#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wad s GLN 51 N 0.00 0.36 -0.18 1.43 0.00 -1.26 -2.08 119.66 117.93 2wad s GLN 51 Ca 0.00 0.78 -0.01 0.00 -0.00 0.00 0.00 55.36 56.13 2wad s GLN 51 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 33.01 33.01 2wad s GLN 51 CO 0.00 -0.17 -0.14 -0.08 0.00 0.00 0.00 175.29 174.90 2wad s THR 52 N 1.51 2.63 -0.01 3.63 -1.32 -0.55 -4.92 115.64 116.62 2wad s THR 52 Ca -0.09 -0.76 -0.16 0.00 -1.21 0.00 0.00 61.69 59.47 2wad s THR 52 Cb -0.09 -2.13 -0.06 0.00 -1.51 0.00 0.00 72.50 68.71 2wad s THR 52 CO -0.12 0.50 0.45 -1.59 -2.21 0.00 0.00 174.62 171.64 2wad s LYS 53 N 1.17 4.04 0.02 7.08 -2.85 -1.26 -1.27 119.74 126.67 2wad s LYS 53 Ca 0.02 0.47 0.05 0.00 -1.00 0.00 0.00 55.97 55.51 2wad s LYS 53 Cb -0.14 -3.26 -0.02 0.00 -2.06 0.00 0.00 37.83 32.35 2wad s LYS 53 CO -0.06 0.60 -0.15 0.14 0.10 0.00 0.00 175.35 175.98 2wad s VAL 54 N -0.81 1.16 -0.18 1.79 -7.23 -0.39 -4.98 120.40 109.76 2wad s VAL 54 Ca 0.25 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2wad s VAL 54 Cb -0.17 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.75 2wad s VAL 54 CO 0.14 0.13 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.04 2wad s THR 55 N -0.67 2.77 0.15 5.32 2.01 -1.26 -1.62 115.64 122.34 2wad s THR 55 Ca 0.03 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.39 2wad s THR 55 Cb -0.07 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 2wad s THR 55 CO 0.01 0.49 -0.01 0.28 -0.69 0.00 0.00 174.62 174.70 2wad s THR 56 N 1.14 3.78 0.60 -0.82 -1.32 -0.69 -4.97 115.64 113.35 2wad s THR 56 Ca 0.01 -1.30 -0.15 0.00 -1.21 0.00 0.00 61.69 59.05 2wad s THR 56 Cb -0.14 -2.86 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 2wad s THR 56 CO -0.04 -0.04 1.04 -0.44 -2.21 0.00 0.00 174.62 172.93 2wad s SER 57 N -2.73 5.95 0.00 8.08 0.01 -1.26 -2.70 113.70 121.05 2wad s SER 57 Ca 0.27 1.69 0.00 0.00 1.31 0.00 0.00 55.95 59.21 2wad s SER 57 Cb -0.10 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2wad s SER 57 CO 0.18 -1.05 0.00 -1.20 0.41 0.00 0.00 173.24 171.58 2wad n SER 58 N -2.19 1.57 -4.77 2.44 7.64 -1.26 -4.75 113.62 112.29 2wad n SER 58 Ca 0.08 -0.77 -0.38 0.00 1.01 0.00 0.00 58.87 58.80 2wad n SER 58 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 2wad n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wad s ALA 59 N -2.00 3.33 0.29 -0.43 0.00 -1.26 -4.58 121.76 117.10 2wad s ALA 59 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 2wad s ALA 59 Cb 0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 2wad s ALA 59 CO 0.00 0.23 1.07 0.50 0.00 0.00 0.00 175.76 177.56 2wad s ARG 60 N -1.57 4.63 1.06 0.00 3.52 -1.26 0.08 118.95 125.41 2wad s ARG 60 Ca 0.43 1.73 -0.12 0.00 -0.13 0.00 0.00 55.73 57.64 2wad s ARG 60 Cb -0.22 -3.14 0.23 0.00 -1.56 0.00 0.00 34.95 30.26 2wad s ARG 60 CO 0.27 0.23 1.07 0.20 -0.81 0.00 0.00 175.30 176.25 2wad s GLY 61 N -0.99 1.59 0.44 8.12 0.00 0.73 -4.47 107.32 112.73 2wad s GLY 61 Ca 0.45 0.01 0.04 0.00 0.00 0.00 0.00 44.72 45.23 2wad s GLY 61 CO 0.38 0.63 0.01 -0.54 0.00 0.00 0.00 173.10 173.59 2wad s GLU 62 N -4.61 2.03 -0.11 2.90 2.02 -1.25 -4.94 118.70 114.75 2wad s GLU 62 Ca 0.67 -2.21 0.03 0.00 0.02 0.00 0.00 54.97 53.48 2wad s GLU 62 Cb -0.23 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.49 2wad s GLU 62 CO 0.62 -0.19 -0.22 0.42 0.02 0.00 0.00 175.26 175.90 2wad s ILE 63 N -2.82 1.96 0.08 -1.63 -1.09 -1.26 -2.21 121.20 114.22 2wad s ILE 63 Ca 0.23 -0.95 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 2wad s ILE 63 Cb 0.06 -1.71 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 2wad s ILE 63 CO 0.12 0.54 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.86 2wad s TYR 64 N 0.51 1.70 0.92 3.97 2.02 -0.67 -0.21 117.35 125.58 2wad s TYR 64 Ca -0.15 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.01 2wad s TYR 64 Cb -0.17 -0.96 0.18 0.00 -0.40 0.00 0.00 41.96 40.62 2wad s TYR 64 CO 0.06 0.15 1.27 0.16 -1.57 0.00 0.00 175.55 175.61 2wad s ASP 65 N -1.65 3.35 0.60 2.29 3.84 -0.04 -0.22 116.67 124.84 2wad s ASP 65 Ca 0.05 0.18 0.40 0.00 -0.00 0.00 0.00 52.55 53.18 2wad s ASP 65 Cb -0.10 -0.29 2.02 0.00 -1.38 0.00 0.00 42.92 43.17 2wad s ASP 65 CO 0.03 -2.57 2.20 0.00 -0.00 0.00 0.00 175.17 174.83 2wad h ALA 66 N -1.45 1.00 -0.02 2.11 0.00 -1.21 -0.88 119.26 118.81 2wad h ALA 66 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wad h ALA 66 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wad h ALA 66 CO 0.39 0.00 -0.21 -1.13 0.00 0.00 0.00 179.25 178.30 2wad n SER 67 N -2.99 2.32 0.00 0.00 3.41 -1.26 -4.98 113.62 110.12 2wad n SER 67 Ca -0.02 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 2wad n SER 67 Cb 0.14 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2wad n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wad n GLY 68 N 1.26 0.86 3.74 5.00 0.00 -0.34 -5.07 105.19 110.64 2wad n GLY 68 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2wad n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wad s LYS 69 N -0.80 4.53 0.42 1.61 -0.14 -1.26 -4.77 119.74 119.34 2wad s LYS 69 Ca 0.00 1.85 -0.24 0.00 -1.36 0.00 0.00 55.97 56.23 2wad s LYS 69 Cb 0.00 -3.23 -0.08 0.00 -1.68 0.00 0.00 37.83 32.84 2wad s LYS 69 CO 0.00 -0.01 1.13 -1.25 -0.76 0.00 0.00 175.35 174.46 2wad s PRO 70 N -0.57 3.96 -0.01 -1.68 0.04 -1.26 -0.86 135.00 134.62 2wad s PRO 70 Ca 0.50 1.72 0.14 0.00 0.04 0.00 0.00 61.00 63.40 2wad s PRO 70 Cb -0.32 -2.53 -0.19 0.00 0.04 0.00 0.00 34.50 31.50 2wad s PRO 70 CO 0.38 -0.37 0.42 1.28 0.04 0.00 0.00 177.00 178.76 2wad n LEU 71 N -0.20 0.27 0.00 -3.56 4.77 0.71 -4.86 117.00 114.13 2wad n LEU 71 Ca 0.06 -0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 55.66 2wad n LEU 71 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2wad n LEU 71 CO 0.48 0.07 -0.09 1.33 -1.33 0.00 0.00 177.39 177.84 2wad n VAL 72 N -1.71 0.00 -3.68 4.08 0.24 -1.25 -1.72 118.33 114.29 2wad n VAL 72 Ca -0.00 -1.82 -0.10 0.00 -2.04 0.00 0.00 64.34 60.37 2wad n VAL 72 Cb 0.30 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.39 2wad n VAL 72 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2wad s GLU 73 N -3.08 0.51 -0.38 7.34 2.56 0.68 -4.82 118.70 121.50 2wad s GLU 73 Ca 0.25 0.87 -0.14 0.00 0.00 0.00 0.00 54.97 55.95 2wad s GLU 73 Cb 0.01 0.08 0.01 0.00 2.00 0.00 0.00 34.13 36.23 2wad s GLU 73 CO 0.17 -0.14 0.27 -0.80 -0.56 0.00 0.00 175.26 174.21 2wad s ASN 74 N 1.21 6.06 -0.06 -1.70 0.01 -1.26 -0.34 114.94 118.85 2wad s ASN 74 Ca -0.08 -0.74 -0.01 0.00 -0.71 0.00 0.00 52.86 51.32 2wad s ASN 74 Cb -0.07 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2wad s ASN 74 CO -0.11 -0.37 0.03 0.28 -1.51 0.00 0.00 177.10 175.41 2wad s THR 75 N 1.69 4.45 -0.16 1.60 -1.32 -0.13 -4.96 115.64 116.80 2wad s THR 75 Ca 0.05 -0.31 -0.13 0.00 -1.21 0.00 0.00 61.69 60.09 2wad s THR 75 Cb -0.18 -2.93 -0.05 0.00 -1.51 0.00 0.00 72.50 67.83 2wad s THR 75 CO 0.10 0.52 0.28 -0.76 -2.21 0.00 0.00 174.62 172.55 2wad s LEU 76 N -1.18 4.24 0.36 9.08 1.43 -1.26 -1.65 118.68 129.70 2wad s LEU 76 Ca 0.16 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.80 2wad s LEU 76 Cb -0.12 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.69 2wad s LEU 76 CO 0.06 0.10 0.02 -1.59 0.23 0.00 0.00 176.35 175.17 2wad s LYS 77 N 0.47 1.79 -0.08 1.70 -2.85 -1.15 -4.97 119.74 114.65 2wad s LYS 77 Ca 0.16 -1.99 -0.03 0.00 -1.00 0.00 0.00 55.97 53.11 2wad s LYS 77 Cb -0.13 -1.27 -0.04 0.00 -2.06 0.00 0.00 37.83 34.33 2wad s LYS 77 CO 0.03 -0.09 0.04 -0.65 0.10 0.00 0.00 175.35 174.78 2wad s GLN 78 N -3.78 3.08 -0.01 1.78 -0.21 -1.26 -1.77 119.66 117.48 2wad s GLN 78 Ca 0.35 -0.37 -0.10 0.00 0.02 0.00 0.00 55.36 55.27 2wad s GLN 78 Cb 0.09 -2.88 0.01 0.00 1.00 0.00 0.00 33.01 31.23 2wad s GLN 78 CO 0.16 0.71 0.20 0.08 -2.12 0.00 0.00 175.29 174.32 2wad s VAL 79 N -0.96 0.07 -0.17 1.09 1.01 0.18 -4.91 120.40 116.71 2wad s VAL 79 Ca 0.15 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 2wad s VAL 79 Cb -0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 2wad s VAL 79 CO 0.04 -0.31 0.98 -0.69 0.00 0.00 0.00 175.10 175.13 2wad s VAL 80 N -1.22 4.76 0.04 2.92 1.01 -1.26 -1.41 120.40 125.24 2wad s VAL 80 Ca -0.13 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.83 2wad s VAL 80 Cb -0.06 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2wad s VAL 80 CO 0.02 -0.07 -0.06 -0.44 0.00 0.00 0.00 175.10 174.55 2wad s SER 81 N 1.16 4.64 -0.12 3.32 0.01 0.12 -0.49 113.70 122.34 2wad s SER 81 Ca 0.44 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.51 2wad s SER 81 Cb -0.17 -1.04 0.01 0.00 0.21 0.00 0.00 66.02 65.04 2wad s SER 81 CO 0.12 0.24 -0.17 0.12 0.41 0.00 0.00 173.24 173.96 2wad s PHE 82 N -1.10 2.16 -0.25 2.43 5.36 0.08 -1.96 117.98 124.70 2wad s PHE 82 Ca 0.19 -1.06 -0.06 0.00 -0.96 0.00 0.00 56.93 55.05 2wad s PHE 82 Cb -0.11 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 41.02 2wad s PHE 82 CO 0.11 -0.53 0.04 0.99 -1.46 0.00 0.00 175.22 174.36 2wad s THR 83 N 1.00 3.99 0.09 0.12 2.01 -0.55 -1.65 115.64 120.64 2wad s THR 83 Ca -0.06 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 2wad s THR 83 Cb -0.15 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 2wad s THR 83 CO -0.03 0.34 0.38 -0.60 -0.69 0.00 0.00 174.62 174.02 2wad s ARG 84 N 1.56 3.70 -0.00 4.92 3.52 -0.91 -4.36 118.95 127.38 2wad s ARG 84 Ca 0.06 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 2wad s ARG 84 Cb -0.15 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2wad s ARG 84 CO 0.01 0.54 0.05 0.45 -0.81 0.00 0.00 175.30 175.54 2wad s SER 85 N -1.96 5.46 0.16 -2.12 0.15 -1.26 -0.47 113.70 113.66 2wad s SER 85 Ca 0.35 0.08 0.11 0.00 0.70 0.00 0.00 55.95 57.19 2wad s SER 85 Cb -0.13 -1.51 0.58 0.00 -1.71 0.00 0.00 66.02 63.25 2wad s SER 85 CO 0.20 0.27 1.33 -0.46 1.20 0.00 0.00 173.24 175.78 2wad n ASN 86 N 1.25 0.28 -0.00 5.45 6.94 -1.26 -2.66 115.26 125.26 2wad n ASN 86 Ca -0.14 0.63 0.09 0.00 -0.02 0.00 0.00 54.58 55.14 2wad n ASN 86 Cb 0.53 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 2wad n ASN 86 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2wad n LYS 87 N -1.87 0.66 -1.79 -3.83 5.02 -1.26 -4.93 118.16 110.15 2wad n LYS 87 Ca -0.01 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2wad n LYS 87 Cb 0.02 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 2wad n LYS 87 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2wad s MET 88 N -2.87 3.89 1.07 1.97 -1.94 -1.09 -5.01 119.30 115.33 2wad s MET 88 Ca 0.06 2.27 -0.16 0.00 -1.71 0.00 0.00 55.69 56.14 2wad s MET 88 Cb 0.14 -4.15 0.23 0.00 2.01 0.00 0.00 34.83 33.06 2wad s MET 88 CO 0.79 -1.22 1.15 0.95 -0.01 0.00 0.00 175.02 176.68 2wad s THR 89 N 5.28 1.81 0.32 2.05 -4.23 -1.26 -4.88 115.64 114.73 2wad s THR 89 Ca 0.85 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.45 2wad s THR 89 Cb -0.36 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 70.90 2wad s THR 89 CO 0.36 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 176.19 2wad h ALA 90 N -2.11 1.21 -0.24 3.99 0.00 -1.95 -2.30 119.26 117.86 2wad h ALA 90 Ca -0.47 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 2wad h ALA 90 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2wad h ALA 90 CO 0.44 0.55 -0.05 1.15 0.00 0.00 0.00 179.25 181.34 2wad h THR 91 N 0.12 1.28 -0.63 0.00 2.02 -1.93 -1.53 112.91 112.24 2wad h THR 91 Ca 0.01 -1.03 0.12 0.00 0.77 0.00 0.00 66.41 66.28 2wad h THR 91 Cb 0.76 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2wad h THR 91 CO 0.06 0.32 0.43 0.44 0.37 0.00 0.00 175.52 177.13 2wad h ASP 92 N 0.21 0.33 -0.35 4.18 3.32 -1.89 -1.50 116.42 120.74 2wad h ASP 92 Ca 0.06 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2wad h ASP 92 Cb 0.50 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2wad h ASP 92 CO 0.02 0.19 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.39 2wad h LEU 93 N 0.36 0.83 -0.74 1.55 4.07 -0.98 -2.50 115.31 117.91 2wad h LEU 93 Ca 0.30 -0.45 -0.06 0.00 0.08 0.00 0.00 57.88 57.75 2wad h LEU 93 Cb 0.67 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 2wad h LEU 93 CO -0.08 1.10 0.21 0.11 -1.08 0.00 0.00 178.44 178.70 2wad h LYS 94 N 0.57 1.16 -0.75 1.13 1.57 -0.81 -0.13 116.57 119.31 2wad h LYS 94 Ca 0.06 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 2wad h LYS 94 Cb 0.84 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2wad h LYS 94 CO 0.07 1.00 0.28 0.93 -0.57 0.00 0.00 179.45 181.16 2wad h GLU 95 N 1.11 1.12 -0.39 3.15 4.39 -1.28 -2.36 114.58 120.32 2wad h GLU 95 Ca 0.24 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 2wad h GLU 95 Cb 0.34 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2wad h GLU 95 CO -0.00 0.92 -0.27 0.82 -1.16 0.00 0.00 179.01 179.32 2wad h ILE 96 N 1.09 1.27 -0.31 3.13 2.04 -1.16 -2.72 117.51 120.86 2wad h ILE 96 Ca 0.25 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 2wad h ILE 96 Cb 0.23 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2wad h ILE 96 CO -0.02 0.47 0.15 0.00 0.00 0.00 0.00 178.15 178.76 2wad h ALA 97 N 0.99 0.40 0.00 1.87 0.00 -0.77 -2.22 119.26 119.53 2wad h ALA 97 Ca 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2wad h ALA 97 Cb 0.81 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2wad h ALA 97 CO 0.07 -0.04 -0.32 1.57 0.00 0.00 0.00 179.25 180.52 2wad h LYS 98 N 0.37 0.00 -0.48 0.00 2.10 -1.47 -1.39 116.57 115.69 2wad h LYS 98 Ca 0.11 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.70 2wad h LYS 98 Cb 0.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 2wad h LYS 98 CO -0.01 0.30 0.06 0.87 -2.00 0.00 0.00 179.45 178.67 2wad h LYS 99 N 0.00 0.76 -0.08 0.07 1.79 -1.49 -3.24 116.57 114.38 2wad h LYS 99 Ca -0.00 -0.17 -0.17 0.00 -2.18 0.00 0.00 60.65 58.13 2wad h LYS 99 Cb 1.23 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2wad h LYS 99 CO 0.04 0.73 -0.67 1.25 -1.08 0.00 0.00 179.45 179.71 2wad h LEU 100 N 0.73 0.38 -2.27 2.94 5.85 -0.82 -3.10 115.31 119.02 2wad h LEU 100 Ca 0.15 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2wad h LEU 100 Cb 0.35 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2wad h LEU 100 CO 0.01 0.94 -0.05 0.25 -0.34 0.00 0.00 178.44 179.26 2wad h LEU 101 N 0.23 0.00 -2.11 2.25 5.85 -1.30 0.10 115.31 120.33 2wad h LEU 101 Ca -0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2wad h LEU 101 Cb 1.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2wad h LEU 101 CO 0.11 0.05 -0.08 0.71 -0.34 0.00 0.00 178.44 178.89 2wad h THR 102 N 0.00 0.57 0.00 1.05 1.35 -1.65 -3.22 112.91 111.01 2wad h THR 102 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2wad h THR 102 Cb 0.12 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2wad h THR 102 CO 0.01 0.08 -1.25 -1.22 -0.25 0.00 0.00 175.52 172.89 2wad n TYR 103 N -3.74 0.00 -4.47 4.73 4.01 -0.00 -5.01 117.16 112.68 2wad n TYR 103 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 2wad n TYR 103 Cb 0.18 -0.19 -0.11 0.00 -0.31 0.00 0.00 39.34 38.91 2wad n TYR 103 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wad s VAL 104 N -2.77 1.42 -0.15 -0.72 -7.23 -1.06 -4.99 120.40 104.92 2wad s VAL 104 Ca -0.00 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 2wad s VAL 104 Cb 0.11 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 2wad s VAL 104 CO 0.63 -0.08 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.79 2wad s SER 105 N -3.51 4.09 -0.36 4.85 0.01 -1.26 -4.80 113.70 112.72 2wad s SER 105 Ca 0.35 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.30 2wad s SER 105 Cb 0.08 -1.64 0.11 0.00 0.21 0.00 0.00 66.02 64.78 2wad s SER 105 CO 0.15 0.14 0.11 -0.63 0.41 0.00 0.00 173.24 173.42 2wad s ILE 106 N 0.53 1.77 -0.26 1.44 -1.09 -1.26 -1.93 121.20 120.40 2wad s ILE 106 Ca -0.08 -2.18 -0.04 0.00 -2.23 0.00 0.00 60.65 56.12 2wad s ILE 106 Cb -0.15 -2.30 -0.16 0.00 -1.58 0.00 0.00 42.46 38.27 2wad s ILE 106 CO 0.04 -0.68 -0.22 -1.54 -1.23 0.00 0.00 174.94 171.30 2wad n SER 107 N 4.23 1.98 -4.32 3.58 3.41 -1.26 -4.79 113.62 116.44 2wad n SER 107 Ca 0.03 0.04 -0.47 0.00 -0.26 0.00 0.00 58.87 58.21 2wad n SER 107 Cb 0.40 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 2wad n SER 107 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2wad s SER 108 N -6.85 6.62 -0.45 4.04 0.01 -1.26 -5.02 113.70 110.79 2wad s SER 108 Ca -0.35 -2.48 -0.11 0.00 1.31 0.00 0.00 55.95 54.32 2wad s SER 108 Cb 0.11 -2.21 0.09 0.00 0.21 0.00 0.00 66.02 64.21 2wad s SER 108 CO 0.58 -0.64 0.33 -2.16 0.41 0.00 0.00 173.24 171.75 2wad s PRO 109 N 0.51 2.72 -0.78 12.44 0.04 -1.26 -5.03 135.00 143.64 2wad s PRO 109 Ca 0.14 -1.49 -0.04 0.00 0.04 0.00 0.00 61.00 59.66 2wad s PRO 109 Cb -0.15 -3.93 0.20 0.00 0.04 0.00 0.00 34.50 30.65 2wad s PRO 109 CO -0.06 -1.03 0.65 -0.80 0.04 0.00 0.00 177.00 175.79 2wad s ASN 110 N 2.43 5.82 -0.10 6.66 0.02 -1.26 -5.08 114.94 123.43 2wad s ASN 110 Ca 0.04 -3.21 -0.23 0.00 -1.02 0.00 0.00 52.86 48.43 2wad s ASN 110 Cb -0.24 -1.94 -0.03 0.00 0.02 0.00 0.00 41.25 39.06 2wad s ASN 110 CO 0.03 -0.32 0.71 -0.76 0.02 0.00 0.00 177.10 