.06 -0.78 0.06 0.00 0.02 0.00 0.00 55.97 55.21 2wby s LYS 303 Cb -0.13 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.36 2wby s LYS 303 CO 0.03 -0.24 -0.24 0.42 -0.92 0.00 0.00 175.35 174.40 2wby s ILE 304 N 1.37 1.97 -0.29 2.17 -1.09 -0.03 -1.39 121.20 123.91 2wby s ILE 304 Ca 0.04 -1.02 -0.22 0.00 -2.23 0.00 0.00 60.65 57.23 2wby s ILE 304 Cb -0.14 -1.67 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 2wby s ILE 304 CO -0.08 0.55 0.71 -0.69 -1.23 0.00 0.00 174.94 174.20 2wby s VAL 305 N -0.14 4.88 0.72 2.92 1.01 -0.56 -1.41 120.40 127.80 2wby s VAL 305 Ca -0.03 1.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.94 2wby s VAL 305 Cb -0.13 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.23 2wby s VAL 305 CO 0.03 -0.16 1.07 -2.16 0.00 0.00 0.00 175.10 173.89 2wby s PRO 306 N 2.76 2.43 -0.15 2.72 0.04 -1.26 -4.51 135.00 137.02 2wby s PRO 306 Ca 0.29 0.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.23 2wby s PRO 306 Cb -0.15 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 2wby s PRO 306 CO 0.11 -1.20 0.36 0.82 0.04 0.00 0.00 177.00 177.14 2wby h ILE 307 N -0.68 1.02 -4.29 0.56 1.08 -1.96 -3.47 117.51 109.77 2wby h ILE 307 Ca -0.45 -1.90 -0.50 0.00 -0.39 0.00 0.00 64.86 61.62 2wby h ILE 307 Cb 1.29 2.06 0.11 0.00 -3.07 0.00 0.00 36.82 37.22 2wby h ILE 307 CO 0.63 0.34 0.34 -0.54 -0.69 0.00 0.00 178.15 178.23 2wby s LYS 308 N -2.14 2.28 -1.05 2.37 1.02 -1.26 -4.95 119.74 116.00 2wby s LYS 308 Ca -0.18 0.76 -0.21 0.00 0.02 0.00 0.00 55.97 56.36 2wby s LYS 308 Cb 0.01 -1.93 0.08 0.00 -0.52 0.00 0.00 37.83 35.47 2wby s LYS 308 CO 0.48 -1.52 1.41 0.34 -0.92 0.00 0.00 175.35 175.15 2wby s ASP 309 N -3.82 6.62 0.18 2.83 2.15 -1.26 -4.86 116.67 118.51 2wby s ASP 309 Ca 0.60 -1.85 0.09 0.00 0.43 0.00 0.00 52.55 51.82 2wby s ASP 309 Cb -0.15 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 2wby s ASP 309 CO 0.55 -1.30 -0.18 0.27 -0.17 0.00 0.00 175.17 174.33 2wby s ILE 310 N 4.08 1.91 -0.23 4.11 -4.36 -1.26 -4.88 121.20 120.57 2wby s ILE 310 Ca 0.44 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 58.79 2wby s ILE 310 Cb -0.01 -1.94 0.07 0.00 1.25 0.00 0.00 42.46 41.84 2wby s ILE 310 CO -0.07 -0.34 0.07 -0.13 0.24 0.00 0.00 174.94 174.71 2wby s ARG 311 N -2.96 0.56 0.05 0.37 0.52 -1.25 -4.09 118.95 112.14 2wby s ARG 311 Ca 0.18 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 2wby s ARG 311 Cb -0.05 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 2wby s ARG 311 CO 0.08 -0.77 -0.06 -0.80 0.02 0.00 0.00 175.30 173.77 2wby s ASN 312 N 1.86 0.73 -0.13 0.23 0.01 -0.78 -0.26 114.94 116.60 2wby s ASN 312 Ca 0.03 -0.71 0.02 0.00 -0.71 0.00 0.00 52.86 51.49 2wby s ASN 312 Cb -0.17 0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.59 2wby s ASN 312 CO -0.16 -0.34 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.69 2wby s LEU 313 N -2.08 1.90 -0.25 0.60 2.96 -0.03 -0.36 118.68 121.41 2wby s LEU 313 Ca -0.04 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 2wby s LEU 313 Cb -0.04 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.37 2wby s LEU 313 CO -0.03 0.03 0.02 -0.31 -1.32 0.00 0.00 176.35 174.75 2wby s TYR 314 N 1.02 3.06 -0.16 5.38 2.02 0.07 -1.18 117.35 127.56 2wby s TYR 314 Ca -0.04 -0.87 0.00 0.00 -0.37 0.00 0.00 57.07 55.79 2wby s TYR 314 Cb -0.15 -2.18 -0.00 0.00 -0.40 0.00 0.00 41.96 39.23 2wby s TYR 314 CO -0.04 -0.53 -0.15 0.08 -1.57 0.00 0.00 175.55 173.34 2wby s VAL 315 N 1.51 2.65 0.00 0.71 1.01 -0.64 -0.69 120.40 124.94 2wby s VAL 315 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2wby s VAL 315 Cb -0.16 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2wby s VAL 315 CO 0.00 0.51 -0.07 0.28 0.00 0.00 0.00 175.10 175.83 2wby s THR 316 N 0.84 0.54 -0.06 3.92 -1.32 -0.23 -0.86 115.64 118.47 2wby s THR 316 Ca -0.05 -0.38 0.04 0.00 -1.21 0.00 0.00 61.69 60.08 2wby s THR 316 Cb -0.15 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 2wby s THR 316 CO -0.01 0.09 -0.17 -0.36 -2.21 0.00 0.00 174.62 171.96 2wby s PHE 317 N -0.30 1.81 0.24 9.09 0.40 -0.26 -1.00 117.98 127.96 2wby s PHE 317 Ca 0.01 -0.62 -0.30 0.00 -0.60 0.00 0.00 56.93 55.42 2wby s PHE 317 Cb -0.03 -1.25 -0.09 0.00 0.51 0.00 0.00 43.02 42.16 2wby s PHE 317 CO -0.00 -0.26 1.31 -2.14 0.70 0.00 0.00 175.22 174.83 2wby s PRO 318 N 0.31 4.39 0.23 0.24 0.02 -1.26 -0.66 135.00 138.26 2wby s PRO 318 Ca -0.11 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.04 2wby s PRO 318 Cb -0.14 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 2wby s PRO 318 CO 0.04 -0.22 0.02 0.96 -0.33 0.00 0.00 177.00 177.47 2wby s ILE 319 N -0.27 0.84 0.88 2.83 -4.36 -0.58 -4.86 121.20 115.69 2wby s ILE 319 Ca 0.54 -2.01 -0.11 0.00 -0.26 0.00 0.00 60.65 58.81 2wby s ILE 319 Cb -0.37 -2.37 0.12 0.00 1.25 0.00 0.00 42.46 41.08 2wby s ILE 319 CO 0.42 -0.28 1.09 -2.16 0.24 0.00 0.00 174.94 174.26 2wby s PRO 320 N -3.92 1.35 -0.23 0.37 0.04 -1.26 -1.86 135.00 129.49 2wby s PRO 320 Ca 0.30 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.92 2wby s PRO 320 Cb 0.06 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 2wby s PRO 320 CO 0.09 -2.19 1.72 0.34 0.04 0.00 0.00 177.00 177.00 2wby s ASP 321 N -3.40 6.20 0.00 6.66 3.68 -1.26 -4.15 116.67 124.40 2wby s ASP 321 Ca 0.63 1.62 0.27 0.00 2.13 0.00 0.00 52.55 57.20 2wby s ASP 321 Cb -0.18 -2.53 0.80 0.00 -1.45 0.00 0.00 42.92 39.56 2wby s ASP 321 CO 0.57 -1.40 1.59 0.18 0.13 0.00 0.00 175.17 176.24 2wby n LEU 322 N 9.06 1.26 -0.27 -1.34 4.77 -1.26 -4.46 117.00 124.76 2wby n LEU 322 Ca 0.21 -0.37 0.09 0.00 -0.03 0.00 0.00 56.01 55.90 2wby n LEU 322 Cb 0.45 -0.08 0.23 0.00 -2.33 0.00 0.00 43.42 41.69 2wby n LEU 322 CO 0.66 0.22 0.93 -0.61 -1.33 0.00 0.00 177.39 177.26 2wby h GLN 323 N 1.69 0.23 0.00 3.23 5.75 -1.99 0.37 115.11 124.38 2wby h GLN 323 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2wby h GLN 323 Cb 0.53 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.03 2wby h GLN 323 CO 0.00 0.15 0.00 1.57 -2.65 0.00 0.00 178.83 177.90 2wby h LYS 324 N 0.24 0.00 -0.95 1.69 2.10 -1.98 -2.30 116.57 115.37 2wby h LYS 324 Ca 0.48 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.94 2wby h LYS 324 Cb 0.89 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.10 2wby h LYS 324 CO -0.59 0.00 0.24 0.66 -2.00 0.00 0.00 179.45 177.76 2wby n TYR 325 N -2.87 1.40 0.32 0.07 4.01 0.13 -4.59 117.16 115.62 2wby n TYR 325 Ca -0.02 -0.96 0.20 0.00 -0.16 0.00 0.00 57.90 56.95 2wby n TYR 325 Cb 0.07 -0.52 1.07 0.00 -0.31 0.00 0.00 39.34 39.64 2wby n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2wby h TYR 326 N 0.86 0.00 0.00 -0.72 -0.00 -1.55 0.35 116.97 115.91 2wby h TYR 326 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.97 2wby h TYR 326 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.48 2wby h TYR 326 CO 0.73 0.00 0.00 0.87 -0.00 0.00 0.00 178.16 179.76 2wby h LYS 327 N 0.00 0.00 0.00 0.10 1.57 -1.89 -3.34 116.57 113.01 2wby h LYS 327 Ca 0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 2wby h LYS 327 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2wby h LYS 327 CO -0.00 0.00 -1.67 -1.13 -0.57 0.00 0.00 179.45 176.08 2wby n SER 328 N -2.65 3.08 -3.41 0.86 3.41 -0.13 -0.18 113.62 114.59 2wby n SER 328 Ca 0.04 -0.06 -0.21 0.00 -0.26 0.00 0.00 58.87 58.38 2wby n SER 328 Cb 0.42 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.25 2wby n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wby n ASN 329 N -2.85 -5.91 -0.19 4.04 4.05 0.10 -4.86 115.26 109.64 2wby n ASN 329 Ca -0.21 -0.81 0.07 0.00 0.45 0.00 0.00 54.58 54.08 2wby n ASN 329 Cb 0.72 -4.56 0.35 0.00 1.23 0.00 0.00 39.78 37.52 2wby n ASN 329 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2wby h PRO 330 N -1.40 0.73 0.00 1.20 0.13 -1.93 -0.36 132.00 130.37 2wby h PRO 330 Ca -0.63 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.41 2wby h PRO 330 Cb 1.33 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2wby h PRO 330 CO 0.46 0.48 -0.23 0.78 -0.23 0.00 0.00 178.00 179.27 2wby h GLY 331 N 0.75 0.00 1.33 1.56 0.00 -1.93 -1.73 103.07 103.05 2wby h GLY 331 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.36 2wby h GLY 331 CO -0.11 0.00 -1.28 0.84 0.00 0.00 0.00 176.54 175.99 2wby h HIS 332 N 0.00 0.90 -0.29 5.60 -0.00 -1.44 -2.02 115.15 117.90 2wby h HIS 332 Ca -0.00 -0.60 0.04 0.00 -0.00 0.00 0.00 60.37 59.82 2wby h HIS 332 Cb 0.45 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 2wby h HIS 332 CO 0.00 1.44 0.05 -0.92 -0.00 0.00 0.00 177.93 178.50 2wby h TYR 333 N 0.22 0.07 -0.09 5.26 3.20 -1.17 0.22 116.97 124.68 2wby h TYR 333 Ca -0.19 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.60 2wby h TYR 333 Cb 1.96 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.23 2wby h TYR 333 CO 0.11 0.01 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.16 2wby h LEU 334 N 0.15 0.21 -0.31 2.82 3.38 -1.27 -2.46 115.31 117.82 2wby h LEU 334 Ca 0.14 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2wby h LEU 334 Cb 0.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wby h LEU 334 CO -0.19 0.60 -0.02 1.23 0.09 0.00 0.00 178.44 180.14 2wby h GLY 335 N 1.21 0.62 0.64 0.83 0.00 -0.62 0.85 103.07 106.60 2wby h GLY 335 Ca 0.02 -0.47 0.07 0.00 0.00 0.00 0.00 47.33 46.95 2wby h GLY 335 CO 0.06 0.44 0.48 0.84 0.00 0.00 0.00 176.54 178.35 2wby h HIS 336 N 0.36 0.88 0.02 5.60 -0.00 -0.35 0.52 115.15 122.18 2wby h HIS 336 Ca 0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 2wby h HIS 336 Cb 0.48 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2wby h HIS 336 CO 0.04 0.41 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.30 2wby h LEU 337 N 0.85 -0.02 -1.18 0.26 4.07 -0.95 -2.34 115.31 116.00 2wby h LEU 337 Ca 0.37 -0.63 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 2wby h LEU 337 Cb 0.25 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 2wby h LEU 337 CO -0.20 0.78 -0.34 0.40 -1.08 0.00 0.00 178.44 177.99 2wby h ILE 338 N -0.97 1.27 -0.02 1.22 2.04 0.84 -2.42 117.51 119.47 2wby h ILE 338 Ca -0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2wby h ILE 338 Cb 0.65 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2wby h ILE 338 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 178.15 179.14 2wby n GLY 339 N -0.45 -0.29 3.65 5.37 0.00 0.18 -4.69 105.19 108.96 2wby n GLY 339 Ca -0.02 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 2wby n GLY 339 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wby n HIS 340 N -0.17 1.03 -0.27 1.61 -0.00 -0.88 -4.85 115.22 111.69 2wby n HIS 340 Ca 0.20 0.41 0.02 0.00 0.46 0.00 0.00 57.72 58.81 2wby n HIS 340 Cb 0.28 -2.14 0.02 0.00 -0.12 0.00 0.00 29.99 28.03 2wby n HIS 340 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wby n GLU 341 N -1.76 2.45 -2.04 1.57 1.02 -1.26 -4.18 120.64 116.43 2wby n GLU 341 Ca 0.14 -1.58 -0.29 0.00 -0.02 0.00 0.00 57.16 55.42 2wby n GLU 341 Cb 0.49 -1.03 0.17 0.00 -0.02 0.00 0.00 31.44 31.05 2wby n GLU 341 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wby s GLY 342 N -1.21 1.77 0.24 0.62 0.00 -1.26 -4.19 107.32 103.29 2wby s GLY 342 Ca 0.05 -1.27 -0.31 0.00 0.00 0.00 0.00 44.72 43.19 2wby s GLY 342 CO 0.00 -0.55 1.30 -1.05 0.00 0.00 0.00 173.10 172.81 2wby n PRO 343 N -3.59 1.77 0.00 2.90 -0.02 -1.26 -1.31 135.00 133.49 2wby n PRO 343 Ca 0.15 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2wby n PRO 343 Cb 0.60 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2wby n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wby n GLY 344 N 1.93 0.61 3.88 -1.23 0.00 -1.26 -4.69 105.19 104.43 2wby n GLY 344 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2wby n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wby s SER 345 N -2.00 6.07 0.14 1.61 1.04 -0.43 -1.94 113.70 118.20 2wby s SER 345 Ca 0.00 1.24 -0.31 0.00 0.48 0.00 0.00 55.95 57.37 2wby s SER 345 Cb 0.00 -2.30 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 2wby s SER 345 CO 0.00 -0.90 1.56 0.25 0.98 0.00 0.00 173.24 175.12 2wby h LEU 346 N -0.27 -1.72 -0.98 2.42 5.85 -1.84 -2.16 115.31 116.61 2wby h LEU 346 Ca -0.45 0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.58 2wby h LEU 346 Cb 1.21 0.73 -0.07 0.00 0.37 0.00 0.00 40.66 42.90 2wby h LEU 346 CO 0.62 -0.39 0.63 0.25 -0.34 0.00 0.00 178.44 179.22 2wby h LEU 347 N -0.36 1.02 -0.63 2.25 6.46 -1.86 -2.09 115.31 120.11 2wby h LEU 347 Ca 0.10 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2wby h LEU 347 Cb 0.59 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 2wby h LEU 347 CO -0.61 0.65 0.29 -1.28 -0.62 0.00 0.00 178.44 176.87 2wby h SER 348 N 1.16 0.83 -0.41 1.25 0.87 -1.67 0.48 113.55 116.06 2wby h SER 348 Ca 0.42 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 2wby h SER 348 Cb 0.15 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2wby h SER 348 CO -0.17 0.74 0.20 -0.08 -0.53 0.00 0.00 176.83 176.99 2wby h GLU 349 N 0.87 0.60 0.00 2.24 4.57 -1.16 -1.58 114.58 120.11 2wby h GLU 349 Ca 0.21 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2wby h GLU 349 Cb 0.14 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2wby h GLU 349 CO -0.02 0.52 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.23 2wby h LEU 350 N 0.53 0.00 0.06 1.64 3.38 -0.71 -1.42 115.31 118.79 2wby h LEU 350 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 2wby h LEU 350 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2wby h LEU 350 CO -0.02 0.03 -1.11 0.50 0.09 0.00 0.00 178.44 177.94 2wby h LYS 351 N 0.00 0.13 -0.89 1.13 3.64 -0.77 -0.16 116.57 119.65 2wby h LYS 351 Ca -0.00 -0.23 0.21 0.00 -1.27 0.00 0.00 60.65 59.36 2wby h LYS 351 Cb 0.07 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 31.85 2wby h LYS 351 CO 0.00 1.11 0.38 0.77 -2.27 0.00 0.00 179.45 179.45 2wby h SER 352 N -0.62 0.32 0.37 4.20 0.02 -1.05 0.31 113.55 117.10 2wby h SER 352 Ca -0.26 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2wby h SER 352 Cb 1.50 0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2wby h SER 352 CO -0.02 0.00 0.00 1.17 -1.14 0.00 0.00 176.83 176.84 2wby n LYS 353 N -5.04 0.10 -1.54 3.45 3.00 -0.56 -4.86 118.16 112.71 2wby n LYS 353 Ca 0.22 0.21 -0.07 0.00 -0.00 0.00 0.00 58.31 58.67 2wby n LYS 353 Cb 0.64 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.15 2wby n LYS 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wby n GLY 354 N -0.10 0.62 0.11 3.14 0.00 0.10 -4.96 105.19 104.11 2wby n GLY 354 Ca 0.05 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 2wby n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wby n TRP 355 N -3.23 0.18 -4.02 1.61 8.01 -0.11 -4.24 117.44 115.65 2wby n TRP 355 Ca -0.08 0.05 -0.12 0.00 -1.31 0.00 0.00 57.50 56.05 2wby n TRP 355 Cb 0.35 -1.03 -0.12 0.00 -2.01 0.00 0.00 31.31 28.50 2wby n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2wby s VAL 356 N -2.52 0.29 -0.18 -0.99 -7.23 -0.97 -1.27 120.40 107.53 2wby s VAL 356 Ca -0.19 -0.72 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 2wby s VAL 356 Cb 0.07 -0.36 -0.22 0.00 0.56 0.00 0.00 36.38 36.44 2wby s VAL 356 CO 0.74 -0.29 0.10 0.59 -0.31 0.00 0.00 175.10 175.94 2wby n ASN 357 N 1.99 1.43 -4.14 4.85 3.02 -1.26 -3.86 115.26 117.29 2wby n ASN 357 Ca -0.20 0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 2wby n ASN 357 Cb 0.56 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.46 2wby n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wby s THR 358 N -2.53 0.66 -0.07 3.41 -4.23 -1.26 -5.02 115.64 106.59 2wby s THR 358 Ca -0.22 -1.65 -0.05 0.00 -1.18 0.00 0.00 61.69 58.58 2wby s THR 358 Cb 0.08 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.61 2wby s THR 358 CO 0.72 -0.70 0.18 -0.22 -0.54 0.00 0.00 174.62 174.06 2wby s LEU 359 N -2.55 1.04 0.00 4.79 0.20 -1.26 -2.41 118.68 118.50 2wby s LEU 359 Ca 0.05 0.37 0.07 0.00 0.69 0.00 0.00 54.13 55.31 2wby s LEU 359 Cb -0.00 0.57 -0.02 0.00 -0.43 0.00 0.00 46.19 46.31 2wby s LEU 359 CO -0.03 -0.10 -0.22 0.68 -0.29 0.00 0.00 176.35 176.39 2wby s VAL 360 N 0.53 1.74 0.05 1.68 -7.23 -0.24 -4.97 120.40 111.96 2wby s VAL 360 Ca -0.04 -1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2wby s VAL 360 Cb -0.05 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2wby s VAL 360 CO -0.03 0.41 -0.03 -0.83 -0.31 0.00 0.00 175.10 174.31 2wby s GLY 361 N -0.72 0.47 0.00 2.32 0.00 -1.26 -1.00 107.32 107.13 2wby s GLY 361 Ca 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.63 2wby s GLY 361 CO -0.00 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.43 2wby n GLY 362 N 0.22 0.96 3.85 0.20 0.00 -0.63 -4.66 105.19 105.12 2wby n GLY 362 Ca -0.15 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2wby n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wby s GLN 363 N -1.91 3.85 0.01 1.61 -2.07 -1.26 -0.27 119.66 119.63 2wby s GLN 363 Ca 0.00 0.32 0.05 0.00 -1.82 0.00 0.00 55.36 53.92 2wby s GLN 363 Cb 0.00 -3.12 -0.02 0.00 -1.09 0.00 0.00 33.01 28.78 2wby s GLN 363 CO 0.00 0.63 -0.16 0.21 -1.32 0.00 0.00 175.29 174.65 2wby s LYS 364 N -1.44 1.21 0.49 9.60 2.20 0.60 -4.93 119.74 127.47 2wby s LYS 364 Ca 0.28 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 54.99 2wby s LYS 364 Cb -0.15 -1.22 -0.08 0.00 -1.51 0.00 0.00 37.83 34.86 2wby s LYS 364 CO 0.15 0.32 1.02 -1.21 -0.36 0.00 0.00 175.35 175.28 2wby s GLU 365 N -0.75 3.82 0.00 4.03 2.02 -1.26 -1.63 118.70 124.94 2wby s GLU 365 Ca 0.05 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2wby s GLU 365 Cb -0.07 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.06 2wby s GLU 365 CO 0.00 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2wby n GLY 366 N -0.45 0.99 0.26 -1.39 0.00 -1.09 -4.76 105.19 98.76 2wby n GLY 366 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 2wby n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wby n ALA 367 N -3.00 -0.03 -1.60 4.61 0.00 -0.87 -5.00 120.51 114.62 2wby n ALA 367 Ca 0.00 -0.13 -0.45 0.00 0.00 0.00 0.00 53.44 52.87 2wby n ALA 367 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 2wby n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wby n ARG 368 N -0.05 2.07 0.00 0.00 1.74 -1.26 -1.66 116.66 117.50 2wby n ARG 368 Ca 0.00 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2wby n ARG 368 Cb 0.05 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 2wby n ARG 368 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wby n GLY 369 N 5.43 1.63 3.31 -0.13 0.00 -1.26 -0.17 105.19 114.00 2wby n GLY 369 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 2wby n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wby s PHE 370 N -1.71 -0.31 0.30 1.61 -0.12 -0.66 -4.04 117.98 113.04 2wby s PHE 370 Ca 0.00 0.54 -0.00 0.00 -0.05 0.00 0.00 56.93 57.41 2wby s PHE 370 Cb 0.00 0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.57 2wby s PHE 370 CO 0.00 -0.43 0.39 -1.33 -0.05 0.00 0.00 175.22 173.80 2wby n MET 371 N 1.31 0.56 -3.93 1.99 2.81 -0.78 -2.04 117.12 117.04 2wby n MET 371 Ca -0.20 -2.45 -0.10 0.00 -1.81 0.00 0.00 57.70 53.14 2wby n MET 371 Cb 0.56 2.29 -0.10 0.00 -0.71 0.00 0.00 33.22 35.27 2wby n MET 371 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2wby s PHE 372 N -3.21 0.18 -0.12 2.03 0.40 -0.64 -1.53 117.98 115.09 2wby s PHE 372 Ca 0.26 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 2wby s PHE 372 Cb -0.00 -0.13 -0.01 0.00 0.51 0.00 0.00 43.02 43.38 2wby s PHE 372 CO 0.19 -0.28 -0.17 0.12 0.70 0.00 0.00 175.22 175.77 2wby s PHE 373 N -1.87 2.71 0.20 0.36 2.19 0.17 -0.29 117.98 121.45 2wby s PHE 373 Ca -0.11 -0.79 0.09 0.00 0.33 0.00 0.00 56.93 56.44 2wby s PHE 373 Cb -0.06 -1.79 -0.05 0.00 -1.31 0.00 0.00 43.02 39.82 2wby s PHE 373 CO -0.01 -0.28 -0.17 0.96 1.83 0.00 0.00 175.22 177.55 2wby s ILE 374 N 0.33 1.86 -0.16 3.12 -4.36 0.63 -1.10 121.20 121.52 2wby s ILE 374 Ca -0.14 -2.12 -0.04 0.00 -0.26 0.00 0.00 60.65 58.09 2wby s ILE 374 Cb -0.17 -2.00 0.08 0.00 1.25 0.00 0.00 42.46 41.62 2wby s ILE 374 CO 0.07 -0.46 0.22 -0.63 0.24 0.00 0.00 174.94 174.38 2wby s ILE 375 N -2.56 -0.34 -0.00 8.37 1.01 -0.04 -1.60 121.20 126.04 2wby s ILE 375 Ca 0.21 0.08 0.06 0.00 0.00 0.00 0.00 60.65 61.00 2wby s ILE 375 Cb -0.03 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 2wby s ILE 375 CO 0.08 -0.05 -0.19 0.20 0.00 0.00 0.00 174.94 174.97 2wby s ASN 376 N 2.35 2.28 0.03 3.58 0.01 -0.17 -1.62 114.94 121.40 2wby s ASN 376 Ca 0.05 -0.39 -0.00 0.00 -0.71 0.00 0.00 52.86 51.81 2wby s ASN 376 Cb -0.14 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.25 2wby s ASN 376 CO -0.10 0.21 -0.03 0.68 -1.51 0.00 0.00 177.10 176.35 2wby s VAL 377 N -0.53 0.19 0.56 1.60 -7.23 -0.33 -1.08 120.40 113.58 2wby s VAL 377 Ca 0.07 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 58.92 2wby s VAL 377 Cb -0.08 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.08 2wby s VAL 377 CO -0.00 -0.69 0.84 1.51 -0.31 0.00 0.00 175.10 176.45 2wby s ASP 378 N -2.05 5.60 -0.08 4.85 3.84 -1.01 -0.85 116.67 126.96 2wby s ASP 378 Ca -0.06 0.56 0.03 0.00 -0.00 0.00 0.00 52.55 53.08 2wby s ASP 378 Cb -0.03 -1.60 0.01 0.00 -1.38 0.00 0.00 42.92 39.92 2wby s ASP 378 CO -0.04 -1.01 -0.16 -0.76 -0.00 0.00 0.00 175.17 173.20 2wby s LEU 379 N -4.89 1.78 0.98 2.11 1.43 0.64 -4.12 118.68 116.63 2wby s LEU 379 Ca 0.53 -0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 2wby s LEU 379 Cb -0.10 -1.01 0.18 0.00 0.03 0.00 0.00 46.19 45.28 2wby s LEU 379 CO 0.43 0.07 1.12 0.42 0.23 0.00 0.00 176.35 178.62 2wby s THR 380 N 0.58 1.98 0.23 5.49 -4.23 -0.40 -4.68 115.64 114.60 2wby s THR 380 Ca -0.16 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.29 2wby s THR 380 Cb -0.16 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.25 2wby s THR 380 CO 0.05 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 175.61 2wby h GLU 381 N -1.79 0.72 -0.35 3.99 5.08 -1.89 0.44 114.58 120.78 2wby h GLU 381 Ca -0.52 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 2wby h GLU 381 Cb 1.33 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2wby h GLU 381 CO 0.58 0.48 0.06 1.49 -1.00 0.00 0.00 179.01 180.61 2wby h GLU 382 N 0.75 0.58 -0.80 2.33 4.57 -1.91 -2.00 114.58 118.10 2wby h GLU 382 Ca 0.35 -0.16 0.17 0.00 -1.18 0.00 0.00 59.36 58.54 2wby h GLU 382 Cb 0.27 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 2wby h GLU 382 CO -0.21 0.66 0.54 0.78 -1.18 0.00 0.00 179.01 179.59 2wby h GLY 383 N 0.42 0.75 2.00 1.92 0.00 -1.42 0.02 103.07 106.76 2wby h GLY 383 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2wby h GLY 383 CO 0.01 0.04 -0.23 -2.00 0.00 0.00 0.00 176.54 174.35 2wby h LEU 384 N 0.41 0.00 -1.05 3.11 5.85 -0.16 -1.29 115.31 122.18 2wby h LEU 384 Ca 0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.12 2wby h LEU 384 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2wby h LEU 384 CO -0.14 0.23 0.00 0.18 -0.34 0.00 0.00 178.44 178.38 2wby n LEU 385 N -4.18 1.62 -0.71 2.25 4.77 -0.03 -4.18 117.00 116.54 2wby n LEU 385 Ca -0.02 -0.55 0.06 0.00 -0.03 0.00 0.00 56.01 55.47 2wby n LEU 385 Cb 0.29 -0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.53 2wby n LEU 385 CO 0.36 0.28 0.32 1.41 -1.33 0.00 0.00 177.39 178.43 2wby n HIS 386 N 0.27 0.00 -0.21 -1.77 8.25 -0.49 -4.80 115.22 116.47 2wby n HIS 386 Ca 0.18 -1.19 0.01 0.00 -0.26 0.00 0.00 57.72 56.46 2wby n HIS 386 Cb 0.37 -0.21 0.12 0.00 1.12 0.00 0.00 29.99 31.39 2wby n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2wby h VAL 387 N 2.27 0.72 -0.97 1.59 2.07 -1.71 0.39 116.25 120.61 2wby h VAL 387 Ca -0.04 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.43 2wby h VAL 387 Cb 1.19 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2wby h VAL 387 CO 0.02 0.07 0.62 -0.08 0.02 0.00 0.00 177.57 178.21 2wby h GLU 388 N 0.36 1.06 -0.04 1.57 4.81 -1.92 -0.85 114.58 119.57 2wby h GLU 388 Ca 0.32 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.26 2wby h GLU 388 Cb 0.43 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.58 2wby h GLU 388 CO -0.34 0.70 -0.89 -0.44 -0.73 0.00 0.00 179.01 177.30 2wby h ASP 389 N 1.09 0.64 -0.62 1.04 3.32 -1.59 -2.47 116.42 117.83 2wby h ASP 389 Ca 0.44 -0.48 0.10 0.00 0.02 0.00 0.00 57.03 57.10 2wby h ASP 389 Cb 0.25 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 2wby h ASP 389 CO -0.20 1.27 0.24 0.40 -1.72 0.00 0.00 179.24 179.23 2wby h ILE 390 N 0.31 0.76 -0.09 0.35 2.04 -0.08 -0.82 117.51 119.99 2wby h ILE 390 Ca -0.07 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 2wby h ILE 390 Cb 1.51 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2wby h ILE 390 CO 0.16 0.08 -0.48 0.40 0.00 0.00 0.00 178.15 178.30 2wby h ILE 391 N 0.42 1.34 -0.23 -0.67 2.04 -1.08 -1.35 117.51 117.99 2wby h ILE 391 Ca 0.32 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.50 2wby h ILE 391 Cb 0.39 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2wby h ILE 391 CO -0.31 0.50 0.11 0.25 