176.78 2wad s LEU 111 N -0.60 4.27 0.46 0.60 1.43 -1.26 -5.07 118.68 118.52 2wad s LEU 111 Ca 0.22 1.14 -0.20 0.00 -1.03 0.00 0.00 54.13 54.26 2wad s LEU 111 Cb -0.13 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 2wad s LEU 111 CO -0.08 -0.18 0.97 0.42 0.23 0.00 0.00 176.35 177.72 2wad s THR 112 N 1.14 4.34 0.38 5.49 -4.23 -1.26 -4.91 115.64 116.58 2wad s THR 112 Ca 0.37 1.37 0.21 0.00 -1.18 0.00 0.00 61.69 62.46 2wad s THR 112 Cb -0.17 -3.60 0.21 0.00 1.34 0.00 0.00 72.50 70.28 2wad s THR 112 CO 0.16 -0.40 1.96 -0.33 -0.54 0.00 0.00 174.62 175.48 2wad h GLU 113 N 1.61 0.00 -0.52 3.99 3.07 -1.97 0.15 114.58 120.92 2wad h GLU 113 Ca -0.49 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.27 2wad h GLU 113 Cb 1.19 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 2wad h GLU 113 CO 0.61 0.21 -0.08 -0.09 -1.40 0.00 0.00 179.01 178.26 2wad h ARG 114 N 0.00 0.97 -1.00 2.33 9.65 -1.97 -0.34 114.38 124.01 2wad h ARG 114 Ca -0.00 -0.35 0.02 0.00 -1.10 0.00 0.00 59.98 58.55 2wad h ARG 114 Cb 0.47 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.93 2wad h ARG 114 CO 0.03 1.02 0.66 1.96 2.80 0.00 0.00 179.97 186.44 2wad h GLN 115 N 0.84 1.28 -0.04 0.20 4.20 -1.42 -0.01 115.11 120.16 2wad h GLN 115 Ca 0.14 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 2wad h GLN 115 Cb 0.63 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2wad h GLN 115 CO 0.04 0.85 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.57 2wad h LEU 116 N 1.32 0.08 0.11 1.46 3.38 -0.80 -2.01 115.31 118.85 2wad h LEU 116 Ca 0.38 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 58.04 2wad h LEU 116 Cb -0.08 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2wad h LEU 116 CO -0.10 0.49 -1.25 0.00 0.09 0.00 0.00 178.44 177.66 2wad h ALA 117 N 1.52 0.07 0.46 1.53 0.00 -0.66 -2.57 119.26 119.60 2wad h ALA 117 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 2wad h ALA 117 Cb 0.76 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wad h ALA 117 CO 0.06 0.89 -0.32 -0.44 0.00 0.00 0.00 179.25 179.44 2wad h ASP 118 N 0.12 -0.81 -0.82 0.00 3.32 -0.93 -0.75 116.42 116.56 2wad h ASP 118 Ca -0.15 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.04 2wad h ASP 118 Cb 1.96 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 41.69 2wad h ASP 118 CO 0.22 -0.48 0.47 0.22 -1.72 0.00 0.00 179.24 177.95 2wad h TYR 119 N -0.75 0.86 -0.67 4.55 3.20 -1.45 -1.98 116.97 120.73 2wad h TYR 119 Ca -0.05 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 2wad h TYR 119 Cb 0.63 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2wad h TYR 119 CO -0.12 0.37 0.09 -0.92 -1.64 0.00 0.00 178.16 175.94 2wad h TYR 120 N 0.81 1.20 0.00 -3.82 3.20 -1.29 -2.54 116.97 114.54 2wad h TYR 120 Ca 0.39 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2wad h TYR 120 Cb 0.31 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2wad h TYR 120 CO -0.06 1.01 0.00 1.28 -1.64 0.00 0.00 178.16 178.75 2wad n LEU 121 N -4.20 0.51 0.04 2.82 4.77 -0.30 -3.64 117.00 116.99 2wad n LEU 121 Ca 0.04 0.57 0.19 0.00 -0.03 0.00 0.00 56.01 56.79 2wad n LEU 121 Cb 0.31 -0.44 0.70 0.00 -2.33 0.00 0.00 43.42 41.66 2wad n LEU 121 CO 0.43 -0.23 1.17 0.00 -1.33 0.00 0.00 177.39 177.44 2wad h ALA 122 N 2.57 2.40 -2.25 -1.18 0.00 -0.91 -3.35 119.26 116.54 2wad h ALA 122 Ca 0.00 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 2wad h ALA 122 Cb 0.55 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2wad h ALA 122 CO 0.00 -0.59 0.95 0.34 0.00 0.00 0.00 179.25 179.94 2wad s ASP 123 N -6.16 6.83 0.20 0.00 -1.08 -1.24 -4.30 116.67 110.91 2wad s ASP 123 Ca -0.05 1.99 -0.11 0.00 -0.52 0.00 0.00 52.55 53.86 2wad s ASP 123 Cb 0.19 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.35 2wad s ASP 123 CO 0.70 -0.80 1.72 -0.65 0.52 0.00 0.00 175.17 176.66 2wad h PRO 124 N 8.56 0.29 0.26 4.34 0.11 -1.94 0.12 132.00 143.74 2wad h PRO 124 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2wad h PRO 124 Cb 1.15 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wad h PRO 124 CO 0.95 0.19 -0.12 1.49 -0.21 0.00 0.00 178.00 180.29 2wad h GLU 125 N 0.30 -0.33 -0.94 1.05 4.81 -1.92 -1.70 114.58 115.85 2wad h GLU 125 Ca 0.28 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.67 2wad h GLU 125 Cb 0.38 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.75 2wad h GLU 125 CO -0.33 -0.13 0.60 0.82 -0.73 0.00 0.00 179.01 179.24 2wad h ILE 126 N -0.48 0.86 -0.54 2.32 1.08 -1.79 0.21 117.51 119.17 2wad h ILE 126 Ca -0.04 -0.28 -0.08 0.00 -0.39 0.00 0.00 64.86 64.08 2wad h ILE 126 Cb 0.36 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 2wad h ILE 126 CO 0.06 0.15 0.04 0.22 -0.69 0.00 0.00 178.15 177.92 2wad h TYR 127 N 0.81 1.01 0.62 1.37 3.20 -0.50 -1.58 116.97 121.91 2wad h TYR 127 Ca 0.48 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2wad h TYR 127 Cb 0.65 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.66 2wad h TYR 127 CO -0.00 0.91 -0.30 -0.22 -1.64 0.00 0.00 178.16 176.91 2wad h LYS 128 N 0.81 -0.81 -0.96 1.82 3.64 -0.32 -2.73 116.57 118.02 2wad h LYS 128 Ca 0.16 0.06 0.24 0.00 -1.27 0.00 0.00 60.65 59.83 2wad h LYS 128 Cb 0.48 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 2wad h LYS 128 CO 0.02 -0.49 0.64 -0.22 -2.27 0.00 0.00 179.45 177.13 2wad h LYS 129 N -1.03 0.31 0.00 1.90 3.64 -0.62 0.15 116.57 120.92 2wad h LYS 129 Ca -0.09 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 2wad h LYS 129 Cb 0.69 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2wad h LYS 129 CO 0.14 0.20 -0.59 1.79 -2.27 0.00 0.00 179.45 178.73 2wad h THR 130 N 0.32 0.23 0.24 1.00 1.35 -1.26 -2.91 112.91 111.87 2wad h THR 130 Ca 0.51 -1.36 -0.33 0.00 -0.55 0.00 0.00 66.41 64.68 2wad h THR 130 Cb 1.43 1.93 0.03 0.00 -1.73 0.00 0.00 68.15 69.81 2wad h THR 130 CO -0.18 0.13 -1.48 1.62 -0.25 0.00 0.00 175.52 175.36 2wad h VAL 131 N 0.00 1.28 -0.35 6.82 3.04 -0.81 -3.24 116.25 122.99 2wad h VAL 131 Ca -0.02 -2.73 0.10 0.00 -1.01 0.00 0.00 66.70 63.04 2wad h VAL 131 Cb 1.15 3.02 -0.01 0.00 -2.01 0.00 0.00 31.29 33.43 2wad h VAL 131 CO 0.02 0.82 0.43 -0.33 -1.01 0.00 0.00 177.57 177.51 2wad h GLU 132 N 0.14 0.00 -0.56 4.17 4.39 -0.76 -1.85 114.58 120.11 2wad h GLU 132 Ca -0.25 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.31 2wad h GLU 132 Cb 2.15 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.72 2wad h GLU 132 CO 0.26 0.00 0.14 0.00 -1.16 0.00 0.00 179.01 178.25 2wad n ALA 133 N -2.27 4.10 -2.00 3.43 0.00 -1.10 -4.98 120.51 117.68 2wad n ALA 133 Ca 0.06 -2.38 -0.20 0.00 0.00 0.00 0.00 53.44 50.92 2wad n ALA 133 Cb 0.59 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 19.04 2wad n ALA 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wad s LEU 134 N -2.96 3.28 0.00 0.00 1.43 -0.70 -5.04 118.68 114.68 2wad s LEU 134 Ca 0.51 -0.32 0.23 0.00 -1.03 0.00 0.00 54.13 53.52 2wad s LEU 134 Cb 0.41 -2.43 0.48 0.00 0.03 0.00 0.00 46.19 44.69 2wad s LEU 134 CO 0.11 -1.23 1.43 -0.81 0.23 0.00 0.00 176.35 176.07 2wad n PRO 135 N -2.31 2.26 -2.24 1.29 -0.04 -1.26 -5.12 135.00 127.58 2wad n PRO 135 Ca 0.11 -1.89 -0.00 0.00 -0.04 0.00 0.00 63.50 61.68 2wad n PRO 135 Cb 0.60 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2wad n PRO 135 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wad n GLU 149 N 1.14 -0.33 -0.31 0.54 2.13 -1.26 -5.28 120.64 117.28 2wad n GLU 149 Ca 0.18 0.31 0.13 0.00 0.66 0.00 0.00 57.16 58.44 2wad n GLU 149 Cb 0.53 -0.61 0.29 0.00 0.27 0.00 0.00 31.44 31.92 2wad n GLU 149 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2wad h SER 150 N 4.24 -0.17 0.24 4.31 0.02 -2.05 0.35 113.55 120.48 2wad h SER 150 Ca -0.00 0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2wad h SER 150 Cb 0.00 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2wad h SER 150 CO 0.00 -0.23 -0.24 -0.08 -1.14 0.00 0.00 176.83 175.13 2wad h GLU 151 N 0.12 0.00 0.09 3.45 4.81 -2.06 -0.70 114.58 120.30 2wad h GLU 151 Ca 0.56 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.53 2wad h GLU 151 Cb 1.15 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2wad h GLU 151 CO -0.74 0.25 -1.15 1.25 -0.73 0.00 0.00 179.01 177.89 2wad h LEU 152 N 0.00 0.46 -0.39 1.64 5.85 -0.79 -3.09 115.31 118.99 2wad h LEU 152 Ca -0.00 -0.45 -0.18 0.00 0.84 0.00 0.00 57.88 58.09 2wad h LEU 152 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2wad h LEU 152 CO 0.03 1.31 -0.80 1.88 -0.34 0.00 0.00 178.44 180.52 2wad h TYR 153 N 0.12 0.26 0.18 1.25 0.05 -0.82 -1.35 116.97 116.66 2wad h TYR 153 Ca -0.12 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.54 2wad h TYR 153 Cb 1.84 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 39.53 2wad h TYR 153 CO 0.06 0.90 -0.19 -0.97 -1.05 0.00 0.00 178.16 176.92 2wad h ASN 154 N 0.11 -0.51 -0.17 3.88 -1.24 -1.22 0.30 115.58 116.73 2wad h ASN 154 Ca -0.03 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 2wad h ASN 154 Cb 1.39 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.61 2wad h ASN 154 CO 0.12 -0.28 0.09 0.78 -1.29 0.00 0.00 177.43 176.85 2wad h ASN 155 N -0.40 0.24 -0.03 1.15 4.21 -1.47 0.11 115.58 119.39 2wad h ASN 155 Ca 0.01 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.43 2wad h ASN 155 Cb 0.39 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2wad h ASN 155 CO -0.06 0.22 -0.26 0.00 -1.29 0.00 0.00 177.43 176.04 2wad h ALA 156 N 1.83 0.07 -0.64 -0.83 0.00 -0.81 -3.03 119.26 115.84 2wad h ALA 156 Ca 0.07 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2wad h ALA 156 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2wad h ALA 156 CO -0.01 0.10 0.42 0.28 0.00 0.00 0.00 179.25 180.05 2wad h VAL 157 N -0.35 1.15 -0.76 0.00 2.07 -0.16 -2.97 116.25 115.24 2wad h VAL 157 Ca -0.02 -0.30 0.16 0.00 0.82 0.00 0.00 66.70 67.36 2wad h VAL 157 Cb 0.95 0.22 -0.14 0.00 -1.52 0.00 0.00 31.29 30.80 2wad h VAL 157 CO 0.05 0.16 -0.10 0.44 0.02 0.00 0.00 177.57 178.14 2wad h ASP 158 N 0.86 -0.54 0.69 0.57 3.45 -0.82 -0.65 116.42 119.99 2wad h ASP 158 Ca 0.24 0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.91 2wad h ASP 158 Cb -0.09 0.41 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 2wad h ASP 158 CO -0.06 -0.22 0.00 -1.20 -1.57 0.00 0.00 179.24 176.19 2wad n SER 159 N -5.43 0.06 0.06 6.45 7.64 -1.12 -3.56 113.62 117.71 2wad n SER 159 Ca 0.12 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.63 2wad n SER 159 Cb 0.44 -0.53 0.17 0.00 -1.01 0.00 0.00 64.21 63.28 2wad n SER 159 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wad n VAL 160 N -1.56 0.32 -3.85 0.44 0.31 -0.25 -4.87 118.33 108.86 2wad n VAL 160 Ca 0.05 -0.26 -0.36 0.00 -0.01 0.00 0.00 64.34 63.76 2wad n VAL 160 Cb 0.23 -0.09 -0.08 0.00 -0.91 0.00 0.00 33.84 32.99 2wad n VAL 160 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2wad s PRO 161 N -3.16 3.84 -0.54 5.55 0.04 -1.23 -5.03 135.00 134.47 2wad s PRO 161 Ca 0.06 -0.22 -0.27 0.00 0.04 0.00 0.00 61.00 60.62 2wad s PRO 161 Cb 0.14 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 2wad s PRO 161 CO 0.72 0.48 1.74 0.95 0.04 0.00 0.00 177.00 180.94 2wad s THR 162 N -0.18 3.48 -1.50 1.26 -4.23 -1.26 -4.86 115.64 108.34 2wad s THR 162 Ca 0.10 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 2wad s THR 162 Cb -0.12 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.72 2wad s THR 162 CO 0.01 -0.88 0.11 -1.20 -0.54 0.00 0.00 174.62 172.12 2wad n SER 163 N 11.51 0.07 -3.68 3.99 7.64 -1.26 -3.45 113.62 128.44 2wad n SER 163 Ca 0.19 -0.29 -0.41 0.00 1.01 0.00 0.00 58.87 59.37 2wad n SER 163 Cb 0.50 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2wad n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wad n GLN 164 N -0.04 5.14 -2.35 1.43 3.00 -1.26 -5.01 117.38 118.30 2wad n GLN 164 Ca 0.00 -4.46 -0.24 0.00 -0.01 0.00 0.00 57.00 52.29 2wad n GLN 164 Cb 0.02 -2.51 0.07 0.00 0.00 0.00 0.00 30.24 27.81 2wad n GLN 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2wad s LEU 165 N -3.68 2.95 -0.33 1.08 1.43 -1.22 -5.08 118.68 113.83 2wad s LEU 165 Ca 0.40 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.73 2wad s LEU 165 Cb 0.16 -2.92 0.07 0.00 0.03 0.00 0.00 46.19 43.53 2wad s LEU 165 CO -0.08 -1.53 0.05 0.21 0.23 0.00 0.00 176.35 175.23 2wad s ASN 166 N -4.52 4.98 -0.18 2.29 2.47 -1.26 -5.08 114.94 113.65 2wad s ASN 166 Ca 0.60 -1.48 0.01 0.00 0.42 0.00 0.00 52.86 52.41 2wad s ASN 166 Cb -0.10 -1.74 0.03 0.00 -1.45 0.00 0.00 41.25 37.99 2wad s ASN 166 CO 0.43 -0.33 -0.16 -0.31 -3.72 0.00 0.00 177.10 173.01 2wad s TYR 167 N 1.22 2.57 1.08 0.43 2.02 -1.26 -5.11 117.35 118.29 2wad s TYR 167 Ca -0.01 -1.54 -0.15 0.00 -0.37 0.00 0.00 57.07 55.00 2wad s TYR 167 Cb -0.20 -1.78 0.15 0.00 -0.40 0.00 0.00 41.96 39.73 2wad s TYR 167 CO -0.02 -0.76 0.53 0.25 -1.57 0.00 0.00 175.55 173.98 2wad n THR 168 N 4.67 0.00 0.10 -0.71 -2.24 -1.26 -4.67 114.28 110.16 2wad n THR 168 Ca -0.19 -0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 61.27 2wad n THR 168 Cb 0.49 -0.77 0.16 0.00 -2.10 0.00 0.00 70.33 68.11 2wad n THR 168 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wad h GLU 169 N -2.13 0.21 -0.25 -0.78 4.39 -1.99 -1.78 114.58 112.25 2wad h GLU 169 Ca -0.53 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 58.99 2wad h GLU 169 Cb 1.33 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 2wad h GLU 169 CO 0.41 0.70 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.46 2wad h ASP 170 N 0.16 0.48 -0.63 1.42 5.19 -2.00 -2.97 116.42 118.07 2wad h ASP 170 Ca 0.00 -0.37 0.13 0.00 -0.62 0.00 0.00 57.03 56.18 2wad h ASP 170 Cb 1.01 -0.13 -0.11 0.00 0.18 0.00 0.00 39.33 40.28 2wad h ASP 170 CO 0.08 0.73 0.01 -0.08 -3.12 0.00 0.00 179.24 176.87 2wad h GLU 171 N 0.22 0.12 -0.30 3.56 4.81 -1.84 -0.70 114.58 120.46 2wad h GLU 171 Ca 0.06 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2wad h GLU 171 Cb 0.52 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2wad h GLU 171 CO 0.02 0.08 0.32 0.87 -0.73 0.00 0.00 179.01 179.58 2wad h LYS 172 N 0.13 0.00 0.19 1.92 1.57 -1.17 -0.70 116.57 118.52 2wad h LYS 172 Ca 0.33 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.80 2wad h LYS 172 Cb 0.54 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.87 2wad h LYS 172 CO -0.53 0.00 -1.42 0.87 -0.57 0.00 0.00 179.45 177.80 2wad h LYS 173 N 0.00 0.41 -0.20 3.15 1.57 -1.10 -1.15 116.57 119.26 2wad h LYS 173 Ca 0.14 -0.70 -0.16 0.00 -1.87 0.00 0.00 60.65 58.06 2wad h LYS 173 Cb 0.79 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2wad h LYS 173 CO -0.00 1.33 -0.54 1.05 -0.57 0.00 0.00 179.45 180.71 2wad h GLU 174 N 0.11 0.59 -0.90 3.15 4.11 -1.11 -2.17 114.58 118.37 2wad h GLU 174 Ca -0.22 -0.37 0.03 0.00 0.07 0.00 0.00 59.36 58.87 2wad h GLU 174 Cb 2.08 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.33 2wad h GLU 174 CO 0.24 0.98 0.58 0.82 0.07 0.00 0.00 179.01 181.70 2wad h ILE 175 N 0.45 1.18 -0.19 -1.06 2.04 -1.14 0.23 117.51 119.02 2wad h ILE 175 Ca 0.01 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2wad h ILE 175 Cb 1.09 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2wad h ILE 175 CO 0.10 0.21 0.06 0.22 0.00 0.00 0.00 178.15 178.74 2wad h TYR 176 N 1.16 0.10 0.26 1.37 3.20 -1.03 -2.14 116.97 119.88 2wad h TYR 176 Ca 0.35 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2wad h TYR 176 Cb -0.05 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2wad h TYR 176 CO -0.01 0.05 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.36 2wad h LEU 177 N 0.14 -0.29 -0.85 2.82 3.38 -0.74 -2.80 115.31 116.96 2wad h LEU 177 Ca 0.08 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2wad h LEU 177 Cb 0.06 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.74 2wad h LEU 177 CO -0.09 -0.18 -0.37 0.15 0.09 0.00 0.00 178.44 178.04 2wad h PHE 178 N -0.38 -1.02 -0.66 1.13 3.57 -0.98 -1.68 116.94 116.92 2wad h PHE 178 Ca -0.04 0.09 0.11 0.00 3.53 0.00 0.00 57.97 61.67 2wad h PHE 178 Cb 0.29 0.57 -0.08 0.00 2.79 0.00 0.00 35.95 39.52 2wad h PHE 178 CO -0.05 -0.40 0.24 0.77 -2.23 0.00 0.00 178.31 176.64 2wad h SER 179 N -0.06 0.21 -0.23 0.41 0.02 -1.18 0.31 113.55 113.04 2wad h SER 179 Ca 0.31 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.39 2wad h SER 179 Cb 0.58 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2wad h SER 179 CO -0.88 0.11 0.02 1.56 -1.14 0.00 0.00 176.83 176.50 2wad h GLN 180 N 0.40 0.10 -0.15 3.45 1.08 -1.09 -1.73 115.11 117.18 2wad h GLN 180 Ca 0.34 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 2wad h GLN 180 Cb 0.47 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2wad h GLN 180 CO -0.35 0.07 0.01 -0.07 -0.95 0.00 0.00 178.83 177.53 2wad h LEU 181 N 0.11 0.25 -1.79 1.46 3.38 -0.21 -3.04 115.31 115.46 2wad h LEU 181 Ca 0.11 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.91 2wad h LEU 181 Cb 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2wad h LEU 181 CO -0.16 0.48 0.39 -1.13 0.09 0.00 0.00 178.44 178.11 2wad h ASN 182 N 0.01 0.20 0.54 -0.43 -1.24 -0.39 -2.32 115.58 111.96 2wad h ASN 182 Ca 0.04 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2wad