0.00 0.00 0.00 178.15 178.70 2wby h LEU 392 N 0.18 0.15 -0.78 1.44 5.85 -0.95 -0.55 115.31 120.65 2wby h LEU 392 Ca 0.01 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2wby h LEU 392 Cb 0.92 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 2wby h LEU 392 CO 0.07 0.12 0.47 0.45 -0.34 0.00 0.00 178.44 179.22 2wby h HIS 393 N 0.23 0.88 -0.64 1.25 3.86 -0.65 0.42 115.15 120.49 2wby h HIS 393 Ca 0.09 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2wby h HIS 393 Cb 0.03 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.17 2wby h HIS 393 CO -0.10 0.45 0.37 0.52 0.86 0.00 0.00 177.93 180.03 2wby h MET 394 N 0.88 0.69 -0.10 2.45 2.86 -0.74 -0.49 114.93 120.48 2wby h MET 394 Ca 0.34 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.81 2wby h MET 394 Cb 0.15 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2wby h MET 394 CO -0.17 0.46 -0.49 0.74 1.06 0.00 0.00 176.91 178.51 2wby h PHE 395 N 0.71 0.32 -0.68 -0.22 -1.00 0.58 -0.84 116.94 115.82 2wby h PHE 395 Ca 0.27 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.90 2wby h PHE 395 Cb 0.10 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 2wby h PHE 395 CO -0.07 0.71 0.22 1.96 -1.61 0.00 0.00 178.31 179.52 2wby h GLN 396 N 0.21 1.05 -0.31 1.51 4.20 0.27 0.20 115.11 122.23 2wby h GLN 396 Ca 0.01 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 2wby h GLN 396 Cb 0.95 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 2wby h GLN 396 CO 0.08 0.91 0.00 -0.92 -0.67 0.00 0.00 178.83 178.22 2wby h TYR 397 N 0.98 0.60 -0.63 2.96 3.20 -0.59 -0.73 116.97 122.77 2wby h TYR 397 Ca 0.22 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 62.01 2wby h TYR 397 Cb 0.29 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2wby h TYR 397 CO 0.02 0.68 0.39 0.82 -1.64 0.00 0.00 178.16 178.42 2wby h ILE 398 N 0.34 1.07 -0.90 1.81 2.04 -1.01 -2.09 117.51 118.77 2wby h ILE 398 Ca 0.09 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2wby h ILE 398 Cb 0.44 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 2wby h ILE 398 CO 0.02 0.14 0.57 -0.61 0.00 0.00 0.00 178.15 178.27 2wby h GLN 399 N 0.76 1.02 -0.93 2.37 5.75 -0.24 0.34 115.11 124.17 2wby h GLN 399 Ca 0.25 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.81 2wby h GLN 399 Cb 0.03 -0.23 -0.07 0.00 1.07 0.00 0.00 27.48 28.27 2wby h GLN 399 CO -0.11 0.67 0.60 -0.22 -2.65 0.00 0.00 178.83 177.12 2wby h LYS 400 N 1.05 0.86 -0.18 1.69 1.63 -0.52 0.99 116.57 122.09 2wby h LYS 400 Ca 0.39 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 60.02 2wby h LYS 400 Cb 0.15 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 2wby h LYS 400 CO -0.17 0.57 -0.42 -0.07 -3.45 0.00 0.00 179.45 175.91 2wby h LEU 401 N 0.88 0.44 -0.47 5.20 3.38 -0.32 -1.51 115.31 122.92 2wby h LEU 401 Ca 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2wby h LEU 401 Cb 0.50 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2wby h LEU 401 CO -0.21 0.81 0.18 0.03 0.09 0.00 0.00 178.44 179.33 2wby h ARG 402 N 0.34 0.71 -0.45 1.13 3.08 -0.48 -2.38 114.38 116.32 2wby h ARG 402 Ca 0.03 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2wby h ARG 402 Cb 0.88 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2wby h ARG 402 CO 0.07 0.65 0.05 0.00 -1.07 0.00 0.00 179.97 179.67 2wby h ALA 403 N 1.02 0.60 0.00 0.04 0.00 -0.43 -2.58 119.26 117.92 2wby h ALA 403 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wby h ALA 403 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wby h ALA 403 CO -0.01 0.35 0.00 0.93 0.00 0.00 0.00 179.25 180.52 2wby h GLU 404 N 0.62 0.00 -2.84 0.00 4.39 -1.28 -3.50 114.58 111.97 2wby h GLU 404 Ca 0.13 0.00 0.32 0.00 0.34 0.00 0.00 59.36 60.15 2wby h GLU 404 Cb 0.42 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.96 2wby h GLU 404 CO 0.01 0.00 -0.72 0.41 -1.16 0.00 0.00 179.01 177.55 2wby n GLY 405 N 1.02 -2.45 3.75 -3.84 0.00 -0.90 -4.89 105.19 97.88 2wby n GLY 405 Ca 0.04 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 2wby n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wby n PRO 406 N -4.00 1.90 -4.03 1.61 -0.02 -1.26 -4.96 135.00 124.24 2wby n PRO 406 Ca -0.03 0.69 -0.31 0.00 -2.02 0.00 0.00 63.50 61.83 2wby n PRO 406 Cb 0.57 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 2wby n PRO 406 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wby s GLN 407 N -2.71 1.98 0.24 -0.52 -1.52 -1.26 -4.98 119.66 110.88 2wby s GLN 407 Ca 0.68 -1.31 -0.06 0.00 -1.95 0.00 0.00 55.36 52.72 2wby s GLN 407 Cb -0.43 -2.83 0.24 0.00 -0.22 0.00 0.00 33.01 29.77 2wby s GLN 407 CO 0.52 -0.62 1.90 1.49 -0.25 0.00 0.00 175.29 178.33 2wby h GLU 408 N 7.81 1.29 -0.75 2.91 4.81 -2.00 -1.53 114.58 127.13 2wby h GLU 408 Ca -0.17 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.00 2wby h GLU 408 Cb 1.05 -0.28 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2wby h GLU 408 CO 0.45 0.89 0.49 0.11 -0.73 0.00 0.00 179.01 180.23 2wby h TRP 409 N 1.32 0.84 -0.16 0.92 5.08 -1.99 0.18 115.95 122.14 2wby h TRP 409 Ca 0.35 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.32 2wby h TRP 409 Cb -0.08 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 25.79 2wby h TRP 409 CO 0.00 0.46 0.03 0.28 -1.28 0.00 0.00 178.44 177.94 2wby h VAL 410 N 0.85 1.21 -0.52 0.12 2.07 -1.72 -1.71 116.25 116.55 2wby h VAL 410 Ca 0.31 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 67.24 2wby h VAL 410 Cb 0.16 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2wby h VAL 410 CO -0.10 0.20 0.15 0.15 0.02 0.00 0.00 177.57 177.99 2wby h PHE 411 N 0.06 0.25 -0.89 1.57 3.57 -0.87 -1.67 116.94 118.97 2wby h PHE 411 Ca 0.05 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.69 2wby h PHE 411 Cb 0.28 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.91 2wby h PHE 411 CO 0.01 0.04 0.53 1.96 -2.23 0.00 0.00 178.31 178.62 2wby h GLN 412 N 0.30 0.83 -0.12 1.11 1.08 -0.45 0.07 115.11 117.93 2wby h GLN 412 Ca 0.26 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2wby h GLN 412 Cb 0.32 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2wby h GLN 412 CO -0.30 0.55 0.07 0.93 -0.95 0.00 0.00 178.83 179.13 2wby h GLU 413 N 0.86 0.17 -0.43 1.46 5.08 -0.41 0.19 114.58 121.50 2wby h GLU 413 Ca 0.44 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2wby h GLU 413 Cb 0.42 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2wby h GLU 413 CO -0.26 0.18 0.24 -0.07 -1.00 0.00 0.00 179.01 178.11 2wby h LEU 414 N 0.11 0.39 -0.48 1.33 4.07 -1.00 0.14 115.31 119.88 2wby h LEU 414 Ca 0.04 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.04 2wby h LEU 414 Cb 0.06 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.69 2wby h LEU 414 CO -0.01 0.28 0.27 0.50 -1.08 0.00 0.00 178.44 178.40 2wby h LYS 415 N 0.49 0.51 -0.45 1.13 3.64 -0.82 0.70 116.57 121.77 2wby h LYS 415 Ca 0.17 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2wby h LYS 415 Cb 0.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2wby h LYS 415 CO -0.09 0.34 0.07 -0.44 -2.27 0.00 0.00 179.45 177.07 2wby h ASP 416 N 0.53 0.72 -0.38 4.20 3.32 0.19 0.38 116.42 125.39 2wby h ASP 416 Ca 0.20 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2wby h ASP 416 Cb 0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2wby h ASP 416 CO -0.11 0.80 0.05 -0.07 -1.72 0.00 0.00 179.24 178.19 2wby h LEU 417 N 0.62 0.61 -1.28 1.55 4.07 -0.59 -0.53 115.31 119.75 2wby h LEU 417 Ca 0.14 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 2wby h LEU 417 Cb 0.38 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 2wby h LEU 417 CO 0.01 0.72 0.35 0.78 -1.08 0.00 0.00 178.44 179.22 2wby h ASN 418 N 0.47 0.75 -0.69 -0.43 4.21 -0.79 -0.28 115.58 118.82 2wby h ASN 418 Ca 0.11 -0.05 -0.06 0.00 1.21 0.00 0.00 56.30 57.52 2wby h ASN 418 Cb 0.38 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.36 2wby h ASN 418 CO 0.01 0.59 0.21 0.00 -1.29 0.00 0.00 177.43 176.95 2wby h ALA 419 N 1.53 0.90 -0.22 -0.83 0.00 -0.09 0.27 119.26 120.82 2wby h ALA 419 Ca 0.22 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2wby h ALA 419 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2wby h ALA 419 CO -0.04 0.58 -0.54 0.28 0.00 0.00 0.00 179.25 179.54 2wby h VAL 420 N 1.01 1.30 -0.38 0.00 2.07 -0.89 -0.16 116.25 119.19 2wby h VAL 420 Ca 0.22 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.96 2wby h VAL 420 Cb 0.31 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2wby h VAL 420 CO -0.01 0.56 0.08 0.00 0.02 0.00 0.00 177.57 178.22 2wby h ALA 421 N 0.61 1.43 -0.02 1.67 0.00 -0.72 -0.03 119.26 122.20 2wby h ALA 421 Ca -0.01 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2wby h ALA 421 Cb 1.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wby h ALA 421 CO 0.12 0.41 -0.26 0.35 0.00 0.00 0.00 179.25 179.87 2wby h PHE 422 N 0.56 0.30 -0.52 0.00 3.57 -0.55 -1.04 116.94 119.24 2wby h PHE 422 Ca 0.13 -0.15 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2wby h PHE 422 Cb 0.23 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 2wby h PHE 422 CO 0.01 0.92 0.11 -0.09 -2.23 0.00 0.00 178.31 177.03 2wby h ARG 423 N -0.41 0.24 -0.64 1.11 2.43 -0.75 -2.86 114.38 113.49 2wby h ARG 423 Ca -0.03 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 2wby h ARG 423 Cb 0.98 -0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 30.33 2wby h ARG 423 CO 0.05 0.16 0.24 1.19 -1.51 0.00 0.00 179.97 180.10 2wby n PHE 424 N -5.12 2.08 -1.72 2.20 3.01 -0.05 -4.55 117.46 113.31 2wby n PHE 424 Ca 0.06 -1.39 -0.42 0.00 1.01 0.00 0.00 57.45 56.71 2wby n PHE 424 Cb 0.26 -0.65 -0.01 0.00 -0.01 0.00 0.00 39.48 39.07 2wby n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2wby n LYS 425 N -0.64 2.32 -1.76 -1.08 4.81 -0.40 -4.93 118.16 116.48 2wby n LYS 425 Ca 0.41 0.82 -0.41 0.00 -0.87 0.00 0.00 58.31 58.25 2wby n LYS 425 Cb 1.31 -2.47 -0.01 0.00 0.02 0.00 0.00 35.03 33.88 2wby n LYS 425 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wby n ASP 426 N 1.01 3.88 -4.71 3.14 8.00 -1.26 -4.96 116.55 121.66 2wby n ASP 426 Ca 0.05 1.19 -0.43 0.00 0.71 0.00 0.00 54.79 56.31 2wby n ASP 426 Cb 0.36 -1.61 -0.03 0.00 -0.02 0.00 0.00 41.12 39.82 2wby n ASP 426 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2wby n LYS 427 N 1.32 2.73 -2.26 -1.24 4.81 -1.26 -4.96 118.16 117.30 2wby n LYS 427 Ca 0.05 0.99 -0.30 0.00 -0.87 0.00 0.00 58.31 58.17 2wby n LYS 427 Cb 0.38 -2.84 -0.01 0.00 0.02 0.00 0.00 35.03 32.58 2wby n LYS 427 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2wby s GLU 428 N 1.61 3.69 0.19 1.64 8.01 -1.26 -4.33 118.70 128.24 2wby s GLU 428 Ca 0.77 0.66 -0.30 0.00 0.01 0.00 0.00 54.97 56.12 2wby s GLU 428 Cb -0.52 -2.19 -0.08 0.00 -4.31 0.00 0.00 34.13 27.04 2wby s GLU 428 CO 0.34 -0.37 1.21 1.03 0.01 0.00 0.00 175.26 177.49 2wby s ARG 429 N -4.67 4.48 0.22 1.61 0.52 -1.26 -4.91 118.95 114.93 2wby s ARG 429 Ca 0.54 1.89 -0.11 0.00 -0.52 0.00 0.00 55.73 57.53 2wby s ARG 429 Cb -0.11 -3.24 0.30 0.00 0.52 0.00 0.00 34.95 32.43 2wby s ARG 429 CO 0.44 -0.11 1.66 -1.35 0.02 0.00 0.00 175.30 175.96 2wby h PRO 430 N 5.27 0.10 -0.80 3.54 0.11 -1.96 -1.73 132.00 136.52 2wby h PRO 430 Ca -0.44 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 2wby h PRO 430 Cb 1.21 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 2wby h PRO 430 CO 0.75 0.07 0.47 -0.09 -0.21 0.00 0.00 178.00 178.99 2wby h ARG 431 N 0.10 0.81 -0.16 1.05 2.43 -1.90 0.14 114.38 116.85 2wby h ARG 431 Ca 0.33 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.29 2wby h ARG 431 Cb 0.53 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2wby h ARG 431 CO -0.55 0.53 -0.56 0.78 -1.51 0.00 0.00 179.97 178.66 2wby h GLY 432 N 0.83 0.53 0.66 2.80 0.00 -1.84 -2.72 103.07 103.33 2wby h GLY 432 Ca 0.37 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2wby h GLY 432 CO -0.21 0.56 -0.07 -1.82 0.00 0.00 0.00 176.54 175.00 2wby h TYR 433 N 0.37 0.25 -0.66 5.60 3.20 -0.35 -0.66 116.97 124.72 2wby h TYR 433 Ca 0.00 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 2wby h TYR 433 Cb 1.10 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2wby h TYR 433 CO 0.04 0.62 0.14 1.79 -1.64 0.00 0.00 178.16 179.11 2wby h THR 434 N -0.19 1.26 -0.17 1.81 1.35 -0.84 -1.38 112.91 114.75 2wby h THR 434 Ca 0.02 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2wby h THR 434 Cb 0.57 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 2wby h THR 434 CO 0.02 0.37 0.11 -1.28 -0.25 0.00 0.00 175.52 174.49 2wby h SER 435 N 0.99 0.21 0.20 5.36 0.87 -1.37 -0.46 113.55 119.35 2wby h SER 435 Ca 0.20 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2wby h SER 435 Cb 0.39 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2wby h SER 435 CO 0.01 0.19 -0.10 0.50 -0.53 0.00 0.00 176.83 176.90 2wby h LYS 436 N 0.21 -0.26 -0.33 2.24 1.63 -0.91 -2.79 116.57 116.36 2wby h LYS 436 Ca 0.06 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 2wby h LYS 436 Cb 0.02 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 2wby h LYS 436 CO -0.01 -0.14 0.00 0.82 -3.45 0.00 0.00 179.45 176.67 2wby h ILE 437 N -0.31 1.19 -0.56 2.00 2.04 -1.09 -2.29 117.51 118.49 2wby h ILE 437 Ca -0.03 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2wby h ILE 437 Cb 0.24 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2wby h ILE 437 CO 0.04 0.26 0.35 0.00 0.00 0.00 0.00 178.15 178.81 2wby h ALA 438 N 1.51 0.72 0.08 1.87 0.00 -0.91 0.92 119.26 123.44 2wby h ALA 438 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wby h ALA 438 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wby h ALA 438 CO 0.01 0.18 -0.13 0.78 0.00 0.00 0.00 179.25 180.09 2wby h GLY 439 N 0.76 -0.23 1.91 0.00 0.00 -1.29 -3.21 103.07 101.01 2wby h GLY 439 Ca 0.20 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2wby h GLY 439 CO -0.04 -0.13 -0.06 0.29 0.00 0.00 0.00 176.54 176.60 2wby n ILE 440 N -5.26 0.31 0.29 2.60 -5.35 -0.88 -2.60 119.36 108.47 2wby n ILE 440 Ca -0.07 -0.15 0.18 0.00 -0.27 0.00 0.00 62.75 62.45 2wby n ILE 440 Cb 0.18 -0.49 0.98 0.00 -1.74 0.00 0.00 39.64 38.57 2wby n ILE 440 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2wby h LEU 441 N 0.00 0.00 0.00 7.28 3.38 -0.83 0.40 115.31 125.54 2wby h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wby h LEU 441 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2wby h LEU 441 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 2wby n HIS 442 N -3.42 0.00 0.00 1.13 8.25 -1.07 -4.06 115.22 116.05 2wby n HIS 442 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2wby n HIS 442 Cb 0.20 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.04 2wby n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2wby n TYR 443 N -1.27 0.00 -4.04 4.41 4.02 0.12 -5.07 117.16 115.33 2wby n TYR 443 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.85 2wby n TYR 443 Cb 0.14 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.34 2wby n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2wby s TYR 444 N -1.21 0.46 0.53 -0.72 2.02 -1.20 -5.06 117.35 112.18 2wby s TYR 444 Ca 0.00 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.11 2wby s TYR 444 Cb 0.00 -0.29 -0.07 0.00 -0.40 0.00 0.00 41.96 41.20 2wby s TYR 444 CO 0.00 -0.09 1.01 -2.30 -1.57 0.00 0.00 175.55 172.60 2wby n PRO 445 N 1.93 1.15 -0.31 -1.71 -0.02 -1.26 -4.80 135.00 129.98 2wby n PRO 445 Ca -0.20 0.43 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 2wby n PRO 445 Cb 0.56 -2.15 0.21 0.00 -0.02 0.00 0.00 33.50 32.10 2wby n PRO 445 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wby h LEU 446 N 0.99 -0.50 -1.52 2.45 4.07 -1.99 -1.21 115.31 117.60 2wby h LEU 446 Ca -0.47 0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.69 2wby h LEU 446 Cb 1.35 0.45 -0.01 0.00 1.08 0.00 0.00 40.66 43.53 2wby h LEU 446 CO 0.54 -0.28 -0.22 -0.33 -1.08 0.00 0.00 178.44 177.07 2wby h GLU 447 N 0.05 0.00 -0.29 1.13 3.07 -1.87 -2.81 114.58 113.85 2wby h GLU 447 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2wby h GLU 447 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 2wby h GLU 447 CO -0.84 0.22 0.00 0.39 -1.40 0.00 0.00 179.01 177.38 2wby n GLU 448 N -3.69 2.37 0.25 2.33 1.02 -0.48 -2.05 120.64 120.40 2wby n GLU 448 Ca -0.01 -2.06 0.09 0.00 -0.02 0.00 0.00 57.16 55.16 2wby n GLU 448 Cb 0.34 -1.49 0.63 0.00 -0.02 0.00 0.00 31.44 30.90 2wby n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2wby h VAL 449 N 4.22 0.82 -0.02 2.62 -1.51 -1.28 0.36 116.25 121.46 2wby h VAL 449 Ca 0.00 -0.58 -0.21 0.00 -1.23 0.00 0.00 66.70 64.68 2wby h VAL 449 Cb 0.92 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2wby h VAL 449 CO 0.00 0.15 -0.88 -0.07 -1.23 0.00 0.00 177.57 175.54 2wby h LEU 450 N 0.00 0.48 0.00 4.19 4.07 -1.82 -3.39 115.31 118.84 2wby h LEU 450 Ca -0.00 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.59 2wby h LEU 450 Cb 0.33 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2wby h LEU 450 CO 0.02 1.15 -1.37 0.35 -1.08 0.00 0.00 178.44 177.50 2wby n THR 451 N -3.76 0.00 -0.24 0.22 -2.24 -0.74 -4.62 114.28 102.90 2wby n THR 451 Ca -0.06 -0.27 0.22 0.00 -2.27 0.00 0.00 64.05 61.67 2wby n THR 451 Cb 0.80 0.37 0.56 0.00 -2.10 0.00 0.00 70.33 69.95 2wby n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wby h ALA 452 N 1.23 2.36 0.00 6.98 0.00 -0.50 0.19 119.26 129.52 2wby h ALA 452 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wby h ALA 452 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2wby h ALA 452 CO 0.00 -0.66 -0.26 0.39 0.00 0.00 0.00 179.25 178.72 2wby n GLU 453 N -4.47 0.03 -0.09 0.00 1.02 -1.26 -4.29 120.64 111.58 2wby n GLU 453 Ca 0.20 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.20 2wby n GLU 453 Cb 0.79 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.62 2wby n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wby n TYR 454 N -1.56 0.00 -3.04 -0.32 4.01 0.52 -4.99 117.16 111.77 2wby n TYR 454 Ca 0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 2wby n TYR 454 Cb 0.35 -0.64 -0.06 0.00 -0.31 0.00 0.00 39.34 38.68 2wby n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wby s LEU 455 N -6.44 4.27 0.17 7.72 1.43 -0.33 -4.60 118.68 120.91 2wby s LEU 455 Ca -0.23 0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 2wby s LEU 455 Cb 0.08 -2.87 -0.08 0.00 0.03 0.00 0.00 46.19 43.35 2wby s LEU 455 CO 0.35 -0.73 0.66 -0.76 0.23 0.00 0.00 176.35 176.10 2wby s LEU 456 N 2.95 4.40 0.00 1.79 1.43 -1.26 -4.87 118.68 123.11 2wby s LEU 456 Ca 0.27 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 2wby s LEU 456 Cb -0.14 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2wby s LEU 456 CO 0.18 0.11 0.00 -0.62 0.23 0.00 0.00 176.35 176.24 2wby n GLU 457 N 0.99 0.84 -4.22 1.70 1.02 0.75 -5.00 120.64 116.72 2wby n GLU 457 Ca -0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.75 2wby n GLU 457 Cb 0.51 -0.70 -0.12 0.00 -0.02 0.00 0.00 31.44 31.11 2wby n GLU 457 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wby s GLU 458 N -1.39 3.69 -0.14 3.49 2.02 -0.74 -5.03 118.70 120.60 2wby s GLU 458 Ca 0.00 -0.50 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 2wby s GLU 458 Cb 0.00 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 2wby s GLU 458 CO 0.00 0.15 0.83 0.12 0.02 0.00 0.00 175.26 176.38 2wby s PHE 459 N 0.62 3.47 -0.52 1.61 5.36 -1.26 -4.20 117.98 123.06 2wby s PHE 459 Ca -0.01 1.30 0.07 0.00 -0.96 0.00 0.00 56.93 57.33 2wby s PHE 459 Cb -0.14 -2.99 0.25 0.00 -0.34 0.00 0.00 43.02 39.80 2wby s PHE 459 CO 0.02 -0.17 0.64 0.54 -1.46 0.00 0.00 175.22 174.80 2wby n ARG 460 N 4.88 1.70 0.03 10.12 5.12 -1.26 -4.93 116.66 132.31 2wby n ARG 460 Ca 0.04 -4.00 0.21 0.00 -1.93 0.00 0.00 57.85 52.16 2wby n ARG 460 Cb 0.49 -1.78 0.73 0.00 -1.16 0.00 0.00 32.46 30.74 2wby n ARG 460 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2wby h PRO 461 N 4.08 0.00 -0.45 5.56 0.13 -1.97 -0.09 132.00 139.27 2wby h PRO 461 Ca 0.14 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.14 2wby h PRO 461 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 2wby h PRO 461 CO 0.66 0.00 -0.22 0.38 -0.23 0.00 0.00 178.00 178.59 2wby h ASP 462 N 0.00 0.93 0.03 1.44 -0.00 -1.99 -1.50 116.42 115.32 2wby h ASP 462 Ca 0.24 -0.35 -0.15 0.00 -0.00 0.00 0.00 57.03 56.77 2wby h ASP 462 Cb 1.07 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 40.14 2wby h ASP 462 CO -0.00 1.11 -0.52 -0.07 -0.00 0.00 0.00 179.24 179.76 2wby h LEU 463 N 0.79 0.59 -0.36 0.15 3.38 -1.46 -0.78 115.31 117.62 2wby h LEU 463 Ca 0.10 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2wby h LEU 463 Cb 0.77 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2wby h LEU 463 CO 0.06 1.00 0.02 0.40 0.09 0.00 0.00 178.44 180.01 2wby h ILE 464 N 0.42 1.25 -0.65 1.22 2.04 -1.22 -1.75 117.51 118.82 2wby h ILE 464 Ca 0.01 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 2wby h ILE 464 Cb 1.05 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2wby h ILE 464 CO 0.10 0.31 0.17 -0.08 0.00 0.00 0.00 178.15 178.65 2wby h GLU 465 N 0.44 1.04 -0.84 2.37 4.81 -1.24 -1.68 114.58 119.49 2wby h GLU 465 Ca 0.10 -0.25 0.10 0.00 -0.13 0.00 0.00 59.36 59.19 2wby h GLU 465 Cb 0.43 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2wby h GLU 465 CO 0.01 0.93 0.54 1.98 -0.73 0.00 0.00 179.01 181.75 2wby h MET 466 N 0.97 0.75 0.22 1.92 4.05 -0.62 0.11 114.93 122.33 2wby h MET 466 Ca 0.21 -0.05 -0.30 0.00 -0.28 0.00 0.00 59.70 59.28 2wby h MET 466 Cb 0.35 -0.17 0.03 0.00 -0.80 0.00 0.00 31.60 31.02 2wby h MET 466 CO 0.00 0.50 -1.32 0.28 0.23 0.00 0.00 176.91 176.60 2wby h VAL 467 N 0.77 1.31 -0.78 -5.77 2.07 -1.18 -3.10 116.25 109.58 2wby h VAL 467 Ca 0.39 -2.63 0.14 0.00 0.82 0.00 0.00 66.70 65.41 2wby h VAL 467 Cb 0.47 3.06 -0.05 0.00 -1.52 0.00 0.00 31.29 33.24 2wby h VAL 467 CO -0.16 0.79 0.51 0.25 0.02 0.00 0.00 177.57 178.98 2wby h LEU 468 N -0.01 0.48 0.00 2.57 5.85 -0.87 -0.97 115.31 122.37 2wby h LEU 468 Ca -0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2wby h LEU 468 Cb 2.01 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2wby h LEU 468 CO 0.23 0.26 0.00 -0.67 -0.34 0.00 0.00 178.44 177.92 2wby n ASP 469 N -4.50 0.00 -0.12 1.25 2.03 0.35 -1.54 116.55 114.01 2wby n ASP 469 Ca 0.14 0.49 0.11 0.00 0.52 0.00 0.00 54.79 56.05 2wby n ASP 469 Cb 0.48 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 40.37 2wby n ASP 469 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wby n LYS 470 N -1.50 0.31 -3.10 -0.67 4.76 -0.37 -4.60 118.16 113.00 2wby n LYS 470 Ca 0.03 -0.25 -0.44 0.00 -2.87 0.00 0.00 58.31 54.78 2wby n LYS 470 Cb 0.13 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 31.83 2wby n LYS 470 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wby n LEU 471 N -1.13 6.07 -4.10 -0.35 4.77 -0.59 -4.76 117.00 116.91 2wby n LEU 471 Ca 0.06 -5.10 -0.17 0.00 -0.03 0.00 0.00 56.01 50.77 2wby n LEU 471 Cb 0.36 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 2wby n LEU 471 CO 0.38 1.52 -0.44 -0.13 -1.33 0.00 0.00 177.39 177.39 2wby s ARG 472 N -1.94 0.72 0.45 3.23 0.52 -1.26 -5.01 118.95 115.67 2wby s ARG 472 Ca 0.32 -0.72 0.17 0.00 -0.52 0.00 0.00 55.73 54.98 2wby s ARG 472 Cb -0.01 -0.66 1.12 0.00 0.52 0.00 0.00 34.95 35.92 2wby s ARG 472 CO 0.03 0.15 1.95 -1.35 0.02 0.00 0.00 175.30 176.10 2wby h PRO 473 N 4.81 0.32 0.00 3.54 0.11 -1.90 -0.51 132.00 138.37 2wby h PRO 473 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2wby h PRO 473 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wby h PRO 473 CO 0.43 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.48 2wby h GLU 474 N 0.33 0.00 -1.90 1.05 9.09 -1.96 -2.81 114.58 118.38 2wby h GLU 474 Ca 0.32 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 59.11 2wby h GLU 474 Cb 0.81 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 27.51 2wby h GLU 474 CO -0.08 0.00 -0.42 0.27 0.05 0.00 0.00 179.01 178.82 2wby n ASN 475 N -2.96 5.05 -4.63 3.06 6.94 -0.20 -4.42 115.26 118.10 2wby n ASN 475 Ca 0.01 -3.72 -0.31 0.00 -0.02 0.00 0.00 54.58 50.54 2wby n ASN 475 Cb 0.28 -0.60 -0.09 0.00 -2.36 0.00 0.00 39.78 37.01 2wby n ASN 475 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2wby s VAL 476 N -5.01 3.78 -0.06 3.53 0.11 -1.06 -4.27 120.40 117.42 2wby s VAL 476 Ca 0.48 -0.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 2wby s VAL 476 Cb 0.34 -2.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 2wby s VAL 476 CO -0.19 0.23 -0.17 -0.13 -3.33 0.00 0.00 175.10 171.51 2wby s ARG 477 N -1.93 1.99 -0.07 1.54 0.52 -0.17 -0.26 118.95 120.56 2wby s ARG 477 Ca 0.21 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 2wby s ARG 477 Cb -0.11 -1.65 0.01 0.00 0.52 0.00 0.00 34.95 33.71 2wby s ARG 477 CO 0.13 0.19 -0.16 0.08 0.02 0.00 0.00 175.30 175.55 2wby s VAL 478 N 0.23 1.44 -0.05 3.52 1.01 -0.55 -1.06 120.40 124.93 2wby s VAL 478 Ca -0.09 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2wby s VAL 478 Cb -0.14 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2wby s VAL 478 CO 0.04 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.48 2wby s ALA 479 N 0.41 0.94 -0.11 5.51 0.00 0.13 -1.00 121.76 127.64 2wby s ALA 479 Ca -0.13 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2wby s ALA 479 Cb -0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2wby s ALA 479 CO 0.05 0.04 -0.19 0.42 0.00 0.00 0.00 175.76 176.07 2wby s ILE 480 N 0.82 2.48 -0.23 0.00 1.01 -0.05 -0.75 121.20 124.47 2wby s ILE 480 Ca -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2wby s ILE 480 Cb -0.15 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 2wby s ILE 480 CO 0.02 0.55 -0.04 -0.69 0.00 0.00 0.00 174.94 174.78 2wby s VAL 481 N 0.32 3.37 -0.23 2.92 1.01 0.51 -0.85 120.40 127.45 2wby s VAL 481 Ca -0.15 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2wby s VAL 481 Cb -0.17 -2.56 0.08 0.00 0.00 0.00 0.00 36.38 33.72 2wby s VAL 481 CO 0.07 0.38 0.75 -0.55 0.00 0.00 0.00 175.10 175.76 2wby s SER 482 N 1.47 -0.69 0.58 3.32 0.15 -0.50 -1.87 113.70 116.15 2wby s SER 482 Ca 0.05 1.24 0.33 0.00 0.70 0.00 0.00 55.95 58.27 2wby s SER 482 Cb -0.15 1.22 1.81 0.00 -1.71 0.00 0.00 66.02 67.19 2wby s SER 482 CO -0.03 -0.30 2.19 0.11 1.20 0.00 0.00 173.24 176.41 2wby h LYS 483 N 4.52 0.00 0.00 5.44 1.79 -1.84 -2.66 116.57 123.82 2wby h LYS 483 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2wby h LYS 483 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2wby h LYS 483 CO 0.12 0.04 0.07 0.66 -1.08 0.00 0.00 179.45 179.27 2wby h SER 484 N 0.00 0.00 0.25 0.86 4.64 -1.94 0.12 113.55 117.48 2wby h SER 484 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wby h SER 484 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2wby h SER 484 CO 0.01 0.00 -0.25 0.49 -0.87 0.00 0.00 176.83 176.21 2wby n PHE 485 N -2.38 0.00 -1.67 4.77 0.99 -1.00 -4.83 117.46 113.34 2wby n PHE 485 Ca -0.02 0.00 -0.51 0.00 -0.00 0.00 0.00 57.45 56.92 2wby n PHE 485 Cb 0.11 -0.13 -0.06 0.00 -1.00 0.00 0.00 39.48 38.40 2wby n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2wby n GLU 486 N -0.69 1.70 0.00 -1.08 4.07 0.43 -0.29 120.64 124.78 2wby n GLU 486 Ca 0.12 0.62 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 2wby n GLU 486 Cb 0.34 -2.37 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 2wby n GLU 486 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wby n GLY 487 N 3.87 3.17 1.10 8.31 0.00 -1.26 -4.84 105.19 115.53 2wby n GLY 487 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.31 2wby n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wby n LYS 488 N -1.87 2.66 -4.01 1.61 4.76 0.61 -4.96 118.16 116.95 2wby n LYS 488 Ca 0.00 -1.90 -0.22 0.00 -2.87 0.00 0.00 58.31 53.32 2wby n LYS 488 Cb 0.00 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 31.54 2wby n LYS 488 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2wby s THR 489 N -1.63 3.71 0.00 -0.18 -4.23 -1.23 -4.87 115.64 107.21 2wby s THR 489 Ca 0.34 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 2wby s THR 489 Cb 0.21 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2wby s THR 489 CO 0.18 -0.25 0.20 -0.90 -0.54 0.00 0.00 174.62 173.31 2wby n ASP 490 N -1.22 0.16 -4.49 3.99 5.68 -1.08 -4.95 116.55 114.64 2wby n ASP 490 Ca -0.04 -1.03 -0.24 0.00 -0.50 0.00 0.00 54.79 52.97 2wby n ASP 490 Cb 0.59 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.47 2wby n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wby s ARG 491 N -0.03 1.71 -0.07 0.11 1.81 0.10 -5.00 118.95 117.57 2wby s ARG 491 Ca 0.00 -1.84 -0.02 0.00 -1.72 0.00 0.00 55.73 52.14 2wby s ARG 491 Cb 0.00 -1.64 0.04 0.00 -0.45 0.00 0.00 34.95 32.90 2wby s ARG 491 CO 0.00 0.20 0.06 0.99 -0.68 0.00 0.00 175.30 175.87 2wby s THR 492 N -2.64 -0.01 0.19 0.02 2.01 -1.26 -1.92 115.64 112.04 2wby s THR 492 Ca 0.31 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 2wby s THR 492 Cb -0.00 -0.32 -0.09 0.00 0.01 0.00 0.00 72.50 72.10 2wby s THR 492 CO 0.15 0.09 1.34 -0.70 -0.69 0.00 0.00 174.62 174.81 2wby s GLU 493 N 2.12 4.36 0.08 4.92 -6.30 -0.07 -4.90 118.70 118.91 2wby s GLU 493 Ca 0.04 2.09 -0.22 0.00 -2.50 0.00 0.00 54.97 54.38 2wby s GLU 493 Cb -0.13 -3.19 -0.12 0.00 0.00 0.00 0.00 34.13 30.68 2wby s GLU 493 CO -0.05 -0.31 1.62 1.49 0.02 0.00 0.00 175.26 178.03 2wby h GLU 494 N 5.61 0.16 0.00 4.30 4.81 -1.95 0.35 114.58 127.86 2wby h GLU 494 Ca -0.44 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 58.59 2wby h GLU 494 Cb 1.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2wby h GLU 494 CO 0.79 0.26 -0.81 -1.49 -0.73 0.00 0.00 179.01 177.04 2wby h TRP 495 N 0.03 0.00 0.00 0.92 4.06 -1.99 -3.37 115.95 115.60 2wby h TRP 495 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2wby h TRP 495 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 2wby h TRP 495 CO -0.02 0.81 -1.02 0.66 -3.56 0.00 0.00 178.44 175.31 2wby n TYR 496 N -3.56 0.00 -0.23 0.49 4.02 -1.23 -5.01 117.16 111.64 2wby n TYR 496 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2wby n TYR 496 Cb 0.78 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 2wby n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wby n GLY 497 N 2.38 0.78 3.73 2.72 0.00 0.11 -4.91 105.19 110.00 2wby n GLY 497 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wby n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wby n THR 498 N -2.14 0.44 -3.44 2.61 -1.04 -1.23 -4.57 114.28 104.90 2wby n THR 498 Ca 0.00 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.05 61.53 2wby n THR 498 Cb 0.00 -1.97 -0.07 0.00 -1.82 0.00 0.00 70.33 66.46 2wby n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2wby s GLN 499 N 0.45 4.21 0.28 -2.82 -1.52 -1.26 -0.89 119.66 118.10 2wby s GLN 499 Ca 0.70 0.16 -0.17 0.00 -1.95 0.00 0.00 55.36 54.11 2wby s GLN 499 Cb -0.50 -3.50 0.01 0.00 -0.22 0.00 0.00 33.01 28.80 2wby s GLN 499 CO 0.39 0.06 0.63 1.52 -0.25 0.00 0.00 175.29 177.64 2wby s TYR 500 N 1.00 0.08 0.03 0.91 1.13 -0.81 -1.50 117.35 118.20 2wby s TYR 500 Ca 0.18 -0.51 0.08 0.00 -1.41 0.00 0.00 57.07 55.40 2wby s TYR 500 Cb -0.14 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.20 2wby s TYR 500 CO 0.07 -1.18 -0.22 0.21 -2.51 0.00 0.00 175.55 171.92 2wby s LYS 501 N -3.78 1.55 -0.04 -3.49 2.20 -0.48 0.00 119.74 115.69 2wby s LYS 501 Ca 0.16 -0.95 0.06 0.00 -0.36 0.00 0.00 55.97 54.89 2wby s LYS 501 Cb -0.04 -1.65 -0.02 0.00 -1.51 0.00 0.00 37.83 34.62 2wby s LYS 501 CO 0.09 0.43 -0.23 -1.14 -0.36 0.00 0.00 175.35 174.13 2wby s GLN 502 N -1.06 2.37 -0.03 4.03 0.74 -1.26 -1.02 119.66 123.42 2wby s GLN 502 Ca 0.09 -0.87 -0.05 0.00 0.05 0.00 0.00 55.36 54.57 2wby s GLN 502 Cb -0.09 -2.16 0.01 0.00 1.10 0.00 0.00 33.01 31.87 2wby s GLN 502 CO 0.01 0.50 0.13 -1.21 -0.55 0.00 0.00 175.29 174.18 2wby s GLU 503 N -0.46 0.27 0.14 1.67 2.02 -0.75 -4.99 118.70 116.61 2wby s GLU 503 Ca 0.05 -0.03 -0.31 0.00 0.02 0.00 0.00 54.97 54.70 2wby s GLU 503 Cb -0.12 0.12 -0.09 0.00 0.10 0.00 0.00 34.13 34.14 2wby s GLU 503 CO 0.01 -0.05 1.54 0.00 0.02 0.00 0.00 175.26 176.78 2wby s ALA 504 N -0.46 3.73 0.14 5.21 0.00 -1.26 -0.51 121.76 128.62 2wby s ALA 504 Ca -0.05 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 2wby s ALA 504 Cb -0.04 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 2wby s ALA 504 CO 0.01 -0.78 1.72 0.42 0.00 0.00 0.00 175.76 177.13 2wby s ILE 505 N 1.30 2.51 0.14 0.00 1.01 -0.22 -4.84 121.20 121.10 2wby s ILE 505 Ca 0.69 0.19 -0.33 0.00 0.00 0.00 0.00 60.65 61.20 2wby s ILE 505 Cb -0.42 -3.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.80 2wby s ILE 505 CO 0.31 0.01 1.65 -2.65 0.00 0.00 0.00 174.94 174.26 2wby n PRO 506 N 4.93 2.29 -0.37 2.79 -0.02 -1.26 -4.81 135.00 138.54 2wby n PRO 506 Ca 0.16 0.83 0.32 0.00 -2.02 0.00 0.00 63.50 62.79 2wby n PRO 506 Cb 0.38 -2.63 0.64 0.00 -0.02 0.00 0.00 33.50 31.87 2wby n PRO 506 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2wby h ASP 507 N 6.61 0.22 -0.62 2.55 3.45 -1.99 0.29 116.42 126.92 2wby h ASP 507 Ca -0.45 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.00 2wby h ASP 507 Cb 1.25 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 40.02 2wby h ASP 507 CO 0.91 -0.00 0.12 -0.08 -1.57 0.00 0.00 179.24 178.61 2wby h GLU 508 N 0.17 1.02 -0.53 3.56 4.81 -2.00 -1.79 114.58 119.83 2wby h GLU 508 Ca 0.65 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2wby h GLU 508 Cb 2.12 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.35 2wby h GLU 508 CO -0.20 0.94 0.24 0.28 -0.73 0.00 0.00 179.01 179.54 2wby h VAL 509 N 0.93 1.20 -0.61 0.32 2.07 -0.78 -1.68 116.25 117.69 2wby h VAL 509 Ca 0.19 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.23 2wby h VAL 509 Cb 0.41 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2wby h VAL 509 CO 0.01 0.23 0.18 0.40 0.02 0.00 0.00 177.57 178.41 2wby h ILE 510 N 0.71 0.69 -0.07 4.57 5.03 -1.29 -1.51 117.51 125.64 2wby h ILE 510 Ca 0.18 -0.11 -0.01 0.00 -0.12 0.00 0.00 64.86 64.80 2wby h ILE 510 Cb 0.14 0.33 -0.00 0.00 -3.03 0.00 0.00 36.82 34.26 2wby h ILE 510 CO -0.02 0.06 0.01 0.11 -0.68 0.00 0.00 178.15 177.63 2wby h LYS 511 N 0.32 0.11 -0.83 2.37 6.56 -1.05 0.55 116.57 124.61 2wby h LYS 511 Ca 0.32 -0.03 0.15 0.00 -1.06 0.00 0.00 60.65 60.03 2wby h LYS 511 Cb 0.45 -0.01 -0.10 0.00 -0.57 0.00 0.00 32.23 32.00 2wby h LYS 511 CO -0.37 0.36 0.39 -0.22 -2.06 0.00 0.00 179.45 177.55 2wby h LYS 512 N -0.15 0.53 -0.24 3.15 3.11 -1.15 0.94 116.57 122.76 2wby h LYS 512 Ca 0.02 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.71 2wby h LYS 512 Cb 0.30 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 2wby h LYS 512 CO 0.00 0.35 -0.31 -1.49 -2.81 0.00 0.00 179.45 175.19 2wby h TRP 513 N 0.54 0.77 -0.07 1.91 6.55 -0.24 -2.92 115.95 122.49 2wby h TRP 513 Ca 0.46 -0.25 0.02 0.00 0.95 0.00 0.00 58.89 60.07 2wby h TRP 513 Cb 0.70 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 28.84 2wby h TRP 513 CO -0.12 0.98 0.14 1.96 -1.05 0.00 0.00 178.44 180.36 2wby h GLN 514 N 0.34 0.00 -1.00 0.49 4.20 0.23 -2.04 115.11 117.33 2wby h GLN 514 Ca 0.03 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.23 2wby h GLN 514 Cb 0.88 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.36 2wby h GLN 514 CO 0.07 0.00 0.65 0.09 -0.67 0.00 0.00 178.83 178.97 2wby n ASN 515 N -3.43 3.86 -4.69 1.46 5.03 -0.03 -4.98 115.26 112.48 2wby n ASN 515 Ca -0.01 -3.58 -0.42 0.00 0.87 0.00 0.00 54.58 51.44 2wby n ASN 515 Cb 0.23 -0.84 -0.03 0.00 -1.02 0.00 0.00 39.78 38.13 2wby n ASN 515 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wby s ALA 516 N -3.24 3.69 0.62 5.41 0.00 -0.77 -4.98 121.76 122.49 2wby s ALA 516 Ca 0.56 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.70 2wby s ALA 516 Cb 0.47 -3.68 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2wby s ALA 516 CO 0.10 -1.06 0.91 -0.51 0.00 0.00 0.00 175.76 175.20 2wby s ASP 517 N 2.24 5.22 0.25 0.00 1.01 -1.26 -4.85 116.67 119.29 2wby s ASP 517 Ca 0.73 0.43 -0.30 0.00 0.71 0.00 0.00 52.55 54.13 2wby s ASP 517 Cb -0.40 -1.28 -0.09 0.00 1.01 0.00 0.00 42.92 42.16 2wby s ASP 517 CO 0.32 -1.28 1.22 -0.76 0.21 0.00 0.00 175.17 174.89 2wby s LEU 518 N -5.02 4.46 -0.16 1.23 1.43 -1.26 -4.67 118.68 114.69 2wby s LEU 518 Ca 0.57 2.39 -0.02 0.00 -1.03 0.00 0.00 54.13 56.04 2wby s LEU 518 Cb -0.11 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 2wby s LEU 518 CO 0.43 -0.39 -0.10 0.21 0.23 0.00 0.00 176.35 176.74 2wby s ASN 519 N -0.22 4.19 0.00 2.29 3.84 -1.26 -5.00 114.94 118.78 2wby s ASN 519 Ca 0.51 -0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.42 2wby s ASN 519 Cb -0.35 -1.67 0.70 0.00 -0.55 0.00 0.00 41.25 39.38 2wby s ASN 519 CO 0.42 0.12 1.52 0.61 -2.79 0.00 0.00 177.10 176.97 2wby n GLY 520 N 3.87 -1.04 0.00 1.21 0.00 -1.26 -2.00 105.19 105.96 2wby n GLY 520 Ca -0.18 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2wby n GLY 520 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wby n LYS 521 N -1.49 0.01 -3.86 1.61 4.76 -1.26 -4.77 118.16 113.16 2wby n LYS 521 Ca 0.04 0.05 -0.36 0.00 -2.87 0.00 0.00 58.31 55.18 2wby n LYS 521 Cb 0.19 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.75 2wby n LYS 521 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wby s PHE 522 N -2.99 3.09 0.08 2.13 2.99 -0.85 -4.57 117.98 117.86 2wby s PHE 522 Ca 0.13 -0.37 0.06 0.00 0.00 0.00 0.00 56.93 56.74 2wby s PHE 522 Cb 0.17 -2.19 -0.03 0.00 0.00 0.00 0.00 43.02 40.97 2wby s PHE 522 CO 0.47 -0.28 -0.15 0.15 -0.00 0.00 0.00 175.22 175.41 2wby s LYS 523 N 1.34 0.89 0.84 0.44 1.02 -0.82 -4.93 119.74 118.51 2wby s LYS 523 Ca 0.05 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.89 2wby s LYS 523 Cb -0.15 -0.92 0.09 0.00 -0.52 0.00 0.00 37.83 36.33 2wby s LYS 523 CO 0.03 0.20 1.09 1.28 -0.92 0.00 0.00 175.35 177.03 2wby n LEU 524 N 1.17 3.61 -4.58 3.17 4.32 -1.26 -4.39 117.00 119.03 2wby n LEU 524 Ca -0.20 0.53 -0.29 0.00 -0.02 0.00 0.00 56.01 56.03 2wby n LEU 524 Cb 0.54 -1.46 0.22 0.00 -1.62 0.00 0.00 43.42 41.10 2wby n LEU 524 CO 0.22 -2.03 0.59 -2.16 -1.22 0.00 0.00 177.39 172.79 2wby s PRO 525 N -4.10 -0.57 0.45 3.23 0.04 -1.26 -4.91 135.00 127.87 2wby s PRO 525 Ca 0.70 0.42 0.07 0.00 0.04 0.00 0.00 61.00 62.23 2wby s PRO 525 Cb -0.28 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2wby s PRO 525 CO 0.54 -3.38 0.26 0.95 0.04 0.00 0.00 177.00 175.41 2wby s THR 526 N -2.80 2.16 0.05 1.26 -4.23 -1.26 -5.04 115.64 105.78 2wby s THR 526 Ca 0.68 -1.59 -0.36 0.00 -1.18 0.00 0.00 61.69 59.23 2wby s THR 526 Cb -0.18 -2.76 -0.19 0.00 1.34 0.00 0.00 72.50 70.71 2wby s THR 526 CO 0.59 0.00 0.92 0.29 -0.54 0.00 0.00 174.62 175.88 2wby n LYS 527 N -1.43 0.00 -2.55 3.99 4.01 -1.26 -4.82 118.16 116.11 2wby n LYS 527 Ca -0.01 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.38 2wby n LYS 527 Cb 0.64 -1.35 -0.03 0.00 -0.51 0.00 0.00 35.03 33.78 2wby n LYS 527 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2wby s ASN 528 N -0.24 6.17 0.10 4.39 3.84 -1.26 -4.88 114.94 123.06 2wby s ASN 528 Ca 0.83 -0.49 0.15 0.00 0.21 0.00 0.00 52.86 53.55 2wby s ASN 528 Cb -1.16 -2.56 0.66 0.00 -0.55 0.00 0.00 41.25 37.64 2wby s ASN 528 CO 0.56 -1.83 1.47 -0.62 -2.79 0.00 0.00 177.10 173.89 2wby n GLU 529 N 9.35 0.07 0.00 0.43 -0.58 -1.26 -2.47 120.64 126.18 2wby n GLU 529 Ca 0.05 0.38 0.14 0.00 -0.42 0.00 0.00 57.16 57.31 2wby n GLU 529 Cb 0.49 -1.65 0.61 0.00 -0.57 0.00 0.00 31.44 30.33 2wby n GLU 529 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2wby n PHE 530 N -1.77 0.00 -1.68 -0.32 3.01 -1.26 -4.87 117.46 110.57 2wby n PHE 530 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 2wby n PHE 530 Cb 0.14 -0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 2wby n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wby n ILE 531 N -0.88 0.56 -2.38 4.37 5.41 -1.03 -4.82 119.36 120.59 2wby n ILE 531 Ca 0.15 -0.10 -0.34 0.00 1.00 0.00 0.00 62.75 63.46 2wby n ILE 531 Cb 0.28 -2.15 -0.02 0.00 -0.71 0.00 0.00 39.64 37.03 2wby n ILE 531 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wby s PRO 532 N 3.62 3.63 0.00 0.38 0.04 -1.26 -4.94 135.00 136.47 2wby s PRO 532 Ca 0.87 1.33 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2wby s PRO 532 Cb -0.50 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2wby s PRO 532 CO 0.42 -0.57 0.00 0.25 0.04 0.00 0.00 177.00 177.14 2wby n THR 533 N -1.29 0.00 -3.58 1.26 -2.24 -1.26 -5.01 114.28 102.15 2wby n THR 533 Ca 0.09 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.48 2wby n THR 533 Cb 0.52 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 2wby n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wby s ASN 534 N 0.00 5.85 -0.04 3.42 2.47 -1.26 -4.90 114.94 120.47 2wby s ASN 534 Ca 0.00 -0.45 0.08 0.00 0.42 0.00 0.00 52.86 52.91 2wby s ASN 534 Cb 0.00 -2.08 0.18 0.00 -1.45 0.00 0.00 41.25 37.90 2wby s ASN 534 CO 0.00 -0.21 1.13 0.49 -3.72 0.00 0.00 177.10 174.79 2wby n PHE 535 N 5.05 0.21 -1.77 0.43 3.01 -1.26 -4.42 117.46 118.70 2wby n PHE 535 Ca -0.13 -0.64 -0.42 0.00 1.01 0.00 0.00 57.45 57.28 2wby n PHE 535 Cb 0.50 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.86 2wby n PHE 535 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2wby s GLU 536 N -1.55 4.12 -0.48 -1.08 2.12 -1.26 -4.63 118.70 115.94 2wby s GLU 536 Ca 0.16 2.58 -0.22 0.00 0.36 0.00 0.00 54.97 57.86 2wby s GLU 536 Cb 0.12 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.51 2wby s GLU 536 CO 0.05 -0.66 0.74 0.42 -0.54 0.00 0.00 175.26 175.27 2wby s ILE 537 N 0.27 4.70 0.27 -3.70 -1.09 -1.26 -4.89 121.20 115.50 2wby s ILE 537 Ca 0.66 0.08 -0.29 0.00 -2.23 0.00 0.00 60.65 58.87 2wby s ILE 537 Cb -0.48 -4.33 -0.14 0.00 -1.58 0.00 0.00 42.46 35.94 2wby s ILE 537 CO 0.44 -0.78 1.21 0.18 -1.23 0.00 0.00 174.94 174.75 2wby n LEU 538 N 6.61 2.55 -4.76 2.97 4.77 -1.26 -4.92 117.00 122.95 2wby n LEU 538 Ca -0.01 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.77 2wby n LEU 538 Cb 0.47 -1.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.21 2wby n LEU 538 CO 0.57 -0.91 0.88 -2.16 -1.33 0.00 0.00 177.39 174.43 2wby s PRO 539 N -1.18 3.50 0.06 3.23 0.04 -1.26 -4.90 135.00 134.49 2wby s PRO 539 Ca 0.62 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 2wby s PRO 539 Cb -0.67 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 31.46 2wby s PRO 539 CO 0.57 -0.81 1.93 -0.11 0.04 0.00 0.00 177.00 178.62 2wby n LEU 540 N -0.76 4.10 -4.75 -3.56 7.94 -1.26 -4.94 117.00 113.76 2wby n LEU 540 Ca 0.09 0.93 -0.38 0.00 -1.11 0.00 0.00 56.01 55.55 2wby n LEU 540 Cb 0.47 -1.53 0.03 0.00 0.53 0.00 0.00 43.42 42.93 2wby n LEU 540 CO 0.49 0.18 0.93 -1.61 -1.11 0.00 0.00 177.39 176.27 2wby s GLU 541 N 3.85 3.20 0.25 1.96 2.02 -1.26 -4.93 118.70 123.78 2wby s GLU 541 Ca 0.87 2.08 -0.06 0.00 0.02 0.00 0.00 54.97 57.87 2wby s GLU 541 Cb -0.46 -2.21 0.45 0.00 0.10 0.00 0.00 34.13 32.01 2wby s GLU 541 CO 0.41 -1.10 1.65 1.57 0.02 0.00 0.00 175.26 177.81 2wby h LYS 542 N 1.43 0.13 -0.65 1.61 5.09 -2.05 -1.87 116.57 120.26 2wby h LYS 542 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.23 2wby h LYS 542 Cb 1.29 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.59 2wby h LYS 542 CO 0.57 0.09 0.00 -0.85 -2.09 0.00 0.00 179.45 177.17 2wby n GLU 543 N -5.30 2.28 -1.66 0.07 0.28 -1.26 -4.98 120.64 110.07 2wby n GLU 543 Ca 0.14 -1.21 -0.39 0.00 -0.16 0.00 0.00 57.16 55.54 2wby n GLU 543 Cb 0.48 -1.61 0.04 0.00 1.43 0.00 0.00 31.44 31.77 2wby n GLU 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wby n ALA 544 N 0.30 0.68 -2.53 -1.84 0.00 -0.71 -5.03 120.51 111.37 2wby n ALA 544 Ca 0.11 0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.45 2wby n ALA 544 Cb 0.50 -2.19 -0.12 0.00 0.00 0.00 0.00 19.45 17.65 2wby n ALA 544 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wby s THR 545 N -1.37 1.51 0.25 0.00 -4.23 -1.26 -5.05 115.64 105.49 2wby s THR 545 Ca 0.71 -1.65 0.11 0.00 -1.18 0.00 0.00 61.69 59.68 2wby s THR 545 Cb -0.45 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 2wby s THR 545 CO 0.50 -0.27 1.60 1.55 -0.54 0.00 0.00 174.62 177.47 2wby h PRO 546 N 3.73 0.00 -6.16 3.99 0.13 -1.96 -3.45 132.00 128.29 2wby h PRO 546 Ca -0.42 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.16 2wby h PRO 546 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 2wby h PRO 546 CO 0.46 0.62 -0.60 0.71 -0.23 0.00 0.00 178.00 178.96 2wby s TYR 547 N -3.54 2.71 0.48 1.56 2.02 -1.26 -5.06 117.35 114.26 2wby s TYR 547 Ca -0.01 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.18 2wby s TYR 547 Cb 0.12 -1.37 -0.08 0.00 -0.40 0.00 0.00 41.96 40.24 2wby s TYR 547 CO 0.76 0.52 1.19 -2.30 -1.57 0.00 0.00 175.55 174.15 2wby n PRO 548 N -1.00 1.61 -4.30 -1.71 -0.02 -1.26 -4.83 135.00 123.50 2wby n PRO 548 Ca -0.05 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 2wby n PRO 548 Cb 0.60 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 2wby n PRO 548 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wby s ALA 549 N -1.28 2.97 -0.54 3.55 0.00 0.81 -4.80 121.76 122.47 2wby s ALA 549 Ca 0.66 -1.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.18 2wby s ALA 549 Cb -0.48 -0.95 0.04 0.00 0.00 0.00 0.00 23.12 21.72 2wby s ALA 549 CO 0.54 0.64 0.99 -1.17 0.00 0.00 0.00 175.76 176.75 2wby s LEU 550 N -2.00 3.96 0.00 0.00 2.96 -1.26 -0.82 118.68 121.52 2wby s LEU 550 Ca 0.20 -0.18 0.14 0.00 -0.22 0.00 0.00 54.13 54.07 2wby s LEU 550 Cb -0.11 -2.96 0.34 0.00 0.50 0.00 0.00 46.19 43.95 2wby s LEU 550 CO 0.12 -1.24 1.26 2.30 -1.32 0.00 0.00 176.35 177.47 2wby n ILE 551 N 6.33 0.82 -3.63 6.68 -5.35 0.53 -4.90 119.36 119.85 2wby n ILE 551 Ca 0.04 -0.91 -0.04 0.00 -0.27 0.00 0.00 62.75 61.57 2wby n ILE 551 Cb 0.48 0.64 -0.06 0.00 -1.74 0.00 0.00 39.64 38.96 2wby n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2wby s LYS 552 N -1.03 0.52 -0.41 6.28 2.20 -1.23 -4.96 119.74 121.10 2wby s LYS 552 Ca 0.27 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.85 2wby s LYS 552 Cb 0.15 0.17 0.17 0.00 -1.51 0.00 0.00 37.83 36.81 2wby s LYS 552 CO 0.20 -0.12 0.33 0.34 -0.36 0.00 0.00 175.35 175.74 2wby s ASP 553 N 1.63 1.66 0.49 1.43 2.15 -1.25 -1.14 116.67 121.64 2wby s ASP 553 Ca -0.09 -2.97 0.02 0.00 0.43 0.00 0.00 52.55 49.94 2wby s ASP 553 Cb -0.05 -0.45 -0.02 0.00 -0.30 0.00 0.00 42.92 42.10 2wby s ASP 553 CO -0.17 -0.19 0.01 0.42 -0.17 0.00 0.00 175.17 175.07 2wby s THR 554 N 0.16 1.21 0.19 1.71 -4.23 0.29 -4.99 115.64 109.97 2wby s THR 554 Ca 0.31 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 2wby s THR 554 Cb 0.00 -2.26 0.10 0.00 1.34 0.00 0.00 72.50 71.69 2wby s THR 554 CO -0.17 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.66 2wby h ALA 555 N 1.42 0.86 -0.11 3.99 0.00 -1.99 -2.71 119.26 120.71 2wby h ALA 555 Ca -0.43 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 2wby h ALA 555 Cb 1.31 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wby h ALA 555 CO 0.74 0.45 -0.70 1.98 0.00 0.00 0.00 179.25 181.72 2wby h MET 556 N 0.93 0.50 -2.36 0.00 1.85 -1.91 -3.40 114.93 110.52 2wby h MET 556 Ca 0.22 -0.39 -0.08 0.00 -0.61 0.00 0.00 59.70 58.85 2wby h MET 556 Cb 0.18 0.07 -0.22 0.00 0.43 0.00 0.00 31.60 32.06 2wby h MET 556 CO -0.02 1.01 -0.03 -1.54 -0.40 0.00 0.00 176.91 175.93 2wby s SER 557 N -6.98 -0.57 -0.21 1.39 1.04 -1.02 -0.65 113.70 106.69 2wby s SER 557 Ca -0.07 1.02 -0.02 0.00 0.48 0.00 0.00 55.95 57.36 2wby s SER 557 Cb 0.10 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.25 2wby s SER 557 CO 0.85 -0.27 -0.09 -0.54 0.98 0.00 0.00 173.24 174.18 2wby s LYS 558 N -0.00 3.25 -0.34 4.02 1.02 0.77 -0.55 119.74 127.90 2wby s LYS 558 Ca -0.02 -0.70 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 2wby s LYS 558 Cb -0.04 -2.89 0.06 0.00 -0.52 0.00 0.00 37.83 34.44 2wby s LYS 558 CO 0.02 -0.21 0.10 -1.17 -0.92 0.00 0.00 175.35 173.17 2wby s LEU 559 N 1.42 4.38 -0.08 3.17 2.96 -0.30 -1.04 118.68 129.19 2wby s LEU 559 Ca 0.05 -1.34 -0.15 0.00 -0.22 0.00 0.00 54.13 52.47 2wby s LEU 559 Cb -0.14 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 2wby s LEU 559 CO -0.06 -0.35 0.39 0.26 -1.32 0.00 0.00 176.35 175.27 2wby s TRP 560 N 1.32 3.59 -0.01 5.38 0.52 0.83 -0.35 118.94 130.22 2wby s TRP 560 Ca -0.01 0.85 -0.00 0.00 0.02 0.00 0.00 56.10 56.95 2wby s TRP 560 Cb -0.20 -2.37 0.01 0.00 -1.15 0.00 0.00 33.47 29.75 2wby s TRP 560 CO 0.00 0.40 0.02 0.12 0.02 0.00 0.00 176.95 177.51 2wby s PHE 561 N -0.18 -0.01 -0.12 -1.98 5.36 0.00 -1.09 117.98 119.96 2wby s PHE 561 Ca 0.22 0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 56.20 2wby s PHE 561 Cb -0.15 -0.04 0.06 0.00 -0.34 0.00 0.00 43.02 42.54 2wby s PHE 561 CO 0.10 -0.02 0.26 0.21 -1.46 0.00 0.00 175.22 174.30 2wby s LYS 562 N 0.23 0.16 0.13 10.12 2.20 -0.77 -0.13 119.74 131.68 2wby s LYS 562 Ca -0.02 0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 2wby s LYS 562 Cb -0.03 -0.07 -0.07 0.00 -1.51 0.00 0.00 37.83 36.16 2wby s LYS 562 CO -0.01 -0.25 1.15 -1.14 -0.36 0.00 0.00 175.35 174.75 2wby s GLN 563 N 2.04 4.51 0.14 4.03 0.74 -1.26 -2.73 119.66 127.13 2wby s GLN 563 Ca -0.02 1.76 -0.32 0.00 0.05 0.00 0.00 55.36 56.83 2wby s GLN 563 Cb -0.11 -3.30 -0.11 0.00 1.10 0.00 0.00 33.01 30.58 2wby s GLN 563 CO -0.08 -0.09 1.79 -3.47 -0.55 0.00 0.00 175.29 172.89 2wby n ASP 564 N 3.02 3.95 -0.73 6.67 2.03 0.12 -4.86 116.55 126.75 2wby n ASP 564 Ca 0.05 1.01 0.06 0.00 0.52 0.00 0.00 54.79 56.43 2wby n ASP 564 Cb 0.46 -1.54 0.16 0.00 -0.72 0.00 0.00 41.12 39.49 2wby n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wby n ASP 565 N 5.10 1.59 0.00 1.67 3.85 -1.26 -4.82 116.55 122.68 2wby n ASP 565 Ca 0.18 -3.45 0.00 0.00 -0.71 0.00 0.00 54.79 50.80 2wby n ASP 565 Cb 0.36 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.66 2wby n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2wby n LYS 566 N -0.81 0.00 0.14 0.11 