h ASN 182 Cb 0.34 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2wad h ASN 182 CO 0.01 0.11 0.00 0.00 -1.29 0.00 0.00 177.43 176.26 2wad n ALA 183 N -2.57 1.63 -2.68 1.57 0.00 -0.66 -4.76 120.51 113.04 2wad n ALA 183 Ca 0.10 -0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 2wad n ALA 183 Cb 0.48 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 2wad n ALA 183 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wad s VAL 184 N -3.11 5.05 0.94 0.00 1.01 -0.87 -5.05 120.40 118.37 2wad s VAL 184 Ca 0.06 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 2wad s VAL 184 Cb 0.09 -3.98 0.16 0.00 0.00 0.00 0.00 36.38 32.65 2wad s VAL 184 CO 0.29 0.29 1.09 -0.83 0.00 0.00 0.00 175.10 175.95 2wad s GLY 185 N 0.61 1.63 0.05 4.51 0.00 -1.26 -4.89 107.32 107.96 2wad s GLY 185 Ca 0.34 0.14 -0.34 0.00 0.00 0.00 0.00 44.72 44.86 2wad s GLY 185 CO 0.16 0.64 1.69 0.70 0.00 0.00 0.00 173.10 176.30 2wad n ASN 186 N -4.15 3.15 0.00 1.64 3.02 -1.26 -1.82 115.26 115.84 2wad n ASN 186 Ca 0.08 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2wad n ASN 186 Cb 0.54 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2wad n ASN 186 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2wad n PHE 187 N 4.66 0.00 -2.26 3.10 3.01 0.38 -4.97 117.46 121.38 2wad n PHE 187 Ca 0.19 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.40 2wad n PHE 187 Cb 0.28 -0.88 0.06 0.00 -0.01 0.00 0.00 39.48 38.93 2wad n PHE 187 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wad s ALA 188 N -2.21 3.23 -0.12 4.37 0.00 -0.75 -4.79 121.76 121.48 2wad s ALA 188 Ca 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 2wad s ALA 188 Cb 0.00 -2.57 0.03 0.00 0.00 0.00 0.00 23.12 20.58 2wad s ALA 188 CO 0.00 -1.18 -0.09 0.99 0.00 0.00 0.00 175.76 175.48 2wad s THR 189 N -3.17 1.16 0.17 0.00 2.01 -1.26 -2.15 115.64 112.40 2wad s THR 189 Ca 0.59 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.26 2wad s THR 189 Cb -0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 2wad s THR 189 CO 0.44 0.38 -0.12 -0.83 -0.69 0.00 0.00 174.62 173.80 2wad s GLY 190 N 1.65 1.22 0.09 4.40 0.00 -0.66 -4.96 107.32 109.06 2wad s GLY 190 Ca 0.05 -1.55 -0.27 0.00 0.00 0.00 0.00 44.72 42.94 2wad s GLY 190 CO -0.09 -1.65 0.86 -1.59 0.00 0.00 0.00 173.10 170.64 2wad s THR 191 N -3.10 4.59 -0.67 0.90 2.01 -1.26 -0.74 115.64 117.37 2wad s THR 191 Ca 0.19 1.85 -0.17 0.00 0.31 0.00 0.00 61.69 63.87 2wad s THR 191 Cb 0.01 -4.22 0.15 0.00 0.01 0.00 0.00 72.50 68.44 2wad s THR 191 CO 0.03 0.35 0.69 -0.63 -0.69 0.00 0.00 174.62 174.38 2wad s ILE 192 N -0.11 5.15 0.16 1.82 -1.09 0.36 -4.92 121.20 122.57 2wad s ILE 192 Ca 0.42 -1.60 -0.32 0.00 -2.23 0.00 0.00 60.65 56.93 2wad s ILE 192 Cb -0.22 -4.46 -0.10 0.00 -1.58 0.00 0.00 42.46 36.10 2wad s ILE 192 CO 0.27 -1.05 1.60 0.00 -1.23 0.00 0.00 174.94 174.53 2wad s ALA 193 N 1.66 3.80 0.20 9.38 0.00 -1.26 -4.56 121.76 130.98 2wad s ALA 193 Ca 0.12 1.39 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 2wad s ALA 193 Cb -0.21 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 2wad s ALA 193 CO -0.00 -0.83 0.20 -0.08 0.00 0.00 0.00 175.76 175.05 2wad s THR 194 N 1.27 0.01 0.44 0.00 -1.32 -1.26 -5.01 115.64 109.76 2wad s THR 194 Ca 0.71 -1.87 -0.26 0.00 -1.21 0.00 0.00 61.69 59.07 2wad s THR 194 Cb -0.44 -2.40 -0.09 0.00 -1.51 0.00 0.00 72.50 68.05 2wad s THR 194 CO 0.31 -0.03 1.41 0.47 -2.21 0.00 0.00 174.62 174.57 2wad n ASP 195 N -0.28 3.22 -4.44 8.08 8.00 -0.82 -4.87 116.55 125.45 2wad n ASP 195 Ca 0.01 1.13 -0.46 0.00 0.71 0.00 0.00 54.79 56.18 2wad n ASP 195 Cb 0.65 -1.58 -0.02 0.00 -0.02 0.00 0.00 41.12 40.14 2wad n ASP 195 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2wad n PRO 196 N -0.07 0.36 -3.74 -0.24 -0.02 -1.26 -4.72 135.00 125.31 2wad n PRO 196 Ca 0.05 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.28 2wad n PRO 196 Cb 0.41 -1.23 -0.12 0.00 -0.02 0.00 0.00 33.50 32.53 2wad n PRO 196 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wad s LEU 197 N 2.42 3.73 1.35 2.45 1.43 -1.26 -4.99 118.68 123.81 2wad s LEU 197 Ca 0.62 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 2wad s LEU 197 Cb -0.83 -1.92 0.34 0.00 0.03 0.00 0.00 46.19 43.81 2wad s LEU 197 CO 0.58 -0.13 0.99 0.54 0.23 0.00 0.00 176.35 178.55 2wad s ASN 198 N 1.57 -0.44 0.34 2.29 2.20 -1.26 -4.76 114.94 114.88 2wad s ASN 198 Ca 0.05 0.79 0.16 0.00 -0.94 0.00 0.00 52.86 52.92 2wad s ASN 198 Cb -0.16 -1.12 0.55 0.00 -2.00 0.00 0.00 41.25 38.52 2wad s ASN 198 CO 0.04 -4.98 1.68 0.44 -2.94 0.00 0.00 177.10 171.34 2wad h ASP 199 N -3.16 0.00 0.09 3.54 3.45 -1.99 -2.20 116.42 116.15 2wad h ASP 199 Ca -0.44 0.00 -0.28 0.00 0.43 0.00 0.00 57.03 56.74 2wad h ASP 199 Cb 1.32 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 2wad h ASP 199 CO 0.30 0.46 -1.45 -1.28 -1.57 0.00 0.00 179.24 175.70 2wad h SER 200 N 0.00 0.31 -0.44 6.45 0.87 -1.98 -2.68 113.55 116.08 2wad h SER 200 Ca -0.00 -0.81 0.09 0.00 -1.23 0.00 0.00 61.79 59.84 2wad h SER 200 Cb 0.98 -0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 62.75 2wad h SER 200 CO 0.06 1.62 -0.20 -0.61 -0.53 0.00 0.00 176.83 177.17 2wad h GLN 201 N -0.38 -0.11 -0.46 2.24 4.15 -1.94 -1.31 115.11 117.30 2wad h GLN 201 Ca -0.33 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.19 2wad h GLN 201 Cb 1.71 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 29.35 2wad h GLN 201 CO 0.01 -0.07 0.02 0.28 -1.93 0.00 0.00 178.83 177.14 2wad h VAL 202 N -0.11 0.66 0.00 2.39 2.07 -1.48 -2.89 116.25 116.89 2wad h VAL 202 Ca 0.21 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2wad h VAL 202 Cb 0.44 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wad h VAL 202 CO -0.52 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.10 2wad n ALA 203 N -2.60 1.93 0.03 1.67 0.00 -0.74 -1.44 120.51 119.37 2wad n ALA 203 Ca 0.04 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 2wad n ALA 203 Cb 0.24 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 2wad n ALA 203 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wad h VAL 204 N 0.00 1.38 -0.31 0.00 2.07 -1.09 -3.03 116.25 115.26 2wad h VAL 204 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2wad h VAL 204 Cb 0.48 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2wad h VAL 204 CO 0.00 0.66 0.20 0.40 0.02 0.00 0.00 177.57 178.85 2wad h ILE 205 N 0.03 1.09 -0.74 4.57 2.04 -1.22 -1.82 117.51 121.45 2wad h ILE 205 Ca -0.12 -0.20 0.20 0.00 1.00 0.00 0.00 64.86 65.75 2wad h ILE 205 Cb 1.54 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2wad h ILE 205 CO 0.16 0.09 0.52 0.00 0.00 0.00 0.00 178.15 178.93 2wad h ALA 206 N 1.10 2.55 0.00 1.87 0.00 -1.35 0.57 119.26 123.99 2wad h ALA 206 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wad h ALA 206 Cb -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wad h ALA 206 CO -0.02 -0.77 -0.57 0.66 0.00 0.00 0.00 179.25 178.55 2wad h SER 207 N 0.10 0.00 0.00 0.00 4.64 -1.21 -3.36 113.55 113.71 2wad h SER 207 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2wad h SER 207 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2wad h SER 207 CO -0.04 0.09 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 2wad n ILE 208 N -2.92 0.60 0.17 0.95 -0.00 -0.89 -4.79 119.36 112.47 2wad n ILE 208 Ca 0.01 -0.73 0.13 0.00 -0.00 0.00 0.00 62.75 62.17 2wad n ILE 208 Cb 0.58 0.75 0.70 0.00 -0.00 0.00 0.00 39.64 41.67 2wad n ILE 208 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 2wad h SER 209 N 0.00 0.00 0.00 7.28 4.64 -1.06 0.14 113.55 124.55 2wad h SER 209 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wad h SER 209 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2wad h SER 209 CO 0.00 0.00 0.28 0.07 -0.87 0.00 0.00 176.83 176.31 2wad h LYS 210 N 0.00 0.00 0.00 4.77 2.10 -1.85 -1.17 116.57 120.42 2wad h LYS 210 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2wad h LYS 210 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2wad h LYS 210 CO -0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 2wad h GLU 211 N 0.00 0.00 -4.65 0.07 5.08 -1.10 -3.42 114.58 110.56 2wad h GLU 211 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2wad h GLU 211 Cb 0.56 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.46 2wad h GLU 211 CO 0.00 0.00 -0.66 -1.64 -1.00 0.00 0.00 179.01 175.71 2wad s MET 212 N -3.19 2.03 0.07 2.33 -1.94 -0.44 -5.09 119.30 113.07 2wad s MET 212 Ca 0.08 -1.62 -0.36 0.00 -1.71 0.00 0.00 55.69 52.08 2wad s MET 212 Cb 0.08 -3.32 -0.16 0.00 2.01 0.00 0.00 34.83 33.45 2wad s MET 212 CO 0.63 -0.86 1.47 -2.30 -0.01 0.00 0.00 175.02 173.95 2wad n PRO 213 N 4.51 1.50 0.00 2.03 -0.02 -1.26 -1.75 135.00 140.01 2wad n PRO 213 Ca -0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2wad n PRO 213 Cb 0.42 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2wad n PRO 213 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wad n GLY 214 N 3.00 3.16 3.78 -1.23 0.00 -1.26 -4.90 105.19 107.73 2wad n GLY 214 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2wad n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wad s ILE 215 N -2.21 4.85 0.19 -0.61 -1.09 -0.72 -1.48 121.20 120.13 2wad s ILE 215 Ca 0.00 1.25 -0.21 0.00 -2.23 0.00 0.00 60.65 59.46 2wad s ILE 215 Cb 0.00 -3.93 0.05 0.00 -1.58 0.00 0.00 42.46 37.00 2wad s ILE 215 CO 0.00 0.45 0.60 -0.94 -1.23 0.00 0.00 174.94 173.82 2wad s SER 216 N -0.45 -0.42 0.01 3.58 1.04 -0.83 -4.66 113.70 111.97 2wad s SER 216 Ca 0.31 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.32 2wad s SER 216 Cb -0.19 0.61 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 2wad s SER 216 CO 0.18 -1.06 0.50 -0.63 0.98 0.00 0.00 173.24 173.21 2wad s ILE 217 N -3.81 4.93 0.17 -1.02 -1.09 -1.26 -0.70 121.20 118.41 2wad s ILE 217 Ca 0.05 1.04 -0.02 0.00 -2.23 0.00 0.00 60.65 59.48 2wad s ILE 217 Cb -0.02 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 2wad s ILE 217 CO -0.07 0.52 0.26 -1.54 -1.23 0.00 0.00 174.94 172.88 2wad n SER 218 N 2.12 -0.73 -4.54 3.58 3.41 -0.50 -4.91 113.62 112.06 2wad n SER 218 Ca -0.11 -1.84 -0.33 0.00 -0.26 0.00 0.00 58.87 56.33 2wad n SER 218 Cb 0.51 1.31 -0.12 0.00 -0.26 0.00 0.00 64.21 65.65 2wad n SER 218 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wad s THR 219 N -2.61 3.43 0.00 6.66 -4.23 -1.26 0.52 115.64 118.16 2wad s THR 219 Ca 0.12 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2wad s THR 219 Cb -0.01 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2wad s THR 219 CO 0.09 0.60 0.00 -0.24 -0.54 0.00 0.00 174.62 174.52 2wad n SER 220 N 2.27 0.81 -3.95 3.99 2.88 -0.73 -4.93 113.62 113.96 2wad n SER 220 Ca -0.18 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.26 2wad n SER 220 Cb 0.53 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 2wad n SER 220 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2wad s TRP 221 N 1.55 0.23 0.12 0.66 0.51 -1.26 -2.92 118.94 117.84 2wad s TRP 221 Ca 0.00 -0.35 0.05 0.00 -2.12 0.00 0.00 56.10 53.67 2wad s TRP 221 Cb 0.00 -0.16 -0.04 0.00 -0.81 0.00 0.00 33.47 32.46 2wad s TRP 221 CO 0.00 -0.12 0.06 -0.51 -0.51 0.00 0.00 176.95 175.87 2wad s ASP 222 N -0.99 5.27 -0.24 2.95 1.01 -0.66 -4.91 116.67 119.11 2wad s ASP 222 Ca -0.10 -0.15 -0.08 0.00 0.71 0.00 0.00 52.55 52.93 2wad s ASP 222 Cb -0.07 -1.32 -0.03 0.00 1.01 0.00 0.00 42.92 42.51 2wad s ASP 222 CO -0.01 0.13 0.09 -0.60 0.21 0.00 0.00 175.17 174.99 2wad s ARG 223 N -2.66 3.77 0.03 8.23 6.06 -1.26 -0.95 118.95 132.17 2wad s ARG 223 Ca 0.28 -0.42 0.07 0.00 -2.50 0.00 0.00 55.73 53.16 2wad s ARG 223 Cb -0.11 -3.35 -0.03 0.00 0.06 0.00 0.00 34.95 31.53 2wad s ARG 223 CO 0.21 -0.07 -0.20 -1.59 -2.50 0.00 0.00 175.30 171.14 2wad s LYS 224 N 1.33 2.05 -0.27 5.12 -2.85 0.53 -4.98 119.74 120.68 2wad s LYS 224 Ca 0.05 -0.98 -0.17 0.00 -1.00 0.00 0.00 55.97 53.87 2wad s LYS 224 Cb -0.15 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.45 2wad s LYS 224 CO 0.04 0.54 0.45 0.42 0.10 0.00 0.00 175.35 176.90 2wad s ILE 225 N -0.86 5.12 0.63 3.79 1.01 -1.26 -0.23 121.20 129.40 2wad s ILE 225 Ca 0.13 0.72 -0.15 0.00 0.00 0.00 0.00 60.65 61.35 2wad s ILE 225 Cb -0.10 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 2wad s ILE 225 CO 0.04 0.11 1.10 -0.76 0.00 0.00 0.00 174.94 175.42 2wad s LEU 226 N 2.20 3.44 -0.51 2.97 1.43 -0.70 -4.94 118.68 122.58 2wad s LEU 226 Ca 0.18 1.95 -0.27 0.00 -1.03 0.00 0.00 54.13 54.96 2wad s LEU 226 Cb -0.16 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.50 2wad s LEU 226 CO 0.10 -1.47 1.78 -1.61 0.23 0.00 0.00 176.35 175.37 2wad s GLU 227 N -4.05 2.96 0.23 1.70 2.02 -1.26 -4.70 118.70 115.59 2wad s GLU 227 Ca 0.66 0.87 -0.13 0.00 0.02 0.00 0.00 54.97 56.40 2wad s GLU 227 Cb -0.19 -4.29 -0.00 0.00 0.10 0.00 0.00 34.13 29.75 2wad s GLU 227 CO 0.39 -2.33 0.46 0.95 0.02 0.00 0.00 175.26 174.75 2wad s THR 228 N 7.95 0.01 -0.95 3.63 -4.23 -1.26 -5.03 115.64 115.76 2wad s THR 228 Ca 0.70 -1.35 0.24 0.00 -1.18 0.00 0.00 61.69 60.09 2wad s THR 228 Cb -0.15 -2.11 0.20 0.00 1.34 0.00 0.00 72.50 71.78 2wad s THR 228 CO 0.26 -0.04 1.75 -1.54 -0.54 0.00 0.00 174.62 174.50 2wad n SER 229 N -0.36 0.11 -1.35 3.99 3.41 -1.26 -2.26 113.62 115.90 2wad n SER 229 Ca -0.03 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 2wad n SER 229 Cb 0.62 -0.54 0.32 0.00 -0.26 0.00 0.00 64.21 64.35 2wad n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wad n LEU 230 N -1.61 4.00 -0.24 1.04 4.77 -1.26 -4.64 117.00 119.07 2wad n LEU 230 Ca 0.05 -2.05 -0.07 0.00 -0.03 0.00 0.00 56.01 53.91 2wad n LEU 230 Cb 0.29 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 2wad n LEU 230 CO 0.22 0.96 0.97 0.77 -1.33 0.00 0.00 177.39 178.99 2wad h SER 231 N 4.16 0.94 -0.07 -1.43 4.64 -1.73 -2.81 113.55 117.26 2wad h SER 231 Ca 0.00 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 2wad h SER 231 Cb 1.03 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2wad h SER 231 CO 0.03 0.89 0.05 0.77 -0.87 0.00 0.00 176.83 177.69 2wad h SER 232 N 0.94 0.00 0.84 4.97 4.64 -1.83 -2.58 113.55 120.53 2wad h SER 232 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2wad h SER 232 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wad h SER 232 CO -0.01 0.00 -1.06 -0.38 -0.87 0.00 0.00 176.83 174.51 2wad n ILE 233 N -4.27 0.50 0.04 0.95 5.41 -1.08 -4.16 119.36 116.75 2wad n ILE 233 Ca -0.01 -0.49 -0.13 0.00 1.00 0.00 0.00 62.75 63.12 2wad n ILE 233 Cb 0.16 -0.24 -0.08 0.00 -0.71 0.00 0.00 39.64 38.77 2wad n ILE 233 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2wad h VAL 234 N 0.00 1.09 0.00 1.39 2.07 -1.24 -2.88 116.25 116.68 2wad h VAL 234 Ca 0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2wad h VAL 234 Cb 0.95 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2wad h VAL 234 CO 0.00 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.30 2wad n GLY 235 N -0.63 -3.12 3.58 2.17 0.00 -1.25 -1.06 105.19 104.88 2wad n GLY 235 Ca -0.08 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 2wad n GLY 235 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wad s SER 236 N -1.46 3.87 0.03 1.61 1.04 -1.25 -4.86 113.70 112.69 2wad s SER 236 Ca 0.00 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.33 2wad s SER 236 Cb 0.00 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 2wad s SER 236 CO 0.00 -0.27 -0.24 -0.69 0.98 0.00 0.00 173.24 173.02 2wad s VAL 237 N -2.61 1.97 0.35 5.02 1.01 -1.26 -1.05 120.40 123.82 2wad s VAL 237 Ca 0.34 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 2wad s VAL 237 Cb 0.03 -1.68 -0.11 0.00 0.00 0.00 0.00 36.38 34.63 2wad s VAL 237 CO 0.18 0.36 1.47 -0.94 0.00 0.00 0.00 175.10 176.16 2wad s SER 238 N -1.09 6.45 0.74 3.32 1.04 0.14 -4.91 113.70 119.40 2wad s SER 238 Ca 0.10 2.94 -0.11 0.00 0.48 0.00 0.00 55.95 59.36 2wad s SER 238 Cb -0.10 -2.66 0.04 0.00 0.10 0.00 0.00 66.02 63.41 2wad s SER 238 CO 0.01 -0.80 1.08 -0.94 0.98 0.00 0.00 173.24 173.57 2wad s SER 239 N -0.07 4.84 0.29 7.02 1.04 -1.26 -4.24 113.70 121.32 2wad s SER 239 Ca 0.54 1.76 -0.02 0.00 0.48 0.00 0.00 55.95 58.71 2wad s SER 239 Cb -0.45 -2.51 0.42 0.00 0.10 0.00 0.00 66.02 63.58 2wad s SER 239 CO 0.57 -1.81 1.95 -0.08 0.98 0.00 0.00 173.24 174.86 2wad h GLU 240 N -0.91 1.09 0.37 4.02 4.81 -1.89 -2.93 114.58 119.12 2wad h GLU 240 Ca -0.44 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2wad h GLU 240 Cb 1.22 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2wad h GLU 240 CO 0.53 0.74 -0.19 -0.22 -0.73 0.00 0.00 179.01 179.14 2wad h LYS 241 N 1.12 -0.49 -1.79 1.92 1.63 -1.92 -3.25 116.57 113.78 2wad h LYS 241 Ca 0.30 0.03 -0.46 0.00 -0.85 0.00 0.00 60.65 59.67 2wad h LYS 241 Cb -0.10 0.11 -0.17 0.00 -0.60 0.00 0.00 32.23 31.47 2wad h LYS 241 CO -0.06 -0.33 0.44 0.00 -3.45 0.00 0.00 179.45 176.05 2wad n ALA 242 N -2.33 6.02 0.00 5.00 0.00 -1.11 -4.98 120.51 123.11 2wad n ALA 242 Ca -0.10 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2wad n ALA 242 Cb 0.23 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2wad n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wad