5.02 -1.26 -4.99 118.16 116.36 2wby n LYS 566 Ca 0.16 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.21 2wby n LYS 566 Cb 0.77 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.63 2wby n LYS 566 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2wby h PHE 567 N 0.00 0.90 -1.77 2.13 -1.00 -1.97 -3.48 116.94 111.76 2wby h PHE 567 Ca 0.00 -0.66 -0.34 0.00 2.81 0.00 0.00 57.97 59.78 2wby h PHE 567 Cb 0.00 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.46 2wby h PHE 567 CO 0.00 1.54 -0.38 1.19 -1.61 0.00 0.00 178.31 179.05 2wby n PHE 568 N -3.68 -0.49 -3.44 -0.55 3.01 -1.26 -5.02 117.46 106.03 2wby n PHE 568 Ca -0.17 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.99 2wby n PHE 568 Cb 1.10 -3.18 -0.04 0.00 -0.01 0.00 0.00 39.48 37.34 2wby n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2wby s LEU 569 N -4.41 4.14 -1.42 4.37 1.43 -1.26 -4.92 118.68 116.61 2wby s LEU 569 Ca 0.00 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 53.73 2wby s LEU 569 Cb 0.00 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.75 2wby s LEU 569 CO 0.00 -0.10 2.19 -0.81 0.23 0.00 0.00 176.35 177.86 2wby n PRO 570 N -0.44 3.09 -4.15 1.29 -0.04 -1.26 -4.57 135.00 128.93 2wby n PRO 570 Ca -0.01 -2.81 -0.10 0.00 -0.04 0.00 0.00 63.50 60.55 2wby n PRO 570 Cb 0.53 -3.17 -0.10 0.00 -0.04 0.00 0.00 33.50 30.72 2wby n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wby s LYS 571 N 2.44 0.86 0.11 0.54 1.02 -1.26 -2.61 119.74 120.83 2wby s LYS 571 Ca 0.46 -1.38 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 2wby s LYS 571 Cb 0.13 0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 2wby s LYS 571 CO -0.07 -0.17 0.28 0.00 -0.92 0.00 0.00 175.35 174.47 2wby s ALA 572 N -3.89 -0.48 -0.13 5.17 0.00 0.12 -0.60 121.76 121.95 2wby s ALA 572 Ca 0.18 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.73 2wby s ALA 572 Cb 0.07 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 2wby s ALA 572 CO -0.02 -0.57 -0.18 -0.80 0.00 0.00 0.00 175.76 174.19 2wby s ASN 573 N -2.85 3.52 -0.26 0.00 0.01 0.36 -2.37 114.94 113.35 2wby s ASN 573 Ca 0.05 -0.48 0.02 0.00 -0.71 0.00 0.00 52.86 51.75 2wby s ASN 573 Cb 0.04 -1.52 0.06 0.00 0.41 0.00 0.00 41.25 40.24 2wby s ASN 573 CO -0.11 0.13 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.78 2wby s LEU 574 N 0.56 3.28 -0.06 0.60 1.43 -0.20 -1.16 118.68 123.13 2wby s LEU 574 Ca -0.11 -1.41 0.02 0.00 -1.03 0.00 0.00 54.13 51.60 2wby s LEU 574 Cb -0.16 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2wby s LEU 574 CO 0.04 -0.23 -0.11 0.20 0.23 0.00 0.00 176.35 176.48 2wby s ASN 575 N 1.18 4.29 -0.05 2.29 0.02 -0.18 -0.89 114.94 121.61 2wby s ASN 575 Ca -0.06 -0.13 -0.00 0.00 -1.02 0.00 0.00 52.86 51.65 2wby s ASN 575 Cb -0.19 -1.03 0.03 0.00 0.02 0.00 0.00 41.25 40.07 2wby s ASN 575 CO -0.06 0.34 -0.00 -0.36 0.02 0.00 0.00 177.10 177.04 2wby s PHE 576 N -0.69 0.48 -0.23 2.20 0.40 0.03 -1.01 117.98 119.16 2wby s PHE 576 Ca 0.10 -0.06 -0.16 0.00 -0.60 0.00 0.00 56.93 56.21 2wby s PHE 576 Cb -0.11 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.80 2wby s PHE 576 CO 0.01 -0.21 0.40 -1.21 0.70 0.00 0.00 175.22 174.91 2wby s GLU 577 N 1.40 4.12 -0.36 0.44 0.41 0.68 -1.56 118.70 123.83 2wby s GLU 577 Ca -0.04 0.16 -0.18 0.00 -0.41 0.00 0.00 54.97 54.50 2wby s GLU 577 Cb -0.13 -3.58 -0.00 0.00 -1.78 0.00 0.00 34.13 28.64 2wby s GLU 577 CO -0.03 -0.13 0.48 -0.06 -0.49 0.00 0.00 175.26 175.03 2wby s PHE 578 N 1.62 3.18 -0.08 1.61 0.40 0.01 -0.68 117.98 124.04 2wby s PHE 578 Ca 0.18 0.06 -0.20 0.00 -0.60 0.00 0.00 56.93 56.38 2wby s PHE 578 Cb -0.15 -2.90 -0.04 0.00 0.51 0.00 0.00 43.02 40.44 2wby s PHE 578 CO 0.08 -0.55 0.55 -0.06 0.70 0.00 0.00 175.22 175.94 2wby s PHE 579 N 2.32 3.57 -0.17 0.36 0.40 0.14 -1.49 117.98 123.10 2wby s PHE 579 Ca 0.17 1.04 -0.10 0.00 -0.60 0.00 0.00 56.93 57.44 2wby s PHE 579 Cb -0.16 -2.62 0.06 0.00 0.51 0.00 0.00 43.02 40.81 2wby s PHE 579 CO 0.13 0.20 0.41 0.45 0.70 0.00 0.00 175.22 177.11 2wby s SER 580 N 0.47 -0.52 0.52 1.36 0.15 -0.36 -2.98 113.70 112.35 2wby s SER 580 Ca 0.30 0.90 0.18 0.00 0.70 0.00 0.00 55.95 58.02 2wby s SER 580 Cb -0.16 0.78 1.30 0.00 -1.71 0.00 0.00 66.02 66.23 2wby s SER 580 CO 0.14 -0.19 2.12 1.55 1.20 0.00 0.00 173.24 178.06 2wby h PRO 581 N 7.04 0.00 0.00 5.44 0.13 -1.87 -2.72 132.00 140.02 2wby h PRO 581 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2wby h PRO 581 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wby h PRO 581 CO 0.29 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.25 2wby n PHE 582 N -4.49 0.00 0.44 1.56 3.01 -1.26 -1.98 117.46 114.74 2wby n PHE 582 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.58 2wby n PHE 582 Cb 0.18 -0.31 0.41 0.00 -0.01 0.00 0.00 39.48 39.75 2wby n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wby h ALA 583 N 2.94 1.00 0.00 4.37 0.00 -1.79 -3.39 119.26 122.39 2wby h ALA 583 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wby h ALA 583 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wby h ALA 583 CO 0.00 0.00 -0.04 0.98 0.00 0.00 0.00 179.25 180.19 2wby n TYR 584 N -2.54 0.00 -0.28 0.00 4.19 -1.09 -3.24 117.16 114.20 2wby n TYR 584 Ca 0.04 0.00 0.04 0.00 3.31 0.00 0.00 57.90 61.28 2wby n TYR 584 Cb 0.39 0.05 0.17 0.00 0.49 0.00 0.00 39.34 40.44 2wby n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2wby h VAL 585 N 3.41 0.84 -4.15 2.97 3.04 -1.59 -3.45 116.25 117.33 2wby h VAL 585 Ca 0.00 -0.24 -0.21 0.00 -1.01 0.00 0.00 66.70 65.25 2wby h VAL 585 Cb 1.03 0.09 -0.11 0.00 -2.01 0.00 0.00 31.29 30.30 2wby h VAL 585 CO 0.00 0.13 -0.31 1.51 -1.01 0.00 0.00 177.57 177.89 2wby s ASP 586 N -5.53 0.43 0.33 3.17 1.47 -1.26 -5.02 116.67 110.26 2wby s ASP 586 Ca -0.12 -1.30 0.06 0.00 1.18 0.00 0.00 52.55 52.37 2wby s ASP 586 Cb 0.20 0.55 0.72 0.00 -0.34 0.00 0.00 42.92 44.05 2wby s ASP 586 CO 0.78 -1.11 1.85 -0.65 0.68 0.00 0.00 175.17 176.72 2wby h PRO 587 N 2.30 0.78 -0.61 2.11 0.11 -1.92 -1.21 132.00 133.56 2wby h PRO 587 Ca -0.29 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 2wby h PRO 587 Cb 1.25 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2wby h PRO 587 CO 0.41 0.52 0.25 1.25 -0.21 0.00 0.00 178.00 180.22 2wby h LEU 588 N 0.80 0.83 -0.44 2.35 5.85 -1.91 -0.01 115.31 122.79 2wby h LEU 588 Ca 0.47 -0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.85 2wby h LEU 588 Cb 0.64 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2wby h LEU 588 CO -0.24 0.76 -0.63 0.45 -0.34 0.00 0.00 178.44 178.45 2wby h HIS 589 N 0.84 0.69 -0.58 1.25 3.86 -1.68 -1.55 115.15 117.99 2wby h HIS 589 Ca 0.20 -0.27 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 2wby h HIS 589 Cb 0.19 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 2wby h HIS 589 CO 0.01 1.02 0.27 1.03 0.86 0.00 0.00 177.93 181.12 2wby h SER 590 N 0.39 0.77 -0.41 2.45 0.87 -0.96 0.24 113.55 116.90 2wby h SER 590 Ca -0.01 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2wby h SER 590 Cb 1.20 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 2wby h SER 590 CO 0.12 0.70 0.24 0.78 -0.53 0.00 0.00 176.83 178.14 2wby h ASN 591 N 0.79 0.52 0.08 6.23 2.35 -0.64 -2.05 115.58 122.85 2wby h ASN 591 Ca 0.20 -0.03 -0.25 0.00 -0.55 0.00 0.00 56.30 55.66 2wby h ASN 591 Cb 0.14 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.41 2wby h ASN 591 CO -0.02 0.41 -1.04 0.24 -1.65 0.00 0.00 177.43 175.37 2wby h MET 592 N 0.60 0.57 -0.61 0.81 2.86 -0.16 -0.43 114.93 118.57 2wby h MET 592 Ca 0.16 -0.71 0.09 0.00 -2.06 0.00 0.00 59.70 57.17 2wby h MET 592 Cb 0.01 0.23 -0.07 0.00 0.06 0.00 0.00 31.60 31.82 2wby h MET 592 CO -0.03 1.31 0.23 0.00 1.06 0.00 0.00 176.91 179.48 2wby h ALA 593 N 0.29 0.78 0.24 6.32 0.00 -0.37 0.26 119.26 126.79 2wby h ALA 593 Ca -0.15 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wby h ALA 593 Cb 1.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2wby h ALA 593 CO 0.20 -0.19 -0.12 -0.92 0.00 0.00 0.00 179.25 178.22 2wby h TYR 594 N 0.41 -0.30 -0.95 0.00 3.20 -1.24 -2.29 116.97 115.79 2wby h TYR 594 Ca 0.31 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.18 2wby h TYR 594 Cb 0.38 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 2wby h TYR 594 CO -0.17 0.02 0.63 -0.07 -1.64 0.00 0.00 178.16 176.93 2wby h LEU 595 N -0.64 1.09 -0.24 2.82 4.07 -0.51 -0.73 115.31 121.17 2wby h LEU 595 Ca -0.03 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 57.96 2wby h LEU 595 Cb 0.45 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.85 2wby h LEU 595 CO 0.05 0.78 -0.29 0.22 -1.08 0.00 0.00 178.44 178.13 2wby h TYR 596 N 1.28 -0.80 -0.15 1.13 3.20 -0.41 0.13 116.97 121.36 2wby h TYR 596 Ca 0.35 0.04 -0.17 0.00 3.14 0.00 0.00 58.73 62.10 2wby h TYR 596 Cb -0.13 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2wby h TYR 596 CO -0.00 -0.37 -0.60 -0.07 -1.64 0.00 0.00 178.16 175.48 2wby h LEU 597 N -0.31 0.57 -1.02 2.82 4.07 -0.70 0.14 115.31 120.87 2wby h LEU 597 Ca 0.13 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.78 2wby h LEU 597 Cb 0.51 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 2wby h LEU 597 CO -0.41 1.04 0.66 -0.33 -1.08 0.00 0.00 178.44 178.32 2wby h GLU 598 N 0.37 1.30 -0.46 1.13 4.39 -0.91 -1.24 114.58 119.17 2wby h GLU 598 Ca -0.00 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 2wby h GLU 598 Cb 1.15 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2wby h GLU 598 CO 0.11 0.86 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.64 2wby h LEU 599 N 1.34 0.82 -0.14 1.33 3.38 -0.01 0.46 115.31 122.49 2wby h LEU 599 Ca 0.37 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2wby h LEU 599 Cb -0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 2wby h LEU 599 CO -0.09 0.95 -0.02 0.25 0.09 0.00 0.00 178.44 179.62 2wby h LEU 600 N 0.75 0.26 -0.69 1.67 5.85 -0.51 -0.07 115.31 122.57 2wby h LEU 600 Ca 0.12 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2wby h LEU 600 Cb 0.61 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2wby h LEU 600 CO 0.04 0.54 0.32 0.11 -0.34 0.00 0.00 178.44 179.11 2wby h LYS 601 N -0.02 1.00 -0.48 1.25 1.57 -1.15 0.13 116.57 118.87 2wby h LYS 601 Ca 0.04 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2wby h LYS 601 Cb 0.41 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2wby h LYS 601 CO 0.01 0.80 0.32 0.22 -0.57 0.00 0.00 179.45 180.23 2wby h ASP 602 N 0.96 0.50 0.74 0.86 1.82 -0.70 -1.44 116.42 119.17 2wby h ASP 602 Ca 0.24 -0.01 -0.25 0.00 -0.39 0.00 0.00 57.03 56.61 2wby h ASP 602 Cb 0.14 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 2wby h ASP 602 CO -0.03 0.35 -1.29 -1.28 -1.61 0.00 0.00 179.24 175.39 2wby h SER 603 N 0.59 0.12 1.00 2.28 0.87 0.33 -3.20 113.55 115.54 2wby h SER 603 Ca 0.19 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2wby h SER 603 Cb 0.02 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2wby h SER 603 CO -0.04 1.12 0.00 0.18 -0.53 0.00 0.00 176.83 177.56 2wby n LEU 604 N -3.32 0.43 -0.03 2.23 4.77 0.34 -4.46 117.00 116.95 2wby n LEU 604 Ca -0.08 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 2wby n LEU 604 Cb 0.99 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2wby n LEU 604 CO 0.48 -0.24 0.89 -1.13 -1.33 0.00 0.00 177.39 176.06 2wby h ASN 605 N 0.00 0.02 -0.99 -1.43 -0.73 -1.27 0.21 115.58 111.38 2wby h ASN 605 Ca 0.00 0.02 0.19 0.00 1.87 0.00 0.00 56.30 58.39 2wby h ASN 605 Cb 0.50 0.03 -0.10 0.00 0.27 0.00 0.00 38.32 39.02 2wby h ASN 605 CO 0.00 0.04 0.61 -0.33 -0.37 0.00 0.00 177.43 177.38 2wby h GLU 606 N 0.11 0.66 0.12 6.67 5.08 -1.78 -1.68 114.58 123.76 2wby h GLU 606 Ca 0.08 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 2wby h GLU 606 Cb 0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2wby h GLU 606 CO -0.10 0.44 -1.57 -0.92 -1.00 0.00 0.00 179.01 175.87 2wby h TYR 607 N 0.68 0.45 0.00 4.33 3.20 -1.16 -3.34 116.97 121.14 2wby h TYR 607 Ca 0.56 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2wby h TYR 607 Cb 0.97 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2wby h TYR 607 CO -0.00 1.40 0.00 0.00 -1.64 0.00 0.00 178.16 177.92 2wby h ALA 608 N 0.47 1.00 -0.54 1.82 0.00 -0.16 -3.27 119.26 118.59 2wby h ALA 608 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 2wby h ALA 608 Cb 2.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2wby h ALA 608 CO 0.16 0.00 -0.08 -0.92 0.00 0.00 0.00 179.25 178.40 2wby h TYR 609 N 0.00 1.12 -0.74 0.00 3.20 -1.45 -0.96 116.97 118.13 2wby h TYR 609 Ca 0.00 -0.23 0.06 0.00 3.14 0.00 0.00 58.73 61.70 2wby h TYR 609 Cb 0.68 -0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 2wby h TYR 609 CO 0.00 1.04 0.44 0.00 -1.64 0.00 0.00 178.16 178.00 2wby h ALA 610 N 0.93 1.01 -0.56 1.82 0.00 -1.78 -0.27 119.26 120.40 2wby h ALA 610 Ca 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2wby h ALA 610 Cb 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wby h ALA 610 CO 0.04 0.14 0.02 0.00 0.00 0.00 0.00 179.25 179.46 2wby h ALA 611 N 1.37 0.76 -0.45 0.00 0.00 -1.49 -0.46 119.26 118.98 2wby h ALA 611 Ca 0.33 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2wby h ALA 611 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2wby h ALA 611 CO -0.17 0.57 0.07 1.49 0.00 0.00 0.00 179.25 181.20 2wby h GLU 612 N 0.87 0.75 -0.63 0.00 4.81 -0.68 0.14 114.58 119.84 2wby h GLU 612 Ca 0.16 -0.21 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2wby h GLU 612 Cb 0.52 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2wby h GLU 612 CO 0.02 0.78 0.42 -0.07 -0.73 0.00 0.00 179.01 179.43 2wby h LEU 613 N 0.62 0.39 -2.64 1.64 3.38 -0.65 -0.93 115.31 117.12 2wby h LEU 613 Ca 0.14 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2wby h LEU 613 Cb 0.39 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2wby h LEU 613 CO 0.01 0.23 0.14 0.00 0.09 0.00 0.00 178.44 178.91 2wby n ALA 614 N -2.51 3.60 -2.19 1.53 0.00 0.05 -4.86 120.51 116.12 2wby n ALA 614 Ca 0.10 -1.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.21 2wby n ALA 614 Cb 0.39 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 2wby n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wby n GLY 615 N 0.06 -0.07 2.90 0.00 0.00 -0.35 -4.59 105.19 103.14 2wby n GLY 615 Ca 0.21 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2wby n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wby s LEU 616 N -3.26 2.69 0.38 0.99 0.20 0.26 -2.76 118.68 117.18 2wby s LEU 616 Ca 0.00 -1.34 0.04 0.00 0.69 0.00 0.00 54.13 53.51 2wby s LEU 616 Cb 0.00 -1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 44.57 2wby s LEU 616 CO 0.00 -0.29 0.09 -0.94 -0.29 0.00 0.00 176.35 174.92 2wby s SER 617 N 1.40 2.68 0.08 3.68 1.04 0.13 -2.35 113.70 120.37 2wby s SER 617 Ca -0.01 -1.53 -0.15 0.00 0.48 0.00 0.00 55.95 54.74 2wby s SER 617 Cb -0.18 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.19 2wby s SER 617 CO -0.09 -0.77 0.35 -0.72 0.98 0.00 0.00 173.24 172.98 2wby s TYR 618 N -3.23 -0.15 -0.02 5.02 -0.85 -1.26 -1.45 117.35 115.41 2wby s TYR 618 Ca 0.28 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.76 2wby s TYR 618 Cb 0.05 0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.59 2wby s TYR 618 CO 0.14 -0.60 0.02 0.34 -1.52 0.00 0.00 175.55 173.93 2wby s ASP 619 N -2.45 0.19 -0.10 -0.18 2.15 -0.10 -4.98 116.67 111.20 2wby s ASP 619 Ca -0.01 0.02 -0.03 0.00 0.43 0.00 0.00 52.55 52.96 2wby s ASP 619 Cb 0.01 -0.12 0.05 0.00 -0.30 0.00 0.00 42.92 42.56 2wby s ASP 619 CO -0.08 -0.12 0.11 -0.22 -0.17 0.00 0.00 175.17 174.70 2wby s LEU 620 N 1.05 0.09 0.11 -1.34 2.96 -1.26 -0.63 118.68 119.66 2wby s LEU 620 Ca -0.09 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 2wby s LEU 620 Cb -0.13 0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.59 2wby s LEU 620 CO -0.03 -0.28 0.31 0.00 -1.32 0.00 0.00 176.35 175.04 2wby s GLN 621 N 2.22 0.97 0.19 1.98 -2.07 0.01 -4.92 119.66 118.03 2wby s GLN 621 Ca 0.04 -0.81 -0.19 0.00 -1.82 0.00 0.00 55.36 52.58 2wby s GLN 621 Cb -0.13 0.41 -0.08 0.00 -1.09 0.00 0.00 33.01 32.12 2wby s GLN 621 CO -0.06 -0.35 0.67 0.54 -1.32 0.00 0.00 175.29 174.77 2wby s ASN 622 N -2.82 7.03 0.38 12.60 2.20 -1.26 -0.67 114.94 132.39 2wby s ASN 622 Ca 0.04 1.34 0.04 0.00 -0.94 0.00 0.00 52.86 53.33 2wby s ASN 622 Cb 0.03 -2.39 -0.04 0.00 -2.00 0.00 0.00 41.25 36.85 2wby s ASN 622 CO -0.12 0.08 0.09 0.42 -2.94 0.00 0.00 177.10 174.63 2wby s THR 623 N -1.45 0.89 -1.28 0.54 -4.23 0.18 -4.89 115.64 105.40 2wby s THR 623 Ca 0.40 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.06 2wby s THR 623 Cb -0.17 -2.53 0.21 0.00 1.34 0.00 0.00 72.50 71.35 2wby s THR 623 CO 0.21 0.00 1.43 2.30 -0.54 0.00 0.00 174.62 178.02 2wby n ILE 624 N -0.83 0.73 0.37 2.99 -5.35 -1.26 -2.53 119.36 113.48 2wby n ILE 624 Ca -0.05 0.18 0.04 0.00 -0.27 0.00 0.00 62.75 62.66 2wby n ILE 624 Cb 0.66 -0.94 0.03 0.00 -1.74 0.00 0.00 39.64 37.66 2wby n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2wby n TYR 625 N -1.36 0.00 0.00 4.28 4.02 -1.26 -4.56 117.16 118.27 2wby n TYR 625 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2wby n TYR 625 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2wby n TYR 625 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wby n GLY 626 N 0.53 0.57 3.09 2.72 0.00 -1.05 -1.22 105.19 109.83 2wby n GLY 626 Ca 0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 2wby n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wby s MET 627 N 0.00 0.60 -0.06 1.61 -1.94 -0.56 -0.64 119.30 118.32 2wby s MET 627 Ca 0.00 -0.92 0.03 0.00 -1.71 0.00 0.00 55.69 53.08 2wby s MET 627 Cb 0.00 -0.23 0.01 0.00 2.01 0.00 0.00 34.83 36.62 2wby s MET 627 CO 0.00 0.02 -0.13 -0.47 -0.01 0.00 0.00 175.02 174.44 2wby s TYR 628 N -2.08 1.42 -0.06 -0.03 5.04 0.15 -0.81 117.35 120.99 2wby s TYR 628 Ca -0.04 -0.48 0.01 0.00 -2.44 0.00 0.00 57.07 54.12 2wby s TYR 628 Cb -0.05 -1.03 0.02 0.00 0.35 0.00 0.00 41.96 41.25 2wby s TYR 628 CO -0.01 -0.23 -0.08 -1.17 -1.34 0.00 0.00 175.55 172.72 2wby s LEU 629 N 0.49 1.43 -0.07 6.97 0.20 -0.60 -0.81 118.68 126.28 2wby s LEU 629 Ca -0.11 -0.21 0.01 0.00 0.69 0.00 0.00 54.13 54.51 2wby s LEU 629 Cb -0.14 -0.64 0.02 0.00 -0.43 0.00 0.00 46.19 45.00 2wby s LEU 629 CO 0.03 -0.03 -0.07 -0.55 -0.29 0.00 0.00 176.35 175.44 2wby s SER 630 N 0.90 1.53 -0.18 3.68 0.15 0.20 -0.79 113.70 119.19 2wby s SER 630 Ca -0.11 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 2wby s SER 630 Cb -0.15 -0.66 -0.00 0.00 -1.71 0.00 0.00 66.02 63.50 2wby s SER 630 CO 0.01 -0.05 -0.12 -0.69 1.20 0.00 0.00 173.24 173.59 2wby s VAL 631 N 1.07 2.84 0.19 4.45 1.01 -0.07 -0.93 120.40 128.96 2wby s VAL 631 Ca -0.08 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2wby s VAL 631 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 2wby s VAL 631 CO -0.01 0.49 -0.09 -0.54 0.00 0.00 0.00 175.10 174.95 2wby s LYS 632 N 1.10 1.22 0.00 2.72 1.02 -0.53 -1.03 119.74 124.25 2wby s LYS 632 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.44 2wby s LYS 632 Cb -0.14 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.36 2wby s LYS 632 CO -0.03 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 2wby n GLY 633 N -0.32 0.51 3.71 -3.33 0.00 -1.00 -0.69 105.19 104.07 2wby n GLY 633 Ca -0.08 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 2wby n GLY 633 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wby n TYR 634 N 2.81 2.52 1.09 1.61 4.01 -1.11 0.11 117.16 128.19 2wby n TYR 634 Ca 0.00 0.30 0.13 0.00 -0.16 0.00 0.00 57.90 58.17 2wby n TYR 634 Cb 0.00 -2.55 0.49 0.00 -0.31 0.00 0.00 39.34 36.97 2wby n TYR 634 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2wby n ASN 635 N 2.52 0.27 -0.42 7.72 6.94 -1.07 -4.13 115.26 127.09 2wby n ASN 635 Ca 0.12 0.02 0.36 0.00 -0.02 0.00 0.00 54.58 55.06 2wby n ASN 635 Cb 0.34 -0.15 0.69 0.00 -2.36 0.00 0.00 39.78 38.30 2wby n ASN 635 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2wby h ASP 636 N 0.11 0.14 0.00 0.53 -0.00 -1.82 -3.24 116.42 112.15 2wby h ASP 636 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 2wby h ASP 636 Cb 0.47 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.83 2wby h ASP 636 CO 0.00 -0.02 0.00 0.29 -0.00 0.00 0.00 179.24 179.51 2wby n LYS 637 N -4.33 0.25 -0.19 0.28 4.76 -1.26 -4.85 118.16 112.81 2wby n LYS 637 Ca 0.31 -0.47 -0.10 0.00 -2.87 0.00 0.00 58.31 55.18 2wby n LYS 637 Cb 1.35 -0.57 0.02 0.00 -1.84 0.00 0.00 35.03 33.98 2wby n LYS 637 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2wby h GLN 638 N 0.00 1.02 0.00 1.97 4.15 -1.72 -1.91 115.11 118.62 2wby h GLN 638 Ca 0.00 -0.34 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 2wby h GLN 638 Cb 0.78 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 2wby h GLN 638 CO 0.00 1.03 -0.08 -1.35 -1.93 0.00 0.00 178.83 176.50 2wby h PRO 639 N 0.90 0.00 -0.27 -2.39 0.11 -1.89 -1.53 132.00 126.94 2wby h PRO 639 Ca 0.15 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 2wby h PRO 639 Cb 0.60 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 2wby h PRO 639 CO 0.04 0.08 -0.28 0.82 -0.21 0.00 0.00 178.00 178.45 2wby h ILE 640 N 0.00 1.31 -0.51 4.15 2.04 -1.73 -1.63 117.51 121.14 2wby h ILE 640 Ca -0.00 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 2wby h ILE 640 Cb 0.20 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2wby h ILE 640 CO 0.01 0.46 0.05 0.25 0.00 0.00 0.00 178.15 178.92 2wby h LEU 641 N 0.38 0.84 -0.31 1.44 5.85 -1.24 -1.35 115.31 120.91 2wby h LEU 641 Ca 0.04 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2wby h LEU 641 Cb 0.84 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2wby h LEU 641 CO 0.07 0.91 0.16 0.25 -0.34 0.00 0.00 178.44 179.48 2wby h LEU 642 N 0.74 0.41 -0.90 2.25 6.46 -1.24 0.27 115.31 123.31 2wby h LEU 642 Ca 0.15 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 2wby h LEU 642 Cb 0.45 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2wby h LEU 642 CO 0.02 0.41 0.29 0.50 -0.62 0.00 0.00 178.44 179.03 2wby h LYS 643 N 0.38 1.09 -0.57 1.25 1.63 -1.17 -0.89 116.57 118.28 2wby h LYS 643 Ca 0.11 -0.19 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 2wby h LYS 643 Cb 0.11 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2wby h LYS 643 CO -0.01 0.89 0.07 -0.22 -3.45 0.00 0.00 179.45 176.72 2wby h LYS 644 N 1.06 0.93 0.35 1.90 1.63 -0.36 -1.87 116.57 120.21 2wby h LYS 644 Ca 0.24 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2wby h LYS 644 Cb 0.21 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2wby h LYS 644 CO -0.02 0.87 -0.17 0.82 -3.45 0.00 0.00 179.45 177.51 2wby h ILE 645 N 0.87 0.67 -0.46 2.00 2.04 0.42 -1.46 117.51 121.59 2wby h ILE 645 Ca 0.18 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2wby h ILE 645 Cb 0.42 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2wby h ILE 645 CO 0.01 0.05 0.13 0.40 0.00 0.00 0.00 178.15 178.74 2wby h ILE 646 N -0.59 1.23 -0.98 -0.67 1.08 -1.42 0.14 117.51 116.30 2wby h ILE 646 Ca -0.05 -0.