n GLY 243 N 0.57 0.00 3.87 0.00 0.00 -1.19 -4.41 105.19 104.03 2wad n GLY 243 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 2wad n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wad s LEU 244 N 0.00 3.75 0.14 0.99 1.43 -0.95 -4.62 118.68 119.42 2wad s LEU 244 Ca 0.00 1.20 -0.31 0.00 -1.03 0.00 0.00 54.13 53.98 2wad s LEU 244 Cb 0.00 -4.10 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 2wad s LEU 244 CO 0.00 -0.47 1.60 -2.16 0.23 0.00 0.00 176.35 175.56 2wad s PRO 245 N -4.02 4.20 0.34 1.29 0.04 -1.26 -4.93 135.00 130.66 2wad s PRO 245 Ca 0.52 2.37 0.09 0.00 0.04 0.00 0.00 61.00 64.03 2wad s PRO 245 Cb -0.10 -3.28 0.63 0.00 0.04 0.00 0.00 34.50 31.79 2wad s PRO 245 CO 0.33 -0.65 1.80 0.00 0.04 0.00 0.00 177.00 178.52 2wad h ALA 246 N 7.26 1.31 -0.86 8.56 0.00 -1.96 -1.18 119.26 132.39 2wad h ALA 246 Ca -0.43 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.20 2wad h ALA 246 Cb 1.20 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2wad h ALA 246 CO 0.92 0.48 0.56 0.93 0.00 0.00 0.00 179.25 182.15 2wad h GLU 247 N 0.15 1.01 -0.30 0.00 3.07 -2.05 -2.71 114.58 113.76 2wad h GLU 247 Ca 0.02 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2wad h GLU 247 Cb 0.64 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2wad h GLU 247 CO 0.05 0.67 0.00 0.39 -1.40 0.00 0.00 179.01 178.72 2wad n GLU 248 N -4.46 2.35 -0.33 2.33 -0.58 -1.11 -4.72 120.64 114.13 2wad n GLU 248 Ca 0.12 -1.90 0.32 0.00 -0.42 0.00 0.00 57.16 55.28 2wad n GLU 248 Cb 0.13 -1.28 0.59 0.00 -0.57 0.00 0.00 31.44 30.31 2wad n GLU 248 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wad n ALA 249 N 0.63 1.05 0.04 0.62 0.00 -0.46 -0.52 120.51 121.87 2wad n ALA 249 Ca 0.11 0.99 -0.20 0.00 0.00 0.00 0.00 53.44 54.34 2wad n ALA 249 Cb 0.41 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 2wad n ALA 249 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wad h GLU 250 N 0.00 0.68 -0.62 0.00 4.81 -1.84 -2.86 114.58 114.75 2wad h GLU 250 Ca 0.84 -0.74 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2wad h GLU 250 Cb 2.28 0.21 -0.10 0.00 0.63 0.00 0.00 28.75 31.77 2wad h GLU 250 CO -0.72 1.32 0.04 0.77 -0.73 0.00 0.00 179.01 179.68 2wad h SER 251 N 0.35 -0.20 0.53 1.04 0.02 -1.17 -2.73 113.55 111.39 2wad h SER 251 Ca -0.13 0.14 -0.28 0.00 -0.84 0.00 0.00 61.79 60.69 2wad h SER 251 Cb 1.68 0.24 0.01 0.00 0.14 0.00 0.00 62.40 64.47 2wad h SER 251 CO 0.20 -0.09 -1.24 1.88 -1.14 0.00 0.00 176.83 176.44 2wad h TYR 252 N 0.15 0.60 -0.44 3.45 0.05 -1.42 -0.03 116.97 119.33 2wad h TYR 252 Ca 0.33 -0.42 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2wad h TYR 252 Cb 0.53 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 2wad h TYR 252 CO -0.33 1.31 0.24 -0.07 -1.05 0.00 0.00 178.16 178.26 2wad h LEU 253 N 0.11 0.56 0.38 3.88 3.38 -1.53 0.55 115.31 122.63 2wad h LEU 253 Ca -0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2wad h LEU 253 Cb 1.96 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 2wad h LEU 253 CO 0.21 0.50 -0.29 0.50 0.09 0.00 0.00 178.44 179.44 2wad h LYS 254 N 0.58 -0.62 -0.89 1.13 3.64 -1.45 -2.76 116.57 116.18 2wad h LYS 254 Ca 0.16 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.84 2wad h LYS 254 Cb 0.07 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2wad h LYS 254 CO -0.02 -0.42 0.74 0.87 -2.27 0.00 0.00 179.45 178.35 2wad h LYS 255 N -0.65 0.00 0.00 1.90 1.57 -0.98 -3.43 116.57 114.98 2wad h LYS 255 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wad h LYS 255 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2wad h LYS 255 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 2wad n GLY 256 N -1.67 0.13 3.81 3.86 0.00 -0.92 -5.09 105.19 105.31 2wad n GLY 256 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2wad n GLY 256 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wad s TYR 257 N 0.00 2.99 0.75 1.61 4.12 0.19 -4.94 117.35 122.06 2wad s TYR 257 Ca 0.00 1.29 -0.06 0.00 0.02 0.00 0.00 57.07 58.32 2wad s TYR 257 Cb 0.00 -3.00 0.11 0.00 -1.52 0.00 0.00 41.96 37.56 2wad s TYR 257 CO 0.00 -1.48 1.05 0.45 0.02 0.00 0.00 175.55 175.59 2wad s SER 258 N -3.86 4.34 0.24 2.29 0.15 -1.26 -4.28 113.70 111.32 2wad s SER 258 Ca 0.59 0.07 0.23 0.00 0.70 0.00 0.00 55.95 57.54 2wad s SER 258 Cb -0.14 -0.52 0.08 0.00 -1.71 0.00 0.00 66.02 63.72 2wad s SER 258 CO 0.55 -1.89 1.16 0.25 1.20 0.00 0.00 173.24 174.50 2wad h LEU 259 N -0.73 0.00 -2.71 3.45 5.85 -1.98 -3.26 115.31 115.94 2wad h LEU 259 Ca -0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2wad h LEU 259 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2wad h LEU 259 CO 0.48 0.01 0.00 -0.46 -0.34 0.00 0.00 178.44 178.12 2wad n ASN 260 N -2.71 3.85 -4.77 1.25 6.94 -1.26 -2.25 115.26 116.32 2wad n ASN 260 Ca 0.01 -2.00 -0.40 0.00 -0.02 0.00 0.00 54.58 52.17 2wad n ASN 260 Cb 0.54 -0.45 0.01 0.00 -2.36 0.00 0.00 39.78 37.52 2wad n ASN 260 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2wad s ASP 261 N -1.05 6.01 -0.29 0.53 1.01 -1.23 -4.74 116.67 116.90 2wad s ASP 261 Ca 0.47 2.96 -0.14 0.00 0.71 0.00 0.00 52.55 56.54 2wad s ASP 261 Cb 0.24 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 2wad s ASP 261 CO 0.32 -1.09 0.34 -0.13 0.21 0.00 0.00 175.17 174.82 2wad s ARG 262 N -2.35 3.87 0.20 8.23 0.52 -1.26 -3.94 118.95 124.22 2wad s ARG 262 Ca 0.59 -0.16 0.08 0.00 -0.52 0.00 0.00 55.73 55.71 2wad s ARG 262 Cb -0.45 -3.70 -0.05 0.00 0.52 0.00 0.00 34.95 31.28 2wad s ARG 262 CO 0.58 -0.33 -0.15 0.14 0.02 0.00 0.00 175.30 175.56 2wad s VAL 263 N 2.00 1.71 0.14 3.52 -7.23 -1.26 -4.87 120.40 114.42 2wad s VAL 263 Ca 0.13 -2.17 -0.30 0.00 -1.81 0.00 0.00 61.98 57.83 2wad s VAL 263 Cb -0.16 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 34.71 2wad s VAL 263 CO 0.11 -0.57 1.13 -0.83 -0.31 0.00 0.00 175.10 174.62 2wad s GLY 264 N -3.23 2.73 0.00 2.32 0.00 -1.26 0.28 107.32 108.16 2wad s GLY 264 Ca 0.21 0.82 0.03 0.00 0.00 0.00 0.00 44.72 45.79 2wad s GLY 264 CO 0.06 1.77 0.24 -1.30 0.00 0.00 0.00 173.10 173.87 2wad n THR 265 N 2.82 0.00 -3.64 0.90 -2.24 -0.22 -4.40 114.28 107.51 2wad n THR 265 Ca 0.04 -0.44 -0.14 0.00 -2.27 0.00 0.00 64.05 61.25 2wad n THR 265 Cb 0.46 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 2wad n THR 265 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wad s SER 266 N -1.12 -0.37 0.62 3.42 1.04 -1.23 -4.90 113.70 111.16 2wad s SER 266 Ca 0.02 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2wad s SER 266 Cb 0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2wad s SER 266 CO 0.12 -0.61 0.00 -1.22 0.98 0.00 0.00 173.24 172.51 2wad n TYR 267 N 0.77 0.00 -0.34 5.02 4.02 -1.26 -2.46 117.16 122.91 2wad n TYR 267 Ca -0.19 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.77 2wad n TYR 267 Cb 0.58 0.03 0.24 0.00 -0.02 0.00 0.00 39.34 40.17 2wad n TYR 267 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2wad h LEU 268 N 0.00 0.81 -1.17 7.72 3.38 -1.28 0.15 115.31 124.92 2wad h LEU 268 Ca 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2wad h LEU 268 Cb 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2wad h LEU 268 CO 0.00 0.40 0.11 -0.33 0.09 0.00 0.00 178.44 178.71 2wad h GLU 269 N 0.87 0.70 0.01 1.13 4.39 -0.87 -1.30 114.58 119.50 2wad h GLU 269 Ca 0.49 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 2wad h GLU 269 Cb 0.57 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2wad h GLU 269 CO -0.30 0.63 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.84 2wad h LYS 270 N 0.68 0.07 -0.95 2.33 3.64 -0.97 -2.90 116.57 118.47 2wad h LYS 270 Ca 0.15 -0.09 0.13 0.00 -1.27 0.00 0.00 60.65 59.57 2wad h LYS 270 Cb 0.25 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 2wad h LYS 270 CO -0.00 0.90 0.57 0.37 -2.27 0.00 0.00 179.45 179.02 2wad h GLN 271 N -0.71 0.86 -0.41 1.90 5.75 -0.44 -2.59 115.11 119.47 2wad h GLN 271 Ca -0.02 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.31 2wad h GLN 271 Cb 0.94 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 29.23 2wad h GLN 271 CO 0.02 0.57 0.05 0.66 -2.65 0.00 0.00 178.83 177.49 2wad n TYR 272 N -4.69 1.35 -0.25 3.99 4.02 -0.52 -4.69 117.16 116.37 2wad n TYR 272 Ca 0.18 -1.22 0.06 0.00 -0.01 0.00 0.00 57.90 56.90 2wad n TYR 272 Cb 0.37 -0.47 0.19 0.00 -0.02 0.00 0.00 39.34 39.41 2wad n TYR 272 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2wad h GLU 273 N 1.64 0.31 -0.44 -0.72 4.57 -1.24 0.64 114.58 119.34 2wad h GLU 273 Ca 0.15 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2wad h GLU 273 Cb 1.74 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 30.24 2wad h GLU 273 CO 0.41 0.21 0.23 1.49 -1.18 0.00 0.00 179.01 180.17 2wad h GLU 274 N 0.32 0.60 0.10 1.92 4.81 -1.84 -1.31 114.58 119.19 2wad h GLU 274 Ca 0.42 -0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 59.31 2wad h GLU 274 Cb 0.69 -0.12 0.03 0.00 0.63 0.00 0.00 28.75 29.98 2wad h GLU 274 CO -0.47 0.45 -1.16 0.28 -0.73 0.00 0.00 179.01 177.38 2wad h VAL 275 N 0.61 1.30 0.00 0.32 2.07 -1.37 -3.36 116.25 115.82 2wad h VAL 275 Ca 0.16 -2.41 -0.18 0.00 0.82 0.00 0.00 66.70 65.08 2wad h VAL 275 Cb 0.03 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2wad h VAL 275 CO -0.02 0.73 -0.86 -0.07 0.02 0.00 0.00 177.57 177.36 2wad h LEU 276 N 0.23 0.00 -9.51 2.57 3.38 -0.66 -2.80 115.31 108.52 2wad h LEU 276 Ca -0.17 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.27 2wad h LEU 276 Cb 1.84 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.63 2wad h LEU 276 CO 0.22 0.86 1.10 -1.58 0.09 0.00 0.00 178.44 179.14 2wad s GLN 277 N -2.87 4.14 0.50 1.13 2.00 -0.52 -0.19 119.66 123.84 2wad s GLN 277 Ca 0.01 2.58 -0.23 0.00 -2.00 0.00 0.00 55.36 55.72 2wad s GLN 277 Cb 0.10 -3.59 -0.07 0.00 0.80 0.00 0.00 33.01 30.24 2wad s GLN 277 CO 0.80 -0.84 1.20 0.41 -0.50 0.00 0.00 175.29 176.36 2wad n GLY 278 N 4.22 0.32 3.70 2.59 0.00 -1.23 -4.40 105.19 110.39 2wad n GLY 278 Ca 0.18 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2wad n GLY 278 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wad s LYS 279 N -2.49 4.46 0.22 1.61 2.20 -0.17 -4.56 119.74 121.01 2wad s LYS 279 Ca 0.67 1.60 -0.26 0.00 -0.36 0.00 0.00 55.97 57.63 2wad s LYS 279 Cb -0.47 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.32 2wad s LYS 279 CO 0.53 -0.23 0.84 1.03 -0.36 0.00 0.00 175.35 177.15 2wad s ARG 280 N 1.38 4.59 0.35 4.03 0.52 -1.26 -1.45 118.95 127.10 2wad s ARG 280 Ca 0.55 1.22 -0.27 0.00 -0.52 0.00 0.00 55.73 56.71 2wad s ARG 280 Cb -0.25 -3.12 -0.09 0.00 0.52 0.00 0.00 34.95 32.01 2wad s ARG 280 CO 0.26 0.48 1.23 -2.14 0.02 0.00 0.00 175.30 175.14 2wad s PRO 281 N -1.46 4.27 -0.03 3.54 0.02 -1.10 -4.23 135.00 136.02 2wad s PRO 281 Ca 0.41 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.48 2wad s PRO 281 Cb -0.22 -2.94 -0.00 0.00 0.02 0.00 0.00 34.50 31.36 2wad s PRO 281 CO 0.26 -0.19 -0.13 0.08 -0.33 0.00 0.00 177.00 176.70 2wad s VAL 282 N -1.24 1.09 0.13 3.83 1.01 0.96 -1.71 120.40 124.47 2wad s VAL 282 Ca 0.51 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2wad s VAL 282 Cb -0.35 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2wad s VAL 282 CO 0.46 0.32 -0.09 -0.54 0.00 0.00 0.00 175.10 175.25 2wad s LYS 283 N 0.10 0.97 -0.11 2.72 1.02 -0.64 -0.64 119.74 123.16 2wad s LYS 283 Ca -0.03 -1.36 0.04 0.00 0.02 0.00 0.00 55.97 54.64 2wad s LYS 283 Cb -0.10 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.69 2wad s LYS 283 CO 0.01 0.06 -0.23 -1.21 -0.92 0.00 0.00 175.35 173.06 2wad s GLU 284 N -3.54 2.98 -0.23 1.68 2.02 0.59 -1.26 118.70 120.94 2wad s GLU 284 Ca 0.13 -0.85 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 2wad s GLU 284 Cb 0.02 -2.28 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 2wad s GLU 284 CO -0.01 0.14 0.25 0.42 0.02 0.00 0.00 175.26 176.09 2wad s ILE 285 N 0.44 5.29 -0.12 -1.63 1.09 -0.40 0.10 121.20 125.97 2wad s ILE 285 Ca -0.17 0.38 -0.13 0.00 -1.10 0.00 0.00 60.65 59.63 2wad s ILE 285 Cb -0.17 -3.59 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 2wad s ILE 285 CO 0.07 0.30 0.28 -1.00 -0.10 0.00 0.00 174.94 174.48 2wad s HIS 286 N 1.25 3.53 0.10 3.97 3.76 0.19 -1.48 115.29 126.62 2wad s HIS 286 Ca 0.12 0.65 0.07 0.00 -0.15 0.00 0.00 55.06 55.75 2wad s HIS 286 Cb -0.14 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.26 2wad s HIS 286 CO 0.06 0.41 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.73 2wad s LEU 287 N -0.10 2.95 0.00 0.89 1.43 -0.88 0.36 118.68 123.32 2wad s LEU 287 Ca 0.17 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 2wad s LEU 287 Cb -0.13 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 44.46 2wad s LEU 287 CO 0.05 0.19 0.64 -0.90 0.23 0.00 0.00 176.35 176.56 2wad n ASP 288 N 0.82 -0.48 0.29 2.29 5.75 -0.07 -4.07 116.55 121.09 2wad n ASP 288 Ca -0.14 -1.11 0.19 0.00 -0.01 0.00 0.00 54.79 53.72 2wad n ASP 288 Cb 0.52 -0.52 0.84 0.00 -1.03 0.00 0.00 41.12 40.93 2wad n ASP 288 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2wad h LYS 289 N 0.00 0.00 -0.00 0.11 2.10 -2.01 -0.53 116.57 116.25 2wad h LYS 289 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2wad h LYS 289 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2wad h LYS 289 CO 0.15 0.00 -0.53 0.72 -2.00 0.00 0.00 179.45 177.79 2wad n HIS 290 N -3.07 0.00 -0.29 0.07 8.25 -1.26 -4.94 115.22 113.99 2wad n HIS 290 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wad n HIS 290 Cb 0.24 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2wad n HIS 290 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wad n GLY 291 N 1.49 0.84 3.71 -1.41 0.00 -0.20 -5.06 105.19 104.55 2wad n GLY 291 Ca 0.06 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2wad n GLY 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wad s ASP 292 N -2.10 7.25 0.14 1.61 1.01 -1.26 -4.73 116.67 118.59 2wad s ASP 292 Ca 0.00 1.51 -0.34 0.00 0.71 0.00 0.00 52.55 54.43 2wad s ASP 292 Cb 0.00 -2.52 -0.17 0.00 1.01 0.00 0.00 42.92 41.24 2wad s ASP 292 CO 0.00 -0.23 1.13 0.80 0.21 0.00 0.00 175.17 177.08 2wad n MET 293 N 3.93 0.91 0.00 8.23 0.00 -1.26 -0.89 117.12 128.04 2wad n MET 293 Ca 0.04 0.32 0.00 0.00 -0.00 0.00 0.00 57.70 58.06 2wad n MET 293 Cb 0.51 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.93 2wad n MET 293 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2wad n GLU 294 N 1.77 2.37 -3.58 2.12 2.13 0.16 -4.79 120.64 120.82 2wad n GLU 294 Ca 0.16 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.85 2wad n GLU 294 Cb 0.21 -0.81 -0.06 0.00 0.27 0.00 0.00 31.44 31.05 2wad n GLU 294 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2wad s SER 295 N -1.70 -0.56 -0.40 4.31 0.15 -1.00 -4.97 113.70 109.52 2wad s SER 295 Ca 0.00 0.81 0.03 0.00 0.70 0.00 0.00 55.95 57.49 2wad s SER 295 Cb 0.00 0.74 0.11 0.00 -1.71 0.00 0.00 66.02 65.16 2wad s SER 295 CO 0.00 -0.37 0.15 -0.69 1.20 0.00 0.00 173.24 173.53 2wad s VAL 296 N -0.56 1.98 -0.33 4.45 1.01 -1.26 -0.64 120.40 125.06 2wad s VAL 296 Ca -0.03 -2.51 -0.12 0.00 0.00 0.00 0.00 61.98 59.32 2wad s VAL 296 Cb -0.02 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2wad s VAL 296 CO 0.03 -0.72 0.21 -0.70 0.00 0.00 0.00 175.10 173.91 2wad s GLU 297 N 0.58 3.46 0.47 2.72 2.12 0.11 -4.95 118.70 123.22 2wad s GLU 297 Ca 0.14 -0.66 -0.19 0.00 0.36 0.00 0.00 54.97 54.62 2wad s GLU 297 Cb -0.22 -3.71 -0.09 0.00 0.26 0.00 0.00 34.13 30.37 2wad s GLU 297 CO -0.07 -0.42 0.99 0.54 -0.54 0.00 0.00 175.26 175.75 2wad s ASN 298 N 1.68 6.64 0.00 -1.70 2.20 -1.26 0.22 114.94 122.72 2wad s ASN 298 Ca 0.06 1.73 0.00 0.00 -0.94 0.00 0.00 52.86 53.70 2wad s ASN 298 Cb -0.17 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.54 2wad s ASN 298 CO 0.09 -0.57 0.00 -0.38 -2.94 0.00 0.00 177.10 173.30 2wad n ILE 299 N -1.04 0.00 -3.93 0.54 5.41 0.18 -4.81 119.36 115.72 2wad n ILE 299 Ca 0.08 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.67 2wad n ILE 299 Cb 0.54 -0.82 -0.15 0.00 -0.71 0.00 0.00 39.64 38.49 2wad n ILE 299 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2wad s GLU 300 N -1.93 0.22 0.26 0.38 2.02 -0.88 -4.97 118.70 113.79 2wad s GLU 300 Ca 0.00 0.04 -0.14 0.00 0.02 0.00 0.00 54.97 54.89 2wad s GLU 300 Cb 0.00 -0.35 -0.08 0.00 0.10 0.00 0.00 34.13 33.80 2wad s GLU 300 CO 0.00 -0.08 0.66 -1.21 0.02 0.00 0.00 175.26 174.65 2wad s GLU 301 N 0.68 3.99 0.50 1.61 2.02 -1.26 -0.02 118.70 126.21 2wad s GLU 301 Ca -0.06 0.58 -0.01 0.00 0.02 0.00 0.00 54.97 55.50 2wad s GLU 301 Cb -0.09 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.51 2wad s GLU 301 CO -0.01 0.28 0.74 0.20 0.02 0.00 0.00 175.26 176.49 2wad s GLY 302 N -2.11 1.61 -0.02 -1.39 0.00 -1.26 -4.63 107.32 99.53 2wad s GLY 302 Ca 0.48 -1.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.05 2wad s GLY 302 CO 0.19 -0.80 0.30 -1.35 0.00 0.00 0.00 173.10 171.44 2wad s SER 303 N -4.27 -0.18 0.17 1.64 1.04 -0.53 -4.88 113.70 106.70 2wad s SER 303 Ca 0.51 0.08 -0.32 0.00 0.48 0.00 0.00 55.95 56.70 2wad s SER 303 Cb -0.10 0.31 -0.16 0.00 0.10 0.00 0.00 66.02 66.17 2wad s SER 303 CO 0.40 -0.43 1.00 1.17 0.98 0.00 0.00 173.24 176.35 2wad n LYS 304 N 1.33 0.81 -0.69 4.02 4.81 -1.26 -1.00 118.16 126.17 2wad n LYS 304 Ca -0.21 0.29 -0.32 0.00 -0.87 0.00 0.00 58.31 57.19 2wad n LYS 304 Cb 0.56 -1.66 0.16 0.00 0.02 0.00 0.00 35.03 34.11 2wad n LYS 304 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wad n GLY 305 N 1.82 -2.32 3.93 3.14 0.00 0.11 -4.57 105.19 107.30 2wad n GLY 305 Ca 0.15 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 2wad n GLY 305 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wad s LYS 306 N -3.56 2.21 0.13 1.61 -0.14 -1.06 -3.87 119.74 115.05 2wad s LYS 306 Ca 0.57 -0.24 0.07 0.00 -1.36 0.00 0.00 55.97 55.02 2wad s LYS 306 Cb -0.15 -2.16 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 2wad s LYS 306 CO 0.66 -1.24 -0.07 -0.80 -0.76 0.00 0.00 175.35 173.15 2wad s ASN 307 N -4.51 4.53 -0.02 2.83 -0.87 -0.11 -3.81 114.94 112.97 2wad s ASN 307 Ca 0.60 -0.39 0.04 0.00 -1.57 0.00 0.00 52.86 51.55 2wad s ASN 307 Cb -0.11 -0.90 -0.03 0.00 -0.02 0.00 0.00 41.25 40.19 2wad s ASN 307 CO 0.45 0.15 -0.14 0.27 -2.57 0.00 0.00 177.10 175.26 2wad s ILE 308 N -1.38 3.12 -0.18 0.60 -4.36 -0.94 0.46 121.20 118.52 2wad s ILE 308 Ca 0.23 -0.82 -0.03 0.00 -0.26 0.00 0.00 60.65 59.78 2wad s ILE 308 Cb -0.11 -2.26 -0.02 0.00 1.25 0.00 0.00 42.46 41.32 2wad s ILE 308 CO 0.15 0.51 -0.05 -0.75 0.24 0.00 0.00 174.94 175.04 2wad s LYS 309 N -0.98 3.52 0.75 0.37 2.20 -0.84 -1.67 119.74 123.09 2wad s LYS 309 Ca 0.13 -0.58 -0.11 0.00 -0.36 0.00 0.00 55.97 55.04 2wad s LYS 309 Cb -0.11 -2.92 0.04 0.00 -1.51 0.00 0.00 37.83 33.34 2wad s LYS 309 CO 0.03 0.06 1.09 -0.51 -0.36 0.00 0.00 175.35 175.66 2wad s LEU 310 N 0.81 2.76 0.22 5.43 1.43 0.70 0.60 118.68 130.62 2wad s LEU 310 Ca -0.02 1.24 0.24 0.00 -1.03 0.00 0.00 54.13 54.57 2wad s LEU 310 Cb -0.15 -3.96 0.38 0.00 0.03 0.00 0.00 46.19 42.50 2wad s LEU 310 CO 0.02 -1.66 1.42 0.71 0.23 0.00 0.00 176.35 177.07 2wad h THR 311 N -0.87 0.00 -3.33 5.49 1.35 -0.54 -3.15 112.91 111.85 2wad h THR 311 Ca -0.46 -0.69 -0.57 0.00 -0.55 0.00 0.00 66.41 64.15 2wad h THR 311 Cb 1.26 1.42 -0.06 0.00 -1.73 0.00 0.00 68.15 69.04 2wad h THR 311 CO 0.61 0.00 0.00 -0.63 -0.25 0.00 0.00 175.52 175.25 2wad s ILE 312 N -3.20 4.97 -0.21 6.82 1.01 -1.22 -4.69 121.20 124.68 2wad s ILE 312 Ca 0.06 1.27 -0.16 0.00 0.00 0.00 0.00 60.65 61.82 2wad s ILE 312 Cb 0.11 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2wad s ILE 312 CO 0.70 0.37 0.42 -0.62 0.00 0.00 0.00 174.94 175.80 2wad s ASP 313 N 0.15 6.43 0.29 3.58 -1.08 -1.26 -1.46 116.67 123.31 2wad s ASP 313 Ca 0.32 0.51 0.03 0.00 -0.52 0.00 0.00 52.55 52.89 2wad s ASP 313 Cb -0.18 -2.24 0.71 0.00 -1.46 0.00 0.00 42.92 39.76 2wad s ASP 313 CO 0.17 -0.12 1.67 -0.07 0.52 0.00 0.00 175.17 177.34 2wad h LEU 314 N 7.87 0.14 -0.18 -1.34 4.07 -1.95 -0.43 115.31 123.49 2wad h LEU 314 Ca -0.35 0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 2wad h LEU 314 Cb 1.16 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 2wad h LEU 314 CO 0.71 -0.09 0.05 0.00 -1.08 0.00 0.00 178.44 178.03 2wad h ALA 315 N 1.75 0.23 -0.10 1.53 0.00 -1.98 0.26 119.26 120.95 2wad h ALA 315 Ca 0.55 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.36 2wad h ALA 315 Cb 1.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2wad h ALA 315 CO -0.60 -0.14 -0.07 0.35 0.00 0.00 0.00 179.25 178.79 2wad h PHE 316 N 0.11 -0.17 -0.89 0.00 3.57 -1.80 -1.47 116.94 116.29 2wad h PHE 316 Ca 0.06 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2wad h PHE 316 Cb 0.23 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 2wad h PHE 316 CO 0.00 -0.11 0.58 0.37 -2.23 0.00 0.00 178.31 176.92 2wad h GLN 317 N -0.08 1.05 -0.65 1.11 5.75 -0.77 -0.73 115.11 120.79 2wad h GLN 317 Ca 0.06 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2wad h GLN 317 Cb 0.17 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 2wad h GLN 317 CO -0.15 0.70 0.20 -0.44 -2.65 0.00 0.00 178.83 176.49 2wad h ASP 318 N 1.08 0.95 0.51 -0.69 3.32 -0.15 -1.79 116.42 119.65 2wad h ASP 318 Ca 0.36 -0.21 -0.20 0.00 0.02 0.00 0.00 57.03 57.00 2wad h ASP 318 Cb 0.06 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2wad h ASP 318 CO -0.11 0.90 -0.88 0.77 -1.72 0.00 0.00 179.24 178.20 2wad h SER 319 N 0.94 0.33 -0.20 6.45 4.64 -0.32 -1.84 113.55 123.55 2wad h SER 319 Ca 0.21 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2wad h SER 319 Cb 0.29 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2wad h SER 319 CO -0.01 1.06 0.11 0.58 -0.87 0.00 0.00 176.83 177.70 2wad h VAL 320 N 0.14 1.11 -0.77 0.95 2.07 -1.10 -1.77 116.25 116.89 2wad h VAL 320 Ca -0.05 -0.30 0.16 0.00 0.82 0.00 0.00 66.70 67.32 2wad h VAL 320 Cb 1.51 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 32.13 2wad h VAL 320 CO 0.14 0.11 0.28 0.44 0.02 0.00 0.00 177.57 178.56 2wad h ASP 321 N 0.21 0.22 -0.35 0.57 3.45 -1.19 -1.09 116.42 118.24 2wad h ASP 321 Ca 0.07 0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 2wad h ASP 321 Cb 0.08 0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 2wad h ASP 321 CO -0.01 0.06 0.03 0.00 -1.57 0.00 0.00 179.24 177.74 2wad h ALA 322 N 1.58 0.46 0.04 3.45 0.00 -1.17 -1.36 119.26 122.27 2wad h ALA 322 Ca 0.43 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2wad h ALA 322 Cb 0.70 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2wad h ALA 322 CO -0.45 0.20 -0.16 1.25 0.00 0.00 0.00 179.25 180.09 2wad h LEU 323 N 0.41 -0.46 -0.96 0.00 5.85 -0.85 0.41 115.31 119.71 2wad h LEU 323 Ca 0.10 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2wad h LEU 323 Cb 0.41 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 2wad h LEU 323 CO 0.01 -0.23 0.57 -0.07 -0.34 0.00 0.00 178.44 178.39 2wad h LEU 324 N -0.29 1.14 -0.49 2.25 4.07 -1.10 0.74 115.31 121.63 2wad h LEU 324 Ca 0.04 -0.07 -0.13 0.00 0.08 0.00 0.00 57.88 57.80 2wad h LEU 324 Cb 0.33 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2wad h LEU 324 CO -0.13 0.88 -0.22 0.50 -1.08 0.00 0.00 178.44 178.39 2wad h LYS 325 N 1.31 1.00 0.54 1.13 3.64 -0.85 0.45 116.57 123.79 2wad h LYS 325 Ca 0.34 -0.43 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2wad h LYS 325 Cb -0.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2wad h LYS 325 CO -0.06 1.11 -0.28 1.03 -2.27 0.00 0.00 179.45 178.98 2wad h SER 326 N 0.86 -0.68 -0.39 4.20 0.87 0.82 -2.15 113.55 117.09 2wad h SER 326 Ca 0.11 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2wad h SER 326 Cb 0.80 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2wad h SER 326 CO 0.07 -0.46 0.16 1.88 -0.53 0.00 0.00 176.83 177.94 2wad h TYR 327 N -0.76 0.28 -0.65 2.24 0.05 -0.90 -2.37 116.97 114.86 2wad h TYR 327 Ca -0.07 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 2wad h TYR 327 Cb 0.59 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 2wad h TYR 327 CO -0.05 0.13 0.40 0.35 -1.05 0.00 0.00 178.16 177.93 2wad h PHE 328 N 0.33 0.86 -0.58 4.88 3.57 -0.86 -1.15 116.94 123.99 2wad h PHE 328 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2wad h PHE 328 Cb 0.13 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2wad h PHE 328 CO -0.13 0.58 0.17 -0.91 -2.23 0.00 0.00 178.31 175.80 2wad h ASN 329 N 0.89 0.81 -0.44 0.41 2.35 -1.33 -0.29 115.58 117.98 2wad h ASN 329 Ca 0.23 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2wad h ASN 329 Cb -0.03 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2wad h ASN 329 CO -0.04 0.77 0.27 -1.28 -1.65 0.00 0.00 177.43 175.49 2wad h SER 330 N 0.85 0.53 0.62 5.81 0.87 -1.02 0.16 113.55 121.36 2wad h SER 330 Ca 0.19 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2wad h SER 330 Cb 0.26 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2wad h SER 330 CO -0.01 0.42 -0.32 -0.33 -0.53 0.00 0.00 176.83 176.06 2wad h GLU 331 N 0.58 0.00 -0.14 2.24 4.39 -0.88 0.24 114.58 121.01 2wad h GLU 331 Ca 0.16 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 2wad h GLU 331 Cb -0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2wad h GLU 331 CO -0.03 0.32 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.60 2wad h LEU 332 N 0.00 0.40 -0.56 1.33 3.38 -0.63 -0.39 115.31 118.83 2wad h LEU 332 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2wad h LEU 332 Cb 0.72 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2wad h LEU 332 CO 0.04 0.82 0.37 1.23 0.09 0.00 0.00 178.44 180.99 2wad h GLY 333 N 1.22 0.80 -0.56 0.83 0.00 0.13 -2.74 103.07 102.75 2wad h GLY 333 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2wad h GLY 333 CO 0.08 0.30 -0.27 1.16 0.00 0.00 0.00 176.54 177.81 2wad n ASN 334 N -4.68 1.69 0.00 0.19 0.23 -0.63 -4.96 115.26 107.11 2wad n ASN 334 Ca 0.04 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 2wad n ASN 334 Cb 0.03 0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 2wad n ASN 334 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wad n GLY 335 N 1.35 0.91 0.23 4.83 0.00 -0.93 -4.95 105.19 106.63 2wad n GLY 335 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 2wad n GLY 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wad h GLY 336 N 0.00 0.00 -2.97 -0.02 0.00 -1.41 -2.86 103.07 95.81 2wad h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wad h GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2wad n ALA 337 N -2.44 2.88 -0.20 3.60 0.00 -0.37 -1.60 120.51 122.38 2wad n ALA 337 Ca -0.02 -1.49 -0.02 0.00 0.00 0.00 0.00 53.44 51.92 2wad n ALA 337 Cb 0.25 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.79 2wad n ALA 337 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wad h LYS 338 N 4.18 0.47 -0.46 0.00 3.64 -1.75 -1.69 116.57 120.97 2wad h LYS 338 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wad h LYS 338 Cb 1.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2wad h LYS 338 CO 0.16 0.31 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 2wad n TYR 339 N -4.92 1.50 -2.87 1.91 4.01 -1.26 -4.98 117.16 110.55 2wad n TYR 339 Ca 0.07 -0.75 -0.41 0.00 -0.16 0.00 0.00 57.90 56.65 2wad n TYR 339 Cb 0.21 -0.38 -0.04 0.00 -0.31 0.00 0.00 39.34 38.83 2wad n TYR 339 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wad s SER 340 N -1.24 7.19 0.00 7.72 0.15 -0.64 -4.87 113.70 122.02 2wad s SER 340 Ca 0.48 1.44 0.19 0.00 0.70 0.00 0.00 55.95 58.76 2wad s SER 340 Cb 0.36 -2.49 0.97 0.00 -1.71 0.00 0.00 66.02 63.15 2wad s SER 340 CO 0.15 -0.18 1.59 -0.62 1.20 0.00 0.00 173.24 175.37 2wad n GLU 341 N 3.77 0.29 -0.68 5.44 4.71 -1.26 -4.65 120.64 128.25 2wad n GLU 341 Ca 0.02 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 2wad n GLU 341 Cb 0.51 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.44 2wad n GLU 341 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wad n GLY 342 N 0.33 0.64 3.10 0.62 0.00 -1.26 -0.45 105.19 108.16 2wad n GLY 342 Ca 0.09 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 2wad n GLY 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wad s VAL 343 N -2.44 0.02 0.02 1.61 0.11 -0.45 -4.11 120.40 115.16 2wad s VAL 343 Ca 0.00 -0.19 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 2wad s VAL 343 Cb 0.00 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2wad s VAL 343 CO 0.00 -0.10 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.32 2wad s TYR 344 N -0.33 0.27 -0.09 1.54 2.02 -0.40 -0.81 117.35 119.54 2wad s TYR 344 Ca -0.04 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 2wad s TYR 344 Cb -0.03 -0.18 0.02 0.00 -0.40 0.00 0.00 41.96 41.37 2wad s TYR 344 CO 0.01 -0.10 0.24 0.00 -1.57 0.00 0.00 175.55 174.13 2wad s ALA 345 N -0.89 -0.60 -0.04 3.71 0.00 -0.41 -0.61 121.76 122.92 2wad s ALA 345 Ca -0.09 0.70 0.01 0.00 0.00 0.00 0.00 51.96 52.58 2wad s ALA 345 Cb -0.06 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.67 2wad s ALA 345 CO -0.00 -0.12 -0.02 0.08 0.00 0.00 0.00 175.76 175.69 2wad s VAL 346 N 0.20 0.39 -0.08 0.00 1.01 -0.88 -0.68 120.40 120.35 2wad s VAL 346 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2wad s VAL 346 Cb -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 2wad s VAL 346 CO -0.00 0.20 -0.14 0.00 0.00 0.00 0.00 175.10 175.16 2wad s ALA 347 N 1.06 2.63 0.08 5.51 0.00 0.04 -1.51 121.76 129.56 2wad s ALA 347 Ca -0.09 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2wad s ALA 347 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 2wad s ALA 347 CO -0.01 0.44 -0.15 -0.51 0.00 0.00 0.00 175.76 175.53 2wad s LEU 348 N -0.32 2.29 -0.41 0.00 1.43 0.13 -0.78 118.68 121.03 2wad s LEU 348 Ca 0.03 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 2wad s LEU 348 Cb -0.13 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.57 2wad s LEU 348 CO 0.03 -0.07 1.00 0.21 0.23 0.00 0.00 176.35 177.74 2wad s ASN 349 N -1.82 6.66 0.05 2.29 3.84 -0.16 -0.76 114.94 125.04 2wad s ASN 349 Ca -0.00 0.50 0.20 0.00 0.21 0.00 0.00 52.86 53.77 2wad s ASN 349 Cb -0.09 -2.49 0.82 0.00 -0.55 0.00 0.00 41.25 38.93 2wad s ASN 349 CO 0.02 -1.00 1.62 -0.81 -2.79 0.00 0.00 177.10 174.14 2wad n PRO 350 N 7.14 0.05 0.12 0.43 -0.04 -1.26 -0.51 135.00 140.93 2wad n PRO 350 Ca 0.09 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.84 2wad n PRO 350 Cb 0.48 -1.58 0.03 0.00 -0.04 0.00 0.00 33.50 32.39 2wad n PRO 350 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2wad h GLN 351 N 0.00 0.00 0.00 0.54 4.20 -1.90 -3.42 115.11 114.53 2wad h GLN 351 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wad h GLN 351 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2wad h GLN 351 CO 0.00 0.17 -0.12 0.25 -0.67 0.00 0.00 178.83 178.46 2wad n THR 352 N -2.94 0.00 -0.36 -0.54 -2.24 -1.12 -5.02 114.28 102.06 2wad n THR 352 Ca -0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2wad n THR 352 Cb 0.65 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 2wad n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wad n GLY 353 N 0.33 1.00 3.71 3.38 0.00 0.34 -4.59 105.19 109.36 2wad n GLY 353 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2wad n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wad n ALA 354 N -0.60 1.70 -2.61 4.61 0.00 -1.24 -0.82 120.51 121.56 2wad n ALA 354 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2wad n ALA 354 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.05 2wad n ALA 354 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wad s VAL 355 N -0.36 4.84 -0.00 0.00 1.01 -0.42 -0.99 120.40 124.48 2wad s VAL 355 Ca 0.63 1.04 -0.10 0.00 0.00 0.00 0.00 61.98 63.55 2wad s VAL 355 Cb -0.57 -4.10 -0.31 0.00 0.00 0.00 0.00 36.38 31.40 2wad s VAL 355 CO 0.53 -0.22 0.84 -0.07 0.00 0.00 0.00 175.10 176.18 2wad h LEU 356 N 9.36 0.61 -7.00 3.92 3.38 -1.23 -3.22 115.31 121.13 2wad h LEU 356 Ca -0.25 -0.79 0.11 0.00 0.09 0.00 0.00 57.88 57.04 2wad h LEU 356 Cb 1.10 -0.20 -0.20 0.00 0.09 0.00 0.00 40.66 41.45 2wad h LEU 356 CO 0.85 1.65 0.57 -0.94 0.09 0.00 0.00 178.44 180.67 2wad s SER 357 N -7.28 -0.33 -0.23 -0.43 1.04 -1.10 -4.33 113.70 101.03 2wad s SER 357 Ca -0.11 0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.52 2wad s SER 357 Cb 0.06 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.55 2wad s SER 357 CO 0.88 -0.41 0.05 -0.04 0.98 0.00 0.00 173.24 174.71 2wad s MET 358 N -1.87 0.68 0.02 4.02 1.00 -1.26 -0.78 119.30 121.10 2wad s MET 358 Ca 0.02 -0.63 0.06 0.00 0.00 0.00 0.00 55.69 55.14 2wad s MET 358 Cb -0.01 -2.03 -0.02 0.00 0.00 0.00 0.00 34.83 32.77 2wad s MET 358 CO -0.03 -0.76 -0.19 -1.12 0.00 0.00 0.00 175.02 172.93 2wad s SER 359 N 1.79 2.20 -0.08 3.03 0.01 0.14 -4.69 113.70 116.11 2wad s SER 359 Ca 0.02 -0.43 -0.17 0.00 1.31 0.00 0.00 55.95 56.68 2wad s SER 359 Cb -0.17 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 65.89 2wad s SER 359 CO -0.15 0.16 0.40 -0.83 0.41 0.00 0.00 173.24 173.23 2wad s GLY 360 N -0.88 -0.27 -0.10 3.44 0.00 -1.26 -1.29 107.32 106.97 2wad s GLY 360 Ca 0.06 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2wad s GLY 360 CO 0.01 0.58 -0.09 -2.27 0.00 0.00 0.00 173.10 171.33 2wad s LEU 361 N -0.69 1.34 -0.17 0.66 2.96 0.00 0.04 118.68 122.82 2wad s LEU 361 Ca -0.08 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2wad s LEU 361 Cb -0.04 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 2wad s LEU 361 CO 0.03 -0.07 0.11 -0.75 -1.32 0.00 0.00 176.35 174.35 2wad s LYS 362 N 1.35 3.90 -0.31 1.98 2.20 0.10 -1.33 119.74 127.63 2wad s LYS 362 Ca -0.02 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 2wad s LYS 362 Cb -0.14 -3.28 0.05 0.00 -1.51 0.00 0.00 37.83 32.96 2wad s LYS 362 CO -0.04 0.43 0.03 -1.58 -0.36 0.00 0.00 175.35 173.82 2wad s HIS 363 N -0.02 3.30 -0.14 4.03 5.65 0.40 -1.24 115.29 127.27 2wad s HIS 363 Ca 0.09 -1.89 -0.29 0.00 0.25 0.00 0.00 55.06 53.21 2wad s HIS 363 Cb -0.12 -2.23 -0.04 0.00 -1.18 0.00 0.00 32.58 29.02 2wad s HIS 363 CO 0.00 -0.81 1.55 0.34 -0.65 0.00 0.00 174.74 175.17 2wad s ASP 364 N 1.31 6.64 0.00 9.88 -1.08 -0.55 -4.46 116.67 128.41 2wad s ASP 364 Ca -0.04 1.90 0.28 0.00 -0.52 0.00 0.00 52.55 54.18 2wad s ASP 364 Cb -0.20 -2.53 1.50 0.00 -1.46 0.00 0.00 42.92 40.22 2wad s ASP 364 CO -0.01 -0.99 1.98 0.18 0.52 0.00 0.00 175.17 176.84 2wad n LEU 365 N 7.43 0.00 -0.11 -1.34 4.77 -1.26 -0.31 117.00 126.18 2wad n LEU 365 Ca 0.17 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.17 2wad n LEU 365 Cb 0.44 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 2wad n LEU 365 CO 0.62 -0.02 -1.22 0.29 -1.33 0.00 0.00 177.39 175.73 2wad n LYS 366 N -1.19 0.52 -0.01 3.23 5.02 -1.26 -4.72 118.16 119.75 2wad n LYS 366 Ca 0.16 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 2wad n LYS 366 Cb 0.18 -1.40 -0.16 0.00 -0.02 0.00 0.00 35.03 33.63 2wad n LYS 366 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wad n THR 367 N -3.34 0.09 -0.17 -0.18 -2.24 -1.23 -4.98 114.28 102.23 2wad n THR 367 Ca -0.39 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2wad n THR 367 Cb 0.88 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2wad n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wad n GLY 368 N 1.37 1.77 3.76 3.38 0.00 0.57 -5.02 105.19 111.02 2wad n GLY 368 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2wad n GLY 368 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wad s GLU 369 N -0.31 3.17 -0.13 1.61 2.12 -1.26 -4.58 118.70 119.32 2wad s GLU 369 Ca 0.00 1.82 -0.02 0.00 0.36 0.00 0.00 54.97 57.13 2wad s GLU 369 Cb 0.00 -2.04 -0.02 0.00 0.26 0.00 0.00 34.13 32.33 2wad s GLU 369 CO 0.00 -1.05 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.09 2wad s LEU 370 N -3.82 3.08 0.01 2.70 1.43 -1.26 -1.48 118.68 119.34 2wad s LEU 370 Ca 0.74 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 2wad s LEU 370 Cb -0.30 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2wad s LEU 370 CO 0.33 0.22 -0.03 0.42 0.23 0.00 0.00 176.35 177.52 2wad s THR 371 N 0.07 0.21 0.40 5.49 -4.23 -0.37 -4.95 115.64 112.26 2wad s THR 371 Ca -0.02 -0.50 -0.27 0.00 -1.18 0.00 0.00 61.69 59.73 2wad s THR 371 Cb -0.14 -0.26 -0.10 0.00 1.34 0.00 0.00 72.50 73.34 2wad s THR 371 CO 0.03 -0.19 1.42 -0.81 -0.54 0.00 0.00 174.62 174.53 2wad n PRO 372 N 2.35 2.38 -2.69 3.99 -0.04 -1.26 0.03 135.00 139.76 2wad n PRO 372 Ca -0.17 0.84 -0.08 0.00 -0.04 0.00 0.00 63.50 64.04 2wad n PRO 372 Cb 0.57 -2.58 0.07 0.00 -0.04 0.00 0.00 33.50 31.53 2wad n PRO 372 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2wad n ASP 373 N 0.26 -0.20 -0.34 3.54 2.03 0.11 -4.76 116.55 117.19 2wad n ASP 373 Ca 0.04 -2.61 0.13 0.00 0.52 0.00 0.00 54.79 52.86 2wad n ASP 373 Cb 0.39 0.24 0.34 0.00 -0.72 0.00 0.00 41.12 41.37 2wad n ASP 373 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2wad h SER 374 N 2.53 0.75 0.65 1.67 0.02 -1.84 0.20 113.55 117.52 2wad h SER 374 Ca -0.18 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2wad h SER 374 Cb 1.23 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2wad h SER 374 CO 0.23 0.30 0.00 -0.07 -1.14 0.00 0.00 176.83 176.14 2wad h LEU 375 N 0.75 0.00 -2.13 5.07 3.38 -1.93 -2.47 115.31 117.98 2wad h LEU 375 Ca 0.55 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.59 2wad h LEU 375 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2wad h LEU 375 CO -0.33 0.00 0.27 1.23 0.09 0.00 0.00 178.44 179.70 2wad h GLY 376 N 1.77 0.00 2.00 0.83 0.00 -1.00 -1.35 103.07 105.33 2wad h GLY 376 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2wad h GLY 376 CO 0.00 0.00 -0.23 -0.91 0.00 0.00 0.00 176.54 175.40 2wad h THR 377 N 0.00 1.05 -0.00 4.70 1.35 -1.60 -2.18 112.91 116.23 2wad h THR 377 Ca 0.13 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2wad h THR 377 Cb 0.67 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2wad h THR 377 CO -0.00 0.22 -0.35 1.33 -0.25 0.00 0.00 175.52 176.48 2wad n VAL 378 N -4.10 0.00 0.02 6.82 0.24 -0.67 -1.29 118.33 119.34 2wad n VAL 378 Ca -0.02 -0.33 0.03 0.00 -2.04 0.00 0.00 64.34 61.98 2wad n VAL 378 Cb 0.30 1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 33.66 2wad n VAL 378 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wad n THR 379 N -0.95 0.00 -4.29 3.34 -2.24 -0.60 -1.05 114.28 108.50 2wad n THR 379 Ca 0.02 -0.14 -0.27 0.00 -2.27 0.00 0.00 64.05 61.39 2wad n THR 379 Cb 0.15 0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 2wad n THR 379 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wad s ASN 380 N -2.47 4.21 0.13 3.42 0.01 -0.84 -4.69 114.94 114.72 2wad s ASN 380 Ca -0.01 -0.56 0.09 0.00 -0.71 0.00 0.00 52.86 51.66 2wad s ASN 380 Cb 0.03 -0.70 -0.04 0.00 0.41 0.00 0.00 41.25 40.95 2wad s ASN 380 CO 0.21 0.12 -0.20 0.68 -1.51 0.00 0.00 177.10 176.39 2wad s VAL 381 N -1.58 1.82 -0.01 1.60 -7.23 -1.26 -4.08 120.40 109.65 2wad s VAL 381 Ca 0.24 -1.73 -0.09 0.00 -1.81 0.00 0.00 61.98 58.59 2wad s VAL 381 Cb -0.09 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.13 2wad s VAL 381 CO 0.14 -0.15 0.19 -0.36 -0.31 0.00 0.00 175.10 174.61 2wad s PHE 382 N -1.53 -0.05 0.16 2.82 0.08 -0.11 -4.84 117.98 114.52 2wad s PHE 382 Ca 0.11 0.06 -0.32 0.00 0.12 0.00 0.00 56.93 56.91 2wad s PHE 382 Cb -0.08 0.00 -0.10 0.00 -0.57 0.00 0.00 43.02 42.27 2wad s PHE 382 CO 0.06 -0.28 1.57 0.14 -0.10 0.00 0.00 175.22 176.60 2wad s VAL 383 N -1.15 2.63 -0.21 -0.44 -7.23 -1.26 -1.26 120.40 111.49 2wad s VAL 383 Ca -0.12 0.45 0.20 0.00 -1.81 0.00 0.00 61.98 60.70 2wad s VAL 383 Cb -0.06 -3.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 2wad s VAL 383 CO 0.02 0.03 1.04 1.55 -0.31 0.00 0.00 175.10 177.43 2wad h PRO 384 N 6.84 0.00 0.00 4.82 0.13 -1.77 -3.48 132.00 138.54 2wad h PRO 384 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2wad h PRO 384 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wad h PRO 384 CO 0.91 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.23 2wad n GLY 385 N 1.25 0.69 0.00 1.56 0.00 0.08 -4.09 105.19 104.69 2wad n GLY 385 Ca -0.03 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.31 2wad n GLY 385 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wad n SER 386 N -2.23 0.01 -0.12 1.61 7.64 -1.25 -2.90 113.62 116.38 2wad n SER 386 Ca 0.00 0.50 0.18 0.00 1.01 0.00 0.00 58.87 60.56 2wad n SER 386 Cb 0.00 -0.50 0.57 0.00 -1.01 0.00 0.00 64.21 63.27 2wad n SER 386 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2wad h VAL 387 N 0.00 0.76 0.00 0.44 -1.51 -1.69 -2.85 116.25 111.40 2wad h VAL 387 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2wad h VAL 387 Cb 0.25 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 29.87 2wad h VAL 387 CO 0.00 0.05 0.00 1.33 -1.23 0.00 0.00 177.57 177.72 2wad n VAL 388 N -4.44 0.00 0.25 7.19 0.24 -1.14 -4.19 118.33 116.24 2wad n VAL 388 Ca 0.13 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.52 2wad n VAL 388 Cb 0.59 -0.39 0.65 0.00 -1.47 0.00 0.00 33.84 33.21 2wad n VAL 388 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2wad h LYS 389 N 0.00 0.00 0.00 7.34 1.57 -1.78 -1.05 116.57 122.65 2wad h LYS 389 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2wad h LYS 389 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2wad h LYS 389 CO 0.00 0.10 -0.28 0.00 -0.57 0.00 0.00 179.45 178.70 2wad h ALA 390 N 1.90 1.48 -0.04 3.86 0.00 -1.86 -2.42 119.26 122.17 2wad h ALA 390 Ca -0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 2wad h ALA 390 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wad h ALA 390 CO 0.01 0.35 -0.85 0.00 0.00 0.00 0.00 179.25 178.77 2wad h ALA 391 N 1.72 0.45 -0.44 0.00 0.00 -1.50 -2.24 119.26 117.25 2wad h ALA 391 Ca -0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 2wad h ALA 391 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wad h ALA 391 CO 0.04 0.79 0.03 1.15 0.00 0.00 0.00 179.25 181.26 2wad h THR 392 N 0.26 1.26 -0.73 0.00 2.02 -1.44 -1.65 112.91 112.62 2wad h THR 392 Ca -0.06 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.18 2wad h THR 392 Cb 1.46 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 2wad h THR 392 CO 0.15 0.34 0.45 0.40 0.37 0.00 0.00 175.52 177.23 2wad h ILE 393 N 0.61 1.06 -0.65 3.11 2.04 -1.50 -2.06 117.51 120.13 2wad h ILE 393 Ca 0.13 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.76 2wad h ILE 393 Cb 0.45 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 2wad h ILE 393 CO 0.02 0.16 0.34 0.28 0.00 0.00 0.00 178.15 178.95 2wad h SER 394 N 0.86 0.48 -0.39 1.72 0.02 -0.93 -0.98 113.55 114.33 2wad h SER 394 Ca 0.31 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 2wad h SER 394 Cb 0.08 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2wad h SER 394 CO -0.13 0.30 0.23 -1.28 -1.14 0.00 0.00 176.83 174.81 2wad h SER 395 N 0.62 0.49 -0.50 3.07 0.87 -0.93 -0.89 113.55 116.29 2wad h SER 395 Ca 0.30 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2wad h SER 395 Cb 0.24 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2wad h SER 395 CO -0.21 0.40 0.31 1.23 -0.53 0.00 0.00 176.83 178.03 2wad h GLY 396 N 0.63 0.72 0.90 5.77 0.00 -0.51 -2.17 103.07 108.41 2wad h GLY 396 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2wad h GLY 396 CO -0.03 0.28 0.07 1.49 0.00 0.00 0.00 176.54 178.35 2wad h TRP 397 N 0.67 0.54 -0.79 5.60 6.55 -0.54 -0.33 115.95 127.66 2wad h TRP 397 Ca 0.18 -0.07 -0.00 0.00 0.95 0.00 0.00 58.89 59.95 2wad h TRP 397 Cb -0.03 -0.15 -0.04 0.00 -0.86 0.00 0.00 29.16 28.08 2wad h TRP 397 CO -0.03 0.58 0.49 0.93 -1.05 0.00 0.00 178.44 179.36 2wad h GLU 398 N 0.35 1.05 -0.63 0.49 5.08 -1.09 -2.98 114.58 116.85 2wad h GLU 398 Ca 0.10 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wad h GLU 398 Cb 0.31 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2wad h GLU 398 CO 0.00 0.72 0.00 0.09 -1.00 0.00 0.00 179.01 178.83 2wad n ASN 399 N -4.39 5.02 -0.53 1.42 3.02 -0.82 -4.94 115.26 114.04 2wad n ASN 399 Ca 0.08 -2.67 -0.07 0.00 -0.03 0.00 0.00 54.58 51.89 2wad n ASN 399 Cb 0.05 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 2wad n ASN 399 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wad n GLY 400 N 0.81 0.90 0.10 7.41 0.00 -1.13 -4.90 105.19 108.38 2wad n GLY 400 Ca 0.25 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 2wad n GLY 400 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wad h VAL 401 N 0.00 0.94 -4.17 1.61 2.07 -1.32 -3.47 116.25 111.91 2wad h VAL 401 Ca -0.14 -2.69 -0.52 0.00 0.82 0.00 0.00 66.70 64.18 2wad h VAL 401 Cb 0.49 2.57 -0.27 0.00 -1.52 0.00 0.00 31.29 32.56 2wad h VAL 401 CO 0.21 0.72 -0.82 -0.76 0.02 0.00 0.00 177.57 176.93 2wad s LEU 402 N -6.63 2.12 -0.25 2.57 1.43 -0.91 -5.00 118.68 112.01 2wad s LEU 402 Ca -0.10 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2wad s LEU 402 Cb 0.07 -0.80 0.05 0.00 0.03 0.00 0.00 46.19 45.54 2wad s LEU 402 CO 0.82 0.13 -0.13 -0.55 0.23 0.00 0.00 176.35 176.86 2wad s SER 403 N -0.86 4.21 0.69 2.29 0.15 -1.26 -4.40 113.70 114.52 2wad s SER 403 Ca 0.05 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.45 2wad s SER 403 Cb -0.08 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2wad s SER 403 CO 0.01 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2wad n GLY 404 N 4.47 1.67 2.43 9.45 0.00 -1.26 -3.27 105.19 118.67 2wad n GLY 404 Ca -0.15 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2wad n GLY 404 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wad n ASN 405 N -1.75 8.18 -4.77 1.61 5.15 -1.26 -4.89 115.26 117.53 2wad n ASN 405 Ca 0.00 -2.98 -0.40 0.00 -0.60 0.00 0.00 54.58 50.60 2wad n ASN 405 Cb 0.00 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 37.82 2wad n ASN 405 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2wad s GLN 406 N -0.23 4.30 -0.04 1.20 0.74 -1.20 -4.25 119.66 120.18 2wad s GLN 406 Ca 0.59 2.12 -0.20 0.00 0.05 0.00 0.00 55.36 57.92 2wad s GLN 406 Cb 0.19 -3.00 -0.05 0.00 1.10 0.00 0.00 33.01 31.26 2wad s GLN 406 CO -0.09 -0.20 0.58 0.99 -0.55 0.00 0.00 175.29 176.02 2wad s THR 407 N -1.19 4.99 0.32 -0.34 2.01 -1.26 -3.25 115.64 116.91 2wad s THR 407 Ca 0.50 1.20 0.03 0.00 0.31 0.00 0.00 61.69 63.74 2wad s THR 407 Cb -0.38 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.15 2wad s THR 407 CO 0.49 0.38 0.07 -0.76 -0.69 0.00 0.00 174.62 174.11 2wad s LEU 408 N 0.09 2.08 -0.22 4.42 1.43 -0.25 -4.93 118.68 121.30 2wad s LEU 408 Ca 0.31 -1.39 -0.18 0.00 -1.03 0.00 0.00 54.13 51.84 2wad s LEU 408 Cb -0.17 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 2wad s LEU 408 CO 0.16 -0.64 0.48 -0.89 0.23 0.00 0.00 176.35 175.69 2wad s THR 409 N -3.38 5.12 -0.25 5.49 2.01 -1.26 -1.07 115.64 122.30 2wad s THR 409 Ca 0.36 0.86 -0.29 0.00 0.31 0.00 0.00 61.69 62.93 2wad s THR 409 Cb 0.08 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 2wad s THR 409 CO 0.15 0.17 1.25 -0.62 -0.69 0.00 0.00 174.62 174.88 2wad s ASP 410 N 1.25 6.81 0.13 3.53 -1.08 0.41 -4.81 116.67 122.92 2wad s ASP 410 Ca 0.22 1.36 -0.17 0.00 -0.52 0.00 0.00 52.55 53.44 2wad s ASP 410 Cb -0.15 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.81 2wad s ASP 410 CO 0.09 -0.93 0.42 0.00 0.52 0.00 0.00 175.17 175.27 2wad s GLN 411 N 3.85 1.09 0.60 4.34 -2.07 -1.26 -1.93 119.66 124.27 2wad s GLN 411 Ca 0.54 -0.68 -0.19 0.00 -1.82 0.00 0.00 55.36 53.20 2wad s GLN 411 Cb -0.18 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.20 2wad s GLN 411 CO 0.19 -0.43 1.30 -2.14 -1.32 0.00 0.00 175.29 172.89 2wad s PRO 412 N -3.79 2.83 -0.23 9.60 0.02 -1.26 -4.68 135.00 137.49 2wad s PRO 412 Ca 0.03 2.09 -0.05 0.00 0.02 0.00 0.00 61.00 63.08 2wad s PRO 412 Cb 0.02 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 2wad s PRO 412 CO -0.12 -1.39 0.01 0.42 -0.33 0.00 0.00 177.00 175.59 2wad s ILE 413 N -1.39 3.85 -0.26 2.83 -1.09 -0.50 -4.90 121.20 119.74 2wad s ILE 413 Ca 0.78 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.88 2wad s ILE 413 Cb -0.37 -2.77 0.07 0.00 -1.58 0.00 0.00 42.46 37.81 2wad s ILE 413 CO 0.41 0.39 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.79 2wad s VAL 414 N 1.41 1.75 0.02 2.92 1.01 -1.26 -0.97 120.40 125.28 2wad s VAL 414 Ca 0.05 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.55 2wad s VAL 414 Cb -0.15 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2wad s VAL 414 CO 0.01 -0.20 -0.05 -0.36 0.00 0.00 0.00 175.10 174.49 2wad s PHE 415 N 1.26 2.92 0.17 5.22 0.08 -1.26 -0.67 117.98 125.70 2wad s PHE 415 Ca -0.03 -0.03 -0.34 0.00 0.12 0.00 0.00 56.93 56.66 2wad s PHE 415 Cb -0.19 -1.60 -0.15 0.00 -0.57 0.00 0.00 43.02 40.51 2wad s PHE 415 CO -0.08 0.40 1.41 1.04 -0.10 0.00 0.00 175.22 177.90 2wad n GLN 416 N 1.36 1.74 -0.34 0.44 1.13 -0.48 -2.74 117.38 118.48 2wad n GLN 416 Ca -0.15 0.62 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 2wad n GLN 416 Cb 0.52 -2.29 0.00 0.00 0.11 0.00 0.00 30.24 28.58 2wad n GLN 416 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wad n GLY 417 N 2.66 0.77 3.15 1.08 0.00 -1.26 -4.77 105.19 106.82 2wad n GLY 417 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2wad n GLY 417 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wad s SER 418 N -2.97 0.14 0.62 1.61 1.04 -1.11 -5.12 113.70 107.91 2wad s SER 418 Ca 0.00 -0.54 -0.19 0.00 0.48 0.00 0.00 55.95 55.70 2wad s SER 418 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2wad s SER 418 CO 0.00 -0.58 1.28 0.00 0.98 0.00 0.00 173.24 174.92 2wad n ALA 419 N 0.51 1.18 -1.76 5.32 0.00 -1.26 -4.50 120.51 120.01 2wad n ALA 419 Ca -0.18 0.