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.73 2wby h ILE 646 Cb 0.43 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.97 2wby h ILE 646 CO 0.08 0.28 0.63 -0.08 -0.69 0.00 0.00 178.15 178.37 2wby h GLU 647 N 0.61 1.03 -0.00 2.37 4.81 -1.33 -1.98 114.58 120.09 2wby h GLU 647 Ca 0.15 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.09 2wby h GLU 647 Cb 0.29 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2wby h GLU 647 CO -0.00 0.68 -0.93 0.87 -0.73 0.00 0.00 179.01 178.90 2wby h LYS 648 N 1.06 0.40 -1.00 1.92 1.79 -0.09 -2.79 116.57 117.87 2wby h LYS 648 Ca 0.45 -0.43 0.19 0.00 -2.18 0.00 0.00 60.65 58.68 2wby h LYS 648 Cb 0.31 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 30.98 2wby h LYS 648 CO -0.20 1.10 0.61 1.98 -1.08 0.00 0.00 179.45 181.86 2wby h MET 649 N 0.23 0.72 -0.19 3.15 4.05 -0.45 -1.87 114.93 120.56 2wby h MET 649 Ca -0.08 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2wby h MET 649 Cb 1.56 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.20 2wby h MET 649 CO 0.16 0.48 0.00 0.00 0.23 0.00 0.00 176.91 177.78 2wby n ALA 650 N -2.35 2.44 -2.00 0.39 0.00 -0.77 -3.90 120.51 114.32 2wby n ALA 650 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2wby n ALA 650 Cb 0.58 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 2wby n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wby n THR 651 N 1.42 0.00 -1.68 0.00 -2.24 -1.12 -4.31 114.28 106.35 2wby n THR 651 Ca 0.16 -0.01 -0.45 0.00 -2.27 0.00 0.00 64.05 61.49 2wby n THR 651 Cb 0.60 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 2wby n THR 651 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2wby n PHE 652 N 0.00 2.38 -4.02 4.78 7.35 -0.71 -5.00 117.46 122.23 2wby n PHE 652 Ca -0.00 0.22 -0.34 0.00 -0.76 0.00 0.00 57.45 56.57 2wby n PHE 652 Cb 0.65 -2.57 -0.15 0.00 0.35 0.00 0.00 39.48 37.76 2wby n PHE 652 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2wby s GLU 653 N 0.94 3.11 -0.12 -4.13 2.02 -1.26 -5.10 118.70 114.16 2wby s GLU 653 Ca 0.78 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 2wby s GLU 653 Cb -0.64 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 2wby s GLU 653 CO 0.37 -0.23 1.14 0.42 0.02 0.00 0.00 175.26 176.98 2wby s ILE 654 N 1.36 4.46 -0.04 -1.63 1.01 -1.26 -5.01 121.20 120.10 2wby s ILE 654 Ca 0.05 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.16 2wby s ILE 654 Cb -0.14 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 2wby s ILE 654 CO -0.08 -0.06 1.14 -0.62 0.00 0.00 0.00 174.94 175.32 2wby s ASP 655 N 1.44 7.12 0.15 3.58 -1.08 -1.26 -4.98 116.67 121.65 2wby s ASP 655 Ca 0.52 1.78 -0.16 0.00 -0.52 0.00 0.00 52.55 54.16 2wby s ASP 655 Cb -0.21 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.72 2wby s ASP 655 CO 0.17 -0.51 1.79 -0.08 0.52 0.00 0.00 175.17 177.06 2wby h GLU 656 N 7.22 0.41 -0.84 4.34 4.81 -2.00 -1.73 114.58 126.80 2wby h GLU 656 Ca -0.35 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.94 2wby h GLU 656 Cb 1.17 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.39 2wby h GLU 656 CO 0.85 0.27 0.50 0.87 -0.73 0.00 0.00 179.01 180.77 2wby h LYS 657 N 0.43 0.82 -0.18 1.92 1.79 -2.00 -2.32 116.57 117.03 2wby h LYS 657 Ca 0.15 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2wby h LYS 657 Cb 0.03 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 2wby h LYS 657 CO -0.08 0.54 0.09 0.00 -1.08 0.00 0.00 179.45 178.92 2wby h ARG 658 N 0.85 0.25 -0.50 3.15 2.47 -1.93 -1.18 114.38 117.48 2wby h ARG 658 Ca 0.40 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 59.18 2wby h ARG 658 Cb 0.33 -0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 28.52 2wby h ARG 658 CO -0.23 0.27 -0.02 0.35 0.56 0.00 0.00 179.97 180.90 2wby h PHE 659 N 0.17 -0.08 -0.66 3.04 3.57 -1.04 -0.38 116.94 121.56 2wby h PHE 659 Ca 0.06 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2wby h PHE 659 Cb 0.10 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2wby h PHE 659 CO -0.03 -0.14 0.11 1.49 -2.23 0.00 0.00 178.31 177.51 2wby h GLU 660 N 0.09 1.10 -0.18 1.11 4.57 -1.04 -0.43 114.58 119.79 2wby h GLU 660 Ca 0.25 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2wby h GLU 660 Cb 0.39 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2wby h GLU 660 CO -0.44 1.00 -0.11 0.82 -1.18 0.00 0.00 179.01 179.11 2wby h ILE 661 N 1.02 1.32 -0.20 2.32 2.04 -0.82 -1.27 117.51 121.92 2wby h ILE 661 Ca 0.20 -1.19 -0.14 0.00 1.00 0.00 0.00 64.86 64.73 2wby h ILE 661 Cb 0.44 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2wby h ILE 661 CO 0.01 0.36 -0.46 0.40 0.00 0.00 0.00 178.15 178.46 2wby h ILE 662 N 0.08 1.31 -0.42 -0.67 2.04 -1.06 -0.25 117.51 118.54 2wby h ILE 662 Ca 0.04 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 2wby h ILE 662 Cb 0.60 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2wby h ILE 662 CO 0.03 0.51 0.22 0.50 0.00 0.00 0.00 178.15 179.42 2wby h LYS 663 N 0.41 0.58 -0.78 2.37 3.64 -0.95 -0.56 116.57 121.29 2wby h LYS 663 Ca 0.03 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2wby h LYS 663 Cb 0.96 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2wby h LYS 663 CO 0.08 0.47 0.29 1.49 -2.27 0.00 0.00 179.45 179.52 2wby h GLU 664 N 0.54 1.17 -0.54 1.90 4.22 -0.93 -1.45 114.58 119.51 2wby h GLU 664 Ca 0.15 -0.22 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 2wby h GLU 664 Cb 0.06 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2wby h GLU 664 CO -0.02 0.96 0.14 0.00 -2.18 0.00 0.00 179.01 177.91 2wby h ALA 665 N 1.15 1.24 -0.10 2.92 0.00 -0.66 -2.36 119.26 121.46 2wby h ALA 665 Ca 0.26 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2wby h ALA 665 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wby h ALA 665 CO -0.02 0.53 -0.77 -0.92 0.00 0.00 0.00 179.25 178.07 2wby h TYR 666 N 0.79 0.77 -0.38 0.00 3.20 -0.58 -0.51 116.97 120.25 2wby h TYR 666 Ca 0.18 -0.34 0.03 0.00 3.14 0.00 0.00 58.73 61.73 2wby h TYR 666 Cb 0.27 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2wby h TYR 666 CO 0.02 1.14 0.20 1.98 -1.64 0.00 0.00 178.16 179.85 2wby h MET 667 N 0.38 0.39 -0.62 1.82 4.05 -0.99 -0.44 114.93 119.52 2wby h MET 667 Ca -0.04 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 2wby h MET 667 Cb 1.37 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 2wby h MET 667 CO 0.14 0.26 0.08 0.00 0.23 0.00 0.00 176.91 177.62 2wby h ARG 668 N 0.40 1.02 -0.51 0.39 3.08 -0.87 -1.01 114.38 116.89 2wby h ARG 668 Ca 0.16 -0.27 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2wby h ARG 668 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2wby h ARG 668 CO -0.11 0.95 -0.11 0.66 -1.07 0.00 0.00 179.97 180.30 2wby h SER 669 N 0.96 0.95 -0.53 7.04 4.64 -0.27 0.64 113.55 126.98 2wby h SER 669 Ca 0.19 -0.30 0.09 0.00 -0.47 0.00 0.00 61.79 61.30 2wby h SER 669 Cb 0.44 -0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 62.20 2wby h SER 669 CO 0.01 1.06 0.11 -0.07 -0.87 0.00 0.00 176.83 177.07 2wby h LEU 670 N 0.85 0.01 -1.06 5.97 3.38 -0.82 -1.71 115.31 121.92 2wby h LEU 670 Ca 0.14 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2wby h LEU 670 Cb 0.65 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2wby h LEU 670 CO 0.04 0.03 0.35 0.78 0.09 0.00 0.00 178.44 179.73 2wby h ASN 671 N 0.25 0.91 0.16 -0.43 2.35 -0.38 -2.71 115.58 115.72 2wby h ASN 671 Ca 0.27 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2wby h ASN 671 Cb 0.37 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2wby h ASN 671 CO -0.35 0.77 0.00 0.59 -1.65 0.00 0.00 177.43 176.79 2wby n ASN 672 N -4.34 0.00 0.24 5.81 5.03 0.22 -1.29 115.26 120.93 2wby n ASN 672 Ca 0.07 -0.01 0.06 0.00 0.87 0.00 0.00 54.58 55.57 2wby n ASN 672 Cb 0.13 -0.21 0.55 0.00 -1.02 0.00 0.00 39.78 39.23 2wby n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2wby h PHE 673 N 0.00 0.00 0.00 3.10 3.57 -1.31 -0.81 116.94 121.48 2wby h PHE 673 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wby h PHE 673 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2wby h PHE 673 CO 0.00 0.13 0.00 0.07 -2.23 0.00 0.00 178.31 176.28 2wby h ARG 674 N 0.00 0.00 -0.04 1.11 -0.00 -1.42 -1.87 114.38 112.17 2wby h ARG 674 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2wby h ARG 674 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.20 2wby h ARG 674 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.99 2wby n ALA 675 N -1.87 2.46 -0.59 0.08 0.00 -0.31 -4.35 120.51 115.93 2wby n ALA 675 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 2wby n ALA 675 Cb 0.07 -0.65 0.21 0.00 0.00 0.00 0.00 19.45 19.08 2wby n ALA 675 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wby n GLU 676 N 1.08 -1.55 -2.36 0.00 -0.58 -0.70 -4.94 120.64 111.59 2wby n GLU 676 Ca 0.11 -0.41 -0.35 0.00 -0.42 0.00 0.00 57.16 56.10 2wby n GLU 676 Cb 0.48 -2.12 -0.01 0.00 -0.57 0.00 0.00 31.44 29.22 2wby n GLU 676 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2wby s GLN 677 N -4.23 3.52 0.36 3.49 -0.21 -1.26 -4.85 119.66 116.47 2wby s GLN 677 Ca 0.65 1.52 0.13 0.00 0.02 0.00 0.00 55.36 57.69 2wby s GLN 677 Cb -0.22 -2.04 0.96 0.00 1.00 0.00 0.00 33.01 32.71 2wby s GLN 677 CO 0.64 -0.70 1.77 -1.35 -2.12 0.00 0.00 175.29 173.53 2wby h PRO 678 N 1.33 0.52 0.00 2.91 0.11 -1.90 -0.44 132.00 134.53 2wby h PRO 678 Ca -0.50 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.40 2wby h PRO 678 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2wby h PRO 678 CO 0.58 0.34 -0.83 1.12 -0.21 0.00 0.00 178.00 179.00 2wby h HIS 679 N 0.53 0.05 -0.66 0.65 2.07 -1.87 -0.76 115.15 115.15 2wby h HIS 679 Ca 0.59 -0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 58.03 2wby h HIS 679 Cb 1.25 -0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.20 2wby h HIS 679 CO -0.00 0.85 0.22 1.96 -3.07 0.00 0.00 177.93 177.88 2wby h GLN 680 N 0.02 1.02 -0.03 5.12 4.20 -1.51 -1.33 115.11 122.59 2wby h GLN 680 Ca -0.01 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.50 2wby h GLN 680 Cb 1.46 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 2wby h GLN 680 CO 0.11 0.88 -0.09 0.45 -0.67 0.00 0.00 178.83 179.51 2wby h HIS 681 N 0.95 -0.23 -0.75 2.96 3.86 -0.96 -0.28 115.15 120.70 2wby h HIS 681 Ca 0.21 0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.50 2wby h HIS 681 Cb 0.28 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.79 2wby h HIS 681 CO 0.02 -0.14 0.43 0.00 0.86 0.00 0.00 177.93 179.10 2wby h ALA 682 N 0.86 1.02 -0.46 2.45 0.00 -0.85 -0.78 119.26 121.51 2wby h ALA 682 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wby h ALA 682 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2wby h ALA 682 CO -0.11 0.12 0.19 0.52 0.00 0.00 0.00 179.25 179.97 2wby h MET 683 N 0.78 0.67 -0.35 0.00 2.07 -0.93 -1.91 114.93 115.26 2wby h MET 683 Ca 0.34 -0.12 0.04 0.00 -2.07 0.00 0.00 59.70 57.89 2wby h MET 683 Cb 0.22 -0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 29.80 2wby h MET 683 CO -0.19 0.60 0.12 -0.92 1.07 0.00 0.00 176.91 177.59 2wby h TYR 684 N 0.59 0.22 -0.35 -0.22 3.20 -0.10 -1.69 116.97 118.64 2wby h TYR 684 Ca 0.15 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2wby h TYR 684 Cb 0.17 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2wby h TYR 684 CO -0.00 0.10 -0.32 1.88 -1.64 0.00 0.00 178.16 178.18 2wby h TYR 685 N 0.27 0.89 -0.71 -3.82 0.05 -1.02 -1.29 116.97 111.34 2wby h TYR 685 Ca 0.16 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.70 2wby h TYR 685 Cb 0.13 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 2wby h TYR 685 CO -0.14 0.98 0.44 1.25 -1.05 0.00 0.00 178.16 179.64 2wby h LEU 686 N 0.65 0.85 0.32 3.88 5.85 -1.12 0.14 115.31 125.87 2wby h LEU 686 Ca 0.07 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wby h LEU 686 Cb 0.85 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2wby h LEU 686 CO 0.07 0.64 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.57 2wby h ARG 687 N 0.98 -0.42 -0.91 1.25 2.43 -0.72 -1.90 114.38 115.09 2wby h ARG 687 Ca 0.26 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.62 2wby h ARG 687 Cb -0.05 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.49 2wby h ARG 687 CO -0.05 -0.21 0.49 -0.07 -1.51 0.00 0.00 179.97 178.62 2wby h LEU 688 N -0.54 0.60 -0.77 3.80 3.38 -0.89 -2.77 115.31 118.12 2wby h LEU 688 Ca -0.04 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2wby h LEU 688 Cb 0.40 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2wby h LEU 688 CO 0.07 0.23 -0.35 -0.07 0.09 0.00 0.00 178.44 178.41 2wby h LEU 689 N 0.66 0.54 0.00 1.67 3.38 -0.23 -3.34 115.31 117.99 2wby h LEU 689 Ca 0.51 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2wby h LEU 689 Cb 0.76 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2wby h LEU 689 CO -0.38 0.85 -1.52 0.23 0.09 0.00 0.00 178.44 177.71 2wby n MET 690 N -4.06 0.40 -3.73 1.13 2.81 -0.76 -4.82 117.12 108.09 2wby n MET 690 Ca -0.01 -0.10 -0.37 0.00 -1.81 0.00 0.00 57.70 55.41 2wby n MET 690 Cb 0.48 -1.54 -0.07 0.00 -0.71 0.00 0.00 33.22 31.38 2wby n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2wby s THR 691 N -3.31 5.39 0.15 2.03 2.01 -1.06 -1.18 115.64 119.67 2wby s THR 691 Ca -0.01 0.35 -0.31 0.00 0.31 0.00 0.00 61.69 62.03 2wby s THR 691 Cb 0.15 -3.50 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 2wby s THR 691 CO 0.88 0.53 1.54 -0.08 -0.69 0.00 0.00 174.62 176.80 2wby h GLU 692 N 5.65 -0.15 -5.17 4.92 4.81 -1.48 -3.38 114.58 119.77 2wby h GLU 692 Ca -0.49 0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.08 2wby h GLU 692 Cb 1.20 0.03 -0.33 0.00 0.63 0.00 0.00 28.75 30.28 2wby h GLU 692 CO 0.66 -0.10 -0.84 0.08 -0.73 0.00 0.00 179.01 178.08 2wby s VAL 693 N -5.58 2.30 -0.21 0.32 1.01 -1.26 -5.05 120.40 111.94 2wby s VAL 693 Ca -0.13 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 2wby s VAL 693 Cb 0.10 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.61 2wby s VAL 693 CO 0.62 0.53 0.48 0.00 0.00 0.00 0.00 175.10 176.73 2wby s ALA 694 N 0.91 -1.29 0.05 5.51 0.00 -1.26 -5.09 121.76 120.58 2wby s ALA 694 Ca -0.04 1.74 -0.23 0.00 0.00 0.00 0.00 51.96 53.43 2wby s ALA 694 Cb -0.15 -1.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.74 2wby s ALA 694 CO -0.03 -0.45 0.68 -1.58 0.00 0.00 0.00 175.76 174.38 2wby s TRP 695 N 1.84 3.75 0.71 0.00 0.23 -1.26 -5.02 118.94 119.19 2wby s TRP 695 Ca -0.08 1.37 -0.11 0.00 -2.03 0.00 0.00 56.10 55.25 2wby s TRP 695 Cb -0.09 -2.70 0.02 0.00 0.03 0.00 0.00 33.47 30.73 2wby s TRP 695 CO -0.15 0.37 1.09 0.95 0.96 0.00 0.00 176.95 180.17 2wby s THR 696 N -0.38 3.61 0.30 2.01 -4.23 -1.26 -4.87 115.64 110.81 2wby s THR 696 Ca 0.34 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.36 2wby s THR 696 Cb -0.20 -3.44 0.23 0.00 1.34 0.00 0.00 72.50 70.43 2wby s THR 696 CO 0.21 -0.68 1.94 0.11 -0.54 0.00 0.00 174.62 175.65 2wby h LYS 697 N -0.71 0.99 -0.04 3.99 1.79 -1.97 -0.90 116.57 119.72 2wby h LYS 697 Ca -0.45 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2wby h LYS 697 Cb 1.24 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2wby h LYS 697 CO 0.62 0.71 0.03 -0.44 -1.08 0.00 0.00 179.45 179.29 2wby h ASP 698 N 1.01 0.05 -0.34 0.86 3.32 -1.94 0.11 116.42 119.50 2wby h ASP 698 Ca 0.26 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.29 2wby h ASP 698 Cb -0.01 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2wby h ASP 698 CO -0.05 0.08 0.15 -0.33 -1.72 0.00 0.00 179.24 177.38 2wby h GLU 699 N 0.02 0.30 -0.50 3.56 5.08 -1.83 -1.52 114.58 119.69 2wby h GLU 699 Ca 0.02 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2wby h GLU 699 Cb 0.04 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2wby h GLU 699 CO -0.00 0.20 0.24 -0.07 -1.00 0.00 0.00 179.01 178.38 2wby h LEU 700 N 0.31 0.34 -0.20 1.33 3.38 -0.93 -1.31 115.31 118.24 2wby h LEU 700 Ca 0.15 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2wby h LEU 700 Cb 0.08 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2wby h LEU 700 CO -0.12 0.24 -0.06 0.50 0.09 0.00 0.00 178.44 179.08 2wby h LYS 701 N 0.48 -0.02 0.40 1.13 3.64 -0.39 -1.71 116.57 120.08 2wby h LYS 701 Ca 0.22 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2wby h LYS 701 Cb 0.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2wby h LYS 701 CO -0.17 -0.01 -0.22 0.93 -2.27 0.00 0.00 179.45 177.71 2wby h GLU 702 N -0.02 -0.56 0.00 1.90 5.08 -0.98 -1.37 114.58 118.64 2wby h GLU 702 Ca 0.10 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2wby h GLU 702 Cb 0.17 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2wby h GLU 702 CO -0.22 -0.37 0.08 0.00 -1.00 0.00 0.00 179.01 177.50 2wby h ALA 703 N 0.01 1.07 -0.23 3.43 0.00 -1.12 -2.96 119.26 119.46 2wby h ALA 703 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2wby h ALA 703 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wby h ALA 703 CO 0.06 -0.07 -0.14 1.25 0.00 0.00 0.00 179.25 180.35 2wby h LEU 704 N 0.00 0.37 -1.52 0.00 5.85 -0.29 -2.75 115.31 116.97 2wby h LEU 704 Ca 0.00 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2wby h LEU 704 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2wby h LEU 704 CO 0.00 0.54 -0.24 0.44 -0.34 0.00 0.00 178.44 178.84 2wby h ASP 705 N 0.36 0.00 -0.01 1.25 5.19 -1.64 -1.66 116.42 119.91 2wby h ASP 705 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2wby h ASP 705 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2wby h ASP 705 CO 0.03 0.24 0.00 0.47 -3.12 0.00 0.00 179.24 176.86 2wby n ASP 706 N -3.91 0.59 -4.46 6.45 8.00 -1.04 -4.69 116.55 117.49 2wby n ASP 706 Ca -0.02 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.04 2wby n ASP 706 Cb 0.33 -0.28 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 2wby n ASP 706 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wby s VAL 707 N -1.46 4.86 0.38 2.53 1.01 -0.63 -4.97 120.40 122.12 2wby s VAL 707 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2wby s VAL 707 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2wby s VAL 707 CO 0.00 -0.76 0.23 0.42 0.00 0.00 0.00 175.10 175.00 2wby s THR 708 N 2.69 2.82 0.06 3.92 -4.23 -1.26 -4.97 115.64 114.67 2wby s THR 708 Ca 0.17 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 2wby s THR 708 Cb -0.18 -3.02 -0.15 0.00 1.34 0.00 0.00 72.50 70.50 2wby s THR 708 CO 0.14 -0.09 1.45 0.25 -0.54 0.00 0.00 174.62 175.83 2wby h LEU 709 N 1.34 -1.10 -0.94 4.79 5.85 -1.99 0.69 115.31 123.95 2wby h LEU 709 Ca -0.43 0.08 0.18 0.00 0.84 0.00 0.00 57.88 58.55 2wby h LEU 709 Cb 1.26 0.35 -0.17 0.00 0.37 0.00 0.00 40.66 42.47 2wby h LEU 709 CO 0.63 -0.57 -0.28 1.55 -0.34 0.00 0.00 178.44 179.43 2wby h PRO 710 N -0.87 -0.01 -0.33 5.25 0.13 -1.99 -0.46 132.00 133.72 2wby h PRO 710 Ca -0.06 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.09 2wby h PRO 710 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 2wby h PRO 710 CO -0.01 -0.01 0.18 0.00 -0.23 0.00 0.00 178.00 177.94 2wby h ARG 711 N -0.01 0.36 -0.43 0.86 3.08 -1.78 -1.49 114.38 114.98 2wby h ARG 711 Ca 0.42 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.46 2wby h ARG 711 Cb 0.66 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2wby h ARG 711 CO -0.97 0.24 0.27 1.25 -1.07 0.00 0.00 179.97 179.69 2wby h LEU 712 N 0.38 0.44 -1.37 3.04 6.46 -0.32 -1.94 115.31 122.00 2wby h LEU 712 Ca 0.13 -0.00 0.08 0.00 -0.12 0.00 0.00 57.88 57.97 2wby h LEU 712 Cb 0.02 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 2wby h LEU 712 CO -0.07 0.32 0.49 0.11 -0.62 0.00 0.00 178.44 178.67 2wby h LYS 713 N 0.54 0.72 -0.01 1.25 1.57 -0.77 -1.48 116.57 118.39 2wby h LYS 713 Ca 0.17 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 2wby h LYS 713 Cb -0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2wby h LYS 713 CO -0.06 0.47 -0.76 0.00 -0.57 0.00 0.00 179.45 178.54 2wby h ALA 714 N 1.61 0.73 -0.49 3.86 0.00 -1.01 -3.32 119.26 120.64 2wby h ALA 714 Ca 0.33 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2wby h ALA 714 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2wby h ALA 714 CO -0.12 0.91 -0.12 0.35 0.00 0.00 0.00 179.25 180.27 2wby h PHE 715 N 0.04 1.06 0.08 0.00 3.57 -0.48 -3.23 116.94 117.99 2wby h PHE 715 Ca -0.01 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.26 2wby h PHE 715 Cb 1.33 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2wby h PHE 715 CO 0.01 1.02 -0.11 0.82 -2.23 0.00 0.00 178.31 177.82 2wby h ILE 716 N 0.80 0.74 0.00 1.41 2.04 -1.60 0.35 117.51 121.25 2wby h ILE 716 Ca 0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 2wby h ILE 716 Cb 0.68 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2wby h ILE 716 CO 0.05 0.00 -0.16 -0.65 0.00 0.00 0.00 178.15 177.39 2wby h PRO 717 N -0.23 0.00 -0.07 2.37 0.11 -1.75 -1.46 132.00 130.96 2wby h PRO 717 Ca 0.01 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 2wby h PRO 717 Cb 0.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.35 2wby h PRO 717 CO -0.05 0.16 -0.47 0.37 -0.21 0.00 0.00 178.00 177.80 2wby h GLN 718 N 0.00 0.45 -0.86 1.05 5.75 -1.16 -1.68 115.11 118.65 2wby h GLN 718 Ca -0.00 -0.38 0.10 0.00 -0.15 0.00 0.00 58.65 58.21 2wby h GLN 718 Cb 0.28 0.09 -0.08 0.00 1.07 0.00 0.00 27.48 28.84 2wby h GLN 718 CO 0.02 1.02 0.50 1.25 -2.65 0.00 0.00 178.83 178.97 2wby h LEU 719 N -0.00 0.72 -0.13 -2.39 5.85 0.06 -2.50 115.31 116.92 2wby h LEU 719 Ca -0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2wby h LEU 719 Cb 1.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2wby h LEU 719 CO 0.10 0.40 -0.19 0.18 -0.34 0.00 0.00 178.44 178.59 2wby n LEU 720 N -4.72 0.39 0.20 2.25 4.77 -0.59 -4.12 117.00 115.18 2wby n LEU 720 Ca 0.15 0.11 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 2wby n LEU 720 Cb 0.29 -0.27 0.42 0.00 -2.33 0.00 0.00 43.42 41.52 2wby n LEU 720 CO 0.27 0.08 0.74 0.77 -1.33 0.00 0.00 177.39 177.92 2wby h SER 721 N 0.32 0.00 -3.18 -1.43 4.64 -0.82 -3.37 113.55 109.71 2wby h SER 721 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2wby h SER 721 Cb 0.43 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.22 2wby h SER 721 CO 0.00 0.33 -0.50 -0.13 -0.87 0.00 0.00 176.83 175.65 2wby s ARG 722 N -3.84 0.18 0.06 4.77 0.52 -1.26 -0.54 118.95 118.84 2wby s ARG 722 Ca -0.01 0.60 -0.09 0.00 -0.52 0.00 0.00 55.73 55.71 2wby s ARG 722 Cb 0.12 -0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.50 2wby s ARG 722 CO 0.67 -0.21 0.20 -0.51 0.02 0.00 0.00 175.30 175.48 2wby s LEU 723 N 1.67 1.35 0.01 2.53 1.43 -0.89 -4.69 118.68 120.10 2wby s LEU 723 Ca -0.06 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2wby s LEU 723 Cb -0.11 1.02 -0.02 0.00 0.03 0.00 0.00 46.19 47.11 2wby s LEU 723 CO -0.08 -0.63 -0.15 -2.28 0.23 0.00 0.00 176.35 173.44 2wby s HIS 724 N -3.07 1.31 -0.13 0.29 5.65 -1.16 -2.51 115.29 115.67 2wby s HIS 724 Ca -0.01 -0.30 0.02 0.00 0.25 0.00 0.00 55.06 55.03 2wby s HIS 724 Cb 0.01 -0.81 0.01 0.00 -1.18 0.00 0.00 32.58 30.61 2wby s HIS 724 CO -0.07 0.01 -0.21 0.42 -0.65 0.00 0.00 174.74 174.25 2wby s ILE 725 N -0.58 1.96 -0.14 0.89 1.01 0.18 -0.69 121.20 123.83 2wby s ILE 725 Ca 0.04 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.78 2wby s ILE 725 Cb -0.07 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 2wby s ILE 725 CO 0.00 0.53 -0.16 -0.70 0.00 0.00 0.00 174.94 174.61 2wby s GLU 726 N 0.82 3.24 0.04 2.79 2.12 0.15 -0.16 118.70 127.69 2wby s GLU 726 Ca -0.08 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.55 2wby s GLU 726 Cb -0.16 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 2wby s GLU 726 CO -0.01 0.11 -0.14 0.00 -0.54 0.00 0.00 175.26 174.68 2wby s ALA 727 N 0.59 1.14 -0.20 6.30 0.00 -0.21 -0.23 121.76 129.15 2wby s ALA 727 Ca -0.09 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2wby s ALA 727 Cb -0.16 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 22.83 2wby s ALA 727 CO 0.03 0.20 -0.15 -1.17 0.00 0.00 0.00 175.76 174.68 2wby s LEU 728 N -1.19 2.44 -0.22 0.00 0.20 -0.18 -0.12 118.68 119.60 2wby s LEU 728 Ca 0.01 -0.87 -0.04 0.00 0.69 0.00 0.00 54.13 53.92 2wby s LEU 728 Cb -0.08 -1.40 -0.01 0.00 -0.43 0.00 0.00 46.19 44.27 2wby s LEU 728 CO 0.01 -0.09 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.18 2wby s LEU 729 N 1.29 2.89 -0.18 -0.68 1.43 -0.25 -1.01 118.68 122.18 2wby s LEU 729 Ca 0.00 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2wby s LEU 729 Cb -0.15 -1.73 0.07 0.00 0.03 0.00 0.00 46.19 44.41 2wby s LEU 729 CO -0.10 -0.03 0.39 -2.28 0.23 0.00 0.00 176.35 174.57 2wby s HIS 730 N 1.47 -0.66 -2.99 0.29 2.46 -0.31 -1.84 115.29 113.70 2wby s HIS 730 Ca 0.06 1.35 0.00 0.00 0.47 0.00 0.00 55.06 56.93 2wby s HIS 730 Cb -0.14 0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 2wby s HIS 730 CO -0.04 -0.40 0.00 0.41 -2.47 0.00 0.00 174.74 172.24 2wby n GLY 731 N 4.91 0.17 2.91 1.59 0.00 -1.10 -0.48 105.19 113.18 2wby n GLY 731 Ca -0.15 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 2wby n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wby n ASN 732 N 0.00 4.76 -3.81 1.61 5.15 0.23 -0.70 115.26 122.50 2wby n ASN 732 Ca 0.00 -3.02 -0.12 0.00 -0.60 0.00 0.00 54.58 50.84 2wby n ASN 732 Cb 0.00 -1.55 -0.10 0.00 -0.53 0.00 0.00 39.78 37.60 2wby n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2wby s ILE 733 N 1.43 0.04 0.59 -1.44 -5.25 -1.26 -4.84 121.20 110.47 2wby s ILE 733 Ca 0.43 -0.35 -0.10 0.00 -0.99 0.00 0.00 60.65 59.64 2wby s ILE 733 Cb 0.09 -0.43 -0.04 0.00 2.95 0.00 0.00 42.46 45.03 2wby s ILE 733 CO -0.02 -0.19 0.98 0.42 -1.79 0.00 0.00 174.94 174.33 2wby s THR 734 N -0.73 4.75 0.18 8.37 -4.23 -1.26 -4.45 115.64 118.27 2wby s THR 734 Ca -0.08 0.74 -0.19 0.00 -1.18 0.00 0.00 61.69 60.98 2wby s THR 734 Cb -0.05 -3.87 0.14 0.00 1.34 0.00 0.00 72.50 70.06 2wby s THR 734 CO 0.02 -1.08 1.61 0.50 -0.54 0.00 0.00 174.62 175.13 2wby h LYS 735 N -0.18 -0.13 -0.74 3.99 3.64 -1.99 0.25 116.57 121.41 2wby h LYS 735 Ca -0.45 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2wby h LYS 735 Cb 1.19 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2wby h LYS 735 CO 0.62 -0.08 0.49 -0.56 -2.27 0.00 0.00 179.45 177.64 2wby h GLN 736 N -0.13 0.82 -0.02 1.90 3.07 -1.99 0.24 115.11 119.00 2wby h GLN 736 Ca 0.23 -0.05 -0.18 0.00 0.09 0.00 0.00 58.65 58.74 2wby h GLN 736 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 2wby h GLN 736 CO -0.59 0.54 -0.79 0.00 0.09 0.00 0.00 178.83 178.08 2wby h ALA 737 N 1.58 0.62 -0.10 0.06 0.00 -1.52 -1.52 119.26 118.38 2wby h ALA 737 Ca 0.31 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2wby h ALA 737 Cb 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wby h ALA 737 CO -0.10 0.87 0.02 0.00 0.00 0.00 0.00 179.25 180.04 2wby h ALA 738 N 1.05 0.14 -0.95 0.00 0.00 0.23 0.23 119.26 119.96 2wby h ALA 738 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2wby h ALA 738 Cb 1.39 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2wby h ALA 738 CO 0.12 -0.22 0.62 -0.07 0.00 0.00 0.00 179.25 179.71 2wby h LEU 739 N -0.06 1.06 -0.04 0.00 3.38 -0.96 0.09 115.31 118.78 2wby h LEU 739 Ca 0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wby h LEU 739 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2wby h LEU 739 CO 0.00 0.75 -0.02 1.23 0.09 0.00 0.00 178.44 180.49 2wby h GLY 740 N 1.24 0.02 0.94 0.83 0.00 -1.09 0.58 103.07 105.60 2wby h GLY 740 Ca 0.36 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 2wby h GLY 740 CO -0.10 -0.02 0.13 -2.22 0.00 0.00 0.00 176.54 174.33 2wby h ILE 741 N -0.01 1.21 -0.32 2.60 2.04 -0.60 0.13 117.51 122.57 2wby h ILE 741 Ca 0.02 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.20 2wby h ILE 741 Cb 0.05 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2wby h ILE 741 CO -0.05 0.25 0.16 -0.03 0.00 0.00 0.00 178.15 178.48 2wby h MET 742 N 0.51 0.33 -0.05 2.37 4.05 -0.84 -1.71 114.93 119.58 2wby h MET 742 Ca 0.13 -0.02 -0.17 0.00 -0.28 0.00 0.00 59.70 59.36 2wby h MET 742 Cb 0.25 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2wby h MET 742 CO -0.00 0.22 -0.72 0.37 0.23 0.00 0.00 176.91 177.00 2wby h GLN 743 N 0.34 0.27 -0.71 0.39 5.75 -0.58 -1.70 115.11 118.87 2wby h GLN 743 Ca 0.13 -0.23 0.06 0.00 -0.15 0.00 0.00 58.65 58.46 2wby h GLN 743 Cb 0.04 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 2wby h GLN 743 CO -0.08 0.88 0.42 1.98 -2.65 0.00 0.00 178.83 179.37 2wby h MET 744 N 0.18 0.75 0.05 1.69 4.05 -0.52 0.42 114.93 121.55 2wby h MET 744 Ca -0.02 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2wby h MET 744 Cb 1.28 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 2wby h MET 744 CO 0.11 0.50 -0.02 0.28 0.23 0.00 0.00 176.91 178.01 2wby h VAL 745 N 0.77 0.97 -0.39 -5.77 2.07 -0.80 -1.71 116.25 111.39 2wby h VAL 745 Ca 0.31 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.82 2wby h VAL 745 Cb 0.16 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2wby h VAL 745 CO -0.17 0.02 0.04 -0.33 0.02 0.00 0.00 177.57 177.15 2wby h GLU 746 N -0.10 0.15 -0.20 1.57 5.08 -0.97 -2.66 114.58 117.44 2wby h GLU 746 Ca -0.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2wby h GLU 746 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2wby h GLU 746 CO 0.01 0.10 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.43 2wby h ASP 747 N 0.15 0.37 -0.40 1.42 3.45 -0.01 -0.06 116.42 121.35 2wby h ASP 747 Ca 0.19 -0.12 -0.10 0.00 0.43 0.00 0.00 57.03 57.43 2wby h ASP 747 Cb 0.25 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 2wby h ASP 747 CO -0.28 0.63 -0.13 0.74 -1.57 0.00 0.00 179.24 178.63 2wby h THR 748 N 0.33 1.28 -0.15 0.35 2.02 -1.10 0.15 112.91 115.79 2wby h THR 748 Ca 0.05 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 2wby h THR 748 Cb 0.63 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2wby h THR 748 CO 0.04 0.41 0.02 -0.07 0.37 0.00 0.00 175.52 176.30 2wby h LEU 749 N 0.60 0.24 -0.50 2.58 3.38 -1.10 -1.91 115.31 118.59 2wby h LEU 749 Ca 0.10 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2wby h LEU 749 Cb 0.66 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2wby h LEU 749 CO 0.05 0.45 0.20 0.40 0.09 0.00 0.00 178.44 179.63 2wby h ILE 750 N 0.03 0.86 -0.34 1.22 2.04 -0.89 0.19 117.51 120.62 2wby h ILE 750 Ca 0.05 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2wby h ILE 750 Cb 0.32 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2wby h ILE 750 CO 0.00 0.07 0.07 -0.08 0.00 0.00 0.00 178.15 178.21 2wby h GLU 751 N 0.40 0.56 0.00 2.37 4.81 -0.41 -0.90 114.58 121.41 2wby h GLU 751 Ca 0.24 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2wby h GLU 751 Cb 0.23 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2wby h GLU 751 CO -0.22 0.63 -1.97 0.72 -0.73 0.00 0.00 179.01 177.44 2wby n HIS 752 N -4.60 0.00 -0.33 0.92 8.25 -0.75 -4.40 115.22 114.31 2wby n HIS 752 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2wby n HIS 752 Cb 0.21 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.79 2wby n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wby n ALA 753 N -2.27 1.68 -2.46 -1.41 0.00 0.63 -4.82 120.51 111.86 2wby n ALA 753 Ca -0.08 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.77 2wby n ALA 753 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 2wby n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wby n HIS 754 N -0.04 -1.12 -1.67 0.00 -0.00 -0.34 -4.58 115.22 107.47 2wby n HIS 754 Ca 0.00 0.05 -0.44 0.00 -0.00 0.00 0.00 57.72 57.32 2wby n HIS 754 Cb 0.11 -3.92 -0.02 0.00 -0.00 0.00 0.00 29.99 26.16 2wby n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2wby n THR 755 N -4.00 1.43 -4.49 1.59 -1.04 -1.21 -4.90 114.28 101.66 2wby n THR 755 Ca -0.23 -0.36 -0.23 0.00 -2.04 0.00 0.00 64.05 61.19 2wby n THR 755 Cb 0.68 -1.42 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 2wby n THR 755 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2wby s LYS 756 N -1.04 1.69 0.60 -2.82 1.02 0.30 -4.67 119.74 114.81 2wby s LYS 756 Ca 0.63 -1.87 -0.18 0.00 0.02 0.00 0.00 55.97 54.57 2wby s LYS 756 Cb -0.64 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2wby s LYS 756 CO 0.55 0.06 1.17 -2.14 -0.92 0.00 0.00 175.35 174.07 2wby s PRO 757 N -3.69 2.98 0.48 -1.68 0.02 -1.26 -2.09 135.00 129.76 2wby s PRO 757 Ca 0.31 1.68 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 2wby s PRO 757 Cb 0.04 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 2wby s PRO 757 CO 0.14 -1.16 0.84 -1.17 -0.33 0.00 0.00 177.00 175.32 2wby s LEU 758 N -4.22 3.64 0.29 -5.54 2.96 -1.04 -4.69 118.68 110.08 2wby s LEU 758 Ca 0.74 1.16 -0.27 0.00 -0.22 0.00 0.00 54.13 55.54 2wby s LEU 758 Cb -0.27 -4.10 -0.10 0.00 0.50 0.00 0.00 46.19 42.23 2wby s LEU 758 CO 0.34 -0.56 0.93 -0.76 -1.32 0.00 0.00 176.35 174.98 2wby s LEU 759 N -4.40 4.43 0.35 -0.68 2.01 -1.26 -4.92 118.68 114.21 2wby s LEU 759 Ca 0.51 1.85 0.13 0.00 0.01 0.00 0.00 54.13 56.64 2wby s LEU 759 Cb -0.10 -3.88 0.96 0.00 0.01 0.00 0.00 46.19 43.18 2wby s LEU 759 CO 0.40 0.00 1.75 -0.65 1.01 0.00 0.00 176.35 178.86 2wby h PRO 760 N 3.47 0.50 0.00 1.29 0.11 -1.97 0.41 132.00 135.82 2wby h PRO 760 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wby h PRO 760 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wby h PRO 760 CO 0.66 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 177.65 2wby n SER 761 N -4.77 0.03 -1.05 -2.05 3.41 -1.26 -1.95 113.62 105.98 2wby n SER 761 Ca 0.26 0.51 0.09 0.00 -0.26 0.00 0.00 58.87 59.47 2wby n SER 761 Cb 0.79 -0.51 0.26 0.00 -0.26 0.00 0.00 64.21 64.48 2wby n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wby n GLN 762 N -1.53 2.31 -1.92 4.33 6.02 0.14 -4.36 117.38 122.38 2wby n GLN 762 Ca 0.03 -2.04 -0.41 0.00 -0.01 0.00 0.00 57.00 54.57 2wby n GLN 762 Cb 0.15 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 2wby n GLN 762 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wby n LEU 763 N 1.16 7.72 -4.70 1.08 4.77 -0.82 -4.79 117.00 121.43 2wby n LEU 763 Ca 0.19 -4.65 -0.42 0.00 -0.03 0.00 0.00 56.01 51.10 2wby n LEU 763 Cb 0.48 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2wby n LEU 763 CO 0.13 1.80 1.32 0.68 -1.33 0.00 0.00 177.39 179.98 2wby s VAL 764 N 0.32 2.70 0.01 4.08 -7.23 -1.26 -5.03 120.40 113.99 2wby s VAL 764 Ca 0.53 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 2wby s VAL 764 Cb 0.16 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 2wby s VAL 764 CO -0.06 0.01 0.08 -0.13 -0.31 0.00 0.00 175.10 174.69 2wby s ARG 765 N 1.93 3.03 0.30 4.82 1.81 -1.26 -5.04 118.95 124.54 2wby s ARG 765 Ca 0.74 -0.52 -0.18 0.00 -1.72 0.00 0.00 55.73 54.05 2wby s ARG 765 Cb -0.43 -2.83 -0.09 0.00 -0.45 0.00 0.00 34.95 31.14 2wby s ARG 765 CO 0.32 0.64 0.76 0.71 -0.68 0.00 0.00 175.30 177.05 2wby s TYR 766 N -1.22 3.47 0.45 -0.53 4.12 -1.26 -5.05 117.35 117.34 2wby s TYR 766 Ca 0.24 1.34 0.07 0.00 0.02 0.00 0.00 57.07 58.73 2wby s TYR 766 Cb -0.12 -2.61 0.02 0.00 -1.52 0.00 0.00 41.96 37.73 2wby s TYR 766 CO 0.15 0.15 0.62 1.03 0.02 0.00 0.00 175.55 177.52 2wby s ARG 767 N -2.64 2.74 -0.11 -0.62 0.52 -1.26 -4.79 118.95 112.79 2wby s ARG 767 Ca 0.51 -1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2wby s ARG 767 Cb -0.12 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 2wby s ARG 767 CO 0.18 -0.39 -0.01 -2.00 0.02 0.00 0.00 175.30 173.10 2wby s GLU 768 N -4.45 3.22 0.04 3.54 2.12 -1.26 -1.16 118.70 120.75 2wby s GLU 768 Ca 0.56 -0.45 -0.37 0.00 0.36 0.00 0.00 54.97 55.07 2wby s GLU 768 Cb -0.10 -2.84 -0.17 0.00 0.26 0.00 0.00 34.13 31.29 2wby s GLU 768 CO 0.34 0.54 1.39 0.28 -0.54 0.00 0.00 175.26 177.27 2wby n VAL 769 N 2.63 0.04 -3.48 3.70 0.31 -0.32 -1.25 118.33 119.96 2wby n VAL 769 Ca -0.18 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 63.74 2wby n VAL 769 Cb 0.53 -0.87 -0.10 0.00 -0.91 0.00 0.00 33.84 32.49 2wby n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2wby s GLN 770 N 0.85 3.56 0.26 5.55 0.74 -0.15 -4.77 119.66 125.69 2wby s GLN 770 Ca 0.86 -0.52 -0.27 0.00 0.05 0.00 0.00 55.36 55.48 2wby s GLN 770 Cb -0.97 -3.80 -0.09 0.00 1.10 0.00 0.00 33.01 29.25 2wby s GLN 770 CO 0.49 -0.46 0.91 -0.51 -0.55 0.00 0.00 175.29 175.17 2wby s LEU 771 N 1.86 4.51 0.24 3.68 1.02 -1.26 -4.10 118.68 124.62 2wby s LEU 771 Ca 0.09 1.83 -0.30 0.00 0.02 0.00 0.00 54.13 55.77 2wby s LEU 771 Cb -0.17 -3.72 -0.09 0.00 0.02 0.00 0.00 46.19 42.23 2wby s LEU 771 CO 0.11 0.07 1.01 -2.16 0.02 0.00 0.00 176.35 175.40 2wby s PRO 772 N -1.55 4.76 -0.36 1.29 0.04 -1.26 -4.94 135.00 132.98 2wby s PRO 772 Ca 0.44 1.61 -0.35 0.00 0.04 0.00 0.00 61.00 62.74 2wby s PRO 772 Cb -0.22 -3.25 -0.15 0.00 0.04 0.00 0.00 34.50 30.91 2wby s PRO 772 CO 0.27 0.37 1.19 -0.25 0.04 0.00 0.00 177.00 178.62 2wby n ASP 773 N 1.50 0.86 0.00 6.66 10.43 -1.26 -1.08 116.55 133.67 2wby n ASP 773 Ca -0.01 0.90 0.00 0.00 2.57 0.00 0.00 54.79 58.25 2wby n ASP 773 Cb 0.46 -0.67 0.00 0.00 1.84 0.00 0.00 41.12 42.76 2wby n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wby n ARG 774 N 2.91 -0.12 -2.55 -1.24 1.74 0.89 -4.96 116.66 113.34 2wby n ARG 774 Ca 0.23 0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 57.04 2wby n ARG 774 Cb -0.04 -2.98 -0.01 0.00 -1.02 0.00 0.00 32.46 28.40 2wby n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wby s GLY 775 N -2.00 1.77 -0.08 -0.13 0.00 -0.24 -4.97 107.32 101.67 2wby s GLY 775 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 2wby s GLY 775 CO 0.00 -0.02 -0.01 0.86 0.00 0.00 0.00 173.10 173.93 2wby s TRP 776 N -2.67 0.81 0.01 1.90 -0.00 -1.24 -1.83 118.94 115.92 2wby s TRP 776 Ca 0.52 -0.28 0.08 0.00 -0.00 0.00 0.00 56.10 56.42 2wby s TRP 776 Cb -0.10 -0.88 -0.03 0.00 -0.00 0.00 0.00 33.47 32.46 2wby s TRP 776 CO 0.40 -0.37 -0.23 -0.06 -0.00 0.00 0.00 176.95 176.69 2wby s PHE 777 N 1.93 2.42 -0.06 5.86 0.40 -0.24 -1.25 117.98 127.03 2wby s PHE 777 Ca 0.05 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.08 2wby s PHE 777 Cb -0.12 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 2wby s PHE 777 CO -0.06 0.11 -0.25 0.08 0.70 0.00 0.00 175.22 175.80 2wby s VAL 778 N -0.76 2.03 -0.09 -0.44 1.01 -0.58 -0.89 120.40 120.67 2wby s VAL 778 Ca 0.12 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2wby s VAL 778 Cb -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2wby s VAL 778 CO 0.02 0.57 -0.22 -0.47 0.00 0.00 0.00 175.10 174.99 2wby s TYR 779 N -0.17 2.36 -0.03 5.22 5.04 -0.18 -0.18 117.35 129.42 2wby s TYR 779 Ca -0.03 -0.96 0.07 0.00 -2.44 0.00 0.00 57.07 53.70 2wby s TYR 779 Cb -0.14 -1.60 -0.01 0.00 0.35 0.00 0.00 41.96 40.56 2wby s TYR 779 CO 0.04 -0.40 -0.22 -1.14 -1.34 0.00 0.00 175.55 172.49 2wby s GLN 780 N 0.40 1.93 0.19 4.97 0.74 -1.26 0.08 119.66 126.71 2wby s GLN 780 Ca -0.18 -0.80 -0.15 0.00 0.05 0.00 0.00 55.36 54.28 2wby s GLN 780 Cb -0.18 -1.80 0.02 0.00 1.10 0.00 0.00 33.01 32.15 2wby s GLN 780 CO 0.08 0.45 0.46 -0.65 -0.55 0.00 0.00 175.29 175.08 2wby s GLN 781 N -0.42 1.33 -0.11 1.67 -1.52 0.13 -4.96 119.66 115.77 2wby s GLN 781 Ca 0.06 -0.95 -0.01 0.00 -1.95 0.00 0.00 55.36 52.51 2wby s GLN 781 Cb -0.10 0.48 -0.02 0.00 -0.22 0.00 0.00 33.01 33.15 2wby s GLN 781 CO 0.00 -0.54 -0.09 0.50 -0.25 0.00 0.00 175.29 174.91 2wby s ARG 782 N -3.90 3.24 -0.19 2.91 3.52 -1.26 0.73 118.95 124.00 2wby s ARG 782 Ca 0.11 -0.60 -0.24 0.00 -0.13 0.00 0.00 55.73 54.87 2wby s ARG 782 Cb 0.00 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.69 2wby s ARG 782 CO -0.02 0.37 0.76 1.21 -0.81 0.00 0.00 175.30 176.81 2wby s ASN 783 N -0.03 6.85 0.00 -2.12 2.47 0.53 -4.90 114.94 117.74 2wby s ASN 783 Ca -0.01 1.04 0.28 0.00 0.42 0.00 0.00 52.86 54.59 2wby s ASN 783 Cb -0.14 -2.42 0.99 0.00 -1.45 0.00 0.00 41.25 38.23 2wby s ASN 783 CO 0.03 -0.37 1.73 -0.62 -3.72 0.00 0.00 177.10 174.16 2wby n GLU 784 N 5.24 0.26 -0.07 0.43 1.02 -1.26 -2.43 120.64 123.83 2wby n GLU 784 Ca 0.03 -0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 2wby n GLU 784 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 2wby n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wby n VAL 785 N -1.28 0.80 -3.83 2.62 0.31 -1.26 -4.86 118.33 110.82 2wby n VAL 785 Ca 0.09 -0.29 -0.33 0.00 -0.01 0.00 0.00 64.34 63.80 2wby n VAL 785 Cb 0.32 -1.11 -0.05 0.00 -0.91 0.00 0.00 33.84 32.09 2wby n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2wby s HIS 786 N -2.28 3.55 -0.63 3.52 3.76 -1.26 -4.91 115.29 117.05 2wby s HIS 786 Ca -0.19 0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 55.16 2wby s HIS 786 Cb 0.05 -1.90 0.47 0.00 1.11 0.00 0.00 32.58 32.32 2wby s HIS 786 CO 0.31 0.61 1.99 -1.71 -0.85 0.00 0.00 174.74 175.10 2wby n ASN 787 N 0.88 7.20 -4.43 1.40 5.15 -1.26 -1.02 115.26 123.18 2wby n ASN 787 Ca -0.10 -3.77 -0.21 0.00 -0.60 0.00 0.00 54.58 49.90 2wby n ASN 787 Cb 0.52 -0.94 -0.10 0.00 -0.53 0.00 0.00 39.78 38.73 2wby n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2wby s ASN 788 N -1.85 2.82 0.34 1.20 -0.87 -1.26 -4.76 114.94 110.56 2wby s ASN 788 Ca 0.64 -1.18 0.08 0.00 -1.57 0.00 0.00 52.86 50.82 2wby s ASN 788 Cb 0.50 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.25 41.52 2wby s ASN 788 CO 0.00 -0.32 0.24 -0.94 -2.57 0.00 0.00 177.10 173.51 2wby s SER 789 N -3.45 5.07 0.05 -1.22 1.04 0.16 -3.03 113.70 112.33 2wby s SER 789 Ca 0.29 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.16 2wby s SER 789 Cb 0.03 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.25 2wby s SER 789 CO 0.12 -0.34 -0.10 -0.83 0.98 0.00 0.00 173.24 173.07 2wby s GLY 790 N -3.94 0.64 0.03 7.32 0.00 0.42 -1.29 107.32 110.49 2wby s GLY 790 Ca 0.40 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 44.27 2wby s GLY 790 CO 0.25 -0.91 -0.07 -1.50 0.00 0.00 0.00 173.10 170.87 2wby s ILE 791 N -1.42 0.48 -0.06 0.90 2.07 -0.57 0.15 121.20 122.74 2wby s ILE 791 Ca -0.06 -0.82 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 2wby s ILE 791 Cb -0.09 -0.51 0.01 0.00 0.13 0.00 0.00 42.46 42.00 2wby s ILE 791 CO 0.01 -0.24 -0.13 -0.70 -1.91 0.00 0.00 174.94 171.97 2wby s GLU 792 N -1.15 1.67 -0.13 3.50 2.12 -0.81 -2.09 118.70 121.82 2wby s GLU 792 Ca -0.07 -0.43 0.02 0.00 0.36 0.00 0.00 54.97 54.86 2wby s GLU 792 Cb -0.08 -1.40 0.01 0.00 0.26 0.00 0.00 34.13 32.93 2wby s GLU 792 CO 0.00 0.05 -0.20 0.42 -0.54 0.00 0.00 175.26 175.00 2wby s ILE 793 N 0.57 1.89 -0.22 -3.70 1.01 -0.27 -0.72 121.20 119.76 2wby s ILE 793 Ca -0.13 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2wby s ILE 793 Cb -0.15 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.68 2wby s ILE 793 CO 0.03 0.52 -0.15 -0.47 0.00 0.00 0.00 174.94 174.87 2wby s TYR 794 N 0.85 2.98 -0.64 3.97 5.04 0.72 -1.31 117.35 128.95 2wby s TYR 794 Ca -0.07 -1.95 -0.16 0.00 -2.44 0.00 0.00 57.07 52.45 2wby s TYR 794 Cb -0.15 -1.91 0.15 0.00 0.35 0.00 0.00 41.96 40.40 2wby s TYR 794 CO -0.01 -0.84 0.64 0.71 -1.34 0.00 0.00 175.55 174.71 2wby s TYR 795 N 1.21 3.33 0.10 4.97 1.51 0.37 -1.45 117.35 127.40 2wby s TYR 795 Ca -0.02 -1.41 -0.30 0.00 -1.01 0.00 0.00 57.07 54.33 2wby s TYR 795 Cb -0.16 -3.87 -0.06 0.00 -0.11 0.00 0.00 41.96 37.76 2wby s TYR 795 CO -0.09 -1.09 1.05 -1.14 -1.11 0.00 0.00 175.55 173.16 2wby s GLN 796 N 1.50 4.60 0.00 -0.62 0.74 0.11 -0.77 119.66 125.21 2wby s GLN 796 Ca 0.10 1.58 0.00 0.00 0.05 0.00 0.00 55.36 57.09 2wby s GLN 796 Cb -0.22 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.53 2wby s GLN 796 CO -0.00 0.04 0.00 0.25 -0.55 0.00 0.00 175.29 175.03 2wby n THR 797 N 3.05 0.00 -3.62 -0.34 -2.24 -0.03 -4.18 114.28 106.92 2wby n THR 797 Ca 0.04 0.49 -0.00 0.00 -2.27 0.00 0.00 64.05 62.31 2wby n THR 797 Cb 0.48 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 2wby n THR 797 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wby n ASP 798 N -2.42 -0.10 -4.74 3.42 -0.08 -1.23 -5.04 116.55 106.36 2wby n ASP 798 Ca 0.00 -1.04 -0.36 0.00 -1.51 0.00 0.00 54.79 51.88 2wby n ASP 798 Cb 0.00 0.16 0.05 0.00 2.34 0.00 0.00 41.12 43.67 2wby n ASP 798 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2wby s MET 799 N -2.00 2.74 0.36 -0.67 -1.94 -1.26 -2.29 119.30 114.23 2wby s MET 799 Ca 0.02 1.85 -0.28 0.00 -1.71 0.00 0.00 55.69 55.57 2wby s MET 799 Cb -0.00 -1.90 -0.10 0.00 2.01 0.00 0.00 34.83 34.84 2wby s MET 799 CO 0.00 -1.39 1.31 -0.65 -0.01 0.00 0.00 175.02 174.28 2wby s GLN 800 N -3.46 4.21 0.07 2.03 -0.21 0.80 -4.82 119.66 118.27 2wby s GLN 800 Ca 0.78 2.21 -0.27 0.00 0.02 0.00 0.00 55.36 58.10 2wby s GLN 800 Cb -0.31 -2.96 0.09 0.00 1.00 0.00 0.00 33.01 30.83 2wby s GLN 800 CO 0.37 -0.31 1.00 -1.54 -2.12 0.00 0.00 175.29 172.69 2wby s SER 801 N -0.55 -0.21 0.21 5.90 1.04 -1.26 -4.99 113.70 113.83 2wby s SER 801 Ca 0.52 -0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.56 2wby s SER 801 Cb -0.39 0.39 0.21 0.00 0.10 0.00 0.00 66.02 66.33 2wby s SER 801 CO 0.52 -0.70 1.60 0.74 0.98 0.00 0.00 173.24 176.38 2wby h THR 802 N 2.00 0.26 0.16 2.02 2.02 -1.99 0.15 112.91 117.52 2wby h THR 802 Ca -0.24 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.70 2wby h THR 802 Cb 1.23 0.26 0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2wby h THR 802 CO 0.27 0.00 -1.07 0.77 0.37 0.00 0.00 175.52 175.87 2wby h SER 803 N -0.06 0.67 -0.53 4.18 4.64 -1.98 -2.74 113.55 117.72 2wby h SER 803 Ca 0.29 -0.90 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 2wby h SER 803 Cb 0.52 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2wby h SER 803 CO -0.70 1.51 0.32 -0.08 -0.87 0.00 0.00 176.83 177.01 2wby h GLU 804 N -0.07 0.74 -0.13 4.77 4.57 -1.80 -0.59 114.58 122.07 2wby h GLU 804 Ca -0.18 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 2wby h GLU 804 Cb 1.81 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 30.24 2wby h GLU 804 CO 0.20 0.53 -0.04 -0.91 -1.18 0.00 0.00 179.01 177.61 2wby h ASN 805 N 0.76 0.26 0.80 1.04 -0.26 -0.66 -2.63 115.58 114.88 2wby h ASN 805 Ca 0.20 -0.38 -0.10 0.00 -0.56 0.00 0.00 56.30 55.46 2wby h ASN 805 Cb -0.01 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 2wby h ASN 805 CO -0.04 0.58 -0.47 0.24 -1.06 0.00 0.00 177.43 176.69 2wby h MET 806 N -0.06 0.00 0.39 0.81 2.86 -1.36 0.15 114.93 117.72 2wby h MET 806 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2wby h MET 806 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2wby h MET 806 CO 0.01 0.47 -0.19 0.74 1.06 0.00 0.00 176.91 179.00 2wby h PHE 807 N 0.00 -0.49 -0.66 -0.22 0.04 -1.02 -1.31 116.94 113.27 2wby h PHE 807 Ca -0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 2wby h PHE 807 Cb 0.99 0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.27 2wby h PHE 807 CO 0.00 -0.27 0.38 1.25 -0.60 0.00 0.00 178.31 179.07 2wby h LEU 808 N -0.58 0.80 -0.03 1.54 5.85 -1.33 -2.01 115.31 119.55 2wby h LEU 808 Ca -0.05 -0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.36 2wby h LEU 808 Cb 0.43 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.28 2wby h LEU 808 CO 0.09 0.63 -1.03 -0.33 -0.34 0.00 0.00 178.44 177.46 2wby h GLU 809 N 0.92 0.65 -0.42 1.25 5.08 -0.58 -1.39 114.58 120.08 2wby h GLU 809 Ca 0.24 -0.70 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2wby h GLU 809 Cb -0.01 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2wby h GLU 809 CO -0.04 1.29 0.18 1.25 -1.00 0.00 0.00 179.01 180.69 2wby h LEU 810 N 0.36 0.56 -0.85 1.33 6.46 -1.10 0.45 115.31 122.53 2wby h LEU 810 Ca -0.12 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 2wby h LEU 810 Cb 1.68 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 41.42 2wby h LEU 810 CO 0.20 0.56 0.55 0.15 -0.62 0.00 0.00 178.44 179.28 2wby h PHE 811 N 0.53 1.08 -0.45 1.25 3.04 -1.25 -0.65 116.94 120.50 2wby h PHE 811 Ca 0.14 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.98 2wby h PHE 811 Cb 0.16 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 2wby h PHE 811 CO -0.00 0.69 -0.23 0.00 -2.02 0.00 0.00 178.31 176.75 2wby h ALA 812 N 1.30 0.75 -0.26 2.41 0.00 -0.84 -0.52 119.26 122.10 2wby h ALA 812 Ca 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wby h ALA 812 Cb -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2wby h ALA 812 CO -0.07 0.66 0.14 0.37 0.00 0.00 0.00 179.25 180.36 2wby h GLN 813 N 0.80 0.37 -0.50 0.00 5.75 -0.31 -0.78 115.11 120.44 2wby h GLN 813 Ca 0.10 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2wby h GLN 813 Cb 0.79 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 2wby h GLN 813 CO 0.07 0.34 0.05 0.82 -2.65 0.00 0.00 178.83 177.45 2wby h ILE 814 N 0.31 1.26 -0.00 2.39 2.04 -0.93 -3.01 117.51 119.56 2wby h ILE 814 Ca 0.09 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2wby h ILE 814 Cb 0.08 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2wby h ILE 814 CO -0.01 0.35 -0.16 2.30 0.00 0.00 0.00 178.15 180.63 2wby n ILE 815 N -4.37 0.00 0.32 -0.67 -5.35 -0.22 -4.52 119.36 104.55 2wby n ILE 815 Ca 0.01 -0.04 -0.17 0.00 -0.27 0.00 0.00 62.75 62.28 2wby n ILE 815 Cb 0.28 -0.09 -0.09 0.00 -1.74 0.00 0.00 39.64 38.01 2wby n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2wby h SER 816 N 0.41 -0.92 0.62 7.28 0.87 -0.99 -0.24 113.55 120.57 2wby h SER 816 Ca 0.00 0.06 -0.26 0.00 -1.23 0.00 0.00 61.79 60.36 2wby h SER 816 Cb 0.41 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2wby h SER 816 CO 0.00 -0.56 -1.18 1.05 -0.53 0.00 0.00 176.83 175.61 2wby h GLU 817 N -0.89 0.27 -0.70 2.24 -0.00 -1.79 -3.13 114.58 110.57 2wby h GLU 817 Ca -0.07 -0.42 0.18 0.00 -0.00 0.00 0.00 59.36 59.05 2wby h GLU 817 Cb 0.73 0.15 -0.04 0.00 -0.00 0.00 0.00 28.75 29.59 2wby h GLU 817 CO 0.06 1.18 0.49 -1.35 -0.00 0.00 0.00 179.01 179.38 2wby h PRO 818 N 0.09 0.16 -0.22 1.06 0.11 -1.78 0.37 132.00 131.78 2wby h PRO 818 Ca -0.12 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.80 2wby h PRO 818 Cb 1.90 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.97 2wby h PRO 818 CO 0.19 0.10 -0.59 0.00 -0.21 0.00 0.00 178.00 177.49 2wby h ALA 819 N 1.66 0.37 -0.01 -0.75 0.00 -0.99 0.90 119.26 120.45 2wby h ALA 819 Ca 0.34 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wby h ALA 819 Cb 1.