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 2wad n ALA 419 Cb 0.60 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 17.76 2wad n ALA 419 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wad s PRO 420 N -3.19 3.37 -0.19 0.00 0.02 -1.26 -4.81 135.00 128.93 2wad s PRO 420 Ca 0.79 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 64.03 2wad s PRO 420 Cb -0.39 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 2wad s PRO 420 CO 0.43 -1.03 0.07 0.42 -0.33 0.00 0.00 177.00 176.56 2wad s ILE 421 N -1.27 4.81 0.37 2.83 1.01 -0.14 -4.91 121.20 123.89 2wad s ILE 421 Ca 0.67 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.36 2wad s ILE 421 Cb -0.41 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 2wad s ILE 421 CO 0.50 0.45 0.02 -0.31 0.00 0.00 0.00 174.94 175.60 2wad s TYR 422 N 0.49 2.29 0.55 3.97 2.02 -1.26 -1.42 117.35 123.99 2wad s TYR 422 Ca 0.04 -0.76 0.08 0.00 -0.37 0.00 0.00 57.07 56.06 2wad s TYR 422 Cb -0.13 -1.54 0.10 0.00 -0.40 0.00 0.00 41.96 39.99 2wad s TYR 422 CO 0.01 0.30 0.77 0.43 -1.57 0.00 0.00 175.55 175.48 2wad n SER 423 N -0.84 1.86 0.26 2.29 7.64 -1.26 -4.78 113.62 118.79 2wad n SER 423 Ca -0.04 -2.38 0.12 0.00 1.01 0.00 0.00 58.87 57.58 2wad n SER 423 Cb 0.66 -0.42 0.76 0.00 -1.01 0.00 0.00 64.21 64.21 2wad n SER 423 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 2wad h TRP 424 N 0.00 0.00 -0.05 1.43 5.08 -1.91 -2.11 115.95 118.40 2wad h TRP 424 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 2wad h TRP 424 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 2wad h TRP 424 CO 0.00 0.00 0.00 2.48 -1.28 0.00 0.00 178.44 179.64 2wad n TYR 425 N -4.21 0.04 0.00 0.12 4.11 -1.26 -5.00 117.16 110.96 2wad n TYR 425 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 2wad n TYR 425 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.47 2wad n TYR 425 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wad n LYS 426 N 0.23 0.00 0.00 -3.48 4.76 -0.80 -1.88 118.16 116.99 2wad n LYS 426 Ca 0.18 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.74 2wad n LYS 426 Cb 0.36 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.57 2wad n LYS 426 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wad n LEU 427 N 0.00 2.30 -0.28 -0.35 4.77 -1.26 -4.66 117.00 117.52 2wad n LEU 427 Ca 0.00 -0.83 0.16 0.00 -0.03 0.00 0.00 56.01 55.31 2wad n LEU 427 Cb 0.00 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.51 2wad n LEU 427 CO 0.00 0.41 1.22 0.00 -1.33 0.00 0.00 177.39 177.69 2wad h ALA 428 N 4.08 1.97 -0.23 -1.18 0.00 -1.80 -0.05 119.26 122.05 2wad h ALA 428 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2wad h ALA 428 Cb 0.82 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2wad h ALA 428 CO 0.00 -0.27 -0.04 0.66 0.00 0.00 0.00 179.25 179.60 2wad n TYR 429 N -4.59 0.78 -3.57 0.00 4.01 -1.26 -5.10 117.16 107.43 2wad n TYR 429 Ca 0.20 -1.13 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 2wad n TYR 429 Cb 0.61 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 2wad n TYR 429 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wad n GLY 430 N -0.88 0.99 3.89 2.72 0.00 -0.03 -4.65 105.19 107.22 2wad n GLY 430 Ca 0.24 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2wad n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wad s SER 431 N -4.00 6.44 0.03 1.61 0.01 -1.26 -4.86 113.70 111.68 2wad s SER 431 Ca 0.00 0.48 -0.27 0.00 1.31 0.00 0.00 55.95 57.46 2wad s SER 431 Cb 0.00 -2.06 0.08 0.00 0.21 0.00 0.00 66.02 64.25 2wad s SER 431 CO 0.00 0.26 0.70 0.72 0.41 0.00 0.00 173.24 175.33 2wad s PHE 432 N -1.30 -0.54 0.46 2.43 -0.71 -0.81 -4.99 117.98 112.51 2wad s PHE 432 Ca 0.27 0.62 -0.23 0.00 -1.04 0.00 0.00 56.93 56.56 2wad s PHE 432 Cb -0.13 0.49 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 2wad s PHE 432 CO 0.17 -0.68 1.14 -1.25 -1.34 0.00 0.00 175.22 173.26 2wad s PRO 433 N -2.52 3.79 -0.16 1.99 0.04 -1.26 -0.44 135.00 136.43 2wad s PRO 433 Ca -0.03 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 2wad s PRO 433 Cb -0.01 -2.38 0.06 0.00 0.04 0.00 0.00 34.50 32.21 2wad s PRO 433 CO -0.03 -0.51 0.38 -1.50 0.04 0.00 0.00 177.00 175.38 2wad s ILE 434 N -1.60 -0.16 0.90 0.56 2.07 -0.24 -4.83 121.20 117.91 2wad s ILE 434 Ca 0.64 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.88 2wad s ILE 434 Cb -0.27 -0.58 0.18 0.00 0.13 0.00 0.00 42.46 41.93 2wad s ILE 434 CO 0.32 0.05 1.24 0.42 -1.91 0.00 0.00 174.94 175.06 2wad s THR 435 N 1.66 2.03 0.15 4.00 -4.23 -1.26 -1.09 115.64 116.91 2wad s THR 435 Ca -0.07 -0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 60.19 2wad s THR 435 Cb -0.10 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.81 2wad s THR 435 CO -0.12 0.00 1.46 0.00 -0.54 0.00 0.00 174.62 175.42 2wad h ALA 436 N -1.35 0.58 -0.67 3.99 0.00 -1.73 0.96 119.26 121.04 2wad h ALA 436 Ca -0.42 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.02 2wad h ALA 436 Cb 1.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2wad h ALA 436 CO 0.39 0.68 0.42 0.28 0.00 0.00 0.00 179.25 181.02 2wad h VAL 437 N 0.64 1.11 0.04 0.00 2.07 -1.91 -2.23 116.25 115.96 2wad h VAL 437 Ca 0.03 -0.29 -0.25 0.00 0.82 0.00 0.00 66.70 67.01 2wad h VAL 437 Cb 1.07 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2wad h VAL 437 CO 0.11 0.15 -1.04 -0.33 0.02 0.00 0.00 177.57 176.48 2wad h GLU 438 N 0.84 0.46 -0.86 1.57 5.08 -1.88 -1.02 114.58 118.77 2wad h GLU 438 Ca 0.26 -0.55 0.17 0.00 -1.00 0.00 0.00 59.36 58.25 2wad h GLU 438 Cb -0.01 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 2wad h GLU 438 CO -0.09 1.19 0.41 0.00 -1.00 0.00 0.00 179.01 179.52 2wad h ALA 439 N 0.60 1.32 -0.14 3.43 0.00 -0.63 0.13 119.26 123.97 2wad h ALA 439 Ca -0.11 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2wad h ALA 439 Cb 1.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2wad h ALA 439 CO 0.19 -0.20 -0.37 -0.07 0.00 0.00 0.00 179.25 178.79 2wad h LEU 440 N 0.52 0.57 -0.83 0.00 3.38 -1.07 -0.99 115.31 116.89 2wad h LEU 440 Ca 0.50 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2wad h LEU 440 Cb 0.81 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2wad h LEU 440 CO -0.43 1.05 0.49 -0.08 0.09 0.00 0.00 178.44 179.56 2wad h GLU 441 N 0.12 0.84 -0.00 1.13 4.81 -0.62 -2.78 114.58 118.08 2wad h GLU 441 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2wad h GLU 441 Cb 0.99 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.18 2wad h GLU 441 CO 0.08 0.56 -0.75 0.66 -0.73 0.00 0.00 179.01 178.83 2wad n TYR 442 N -4.69 0.00 -3.30 0.92 4.01 0.39 -2.51 117.16 111.97 2wad n TYR 442 Ca 0.13 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.71 2wad n TYR 442 Cb 0.23 -0.13 0.08 0.00 -0.31 0.00 0.00 39.34 39.21 2wad n TYR 442 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wad n SER 443 N -1.49 -2.37 -4.67 7.72 2.88 -0.50 -4.88 113.62 110.32 2wad n SER 443 Ca 0.05 -0.55 -0.42 0.00 -1.33 0.00 0.00 58.87 56.61 2wad n SER 443 Cb 0.33 -4.66 -0.03 0.00 -0.75 0.00 0.00 64.21 59.11 2wad n SER 443 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2wad s SER 444 N -4.14 6.79 0.26 -3.46 0.15 -0.50 -4.73 113.70 108.08 2wad s SER 444 Ca 0.04 2.06 0.09 0.00 0.70 0.00 0.00 55.95 58.84 2wad s SER 444 Cb -0.02 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 62.08 2wad s SER 444 CO 0.66 -0.82 1.60 0.78 1.20 0.00 0.00 173.24 176.66 2wad h ASN 445 N 8.68 0.08 -0.91 5.45 2.35 -1.91 -3.31 115.58 126.01 2wad h ASN 445 Ca -0.35 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.37 2wad h ASN 445 Cb 1.16 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.46 2wad h ASN 445 CO 0.94 0.67 0.60 0.00 -1.65 0.00 0.00 177.43 177.99 2wad h ALA 446 N 1.33 1.37 -0.48 -0.83 0.00 -1.91 -1.59 119.26 117.16 2wad h ALA 446 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2wad h ALA 446 Cb 1.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2wad h ALA 446 CO 0.08 0.57 -0.01 -0.92 0.00 0.00 0.00 179.25 178.98 2wad h TYR 447 N 1.21 0.93 0.00 0.00 3.20 -1.87 -2.28 116.97 118.15 2wad h TYR 447 Ca 0.34 -0.16 -0.21 0.00 3.14 0.00 0.00 58.73 61.83 2wad h TYR 447 Cb -0.11 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 2wad h TYR 447 CO -0.00 0.88 -1.12 -0.39 -1.64 0.00 0.00 178.16 175.89 2wad h VAL 448 N 0.70 1.30 -0.23 1.81 -1.51 -1.64 -1.62 116.25 115.07 2wad h VAL 448 Ca 0.13 -2.98 -0.12 0.00 -1.23 0.00 0.00 66.70 62.50 2wad h VAL 448 Cb 0.52 2.63 -0.00 0.00 -2.13 0.00 0.00 31.29 32.31 2wad h VAL 448 CO 0.03 0.74 -0.33 0.58 -1.23 0.00 0.00 177.57 177.36 2wad h VAL 449 N 0.00 1.32 -0.61 7.19 2.07 -1.34 -0.98 116.25 123.90 2wad h VAL 449 Ca -0.08 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 2wad h VAL 449 Cb 1.76 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 2wad h VAL 449 CO 0.10 0.48 0.29 1.56 0.02 0.00 0.00 177.57 180.02 2wad h GLN 450 N 0.34 0.88 -0.16 1.57 4.20 -1.46 -1.28 115.11 119.19 2wad h GLN 450 Ca 0.03 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.64 2wad h GLN 450 Cb 0.91 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 2wad h GLN 450 CO 0.08 0.71 -0.10 1.15 -0.67 0.00 0.00 178.83 179.99 2wad h THR 451 N 0.83 0.69 -0.17 -0.54 2.02 -1.27 -2.28 112.91 112.19 2wad h THR 451 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.40 2wad h THR 451 Cb 0.13 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2wad h THR 451 CO -0.03 0.00 0.07 0.00 0.37 0.00 0.00 175.52 175.94 2wad h ALA 452 N 1.03 0.20 -0.97 6.16 0.00 -1.03 -1.56 119.26 123.09 2wad h ALA 452 Ca 0.10 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.24 2wad h ALA 452 Cb 0.24 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2wad h ALA 452 CO -0.22 -0.36 0.63 1.25 0.00 0.00 0.00 179.25 180.54 2wad h LEU 453 N 0.16 0.49 -1.02 0.00 5.85 -1.14 -0.90 115.31 118.75 2wad h LEU 453 Ca 0.07 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 2wad h LEU 453 Cb 0.03 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2wad h LEU 453 CO -0.06 0.16 -0.46 1.23 -0.34 0.00 0.00 178.44 178.97 2wad h GLY 454 N 0.47 0.00 2.00 3.75 0.00 -0.70 -1.20 103.07 107.39 2wad h GLY 454 Ca 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.82 2wad h GLY 454 CO -0.25 0.00 -0.20 -2.22 0.00 0.00 0.00 176.54 173.87 2wad h ILE 455 N 0.00 0.68 -0.25 2.60 2.04 -0.57 -2.33 117.51 119.67 2wad h ILE 455 Ca -0.00 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2wad h ILE 455 Cb 0.87 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2wad h ILE 455 CO 0.06 0.20 0.00 0.80 0.00 0.00 0.00 178.15 179.21 2wad n MET 456 N -3.63 1.62 -1.06 2.37 1.56 -0.49 -4.67 117.12 112.82 2wad n MET 456 Ca -0.01 -0.92 -0.02 0.00 -0.27 0.00 0.00 57.70 56.47 2wad n MET 456 Cb 0.33 -1.22 -0.01 0.00 2.15 0.00 0.00 33.22 34.47 2wad n MET 456 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2wad n GLY 457 N 0.87 0.56 3.34 -5.12 0.00 -0.88 -4.78 105.19 99.19 2wad n GLY 457 Ca 0.09 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2wad n GLY 457 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wad s GLN 458 N -2.04 1.33 -0.08 1.61 -0.21 -0.97 -5.00 119.66 114.29 2wad s GLN 458 Ca 0.00 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 53.83 2wad s GLN 458 Cb 0.00 -1.13 -0.02 0.00 1.00 0.00 0.00 33.01 32.86 2wad s GLN 458 CO 0.00 0.19 -0.17 0.99 -2.12 0.00 0.00 175.29 174.18 2wad s THR 459 N -2.94 2.79 0.12 -0.19 2.01 -1.26 -3.37 115.64 112.80 2wad s THR 459 Ca 0.22 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 2wad s THR 459 Cb -0.01 -2.11 -0.08 0.00 0.01 0.00 0.00 72.50 70.32 2wad s THR 459 CO 0.07 0.56 1.32 -0.47 -0.69 0.00 0.00 174.62 175.41 2wad s TYR 460 N -0.15 3.30 -0.01 4.92 5.04 -1.26 -5.03 117.35 124.16 2wad s TYR 460 Ca -0.02 1.11 0.01 0.00 -2.44 0.00 0.00 57.07 55.74 2wad s TYR 460 Cb -0.14 -3.59 0.01 0.00 0.35 0.00 0.00 41.96 38.59 2wad s TYR 460 CO 0.04 -1.96 -0.02 -0.65 -1.34 0.00 0.00 175.55 171.61 2wad s GLN 461 N 0.77 0.29 0.31 4.97 -1.52 -1.26 -5.13 119.66 118.09 2wad s GLN 461 Ca 0.61 -0.07 -0.28 0.00 -1.95 0.00 0.00 55.36 53.67 2wad s GLN 461 Cb -0.35 -0.33 -0.14 0.00 -0.22 0.00 0.00 33.01 31.97 2wad s GLN 461 CO 0.32 0.02 1.05 -2.30 -0.25 0.00 0.00 175.29 174.13 2wad n PRO 462 N 3.31 1.48 -1.14 2.91 -0.02 -1.26 -2.22 135.00 138.06 2wad n PRO 462 Ca -0.17 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 61.79 2wad n PRO 462 Cb 0.56 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.09 2wad n PRO 462 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wad n ASN 463 N 1.11 -4.43 -4.76 2.55 3.02 0.15 -4.97 115.26 107.93 2wad n ASN 463 Ca 0.09 0.12 -0.39 0.00 -0.03 0.00 0.00 54.58 54.37 2wad n ASN 463 Cb 0.33 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.16 2wad n ASN 463 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wad s MET 464 N -1.86 3.74 -0.16 3.52 0.23 -0.94 -4.47 119.30 119.36 2wad s MET 464 Ca 0.00 2.08 -0.24 0.00 -1.03 0.00 0.00 55.69 56.50 2wad s MET 464 Cb 0.00 -2.57 -0.02 0.00 -1.53 0.00 0.00 34.83 30.71 2wad s MET 464 CO 0.00 -0.65 0.77 -0.06 -2.03 0.00 0.00 175.02 173.04 2wad s PHE 465 N -1.34 3.44 -0.18 3.16 0.08 -1.26 -1.39 117.98 120.49 2wad s PHE 465 Ca 0.62 1.19 -0.18 0.00 0.12 0.00 0.00 56.93 58.67 2wad s PHE 465 Cb -0.36 -2.94 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 2wad s PHE 465 CO 0.45 -0.18 0.49 0.08 -0.10 0.00 0.00 175.22 175.97 2wad s VAL 466 N 1.89 5.14 0.02 -0.44 1.01 -1.26 -5.01 120.40 121.74 2wad s VAL 466 Ca 0.36 0.93 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 2wad s VAL 466 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2wad s VAL 466 CO 0.13 0.23 1.10 -0.83 0.00 0.00 0.00 175.10 175.73 2wad s GLY 467 N 0.99 2.57 -0.11 4.51 0.00 -1.26 -4.97 107.32 109.05 2wad s GLY 467 Ca 0.24 0.68 0.15 0.00 0.00 0.00 0.00 44.72 45.79 2wad s GLY 467 CO 0.10 1.91 1.42 -1.30 0.00 0.00 0.00 173.10 175.23 2wad n THR 468 N 4.02 1.79 0.10 0.90 -2.24 -1.26 -4.48 114.28 113.12 2wad n THR 468 Ca 0.08 -1.43 0.06 0.00 -2.27 0.00 0.00 64.05 60.49 2wad n THR 468 Cb 0.48 0.08 0.52 0.00 -2.10 0.00 0.00 70.33 69.31 2wad n THR 468 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wad h SER 469 N 2.44 0.27 -0.58 3.42 4.64 -1.96 -2.42 113.55 119.37 2wad h SER 469 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wad h SER 469 Cb 1.23 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2wad h SER 469 CO 0.16 0.20 0.00 0.59 -0.87 0.00 0.00 176.83 176.91 2wad n ASN 470 N -4.50 5.53 -0.01 4.97 3.02 -1.26 -4.64 115.26 118.36 2wad n ASN 470 Ca 0.01 -2.85 -0.12 0.00 -0.03 0.00 0.00 54.58 51.59 2wad n ASN 470 Cb 0.08 -0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 38.50 2wad n ASN 470 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wad h LEU 471 N 3.94 0.07 -0.60 3.41 5.85 -1.74 -0.81 115.31 125.44 2wad h LEU 471 Ca 0.00 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 2wad h LEU 471 Cb 1.88 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 2wad h LEU 471 CO 0.45 0.39 0.15 -0.33 -0.34 0.00 0.00 178.44 178.76 2wad h GLU 472 N -0.25 0.96 -0.19 1.25 5.08 -1.82 -0.31 114.58 119.29 2wad h GLU 472 Ca 0.01 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2wad h GLU 472 Cb 0.36 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2wad h GLU 472 CO 0.00 0.88 0.07 1.03 -1.00 0.00 0.00 179.01 179.99 2wad h SER 473 N 0.87 0.08 0.09 1.42 0.87 -1.87 -1.46 113.55 113.54 2wad h SER 473 Ca 0.19 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2wad h SER 473 Cb 0.35 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2wad h SER 473 CO 0.00 0.07 -0.04 0.00 -0.53 0.00 0.00 176.83 176.33 2wad h ALA 474 N 1.12 -0.12 -0.65 6.23 0.00 -0.85 -1.68 119.26 123.30 2wad h ALA 474 Ca 0.08 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2wad h ALA 474 Cb 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2wad h ALA 474 CO -0.08 -0.50 0.43 1.98 0.00 0.00 0.00 179.25 181.08 2wad h MET 475 N -0.24 0.64 -0.54 0.00 -1.53 -1.06 -1.43 114.93 110.77 2wad h MET 475 Ca -0.01 -0.04 -0.11 0.00 -3.44 0.00 0.00 59.70 56.10 2wad h MET 475 Cb 0.20 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 2wad h MET 475 CO 0.02 0.42 -0.08 0.78 0.14 0.00 0.00 176.91 178.19 2wad h GLY 476 N 0.66 1.08 1.17 1.39 0.00 -0.93 -1.62 103.07 104.82 2wad h GLY 476 Ca 0.28 -0.84 -0.17 0.00 0.00 0.00 0.00 47.33 46.60 2wad h GLY 476 CO -0.09 0.77 -0.46 0.50 0.00 0.00 0.00 176.54 177.26 2wad h LYS 477 N 0.90 0.90 0.34 4.80 1.57 -0.48 -0.91 116.57 123.68 2wad h LYS 477 Ca 0.15 -0.52 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 2wad h LYS 477 Cb 0.63 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2wad h LYS 477 CO 0.04 1.16 -0.16 1.25 -0.57 0.00 0.00 179.45 181.17 2wad h LEU 478 N 0.71 -0.39 -1.80 2.94 5.85 -1.27 -2.30 115.31 119.05 2wad h LEU 478 Ca 0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2wad h LEU 478 Cb 1.06 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2wad h LEU 478 CO 0.11 -0.22 -0.15 0.03 -0.34 0.00 0.00 178.44 177.86 2wad h ARG 479 N -0.52 0.00 -0.07 1.25 3.08 -1.29 -0.93 114.38 115.89 2wad h ARG 479 Ca -0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2wad h ARG 479 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2wad h ARG 479 CO 0.08 0.15 -0.08 1.03 -1.07 0.00 0.00 179.97 180.07 2wad h SER 480 N 0.00 0.20 -0.08 7.04 0.87 -1.06 0.23 113.55 120.75 2wad h SER 480 Ca -0.00 -0.50 0.03 0.00 -1.23 0.00 0.00 61.79 60.09 2wad h SER 480 Cb 0.37 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 2wad h SER 480 CO 0.02 0.66 -0.13 0.74 -0.53 0.00 0.00 176.83 177.59 2wad h THR 481 N -0.26 0.64 -0.64 2.23 2.02 -1.00 -1.76 112.91 114.15 2wad h THR 481 Ca 0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.32 2wad h THR 481 Cb 0.61 0.64 -0.12 0.00 -1.74 0.00 0.00 68.15 67.54 2wad h THR 481 CO 0.02 0.00 -0.18 -0.26 0.37 0.00 0.00 175.52 175.47 2wad h PHE 482 N -0.19 -0.41 -0.64 3.16 0.04 -1.15 -0.71 116.94 117.05 2wad h PHE 482 Ca 0.07 0.06 0.13 0.00 2.80 0.00 0.00 57.97 61.04 2wad h PHE 482 Cb 0.29 0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 2wad h PHE 482 CO -0.23 -0.29 0.43 0.78 -0.60 0.00 0.00 178.31 178.40 2wad h GLY 483 N -0.02 0.45 1.98 -1.45 0.00 -0.70 -0.17 103.07 103.15 2wad h GLY 483 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2wad h GLY 483 CO -0.67 0.05 0.01 0.83 0.00 0.00 0.00 176.54 176.77 2wad h GLU 484 N 0.29 0.00 -0.10 4.80 5.08 -0.21 -1.10 114.58 123.34 2wad h GLU 484 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2wad h GLU 484 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2wad h GLU 484 CO -0.07 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.60 2wad n TYR 485 N -3.02 0.11 -0.62 4.33 4.01 -0.22 -4.73 117.16 117.02 2wad n TYR 485 Ca -0.03 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2wad n TYR 485 Cb 0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 2wad n TYR 485 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wad n GLY 486 N 0.72 0.72 3.48 2.72 