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wby h ALA 819 CO -0.05 0.62 0.00 0.35 0.00 0.00 0.00 179.25 180.17 2wby h PHE 820 N 0.54 0.02 -0.08 0.00 3.57 -1.36 0.23 116.94 119.87 2wby h PHE 820 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2wby h PHE 820 Cb 1.21 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 2wby h PHE 820 CO 0.08 0.18 -0.15 -0.97 -2.23 0.00 0.00 178.31 175.22 2wby h ASN 821 N -0.15 0.12 0.00 0.41 -0.73 -0.11 -1.51 115.58 113.61 2wby h ASN 821 Ca 0.00 -0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.01 2wby h ASN 821 Cb 0.17 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 2wby h ASN 821 CO -0.00 0.29 -0.77 0.74 -0.37 0.00 0.00 177.43 177.32 2wby h THR 822 N 0.12 1.16 0.00 -3.57 2.02 -0.67 -0.01 112.91 111.97 2wby h THR 822 Ca 0.02 -2.16 -0.13 0.00 0.77 0.00 0.00 66.41 64.91 2wby h THR 822 Cb 0.35 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 2wby h THR 822 CO 0.02 0.39 -0.61 -0.07 0.37 0.00 0.00 175.52 175.62 2wby h LEU 823 N -1.00 0.00 0.00 2.58 -0.00 -0.56 -1.89 115.31 114.44 2wby h LEU 823 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2wby h LEU 823 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2wby h LEU 823 CO -0.13 0.61 0.00 -1.14 -0.00 0.00 0.00 178.44 177.79 2wby n ARG 824 N -3.35 0.00 -0.20 1.13 0.63 -0.59 -1.39 116.66 112.89 2wby n ARG 824 Ca 0.01 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.93 2wby n ARG 824 Cb 0.74 -0.31 0.09 0.00 0.45 0.00 0.00 32.46 33.43 2wby n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2wby h THR 825 N 0.00 0.84 0.00 5.15 2.02 -1.43 1.13 112.91 120.63 2wby h THR 825 Ca 0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2wby h THR 825 Cb 0.00 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2wby h THR 825 CO 0.00 0.09 -0.04 0.11 0.37 0.00 0.00 175.52 176.05 2wby h LYS 826 N 0.47 0.00 0.00 6.66 1.57 -1.08 -3.40 116.57 120.79 2wby h LYS 826 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2wby h LYS 826 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2wby h LYS 826 CO -0.25 0.60 -1.02 0.39 -0.57 0.00 0.00 179.45 178.60 2wby n GLU 827 N -4.67 0.35 -3.75 3.15 1.02 -0.71 -4.96 120.64 111.07 2wby n GLU 827 Ca -0.07 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.84 2wby n GLU 827 Cb 0.30 -1.63 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 2wby n GLU 827 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wby n GLN 828 N -2.10 -5.93 0.22 3.49 1.13 0.39 -4.83 117.38 109.75 2wby n GLN 828 Ca 0.01 0.67 0.08 0.00 -1.94 0.00 0.00 57.00 55.82 2wby n GLN 828 Cb 0.46 -5.51 0.52 0.00 0.11 0.00 0.00 30.24 25.82 2wby n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wby h LEU 829 N -2.13 0.00 0.00 1.08 3.38 -1.42 -3.47 115.31 112.75 2wby h LEU 829 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2wby h LEU 829 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2wby h LEU 829 CO 0.60 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.99 2wby n GLY 830 N -0.44 -0.82 0.07 0.83 0.00 -1.26 -4.17 105.19 99.40 2wby n GLY 830 Ca -0.01 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2wby n GLY 830 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wby h TYR 831 N 0.00 -0.02 -3.60 1.61 3.20 -1.82 -3.42 116.97 112.93 2wby h TYR 831 Ca 0.00 -0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.31 2wby h TYR 831 Cb 0.00 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.21 2wby h TYR 831 CO 0.00 0.69 0.92 0.42 -1.64 0.00 0.00 178.16 178.55 2wby s ILE 832 N -3.24 4.24 -0.10 1.81 1.01 -1.26 -4.98 121.20 118.67 2wby s ILE 832 Ca -0.17 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 2wby s ILE 832 Cb -0.01 -4.54 0.04 0.00 0.01 0.00 0.00 42.46 37.96 2wby s ILE 832 CO 0.66 -0.89 0.02 -0.69 0.00 0.00 0.00 174.94 174.04 2wby s VAL 833 N 4.36 0.35 0.05 2.92 1.01 -1.26 -2.44 120.40 125.39 2wby s VAL 833 Ca 0.48 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.48 2wby s VAL 833 Cb -0.09 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2wby s VAL 833 CO 0.29 0.11 -0.14 0.12 0.00 0.00 0.00 175.10 175.48 2wby s PHE 834 N 1.97 1.19 0.04 5.22 5.36 0.18 -4.88 117.98 127.07 2wby s PHE 834 Ca 0.03 -0.38 -0.06 0.00 -0.96 0.00 0.00 56.93 55.56 2wby s PHE 834 Cb -0.14 -0.70 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 2wby s PHE 834 CO -0.06 0.04 0.11 -1.54 -1.46 0.00 0.00 175.22 172.31 2wby s SER 835 N -1.30 0.17 0.00 6.13 1.04 -1.26 -0.52 113.70 117.95 2wby s SER 835 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2wby s SER 835 Cb -0.08 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2wby s SER 835 CO 0.01 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2wby n GLY 836 N 0.69 -0.79 3.77 7.32 0.00 -0.26 -4.98 105.19 110.93 2wby n GLY 836 Ca -0.19 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2wby n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wby s PRO 837 N -1.99 4.26 -0.13 1.61 0.02 -1.26 -0.73 135.00 136.78 2wby s PRO 837 Ca 0.00 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.35 2wby s PRO 837 Cb 0.00 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 2wby s PRO 837 CO 0.00 -0.34 -0.07 0.50 -0.33 0.00 0.00 177.00 176.76 2wby s ARG 838 N -1.66 3.42 -0.11 5.54 3.52 0.17 -4.80 118.95 125.03 2wby s ARG 838 Ca 0.52 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 2wby s ARG 838 Cb -0.42 -2.78 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 2wby s ARG 838 CO 0.55 0.32 -0.09 1.03 -0.81 0.00 0.00 175.30 176.29 2wby s ARG 839 N 0.13 1.66 -0.12 5.12 3.00 -1.26 -1.26 118.95 126.23 2wby s ARG 839 Ca -0.03 -0.33 -0.14 0.00 0.00 0.00 0.00 55.73 55.24 2wby s ARG 839 Cb -0.14 -1.61 0.04 0.00 0.00 0.00 0.00 34.95 33.23 2wby s ARG 839 CO 0.03 -0.20 0.38 0.00 0.00 0.00 0.00 175.30 175.51 2wby s ALA 840 N 1.45 -0.94 -1.50 2.13 0.00 -0.25 -4.95 121.76 117.71 2wby s ALA 840 Ca 0.01 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 2wby s ALA 840 Cb -0.13 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2wby s ALA 840 CO -0.06 -0.20 0.20 0.09 0.00 0.00 0.00 175.76 175.79 2wby n ASN 841 N 2.55 -5.26 0.00 0.00 3.02 -1.26 -0.23 115.26 114.07 2wby n ASN 841 Ca -0.15 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2wby n ASN 841 Cb 0.57 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 2wby n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wby n GLY 842 N -1.11 1.17 3.82 7.41 0.00 -1.26 -4.51 105.19 110.71 2wby n GLY 842 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 2wby n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wby s ILE 843 N -3.48 3.21 0.31 -0.61 -1.09 0.68 -0.14 121.20 120.08 2wby s ILE 843 Ca 0.00 -1.46 -0.11 0.00 -2.23 0.00 0.00 60.65 56.85 2wby s ILE 843 Cb 0.00 -3.09 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 2wby s ILE 843 CO 0.00 -0.14 0.57 0.00 -1.23 0.00 0.00 174.94 174.14 2wby s GLN 844 N -3.98 1.84 0.00 2.79 -2.07 -0.97 -1.09 119.66 116.19 2wby s GLN 844 Ca 0.41 -1.43 0.00 0.00 -1.82 0.00 0.00 55.36 52.52 2wby s GLN 844 Cb -0.04 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.39 2wby s GLN 844 CO 0.26 -0.80 0.00 0.41 -1.32 0.00 0.00 175.29 173.84 2wby n GLY 845 N -0.48 -1.33 3.70 2.60 0.00 -0.39 -0.85 105.19 108.45 2wby n GLY 845 Ca -0.03 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 2wby n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wby s LEU 846 N 0.00 3.94 0.11 0.99 0.20 0.05 0.43 118.68 124.39 2wby s LEU 846 Ca 0.00 0.19 0.05 0.00 0.69 0.00 0.00 54.13 55.06 2wby s LEU 846 Cb 0.00 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 2wby s LEU 846 CO 0.00 0.26 -0.13 0.00 -0.29 0.00 0.00 176.35 176.18 2wby s ARG 847 N -0.12 0.96 -0.08 1.98 1.70 0.09 -0.48 118.95 123.01 2wby s ARG 847 Ca 0.08 -1.18 0.04 0.00 -0.47 0.00 0.00 55.73 54.20 2wby s ARG 847 Cb -0.12 -0.83 0.00 0.00 -0.57 0.00 0.00 34.95 33.43 2wby s ARG 847 CO 0.01 0.16 -0.20 -0.06 -1.08 0.00 0.00 175.30 174.13 2wby s PHE 848 N -2.03 2.14 -0.08 5.89 0.40 -0.43 -1.10 117.98 122.78 2wby s PHE 848 Ca 0.06 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 2wby s PHE 848 Cb -0.05 -1.46 0.01 0.00 0.51 0.00 0.00 43.02 42.03 2wby s PHE 848 CO 0.02 -0.34 -0.14 0.42 0.70 0.00 0.00 175.22 175.88 2wby s ILE 849 N 0.38 1.35 0.02 0.64 1.01 0.32 -1.11 121.20 123.80 2wby s ILE 849 Ca -0.15 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2wby s ILE 849 Cb -0.16 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 2wby s ILE 849 CO 0.06 0.41 -0.03 -0.63 0.00 0.00 0.00 174.94 174.75 2wby s ILE 850 N 0.75 0.19 -0.07 2.92 1.01 -0.89 0.51 121.20 125.62 2wby s ILE 850 Ca -0.12 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2wby s ILE 850 Cb -0.16 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2wby s ILE 850 CO 0.03 -0.26 -0.13 -1.58 0.00 0.00 0.00 174.94 173.00 2wby s GLN 851 N -0.90 1.80 0.25 2.79 0.74 -1.02 -1.51 119.66 121.80 2wby s GLN 851 Ca -0.08 -0.44 -0.15 0.00 0.05 0.00 0.00 55.36 54.74 2wby s GLN 851 Cb -0.06 -1.49 0.00 0.00 1.10 0.00 0.00 33.01 32.56 2wby s GLN 851 CO -0.00 0.02 0.52 0.45 -0.55 0.00 0.00 175.29 175.73 2wby s SER 852 N 0.71 -0.13 0.04 6.67 0.15 -0.41 -4.16 113.70 116.56 2wby s SER 852 Ca -0.14 -0.84 0.18 0.00 0.70 0.00 0.00 55.95 55.86 2wby s SER 852 Cb -0.16 0.61 -0.16 0.00 -1.71 0.00 0.00 66.02 64.61 2wby s SER 852 CO 0.03 -1.17 0.73 1.21 1.20 0.00 0.00 173.24 175.24 2wby n GLU 853 N -0.39 0.63 -2.29 5.44 2.13 -1.26 0.41 120.64 125.30 2wby n GLU 853 Ca -0.03 0.14 -0.38 0.00 0.66 0.00 0.00 57.16 57.55 2wby n GLU 853 Cb 0.61 -1.75 -0.02 0.00 0.27 0.00 0.00 31.44 30.56 2wby n GLU 853 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2wby s LYS 854 N -2.99 4.04 0.43 5.31 -0.14 -1.26 -4.74 119.74 120.39 2wby s LYS 854 Ca -0.04 1.83 -0.24 0.00 -1.36 0.00 0.00 55.97 56.16 2wby s LYS 854 Cb 0.09 -2.65 -0.08 0.00 -1.68 0.00 0.00 37.83 33.51 2wby s LYS 854 CO 0.82 -0.33 1.19 -1.25 -0.76 0.00 0.00 175.35 175.02 2wby s PRO 855 N -2.33 3.87 0.30 -1.68 0.04 -1.26 -4.64 135.00 129.30 2wby s PRO 855 Ca 0.57 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.52 2wby s PRO 855 Cb -0.30 -2.55 0.77 0.00 0.04 0.00 0.00 34.50 32.45 2wby s PRO 855 CO 0.38 -0.48 1.64 -1.35 0.04 0.00 0.00 177.00 177.22 2wby h PRO 856 N 2.34 0.18 0.00 0.56 0.11 -1.92 0.19 132.00 133.46 2wby h PRO 856 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2wby h PRO 856 Cb 1.24 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wby h PRO 856 CO 0.61 0.12 -0.04 0.45 -0.21 0.00 0.00 178.00 178.93 2wby h HIS 857 N 0.19 0.00 -0.01 0.65 3.86 -1.99 0.12 115.15 117.96 2wby h HIS 857 Ca 0.58 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.79 2wby h HIS 857 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2wby h HIS 857 CO -0.26 0.04 -0.02 -0.92 0.86 0.00 0.00 177.93 177.63 2wby h TYR 858 N 0.00 0.04 -0.77 2.45 3.20 -0.99 -3.05 116.97 117.86 2wby h TYR 858 Ca -0.00 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.03 2wby h TYR 858 Cb 0.07 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 38.20 2wby h TYR 858 CO 0.00 0.58 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.01 2wby h LEU 859 N -0.51 -0.41 -0.15 2.82 4.07 -0.93 -1.32 115.31 118.87 2wby h LEU 859 Ca 0.00 0.21 0.05 0.00 0.08 0.00 0.00 57.88 58.22 2wby h LEU 859 Cb 0.58 0.37 -0.07 0.00 1.08 0.00 0.00 40.66 42.63 2wby h LEU 859 CO 0.00 -0.20 -0.33 -0.33 -1.08 0.00 0.00 178.44 176.50 2wby h GLU 860 N 0.08 -0.38 -0.37 1.13 4.39 -0.76 -0.90 114.58 117.77 2wby h GLU 860 Ca 0.42 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2wby h GLU 860 Cb 0.73 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2wby h GLU 860 CO -0.70 -0.25 0.23 0.66 -1.16 0.00 0.00 179.01 177.79 2wby h SER 861 N -0.39 0.43 -0.14 1.42 4.64 -1.24 -0.28 113.55 117.99 2wby h SER 861 Ca 0.10 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 2wby h SER 861 Cb 0.55 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2wby h SER 861 CO -0.37 0.33 -0.49 0.03 -0.87 0.00 0.00 176.83 175.46 2wby h ARG 862 N 0.51 0.71 -0.61 4.77 2.47 -0.50 -0.44 114.38 121.28 2wby h ARG 862 Ca 0.14 -0.41 -0.08 0.00 -1.26 0.00 0.00 59.98 58.36 2wby h ARG 862 Cb -0.03 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2wby h ARG 862 CO -0.03 1.03 0.07 0.28 0.56 0.00 0.00 179.97 181.89 2wby h VAL 863 N 0.56 1.26 -0.67 2.04 2.07 -0.39 0.98 116.25 122.10 2wby h VAL 863 Ca 0.03 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2wby h VAL 863 Cb 1.05 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2wby h VAL 863 CO 0.10 0.39 0.22 -0.33 0.02 0.00 0.00 177.57 177.97 2wby h GLU 864 N 0.94 1.04 -0.55 1.57 4.39 -0.88 0.68 114.58 121.77 2wby h GLU 864 Ca 0.18 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2wby h GLU 864 Cb 0.46 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2wby h GLU 864 CO 0.02 0.90 0.20 0.00 -1.16 0.00 0.00 179.01 178.97 2wby h ALA 865 N 1.09 1.33 -0.27 3.43 0.00 -0.86 -2.36 119.26 121.62 2wby h ALA 865 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2wby h ALA 865 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wby h ALA 865 CO -0.01 0.50 0.08 0.35 0.00 0.00 0.00 179.25 180.17 2wby h PHE 866 N 0.79 0.44 -0.69 0.00 3.57 0.35 -2.38 116.94 119.02 2wby h PHE 866 Ca 0.19 -0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.76 2wby h PHE 866 Cb 0.18 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 38.71 2wby h PHE 866 CO 0.01 0.47 0.26 -0.07 -2.23 0.00 0.00 178.31 176.75 2wby h LEU 867 N 0.27 0.24 -0.20 0.59 4.07 -0.54 -0.04 115.31 119.70 2wby h LEU 867 Ca 0.09 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 2wby h LEU 867 Cb 0.25 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2wby h LEU 867 CO -0.00 0.11 0.11 0.40 -1.08 0.00 0.00 178.44 177.98 2wby h ILE 868 N 0.42 1.11 -0.90 1.22 2.04 -1.30 -2.52 117.51 117.58 2wby h ILE 868 Ca 0.36 -0.28 0.25 0.00 1.00 0.00 0.00 64.86 66.19 2wby h ILE 868 Cb 0.51 0.93 -0.15 0.00 -0.74 0.00 0.00 36.82 37.37 2wby h ILE 868 CO -0.37 0.10 0.21 0.74 0.00 0.00 0.00 178.15 178.84 2wby h THR 869 N 0.22 0.25 -0.44 -0.27 2.02 -0.76 -2.21 112.91 111.72 2wby h THR 869 Ca 0.07 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 2wby h THR 869 Cb 0.06 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 2wby h THR 869 CO -0.01 0.03 0.03 0.24 0.37 0.00 0.00 175.52 176.18 2wby h MET 870 N 0.16 0.70 -0.10 6.66 2.86 -0.62 -0.97 114.93 123.62 2wby h MET 870 Ca 0.57 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 58.00 2wby h MET 870 Cb 1.19 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 2wby h MET 870 CO -0.70 0.69 -0.13 1.49 1.06 0.00 0.00 176.91 179.32 2wby h GLU 871 N 0.66 0.26 -0.52 1.72 4.81 -1.13 -0.30 114.58 120.07 2wby h GLU 871 Ca 0.14 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2wby h GLU 871 Cb 0.37 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 2wby h GLU 871 CO 0.01 0.71 0.19 -0.22 -0.73 0.00 0.00 179.01 178.97 2wby h LYS 872 N -0.17 0.36 -0.74 1.92 1.63 -1.42 -0.86 116.57 117.29 2wby h LYS 872 Ca 0.01 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2wby h LYS 872 Cb 0.68 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.19 2wby h LYS 872 CO 0.03 0.24 0.39 1.03 -3.45 0.00 0.00 179.45 177.69 2wby h SER 873 N 0.37 0.93 -0.36 4.20 0.87 -1.09 0.12 113.55 118.59 2wby h SER 873 Ca 0.25 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 2wby h SER 873 Cb 0.28 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2wby h SER 873 CO -0.25 0.76 -0.19 0.40 -0.53 0.00 0.00 176.83 177.01 2wby h ILE 874 N 1.04 1.27 0.28 2.23 2.04 0.12 -1.91 117.51 122.57 2wby h ILE 874 Ca 0.26 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2wby h ILE 874 Cb 0.05 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2wby h ILE 874 CO -0.04 0.45 -0.14 -0.33 0.00 0.00 0.00 178.15 178.09 2wby h GLU 875 N 0.73 -0.37 0.00 2.37 5.08 -0.24 -3.10 114.58 119.06 2wby h GLU 875 Ca 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wby h GLU 875 Cb 0.72 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2wby h GLU 875 CO 0.06 -0.24 0.00 -0.25 -1.00 0.00 0.00 179.01 177.57 2wby n ASP 876 N -5.26 0.27 -4.86 1.42 10.43 0.31 -4.85 116.55 114.02 2wby n ASP 876 Ca -0.10 0.58 -0.31 0.00 2.57 0.00 0.00 54.79 57.53 2wby n ASP 876 Cb 0.17 -0.63 -0.03 0.00 1.84 0.00 0.00 41.12 42.47 2wby n ASP 876 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wby s MET 877 N -3.16 3.86 0.53 -1.24 0.23 -0.73 -5.02 119.30 113.77 2wby s MET 877 Ca 0.04 0.67 -0.16 0.00 -1.03 0.00 0.00 55.69 55.20 2wby s MET 877 Cb 0.08 -2.30 -0.07 0.00 -1.53 0.00 0.00 34.83 31.01 2wby s MET 877 CO 0.26 -0.11 1.00 0.95 -2.03 0.00 0.00 175.02 175.09 2wby s THR 878 N -2.44 4.38 0.29 3.16 -4.23 -1.26 -4.88 115.64 110.66 2wby s THR 878 Ca 0.54 1.15 0.02 0.00 -1.18 0.00 0.00 61.69 62.22 2wby s THR 878 Cb -0.10 -3.65 0.32 0.00 1.34 0.00 0.00 72.50 70.41 2wby s THR 878 CO 0.30 -0.65 1.63 -0.08 -0.54 0.00 0.00 174.62 175.29 2wby h GLU 879 N 0.84 0.16 -0.14 3.99 4.57 -1.97 0.46 114.58 122.49 2wby h GLU 879 Ca -0.47 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.52 2wby h GLU 879 Cb 1.19 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2wby h GLU 879 CO 0.61 0.11 -0.65 1.49 -1.18 0.00 0.00 179.01 179.39 2wby h GLU 880 N 0.17 0.53 -0.59 1.92 4.57 -1.98 -0.48 114.58 118.73 2wby h GLU 880 Ca 0.55 -0.39 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 2wby h GLU 880 Cb 1.12 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 2wby h GLU 880 CO -0.69 1.01 0.14 0.00 -1.18 0.00 0.00 179.01 178.29 2wby h ALA 881 N 0.90 1.15 -0.17 2.92 0.00 -1.34 -1.24 119.26 121.47 2wby h ALA 881 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2wby h ALA 881 Cb 1.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2wby h ALA 881 CO 0.12 0.58 0.06 0.35 0.00 0.00 0.00 179.25 180.36 2wby h PHE 882 N 0.87 0.11 0.00 0.00 3.57 -0.62 -2.02 116.94 118.85 2wby h PHE 882 Ca 0.19 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2wby h PHE 882 Cb 0.31 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2wby h PHE 882 CO 0.02 0.05 -0.05 1.96 -2.23 0.00 0.00 178.31 178.06 2wby h GLN 883 N 0.14 0.00 -0.18 1.11 1.08 -0.75 -2.24 115.11 114.27 2wby h GLN 883 Ca 0.07 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 2wby h GLN 883 Cb 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2wby h GLN 883 CO -0.08 0.05 -0.27 0.87 -0.95 0.00 0.00 178.83 178.46 2wby h LYS 884 N 0.00 0.50 -0.98 1.46 1.57 -0.51 -1.49 116.57 117.11 2wby h LYS 884 Ca -0.00 -0.30 0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2wby h LYS 884 Cb 0.19 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 2wby h LYS 884 CO 0.01 0.89 0.65 0.45 -0.57 0.00 0.00 179.45 180.87 2wby h HIS 885 N 0.15 1.21 -0.70 -1.35 3.86 -1.22 0.24 115.15 117.33 2wby h HIS 885 Ca 0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2wby h HIS 885 Cb 0.84 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 2wby h HIS 885 CO 0.09 0.70 0.44 0.82 0.86 0.00 0.00 177.93 180.83 2wby h ILE 886 N 1.24 1.19 -0.01 2.45 2.04 -1.13 -1.12 117.51 122.18 2wby h ILE 886 Ca 0.39 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 2wby h ILE 886 Cb 0.00 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2wby h ILE 886 CO -0.12 0.20 -0.55 -0.61 0.00 0.00 0.00 178.15 177.07 2wby h GLN 887 N 0.96 0.03 0.04 2.37 5.75 -0.39 0.25 115.11 124.11 2wby h GLN 887 Ca 0.25 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.63 2wby h GLN 887 Cb -0.06 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.50 2wby h GLN 887 CO -0.05 0.57 -0.42 0.00 -2.65 0.00 0.00 178.83 176.28 2wby h ALA 888 N 1.43 0.00 -0.85 3.38 0.00 -0.10 0.61 119.26 123.73 2wby h ALA 888 Ca -0.00 -0.55 0.09 0.00 0.00 0.00 0.00 54.91 54.44 2wby h ALA 888 Cb 0.97 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2wby h ALA 888 CO 0.07 0.19 0.51 1.25 0.00 0.00 0.00 179.25 181.27 2wby h LEU 889 N -0.48 0.75 0.31 0.00 6.46 -1.11 0.57 115.31 121.81 2wby h LEU 889 Ca -0.06 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 2wby h LEU 889 Cb 1.23 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.04 2wby h LEU 889 CO 0.08 0.44 -0.17 0.00 -0.62 0.00 0.00 178.44 178.18 2wby h ALA 890 N 1.45 -0.44 -0.94 1.25 0.00 -0.18 0.04 119.26 120.43 2wby h ALA 890 Ca 0.40 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.29 2wby h ALA 890 Cb 0.31 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2wby h ALA 890 CO -0.23 -0.75 0.59 0.82 0.00 0.00 0.00 179.25 179.69 2wby h ILE 891 N -0.44 1.04 -0.40 0.00 2.04 -0.62 -1.56 117.51 117.57 2wby h ILE 891 Ca -0.04 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2wby h ILE 891 Cb 0.36 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2wby h ILE 891 CO 0.05 0.19 0.19 0.03 0.00 0.00 0.00 178.15 178.61 2wby h ARG 892 N 1.06 0.59 0.00 2.37 3.08 -0.10 -1.77 114.38 119.61 2wby h ARG 892 Ca 0.42 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.29 2wby h ARG 892 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2wby h ARG 892 CO -0.19 0.52 -0.41 0.00 -1.07 0.00 0.00 179.97 178.83 2wby h ARG 893 N 0.51 0.00 -0.02 0.04 2.47 -0.78 -3.17 114.38 113.43 2wby h ARG 893 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2wby h ARG 893 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2wby h ARG 893 CO -0.02 0.41 -0.10 1.28 0.56 0.00 0.00 179.97 182.10 2wby n LEU 894 N -4.03 2.25 -4.64 3.04 4.77 -0.61 -4.90 117.00 112.88 2wby n LEU 894 Ca -0.02 -0.76 -0.49 0.00 -0.03 0.00 0.00 56.01 54.72 2wby n LEU 894 Cb 0.44 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 2wby n LEU 894 CO 0.39 0.38 1.57 -0.67 -1.33 0.00 0.00 177.39 177.73 2wby n ASP 895 N 0.63 3.11 -4.75 -1.43 2.03 -0.70 -4.89 116.55 110.55 2wby n ASP 895 Ca 0.15 0.81 -0.41 0.00 0.52 0.00 0.00 54.79 55.86 2wby n ASP 895 Cb 0.49 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.52 2wby n ASP 895 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wby s LYS 896 N 4.63 4.36 0.27 -0.67 1.02 -1.26 -4.99 119.74 123.11 2wby s LYS 896 Ca 0.97 2.17 -0.30 0.00 0.02 0.00 0.00 55.97 58.82 2wby s LYS 896 Cb -0.72 -3.12 -0.13 0.00 -0.52 0.00 0.00 37.83 33.33 2wby s LYS 896 CO 0.51 -0.24 1.39 -2.30 -0.92 0.00 0.00 175.35 173.79 2wby n PRO 897 N 1.75 2.13 0.00 -1.68 -0.02 -1.26 -4.92 135.00 130.99 2wby n PRO 897 Ca 0.03 0.75 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 2wby n PRO 897 Cb 0.42 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.39 2wby n PRO 897 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wby n LYS 898 N 1.65 0.19 -3.95 -0.52 4.76 -1.26 -4.95 118.16 114.08 2wby n LYS 898 Ca 0.09 -0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.34 2wby n LYS 898 Cb 0.33 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.96 2wby n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2wby s LYS 899 N -2.93 0.92 0.19 1.97 -2.85 -1.26 -4.11 119.74 111.68 2wby s LYS 899 Ca 0.09 -1.12 -0.18 0.00 -1.00 0.00 0.00 55.97 53.76 2wby s LYS 899 Cb 0.16 0.32 0.16 0.00 -2.06 0.00 0.00 37.83 36.41 2wby s LYS 899 CO 0.83 -0.30 1.61 1.25 0.10 0.00 0.00 175.35 178.85 2wby h LEU 900 N 2.75 -0.84 -0.43 2.77 5.85 -1.95 -1.38 115.31 122.08 2wby h LEU 900 Ca -0.33 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2wby h LEU 900 Cb 1.20 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.69 2wby h LEU 900 CO 0.55 -0.26 0.00 0.77 -0.34 0.00 0.00 178.44 179.16 2wby h SER 901 N -0.11 0.00 0.35 1.25 4.64 -1.98 0.00 113.55 117.70 2wby h SER 901 Ca 0.25 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.33 2wby h SER 901 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2wby h SER 901 CO -0.62 0.00 -0.99 0.00 -0.87 0.00 0.00 176.83 174.36 2wby h ALA 902 N 2.30 0.32 -0.33 5.18 0.00 -1.68 -0.53 119.26 124.52 2wby h ALA 902 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 2wby h ALA 902 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wby h ALA 902 CO 0.00 0.82 -0.39 1.49 0.00 0.00 0.00 179.25 181.17 2wby h GLU 903 N 0.22 0.79 -0.64 0.00 4.81 -0.91 -2.57 114.58 116.27 2wby h GLU 903 Ca -0.09 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2wby h GLU 903 Cb 1.63 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.00 2wby h GLU 903 CO 0.17 1.04 0.32 0.77 -0.73 0.00 0.00 179.01 180.57 2wby h SER 904 N 0.64 0.84 -0.64 1.04 0.02 -0.92 -2.28 113.55 112.25 2wby h SER 904 Ca 0.05 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2wby h SER 904 Cb 0.95 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 2wby h SER 904 CO 0.09 0.73 0.39 0.00 -1.14 0.00 0.00 176.83 176.90 2wby h ALA 905 N 1.14 0.81 -0.51 3.77 0.00 -1.01 0.20 119.26 123.66 2wby h ALA 905 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2wby h ALA 905 Cb 0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2wby h ALA 905 CO -0.03 0.28 0.24 0.87 0.00 0.00 0.00 179.25 180.61 2wby h LYS 906 N 0.86 0.45 -0.43 0.00 1.57 -1.02 0.39 116.57 118.39 2wby h LYS 906 Ca 0.23 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2wby h LYS 906 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2wby h LYS 906 CO -0.04 0.29 -0.19 1.88 -0.57 0.00 0.00 179.45 180.83 2wby h TYR 907 N 0.46 1.02 -0.50 -1.35 0.99 -0.81 -2.58 116.97 114.21 2wby h TYR 907 Ca 0.23 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2wby h TYR 907 Cb 0.18 -0.24 -0.02 0.00 1.00 0.00 0.00 36.73 37.65 2wby h TYR 907 CO -0.12 1.03 0.28 2.35 -0.00 0.00 0.00 178.16 181.70 2wby h TRP 908 N 0.72 0.66 -0.52 4.88 -0.00 -0.29 -0.96 115.95 120.45 2wby h TRP 908 Ca 0.10 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.92 2wby h TRP 908 Cb 0.75 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.67 2wby h TRP 908 CO 0.05 0.46 0.07 0.78 -0.00 0.00 0.00 178.44 179.81 2wby h GLY 909 N 0.76 0.94 2.00 2.65 0.00 -0.54 -0.68 103.07 108.20 2wby h GLY 909 Ca 0.18 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2wby h GLY 909 CO -0.03 0.59 -0.11 0.83 0.00 0.00 0.00 176.54 177.82 2wby h GLU 910 N 0.75 0.00 0.00 4.80 4.39 -0.90 -2.13 114.58 121.49 2wby h GLU 910 Ca 0.16 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 2wby h GLU 910 Cb 0.42 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2wby h GLU 910 CO 0.01 0.11 -0.75 0.82 -1.16 0.00 0.00 179.01 178.03 2wby h ILE 911 N 0.00 0.97 -0.52 3.13 2.04 -0.31 0.16 117.51 122.98 2wby h ILE 911 Ca -0.00 -2.00 -0.02 0.00 1.00 0.00 0.00 64.86 63.84 2wby h ILE 911 Cb 0.19 2.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2wby h ILE 911 CO 0.01 0.33 0.24 0.16 0.00 0.00 0.00 178.15 178.89 2wby h ILE 912 N -1.00 1.18 0.00 -0.67 3.07 -1.20 0.28 117.51 119.17 2wby h ILE 912 Ca -0.19 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.71 2wby h ILE 912 Cb 1.04 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 2wby h ILE 912 CO -0.12 0.21 0.00 -1.54 -1.05 0.00 0.00 178.15 175.65 2wby n SER 913 N -4.37 0.00 -2.49 2.16 3.41 -0.80 -4.91 113.62 106.61 2wby n SER 913 Ca 0.04 0.31 -0.17 0.00 -0.26 0.00 0.00 58.87 58.79 2wby n SER 913 Cb 0.13 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 2wby n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wby n GLN 914 N -1.42 -2.19 -0.01 4.33 6.02 1.00 -4.85 117.38 120.25 2wby n GLN 914 Ca 0.07 0.80 -0.00 0.00 -0.01 0.00 0.00 57.00 57.85 2wby n GLN 914 Cb 0.21 -5.45 -0.12 0.00 1.02 0.00 0.00 30.24 25.90 2wby n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wby n GLN 915 N -3.01 0.65 -4.36 -1.09 6.02 -0.94 -4.05 117.38 110.59 2wby n GLN 915 Ca -0.19 0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.48 2wby n GLN 915 Cb 0.64 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 2wby n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wby n TYR 916 N -2.71 -1.46 -2.85 1.08 4.02 0.53 -1.31 117.16 114.46 2wby n TYR 916 Ca -0.15 0.73 -0.43 0.00 -0.01 0.00 0.00 57.90 58.04 2wby n TYR 916 Cb 0.86 -2.38 0.00 0.00 -0.02 0.00 0.00 39.34 37.81 2wby n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wby n ASN 917 N -2.54 5.54 0.26 7.72 2.85 -1.26 -4.60 115.26 123.23 2wby n ASN 917 Ca 0.10 -3.14 0.13 0.00 -0.11 0.00 0.00 54.58 51.57 2wby n ASN 917 Cb 0.47 -1.43 0.71 0.00 1.24 0.00 0.00 39.78 40.77 2wby n ASN 917 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 2wby h PHE 918 N 6.19 0.00 -0.58 1.20 0.04 -1.96 -1.96 116.94 119.87 2wby h PHE 918 Ca 0.29 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.01 2wby h PHE 918 Cb 0.73 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 2wby h PHE 918 CO 1.06 0.12 0.06 -3.47 -0.60 0.00 0.00 178.31 175.48 2wby n ASP 919 N -3.50 5.31 -0.34 2.17 4.64 -1.26 -4.67 116.55 118.90 2wby n ASP 919 Ca -0.01 -3.03 0.06 0.00 -1.38 0.00 0.00 54.79 50.43 2wby n ASP 919 Cb 0.27 -0.69 0.22 0.00 -1.04 0.00 0.00 41.12 39.88 2wby n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2wby h ARG 920 N 3.42 0.88 -0.82 -0.67 2.43 -1.76 -2.55 114.38 115.29 2wby h ARG 920 Ca 0.06 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 2wby h ARG 920 Cb 2.01 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 31.30 2wby h ARG 920 CO 0.52 0.58 0.51 -0.44 -1.51 0.00 0.00 179.97 179.63 2wby h ASP 921 N 0.90 0.81 -0.12 -3.80 3.32 -1.85 0.38 116.42 116.05 2wby h ASP 921 Ca 0.47 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.34 2wby h ASP 921 Cb 0.49 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2wby h ASP 921 CO -0.28 0.52 -0.67 0.78 -1.72 0.00 0.00 179.24 177.88 2wby h ASN 922 N 0.94 0.86 0.01 6.45 -0.26 -1.86 -1.79 115.58 119.93 2wby h ASN 922 Ca 0.36 -0.52 -0.00 0.00 -0.56 0.00 0.00 56.30 55.58 2wby h ASN 922 Cb 0.14 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 2wby h ASN 922 CO -0.16 1.30 -0.00 0.74 -1.06 0.00 0.00 177.43 178.24 2wby h THR 923 N 0.54 1.17 -0.39 2.81 2.02 -1.03 -0.18 112.91 117.85 2wby h THR 923 Ca -0.02 -0.53 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 2wby h THR 923 Cb 1.27 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 2wby h THR 923 CO 0.14 0.14 -0.19 -0.33 0.37 0.00 0.00 175.52 175.64 2wby h GLU 924 N -0.23 0.76 -0.25 6.66 5.08 -0.32 -1.83 114.58 124.43 2wby h GLU 924 Ca -0.00 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 2wby h GLU 924 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wby h GLU 924 CO 0.00 0.89 -0.26 0.28 -1.00 0.00 0.00 179.01 178.92 2wby h VAL 925 N 0.67 1.31 -0.81 3.13 2.07 -1.28 0.70 116.25 122.04 2wby h VAL 925 Ca 0.10 -1.43 0.14 0.00 0.82 0.00 0.00 66.70 66.34 2wby h VAL 925 Cb 0.68 1.66 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 2wby h VAL 925 CO 0.05 0.45 0.38 0.00 0.02 0.00 0.00 177.57 178.47 2wby h ALA 926 N 0.68 1.18 -0.28 1.67 0.00 -0.78 -2.07 119.26 119.67 2wby h ALA 926 Ca 0.04 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 2wby h ALA 926 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2wby h ALA 926 CO 0.06 -0.13 -0.52 -0.92 0.00 0.00 0.00 179.25 177.74 2wby h TYR 927 N 0.56 1.06 -0.76 0.00 3.20 -0.93 -3.04 116.97 117.05 2wby h TYR 927 Ca 0.44 -0.38 0.17 0.00 3.14 0.00 0.00 58.73 62.10 2wby h TYR 927 Cb 0.63 -0.20 -0.11 0.00 1.54 0.00 0.00 36.73 38.59 2wby h TYR 927 CO -0.12 1.20 0.20 1.25 -1.64 0.00 0.00 178.16 179.05 2wby h LEU 928 N 0.62 0.04 -0.06 2.82 6.46 -0.35 -1.13 115.31 123.71 2wby h LEU 928 Ca 0.01 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2wby h LEU 928 Cb 1.13 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 2wby h LEU 928 CO 0.12 -0.04 0.00 0.29 -0.62 0.00 0.00 178.44 178.19 2wby n LYS 929 N -5.15 0.01 0.01 1.25 4.76 -0.83 -2.05 118.16 116.16 2wby n LYS 929 Ca 0.15 0.41 0.12 0.00 -2.87 0.00 0.00 58.31 56.12 2wby n LYS 929 Cb 0.49 -1.52 0.21 0.00 -1.84 0.00 0.00 35.03 32.37 2wby n LYS 929 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2wby n THR 930 N -1.54 0.07 -3.14 -0.18 -1.04 -0.43 -4.97 114.28 103.05 2wby n THR 930 Ca 0.01 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.64 2wby n THR 930 Cb 0.07 0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.72 2wby n THR 930 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wby s LEU 931 N -3.27 4.06 0.30 -4.42 1.02 -0.87 -5.09 118.68 110.41 2wby s LEU 931 Ca 0.10 1.24 0.07 0.00 0.02 0.00 0.00 54.13 55.56 2wby s LEU 931 Cb 0.17 -4.04 -0.06 0.00 0.02 0.00 0.00 46.19 42.27 2wby s LEU 931 CO 0.71 -0.21 -0.06 0.42 0.02 0.00 0.00 176.35 177.24 2wby s THR 932 N -2.00 1.79 0.28 5.49 -4.23 -1.26 -5.02 115.64 110.70 2wby s THR 932 Ca 0.53 -2.13 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2wby s THR 932 Cb -0.10 -2.55 0.31 0.00 1.34 0.00 0.00 72.50 71.50 2wby s THR 932 CO 0.19 -0.24 1.64 0.11 -0.54 0.00 0.00 174.62 175.77 2wby h LYS 933 N 2.18 0.16 -0.05 3.99 1.57 -1.98 -1.86 116.57 120.57 2wby h LYS 933 Ca -0.41 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2wby h LYS 933 Cb 1.24 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 2wby h LYS 933 CO 0.69 0.10 -0.53 0.93 -0.57 0.00 0.00 179.45 180.07 2wby h GLU 934 N 0.16 -0.61 -0.66 3.15 4.39 -1.98 0.60 114.58 119.63 2wby h GLU 934 Ca 0.52 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.39 2wby h GLU 934 Cb 1.02 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 29.68 2wby h GLU 934 CO -0.68 -0.41 -0.24 -0.44 -1.16 0.00 0.00 179.01 176.08 2wby h ASP 935 N -0.63 -0.85 -0.28 1.42 3.32 -1.74 0.91 116.42 118.56 2wby h ASP 935 Ca 0.02 0.22 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 2wby h ASP 935 Cb 0.70 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2wby h ASP 935 CO -0.39 -0.26 -0.33 0.40 -1.72 0.00 0.00 179.24 176.95 2wby h ILE 936 N -0.06 1.28 -0.90 0.35 1.08 -1.01 0.11 117.51 118.35 2wby h ILE 936 Ca 0.30 -1.48 0.02 0.00 -0.39 0.00 0.00 64.86 63.31 2wby h ILE 936 Cb 0.53 1.35 -0.05 0.00 -3.07 0.00 0.00 36.82 35.58 2wby h ILE 936 CO -0.71 0.49 0.59 0.40 -0.69 0.00 0.00 178.15 178.23 2wby h ILE 937 N 0.68 1.18 0.08 -0.67 1.08 0.20 -1.11 117.51 118.95 2wby h ILE 937 Ca 0.07 -0.40 -0.26 0.00 -0.39 0.00 0.00 64.86 63.88 2wby h ILE 937 Cb 0.87 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 2wby h ILE 937 CO 0.08 0.21 -1.27 0.07 -0.69 0.00 0.00 178.15 176.55 2wby h LYS 938 N 1.16 0.17 -0.48 2.37 2.10 -0.48 -0.84 116.57 120.58 2wby h LYS 938 Ca 0.35 -0.29 0.10 0.00 -2.00 0.00 0.00 60.65 58.80 2wby h LYS 938 Cb -0.05 0.11 -0.09 0.00 -0.90 0.00 0.00 32.23 31.29 2wby h LYS 938 CO -0.10 1.08 -0.12 0.35 -2.00 0.00 0.00 179.45 178.66 2wby h PHE 939 N 0.05 -0.27 -0.52 0.07 3.57 -0.69 0.87 116.94 120.01 2wby h PHE 939 Ca -0.13 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2wby h PHE 939 Cb 1.93 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.84 2wby h PHE 939 CO 0.04 -0.21 0.23 -0.92 -2.23 0.00 0.00 178.31 175.22 2wby h TYR 940 N -0.01 0.77 -0.28 0.41 5.03 -1.06 -0.01 116.97 121.83 2wby h TYR 940 Ca 0.23 -0.05 -0.12 0.00 2.58 0.00 0.00 58.73 61.37 2wby h TYR 940 Cb 0.36 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.39 2wby h TYR 940 CO -0.41 0.62 -0.35 0.87 -1.32 0.00 0.00 178.16 177.57 2wby h LYS 941 N 0.69 0.60 -0.12 1.82 1.57 -0.55 0.34 116.57 120.93 2wby h LYS 941 Ca 0.18 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.49 2wby h LYS 941 Cb 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2wby h LYS 941 CO -0.02 0.87 -0.69 1.49 -0.57 0.00 0.00 179.45 180.53 2wby h GLU 942 N 0.51 0.52 0.00 3.15 4.81 0.11 -3.39 114.58 120.29 2wby h GLU 942 Ca 0.05 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2wby h GLU 942 Cb 0.84 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.29 2wby h GLU 942 CO 0.07 1.02 -0.93 -1.33 -0.73 0.00 0.00 179.01 177.11 2wby n MET 943 N -3.89 0.85 0.00 1.92 0.00 -0.05 -1.67 117.12 114.28 2wby n MET 943 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2wby n MET 943 Cb 0.69 -0.96 0.00 0.00 0.00 0.00 0.00 33.22 32.94 2wby n MET 943 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wby n LEU 944 N -1.45 1.89 -4.71 4.03 4.77 0.17 -3.85 117.00 117.84 2wby n LEU 944 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2wby n LEU 944 Cb 0.06 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 2wby n LEU 944 CO 0.00 0.31 0.84 0.00 -1.33 0.00 0.00 177.39 177.21 2wby n ALA 945 N -2.29 0.75 -0.30 -1.18 0.00 0.97 -4.80 120.51 113.67 2wby n ALA 945 Ca 0.00 -0.09 0.23 0.00 0.00 0.00 0.00 53.44 53.58 2wby n ALA 945 Cb 0.48 -2.29 0.53 0.00 0.00 0.00 0.00 19.45 18.18 2wby n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wby h VAL 946 N 0.13 0.55 -0.54 0.00 3.04 -1.95 0.20 116.25 117.68 2wby h VAL 946 Ca -0.50 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2wby h VAL 946 Cb 1.33 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 2wby h VAL 946 CO 0.51 0.07 0.00 -0.90 -1.01 0.00 0.00 177.57 176.23 2wby n ASP 947 N -4.56 5.24 -4.74 3.17 3.85 -1.26 -5.00 116.55 113.25 2wby n ASP 947 Ca 0.24 -2.85 -0.42 0.00 -0.71 0.00 0.00 54.79 51.06 2wby n ASP 947 Cb 0.86 -0.64 -0.02 0.00 -1.35 0.00 0.00 41.12 39.98 2wby n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wby s ALA 948 N -2.58 3.82 0.57 2.12 0.00 0.69 -4.88 121.76 121.49 2wby s ALA 948 Ca 0.52 1.59 0.26 0.00 0.00 0.00 0.00 51.96 54.33 2wby s ALA 948 Cb 0.39 -3.67 1.63 0.00 0.00 0.00 0.00 23.12 21.47 2wby s ALA 948 CO 0.16 -0.98 2.17 -1.00 0.00 0.00 0.00 175.76 176.12 2wby h PRO 949 N 5.46 0.00 -0.09 0.00 0.13 -1.75 -2.84 132.00 132.91 2wby h PRO 949 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 2wby h PRO 949 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2wby h PRO 949 CO 0.85 0.00 -0.34 0.54 -0.23 0.00 0.00 178.00 178.82 2wby n ARG 950 N -4.01 1.65 -1.79 0.86 1.74 -0.67 -4.19 116.66 110.25 2wby n ARG 950 Ca -0.01 -3.20 -0.41 0.00 -0.77 0.00 0.00 57.85 53.46 2wby n ARG 950 Cb 0.18 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 2wby n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2wby s ARG 951 N -3.20 4.13 -0.24 5.56 3.52 -1.07 -4.70 118.95 122.95 2wby s ARG 951 Ca 0.39 2.56 -0.03 0.00 -0.13 0.00 0.00 55.73 58.53 2wby s ARG 951 Cb 0.37 -3.03 0.08 0.00 -1.56 0.00 0.00 34.95 30.81 2wby s ARG 951 CO -0.04 -0.62 0.09 -1.01 -0.81 0.00 0.00 175.30 172.90 2wby s HIS 952 N 0.01 0.84 -0.08 5.12 3.76 -1.26 -0.07 115.29 123.60 2wby s HIS 952 Ca 0.63 -0.96 0.04 0.00 -0.15 0.00 0.00 55.06 54.62 2wby s HIS 952 Cb -0.47 -1.09 -0.00 0.00 1.11 0.00 0.00 32.58 32.13 2wby s HIS 952 CO 0.48 -0.71 -0.21 0.21 -0.85 0.00 0.00 174.74 173.65 2wby s LYS 953 N 1.92 2.49 0.02 1.40 2.20 -0.76 0.04 119.74 127.05 2wby s LYS 953 Ca 0.05 -0.75 0.04 0.00 -0.36 0.00 0.00 55.97 54.94 2wby s LYS 953 Cb -0.17 -1.98 -0.02 0.00 -1.51 0.00 0.00 37.83 34.15 2wby s LYS 953 CO -0.20 0.20 -0.11 0.08 -0.36 0.00 0.00 175.35 174.96 2wby s VAL 954 N 0.25 0.87 -0.01 4.02 1.01 -0.53 -1.08 120.40 124.93 2wby s VAL 954 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2wby s VAL 954 Cb -0.16 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 2wby s VAL 954 CO 0.06 0.00 -0.09 -0.44 0.00 0.00 0.00 175.10 174.63 2wby s SER 955 N -0.90 1.00 -0.19 3.32 0.01 -0.07 -0.20 113.70 116.67 2wby s SER 955 Ca 0.00 -0.16 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 2wby s SER 955 Cb -0.07 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 2wby s SER 955 CO 0.01 0.10 -0.09 -0.69 0.41 0.00 0.00 173.24 172.98 2wby s VAL 956 N -0.20 3.13 -0.28 3.43 1.01 0.10 -1.01 120.40 126.58 2wby s VAL 956 Ca 0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2wby s VAL 956 Cb -0.03 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2wby s VAL 956 CO -0.00 0.47 0.08 -1.00 0.00 0.00 0.00 175.10 174.64 2wby s HIS 957 N 1.09 3.12 -0.33 5.22 3.76 0.11 -1.92 115.29 126.34 2wby s HIS 957 Ca 0.01 -0.75 -0.05 0.00 -0.15 0.00 0.00 55.06 54.12 2wby s HIS 957 Cb -0.15 -2.25 0.04 0.00 1.11 0.00 0.00 32.58 31.34 2wby s HIS 957 CO -0.02 -0.49 0.08 0.08 -0.85 0.00 0.00 174.74 173.54 2wby s VAL 958 N 1.55 3.56 0.34 -0.90 1.01 0.40 -0.69 120.40 125.67 2wby s VAL 958 Ca 0.04 -1.21 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 2wby s VAL 958 Cb -0.16 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 2wby s VAL 958 CO 0.03 -0.16 1.25 -0.76 0.00 0.00 0.00 175.10 175.46 2wby s LEU 959 N 1.36 4.38 0.66 3.92 1.43 0.22 -0.44 118.68 130.21 2wby s LEU 959 Ca -0.03 2.57 -0.18 0.00 -1.03 0.00 0.00 54.13 55.46 2wby s LEU 959 Cb -0.20 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 2wby s LEU 959 CO 0.02 -0.54 1.29 0.00 0.23 0.00 0.00 176.35 177.35 2wby s ALA 960 N -1.20 2.35 0.19 4.21 0.00 -1.17 -0.35 121.76 125.79 2wby s ALA 960 Ca 0.51 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.50 2wby s ALA 960 Cb -0.37 -3.55 0.17 0.00 0.00 0.00 0.00 23.12 19.36 2wby s ALA 960 CO 0.48 -1.64 1.34 -2.13 0.00 0.00 0.00 175.76 173.82 2wby n ARG 961 N -1.98 -0.23 0.13 0.00 0.63 -0.19 -2.51 116.66 112.51 2wby n ARG 961 Ca 0.16 1.33 0.00 0.00 -0.92 0.00 0.00 57.85 58.42 2wby n ARG 961 Cb 0.48 -1.97 0.06 0.00 0.45 0.00 0.00 32.46 31.48 2wby n ARG 961 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2wby h GLU 962 N 0.00 0.00 -6.98 -0.14 4.39 -1.87 -3.48 114.58 106.50 2wby h GLU 962 Ca 0.28 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.44 2wby h GLU 962 Cb 0.49 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.25 2wby h GLU 962 CO -0.85 0.63 0.64 -1.64 -1.16 0.00 0.00 179.01 176.63 2wby s MET 963 N -3.07 3.75 0.02 2.33 -1.94 -1.04 -4.96 119.30 114.38 2wby s MET 963 Ca 0.02 2.25 0.23 0.00 -1.71 0.00 0.00 55.69 56.47 2wby s MET 963 Cb 0.09 -2.64 0.08 0.00 2.01 0.00 0.00 34.83 34.37 2wby s MET 963 CO 0.76 -0.71 1.08 -0.40 -0.01 0.00 0.00 175.02 175.74 2wby n ASP 964 N -0.17 0.68 0.00 3.03 5.68 -1.26 -4.87 116.55 119.63 2wby n ASP 964 Ca 0.05 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 2wby n ASP 964 Cb 0.43 0.74 0.00 0.00 -1.14 0.00 0.00 41.12 41.16 2wby n ASP 964 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wby n SER 965 N -1.71 0.00 -3.58 -1.12 3.41 -1.26 -5.22 113.62 104.14 2wby n SER 965 Ca 0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 2wby n SER 965 Cb 0.38 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 2wby n SER 965 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2wby n ASN 979 N 0.00 2.21 -4.77 4.04 6.94 -1.26 -5.11 115.26 117.31 2wby n ASN 979 Ca 0.00 -2.12 -0.38 0.00 -0.02 0.00 0.00 54.58 52.06 2wby n ASN 979 Cb 0.00 0.04 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 2wby n ASN 979 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wby s LEU 980 N 0.00 4.36 1.06 -4.53 1.43 -1.26 -5.09 118.68 114.65 2wby s LEU 980 Ca 0.13 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 2wby s LEU 980 Cb -0.01 -2.63 0.19 0.00 0.03 0.00 0.00 46.19 43.77 2wby s LEU 980 CO 0.08 0.14 0.87 -1.54 0.23 0.00 0.00 176.35 176.13 2wby n SER 981 N 2.89 -1.14 -4.63 2.29 3.41 -1.26 -4.94 113.62 110.24 2wby n SER 981 Ca -0.10 0.10 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2wby n SER 981 Cb 0.52 -1.29 -0.07 0.00 -0.26 0.00 0.00 64.21 63.10 2wby n SER 981 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2wby s GLN 982 N -4.28 4.10 -0.01 4.33 2.00 -1.26 -4.98 119.66 119.56 2wby s GLN 982 Ca 0.65 0.41 -0.29 0.00 -2.00 0.00 0.00 55.36 54.13 2wby s GLN 982 Cb -0.23 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 29.91 2wby s GLN 982 CO 0.63 -0.35 0.93 0.00 -0.50 0.00 0.00 175.29 176.01 2wby s ALA 983 N 2.30 3.19 0.70 1.58 0.00 -1.26 -4.60 121.76 123.67 2wby s ALA 983 Ca 0.23 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 2wby s ALA 983 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2wby s ALA 983 CO 0.09 -0.20 1.08 -1.25 0.00 0.00 0.00 175.76 175.48 2wby s PRO 984 N 0.93 2.70 0.23 0.00 0.04 -1.26 -4.98 135.00 132.65 2wby s PRO 984 Ca 0.49 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2wby s PRO 984 Cb -0.21 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 2wby s PRO 984 CO 0.26 -1.31 1.40 0.00 0.04 0.00 0.00 177.00 177.40 2wby s ALA 985 N -2.72 3.59 0.13 8.56 0.00 -1.26 -4.99 121.76 125.08 2wby s ALA 985 Ca 0.62 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.89 2wby s ALA 985 Cb -0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2wby s ALA 985 CO 0.49 -0.67 0.02 -0.51 0.00 0.00 0.00 175.76 175.09 2wby s LEU 986 N -0.24 3.46 0.97 0.00 1.43 -1.26 -5.08 118.68 117.96 2wby s LEU 986 Ca 0.59 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 2wby s LEU 986 Cb -0.40 -2.15 0.17 0.00 0.03 0.00 0.00 46.19 43.85 2wby s LEU 986 CO 0.41 0.13 1.12 -2.16 0.23 0.00 0.00 176.35 176.08 2wby s PRO 987 N -2.66 0.67 0.05 1.29 0.04 -1.26 -4.96 135.00 128.16 2wby s PRO 987 Ca 0.27 0.35 -0.31 0.00 0.04 0.00 0.00 61.00 61.36 2wby s PRO 987 Cb -0.11 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 2wby s PRO 987 CO 0.19 -2.53 1.58 -1.14 0.04 0.00 0.00 177.00 175.14 2wby s GLN 988 N -5.15 4.22 0.57 4.56 2.00 -1.26 -5.00 119.66 119.60 2wby s GLN 988 Ca 0.65 2.23 -0.15 0.00 -2.00 0.00 0.00 55.36 56.08 2wby s GLN 988 Cb -0.16 -3.60 -0.05 0.00 0.80 0.00 0.00 33.01 30.00 2wby s GLN 988 CO 0.55 -0.69 1.03 -1.25 -0.50 0.00 0.00 175.29 174.43 2wby s PRO 989 N 2.61 3.56 -0.26 1.67 0.04 -1.26 -4.90 135.00 136.47 2wby s PRO 989 Ca 0.71 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.55 2wby s PRO 989 Cb -0.37 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 2wby s PRO 989 CO 0.31 -0.60 0.87 -2.00 0.04 0.00 0.00 177.00 175.61 2wby s GLU 990 N -4.24 4.15 -0.18 4.56 2.12 -0.38 -4.91 118.70 119.82 2wby s GLU 990 Ca 0.61 0.95 -0.27 0.00 0.36 0.00 0.00 54.97 56.61 2wby s GLU 990 Cb -0.13 -3.66 -0.01 0.00 0.26 0.00 0.00 34.13 30.59 2wby s GLU 990 CO 0.37 -0.58 0.93 0.08 -0.54 0.00 0.00 175.26 175.53 2wby s VAL 991 N 2.96 4.79 -0.06 3.70 1.01 -1.26 -1.53 120.40 130.01 2wby s VAL 991 Ca 0.36 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.89 2wby s VAL 991 Cb -0.15 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2wby s VAL 991 CO 0.08 -0.05 1.26 -0.63 0.00 0.00 0.00 175.10 175.77 2wby s ILE 992 N 2.48 4.13 -0.18 2.22 1.01 0.74 -4.91 121.20 126.70 2wby s ILE 992 Ca 0.42 1.45 0.17 0.00 0.00 0.00 0.00 60.65 62.70 2wby s ILE 992 Cb -0.16 -3.93 -0.25 0.00 0.01 0.00 0.00 42.46 38.12 2wby s ILE 992 CO 0.11 -0.03 0.15 1.67 0.00 0.00 0.00 174.94 176.85 2wby n GLN 993 N 5.53 0.68 -3.67 2.79 -0.06 -1.26 -4.73 117.38 116.66 2wby n GLN 993 Ca 0.12 0.03 -0.09 0.00 -2.00 0.00 0.00 57.00 55.06 2wby n GLN 993 Cb 0.45 -1.56 -0.10 0.00 -4.06 0.00 0.00 30.24 24.98 2wby n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2wby s ASN 994 N -5.57 -0.42 0.16 1.69 3.84 -1.26 -5.05 114.94 108.33 2wby s ASN 994 Ca -0.09 1.01 -0.15 0.00 0.21 0.00 0.00 52.86 53.84 2wby s ASN 994 Cb 0.06 1.19 0.06 0.00 -0.55 0.00 0.00 41.25 42.02 2wby s ASN 994 CO 0.83 -0.22 1.80 0.24 -2.79 0.00 0.00 177.10 176.96 2wby h MET 995 N 7.74 0.49 -0.68 0.43 2.86 -2.00 -2.13 114.93 121.64 2wby h MET 995 Ca -0.24 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.42 2wby h MET 995 Cb 1.14 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.64 2wby h MET 995 CO 0.18 0.32 0.40 1.15 1.06 0.00 0.00 176.91 180.02 2wby h THR 996 N 0.50 1.03 -0.03 2.22 2.02 -1.97 -2.04 112.91 114.63 2wby h THR 996 Ca 0.18 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2wby h THR 996 Cb 0.03 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2wby h THR 996 CO -0.09 0.14 0.01 -0.33 0.37 0.00 0.00 175.52 175.62 2wby h GLU 997 N 0.76 0.05 -0.69 6.66 5.08 -1.86 -1.16 114.58 123.42 2wby h GLU 997 Ca 0.29 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.79 2wby h GLU 997 Cb 0.11 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 2wby h GLU 997 CO -0.15 0.17 -0.07 0.35 -1.00 0.00 0.00 179.01 178.31 2wby h PHE 998 N -0.08 -0.19 -0.27 4.33 3.57 -1.27 -0.99 116.94 122.04 2wby h PHE 998 Ca 0.01 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2wby h PHE 998 Cb 0.14 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2wby h PHE 998 CO -0.03 -0.25 -0.09 0.87 -2.23 0.00 0.00 178.31 176.58 2wby h LYS 999 N 0.06 0.54 -0.80 1.11 1.57 -1.04 -3.10 116.57 114.91 2wby h LYS 999 Ca 0.35 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 2wby h LYS 999 Cb 0.58 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 2wby h LYS 999 CO -0.65 0.76 0.52 0.00 -0.57 0.00 0.00 179.45 179.52 2wby h ARG 1000N 0.29 0.78 -0.05 3.15 3.08 -0.40 -1.80 114.38 119.43 2wby h ARG 1000Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wby h ARG 1000Cb 0.58 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2wby h ARG 1000CO 0.03 0.52 0.00 0.41 -1.07 0.00 0.00 179.97 179.86 2wby n GLY 1001N -1.43 -0.49 3.38 0.04 0.00 -0.45 -4.85 105.19 101.38 2wby n GLY 1001Ca 0.13 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2wby n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wby s LEU 1002N -1.67 2.48 1.03 0.99 1.43 -0.68 -5.08 118.68 117.19 2wby s LEU 1002Ca 0.33 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 2wby s LEU 1002Cb 0.16 -0.92 0.21 0.00 0.03 0.00 0.00 46.19 45.67 2wby s LEU 1002CO 0.26 -0.01 1.07 -2.84 0.23 0.00 0.00 176.35 175.07 2wby s PRO 1003N -3.02 0.16 0.04 1.29 0.02 -1.26 -4.85 135.00 127.38 2wby s PRO 1003Ca 0.20 0.70 0.07 0.00 0.02 0.00 0.00 61.00 61.99 2wby s PRO 1003Cb -0.05 -1.69 -0.03 0.00 0.02 0.00 0.00 34.50 32.74 2wby s PRO 1003CO 0.09 -2.96 -0.18 -0.51 -0.33 0.00 0.00 177.00 173.11 2wby s LEU 1004N -6.66 2.63 0.79 -5.54 1.43 -1.26 -0.98 118.68 109.08 2wby s LEU 1004Ca 0.66 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 2wby s LEU 1004Cb -0.21 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.55 2wby s LEU 1004CO 0.60 0.25 1.09 -0.36 0.23 0.00 0.00 176.35 178.16 2wby s PHE 1005N -0.93 2.56 1.11 0.29 0.40 -0.38 -4.82 117.98 116.21 2wby s PHE 1005Ca 0.15 1.51 -0.13 0.00 -0.60 0.00 0.00 56.93 57.86 2wby s PHE 1005Cb -0.11 -3.06 0.25 0.00 0.51 0.00 0.00 43.02 40.62 2wby s PHE 1005CO 0.05 -1.86 1.05 -2.14 0.70 0.00 0.00 175.22 173.03 2wby s PRO 1006N -4.91 -0.48 0.55 0.24 0.02 -1.26 -4.64 135.00 124.52 2wby s PRO 1006Ca 0.61 0.70 -0.15 0.00 0.02 0.00 0.00 61.00 62.19 2wby s PRO 1006Cb -0.17 -1.62 -0.07 0.00 0.02 0.00 0.00 34.50 32.67 2wby s PRO 1006CO 0.56 -3.39 1.00 -0.51 -0.33 0.00 0.00 177.00 174.33 2wby s LEU 1007N -6.95 3.49 0.28 -5.54 2.01 -1.26 -4.80 118.68 105.91 2wby s LEU 1007Ca 0.67 1.52 -0.28 0.00 0.01 0.00 0.00 54.13 56.05 2wby s LEU 1007Cb -0.23 -4.49 -0.09 0.00 0.01 0.00 0.00 46.19 41.39 2wby s LEU 1007CO 0.62 -0.68 0.97 -0.69 1.01 0.00 0.00 176.35 177.58 2wby s VAL 1008N -2.81 3.99 0.29 -1.59 1.01 -1.26 -5.03 120.40 115.01 2wby s VAL 1008Ca 0.58 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 64.15 2wby s VAL 1008Cb -0.10 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2wby s VAL 1008CO 0.39 0.35 1.00 -0.54 0.00 0.00 0.00 175.10 176.30 2wby s LYS 1009N -1.55 4.63 0.66 2.72 1.02 -1.26 -4.93 119.74 121.03 2wby s LYS 1009Ca 0.45 1.55 -0.17 0.00 0.02 0.00 0.00 55.97 57.82 2wby s LYS 1009Cb -0.25 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2wby s LYS 1009CO 0.31 0.28 0.98 -2.30 -0.92 0.00 0.00 175.35 173.70 2wby n PRO 1010N 0.96 0.74 -2.24 -1.68 -0.02 -1.26 -4.83 135.00 126.67 2wby n PRO 1010Ca 0.00 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 2wby n PRO 1010Cb 0.47 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 2wby n PRO 1010CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2wby s HIS 1011N -1.63 2.36 0.00 6.00 2.46 -0.43 -5.03 115.29 119.02 2wby s HIS 1011Ca 0.76 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.96 2wby s HIS 1011Cb -0.38 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.16 2wby s HIS 1011CO 0.47 -2.46 0.00 0.44 -2.47 0.00 0.00 174.74 170.72