0.00 -0.41 -2.67 105.19 109.74 2wad n GLY 486 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2wad n GLY 486 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wad s LEU 487 N 0.00 4.13 0.00 0.99 1.43 -0.37 -3.61 118.68 121.25 2wad s LEU 487 Ca 0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2wad s LEU 487 Cb 0.00 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.73 2wad s LEU 487 CO 0.00 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 175.70 2wad n GLY 488 N 5.31 0.75 3.33 -3.19 0.00 -1.26 -2.70 105.19 107.44 2wad n GLY 488 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2wad n GLY 488 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wad s SER 489 N -2.50 2.33 0.20 1.61 1.04 -1.24 -4.86 113.70 110.28 2wad s SER 489 Ca 0.00 -1.06 -0.32 0.00 0.48 0.00 0.00 55.95 55.05 2wad s SER 489 Cb 0.00 -0.10 -0.15 0.00 0.10 0.00 0.00 66.02 65.87 2wad s SER 489 CO 0.00 -0.26 1.17 0.00 0.98 0.00 0.00 173.24 175.12 2wad n ALA 490 N -0.36 -0.50 0.09 5.32 0.00 -1.26 -4.84 120.51 118.95 2wad n ALA 490 Ca -0.08 0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.81 2wad n ALA 490 Cb 0.61 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 2wad n ALA 490 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wad h THR 491 N 2.61 0.88 0.00 0.00 1.35 -1.92 -3.48 112.91 112.35 2wad h THR 491 Ca -0.43 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 2wad h THR 491 Cb 1.34 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 2wad h THR 491 CO 0.69 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 177.07 2wad n GLY 492 N 1.31 0.75 3.76 5.82 0.00 -1.26 -4.24 105.19 111.33 2wad n GLY 492 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2wad n GLY 492 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wad s ILE 493 N -2.42 2.29 -1.25 -0.61 2.07 -1.26 -4.59 121.20 115.42 2wad s ILE 493 Ca 0.00 0.22 -0.09 0.00 -1.41 0.00 0.00 60.65 59.37 2wad s ILE 493 Cb 0.00 -3.11 -0.13 0.00 0.13 0.00 0.00 42.46 39.35 2wad s ILE 493 CO 0.00 0.00 3.11 -0.90 -1.91 0.00 0.00 174.94 175.24 2wad n ASP 494 N -0.85 7.96 -4.12 4.50 5.75 -1.24 -4.81 116.55 123.74 2wad n ASP 494 Ca 0.09 -2.56 -0.15 0.00 -0.01 0.00 0.00 54.79 52.17 2wad n ASP 494 Cb 0.45 -1.53 -0.11 0.00 -1.03 0.00 0.00 41.12 38.90 2wad n ASP 494 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wad s LEU 495 N 0.10 2.30 0.25 -2.12 1.43 -1.26 -4.78 118.68 114.60 2wad s LEU 495 Ca 0.69 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 2wad s LEU 495 Cb 0.21 -0.30 0.32 0.00 0.03 0.00 0.00 46.19 46.45 2wad s LEU 495 CO -0.05 -0.18 1.89 -0.65 0.23 0.00 0.00 176.35 177.59 2wad h PRO 496 N 4.20 1.15 -3.08 1.29 0.10 -1.87 -3.42 132.00 130.37 2wad h PRO 496 Ca -0.38 -0.07 -0.25 0.00 0.10 0.00 0.00 66.00 65.40 2wad h PRO 496 Cb 1.19 -0.26 -0.33 0.00 0.10 0.00 0.00 31.00 31.70 2wad h PRO 496 CO 0.43 0.76 -0.59 0.16 0.10 0.00 0.00 178.00 178.87 2wad s ASP 497 N -5.95 0.33 0.08 -2.05 1.47 -1.26 -5.14 116.67 104.15 2wad s ASP 497 Ca -0.13 0.39 0.07 0.00 1.18 0.00 0.00 52.55 54.07 2wad s ASP 497 Cb 0.19 0.34 -0.04 0.00 -0.34 0.00 0.00 42.92 43.07 2wad s ASP 497 CO 0.81 -0.21 -0.16 -1.83 0.68 0.00 0.00 175.17 174.46 2wad s GLU 498 N 1.89 2.01 0.33 2.11 -1.05 -1.26 -4.94 118.70 117.79 2wad s GLU 498 Ca -0.02 -1.05 -0.29 0.00 -0.15 0.00 0.00 54.97 53.47 2wad s GLU 498 Cb -0.12 -2.21 -0.10 0.00 -0.44 0.00 0.00 34.13 31.26 2wad s GLU 498 CO -0.07 0.51 1.39 0.45 0.95 0.00 0.00 175.26 178.50 2wad s SER 499 N -1.86 6.62 -0.04 0.83 0.15 -0.21 -4.94 113.70 114.25 2wad s SER 499 Ca 0.17 2.80 0.19 0.00 0.70 0.00 0.00 55.95 59.81 2wad s SER 499 Cb -0.11 -2.65 0.62 0.00 -1.71 0.00 0.00 66.02 62.17 2wad s SER 499 CO 0.09 -0.67 1.52 0.35 1.20 0.00 0.00 173.24 175.73 2wad n THR 500 N 1.01 1.31 0.00 6.45 -2.24 -1.26 -4.86 114.28 114.68 2wad n THR 500 Ca 0.02 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2wad n THR 500 Cb 0.41 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2wad n THR 500 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wad n GLY 501 N 1.25 1.45 3.31 3.38 0.00 -1.26 -4.01 105.19 109.31 2wad n GLY 501 Ca 0.23 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 2wad n GLY 501 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wad s LEU 502 N 0.00 4.40 -0.38 0.99 0.20 -0.07 -4.99 118.68 118.83 2wad s LEU 502 Ca 0.00 -1.06 0.01 0.00 0.69 0.00 0.00 54.13 53.77 2wad s LEU 502 Cb 0.00 -1.92 0.12 0.00 -0.43 0.00 0.00 46.19 43.97 2wad s LEU 502 CO 0.00 -0.33 0.18 -0.69 -0.29 0.00 0.00 176.35 175.22 2wad s VAL 503 N 1.46 1.07 0.04 1.68 1.01 -1.26 -1.62 120.40 122.77 2wad s VAL 503 Ca -0.00 -2.05 -0.30 0.00 0.00 0.00 0.00 61.98 59.63 2wad s VAL 503 Cb -0.19 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 2wad s VAL 503 CO 0.04 -0.83 1.51 -2.84 0.00 0.00 0.00 175.10 172.98 2wad s PRO 504 N 0.89 4.25 0.45 2.72 0.02 -1.26 -4.88 135.00 137.18 2wad s PRO 504 Ca 0.15 2.14 0.27 0.00 0.02 0.00 0.00 61.00 63.57 2wad s PRO 504 Cb -0.22 -3.56 0.73 0.00 0.02 0.00 0.00 34.50 31.47 2wad s PRO 504 CO -0.08 -0.64 1.75 0.87 -0.33 0.00 0.00 177.00 178.57 2wad h LYS 505 N 7.96 0.00 -5.46 5.54 1.57 -2.05 -3.42 116.57 120.72 2wad h LYS 505 Ca -0.40 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.74 2wad h LYS 505 Cb 1.19 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.33 2wad h LYS 505 CO 0.91 0.00 -0.61 -2.00 -0.57 0.00 0.00 179.45 177.19 2wad s GLU 506 N -3.35 3.64 -0.02 3.15 2.12 -1.26 -5.10 118.70 117.88 2wad s GLU 506 Ca 0.05 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 2wad s GLU 506 Cb 0.07 -3.02 0.10 0.00 0.26 0.00 0.00 34.13 31.54 2wad s GLU 506 CO 0.61 0.38 0.89 1.52 -0.54 0.00 0.00 175.26 178.13 2wad s TYR 507 N 0.03 -0.35 0.19 5.30 1.13 -1.26 -5.16 117.35 117.22 2wad s TYR 507 Ca 0.03 0.26 0.01 0.00 -1.41 0.00 0.00 57.07 55.96 2wad s TYR 507 Cb -0.13 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.27 2wad s TYR 507 CO 0.02 -0.53 0.06 0.27 -2.51 0.00 0.00 175.55 172.85 2wad n ASN 508 N -0.16 2.17 -0.30 -0.18 0.23 -1.26 -5.02 115.26 110.74 2wad n ASN 508 Ca -0.09 -1.77 -0.05 0.00 -0.53 0.00 0.00 54.58 52.15 2wad n ASN 508 Cb 0.61 0.07 0.07 0.00 -2.08 0.00 0.00 39.78 38.46 2wad n ASN 508 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2wad h PHE 509 N 0.89 1.11 -0.63 -2.53 3.57 -2.00 -2.27 116.94 115.07 2wad h PHE 509 Ca -0.14 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 2wad h PHE 509 Cb 0.47 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2wad h PHE 509 CO 0.00 0.76 0.30 0.00 -2.23 0.00 0.00 178.31 177.14 2wad h ALA 510 N 1.25 1.34 -0.37 2.41 0.00 -1.99 -2.27 119.26 119.62 2wad h ALA 510 Ca 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wad h ALA 510 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2wad h ALA 510 CO -0.05 0.51 0.15 -0.91 0.00 0.00 0.00 179.25 178.95 2wad h ASN 511 N 0.89 0.51 -0.09 0.00 2.35 -1.83 -1.13 115.58 116.29 2wad h ASN 511 Ca 0.22 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2wad h ASN 511 Cb 0.10 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 2wad h ASN 511 CO -0.03 0.54 -0.16 0.15 -1.65 0.00 0.00 177.43 176.28 2wad h PHE 512 N 0.46 -0.41 -0.11 1.19 3.57 -1.23 0.88 116.94 121.29 2wad h PHE 512 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2wad h PHE 512 Cb 0.19 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 2wad h PHE 512 CO -0.00 -0.23 -0.12 0.82 -2.23 0.00 0.00 178.31 176.55 2wad h ILE 513 N -0.21 0.67 -0.15 1.41 1.08 -1.33 -2.45 117.51 116.53 2wad h ILE 513 Ca 0.08 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.51 2wad h ILE 513 Cb 0.33 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2wad h ILE 513 CO -0.22 0.00 -0.12 0.71 -0.69 0.00 0.00 178.15 177.83 2wad h THR 514 N -0.15 1.17 -0.35 -0.27 1.35 -1.00 -1.96 112.91 111.71 2wad h THR 514 Ca 0.08 -0.74 0.03 0.00 -0.55 0.00 0.00 66.41 65.23 2wad h THR 514 Cb 0.26 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 2wad h THR 514 CO -0.20 0.23 0.23 -1.13 -0.25 0.00 0.00 175.52 174.41 2wad h ASN 515 N 0.22 0.29 0.29 5.36 -1.24 -0.35 0.18 115.58 120.32 2wad h ASN 515 Ca 0.05 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 2wad h ASN 515 Cb 0.35 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 2wad h ASN 515 CO 0.02 0.20 -0.07 0.00 -1.29 0.00 0.00 177.43 176.29 2wad h ALA 516 N 1.80 1.29 0.00 1.57 0.00 -1.09 -1.81 119.26 121.02 2wad h ALA 516 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wad h ALA 516 Cb 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wad h ALA 516 CO -0.03 0.09 -0.25 1.97 0.00 0.00 0.00 179.25 181.03 2wad n PHE 517 N -3.59 0.00 -2.30 0.00 -1.74 -0.90 -4.75 117.46 104.17 2wad n PHE 517 Ca -0.02 -1.15 -0.02 0.00 -0.56 0.00 0.00 57.45 55.69 2wad n PHE 517 Cb 0.19 -0.19 0.00 0.00 1.52 0.00 0.00 39.48 41.01 2wad n PHE 517 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2wad n GLY 518 N -1.20 0.51 2.11 4.97 0.00 -0.68 -3.94 105.19 106.96 2wad n GLY 518 Ca 0.16 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 2wad n GLY 518 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wad n GLN 519 N -1.11 3.45 0.00 1.61 1.13 -0.01 -0.74 117.38 121.71 2wad n GLN 519 Ca -0.01 -4.13 0.00 0.00 -1.94 0.00 0.00 57.00 50.92 2wad n GLN 519 Cb 0.51 -2.22 0.00 0.00 0.11 0.00 0.00 30.24 28.64 2wad n GLN 519 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wad n PHE 520 N -0.69 -0.04 -2.05 1.08 7.35 -1.26 -4.56 117.46 117.30 2wad n PHE 520 Ca 0.41 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.70 2wad n PHE 520 Cb 0.94 0.06 -0.00 0.00 0.35 0.00 0.00 39.48 40.83 2wad n PHE 520 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2wad s ASP 521 N 0.53 6.31 -0.12 -2.13 1.01 -1.26 -4.95 116.67 116.06 2wad s ASP 521 Ca 0.00 2.66 -0.07 0.00 0.71 0.00 0.00 52.55 55.85 2wad s ASP 521 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2wad s ASP 521 CO 0.00 -0.85 0.14 0.20 0.21 0.00 0.00 175.17 174.87 2wad s ASN 522 N -0.73 6.39 0.18 0.27 0.02 -0.64 -4.43 114.94 116.00 2wad s ASN 522 Ca 0.57 0.47 0.07 0.00 -1.02 0.00 0.00 52.86 52.95 2wad s ASN 522 Cb -0.38 -2.07 -0.04 0.00 0.02 0.00 0.00 41.25 38.77 2wad s ASN 522 CO 0.49 0.41 -0.15 -0.31 0.02 0.00 0.00 177.10 177.56 2wad s TYR 523 N -1.02 1.64 0.59 2.20 2.02 -0.39 -0.89 117.35 121.50 2wad s TYR 523 Ca 0.15 -0.57 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 2wad s TYR 523 Cb -0.12 -0.79 -0.02 0.00 -0.40 0.00 0.00 41.96 40.63 2wad s TYR 523 CO 0.04 0.30 0.94 0.95 -1.57 0.00 0.00 175.55 176.21 2wad s THR 524 N -2.75 4.29 0.38 -0.71 -4.23 -1.26 -0.93 115.64 110.43 2wad s THR 524 Ca 0.19 0.40 0.09 0.00 -1.18 0.00 0.00 61.69 61.19 2wad s THR 524 Cb -0.02 -3.70 0.15 0.00 1.34 0.00 0.00 72.50 70.27 2wad s THR 524 CO 0.06 -0.80 1.89 -0.65 -0.54 0.00 0.00 174.62 174.57 2wad h PRO 525 N -0.19 0.23 -0.54 3.99 0.11 -1.72 -2.27 132.00 131.61 2wad h PRO 525 Ca -0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2wad h PRO 525 Cb 1.22 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2wad h PRO 525 CO 0.62 0.40 0.20 1.98 -0.21 0.00 0.00 178.00 180.99 2wad h MET 526 N 0.22 0.81 -0.75 1.05 1.85 -1.55 -0.84 114.93 115.72 2wad h MET 526 Ca 0.04 -0.15 0.02 0.00 -0.61 0.00 0.00 59.70 59.00 2wad h MET 526 Cb 0.42 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.28 2wad h MET 526 CO 0.03 0.71 0.49 1.96 -0.40 0.00 0.00 176.91 179.70 2wad h GLN 527 N 0.73 0.94 -0.10 0.39 4.20 -1.74 -1.06 115.11 118.47 2wad h GLN 527 Ca 0.18 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 2wad h GLN 527 Cb 0.22 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2wad h GLN 527 CO -0.01 0.62 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.23 2wad h LEU 528 N 0.97 0.28 -0.51 1.46 3.38 -1.14 -1.16 115.31 118.59 2wad h LEU 528 Ca 0.29 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2wad h LEU 528 Cb -0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wad h LEU 528 CO -0.09 0.71 0.04 0.00 0.09 0.00 0.00 178.44 179.20 2wad h ALA 529 N 1.30 0.68 -0.23 1.53 0.00 -0.84 -2.85 119.26 118.84 2wad h ALA 529 Ca 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2wad h ALA 529 Cb 0.91 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2wad h ALA 529 CO 0.07 0.45 -0.16 0.37 0.00 0.00 0.00 179.25 179.99 2wad h GLN 530 N 0.74 0.39 0.27 0.00 4.15 -0.93 -0.52 115.11 119.21 2wad h GLN 530 Ca 0.15 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2wad h GLN 530 Cb 0.46 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2wad h GLN 530 CO 0.02 0.55 -0.13 -0.92 -1.93 0.00 0.00 178.83 176.42 2wad h TYR 531 N 0.36 -0.33 -0.05 3.99 3.20 -0.99 0.07 116.97 123.22 2wad h TYR 531 Ca 0.07 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 2wad h TYR 531 Cb 0.50 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2wad h TYR 531 CO 0.01 -0.08 -0.36 -0.24 -1.64 0.00 0.00 178.16 175.85 2wad h VAL 532 N -0.54 1.28 -0.28 1.81 3.04 -1.37 -2.45 116.25 117.73 2wad h VAL 532 Ca -0.04 -1.32 -0.08 0.00 -1.01 0.00 0.00 66.70 64.26 2wad h VAL 532 Cb 0.40 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.31 2wad h VAL 532 CO 0.06 0.38 -0.16 0.00 -1.01 0.00 0.00 177.57 176.84 2wad h ALA 533 N 1.55 1.19 -0.28 3.17 0.00 -0.89 -0.86 119.26 123.15 2wad h ALA 533 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2wad h ALA 533 Cb 0.68 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2wad h ALA 533 CO 0.05 0.52 0.09 1.15 0.00 0.00 0.00 179.25 181.06 2wad h THR 534 N 0.46 1.19 -0.50 0.00 2.02 -0.53 0.37 112.91 115.91 2wad h THR 534 Ca 0.08 -0.61 0.06 0.00 0.77 0.00 0.00 66.41 66.71 2wad h THR 534 Cb 0.55 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 2wad h THR 534 CO 0.04 0.20 0.21 0.40 0.37 0.00 0.00 175.52 176.73 2wad h ILE 535 N 0.29 0.87 0.00 3.11 2.04 -1.27 0.92 117.51 123.46 2wad h ILE 535 Ca 0.09 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2wad h ILE 535 Cb 0.22 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2wad h ILE 535 CO -0.00 0.07 -0.08 0.00 0.00 0.00 0.00 178.15 178.14 2wad h ALA 536 N 1.31 1.12 -0.60 1.87 0.00 -0.66 -2.05 119.26 120.25 2wad h ALA 536 Ca 0.24 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2wad h ALA 536 Cb 0.22 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.87 2wad h ALA 536 CO -0.22 0.10 0.20 -1.71 0.00 0.00 0.00 179.25 177.62 2wad n ASN 537 N -3.35 3.94 -3.08 0.00 5.15 0.08 -4.72 115.26 113.26 2wad n ASN 537 Ca -0.01 -3.38 -0.23 0.00 -0.60 0.00 0.00 54.58 50.36 2wad n ASN 537 Cb 0.26 -0.70 0.04 0.00 -0.53 0.00 0.00 39.78 38.84 2wad n ASN 537 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wad n ASN 538 N -0.61 -6.04 0.00 1.20 3.02 -0.77 -2.81 115.26 109.25 2wad n ASN 538 Ca 0.38 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2wad n ASN 538 Cb 1.26 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.56 2wad n ASN 538 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wad n GLY 539 N -1.54 0.50 3.49 7.41 0.00 0.27 -4.93 105.19 110.38 2wad n GLY 539 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2wad n GLY 539 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wad s VAL 540 N -2.21 4.79 -0.01 1.61 1.01 -1.12 -0.26 120.40 124.20 2wad s VAL 540 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2wad s VAL 540 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2wad s VAL 540 CO 0.00 -0.75 0.75 -0.60 0.00 0.00 0.00 175.10 174.49 2wad s ARG 541 N 2.89 4.46 -0.03 2.72 3.52 -0.82 -4.72 118.95 126.97 2wad s ARG 541 Ca 0.20 0.99 0.07 0.00 -0.13 0.00 0.00 55.73 56.87 2wad s ARG 541 Cb -0.16 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2wad s ARG 541 CO 0.16 0.16 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.05 2wad s LEU 542 N 0.42 2.13 0.21 -0.88 1.43 -1.26 -1.44 118.68 119.29 2wad s LEU 542 Ca 0.39 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 2wad s LEU 542 Cb -0.19 -1.37 -0.10 0.00 0.03 0.00 0.00 46.19 44.56 2wad s LEU 542 CO 0.21 0.30 1.43 0.00 0.23 0.00 0.00 176.35 178.52 2wad s ALA 543 N -0.50 3.63 0.27 4.21 0.00 -0.88 -4.87 121.76 123.62 2wad s ALA 543 Ca 0.07 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 2wad s ALA 543 Cb -0.11 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 2wad s ALA 543 CO 0.00 -0.70 1.07 -1.25 0.00 0.00 0.00 175.76 174.89 2wad s PRO 544 N 0.09 4.68 -0.03 0.00 0.05 -1.26 -4.47 135.00 134.07 2wad s PRO 544 Ca 0.61 1.75 0.00 0.00 0.05 0.00 0.00 61.00 63.42 2wad s PRO 544 Cb -0.41 -3.21 0.02 0.00 0.05 0.00 0.00 34.50 30.96 2wad s PRO 544 CO 0.39 0.27 0.00 -3.38 0.05 0.00 0.00 177.00 174.33 2wad s HIS 545 N -1.16 0.28 -0.06 0.56 -3.43 -0.00 -3.63 115.29 107.84 2wad s HIS 545 Ca 0.44 0.01 0.13 0.00 -0.80 0.00 0.00 55.06 54.84 2wad s HIS 545 Cb -0.31 -0.37 -0.18 0.00 -1.43 0.00 0.00 32.58 30.30 2wad s HIS 545 CO 0.39 -0.11 0.85 0.82 -2.00 0.00 0.00 174.74 174.69 2wad h ILE 546 N 6.16 0.85 -3.31 -5.38 2.04 -1.90 -1.11 117.51 114.86 2wad h ILE 546 Ca -0.42 -2.53 -0.57 0.00 1.00 0.00 0.00 64.86 62.34 2wad h ILE 546 Cb 1.14 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 39.51 2wad h ILE 546 CO 0.48 0.48 -0.00 -0.69 0.00 0.00 0.00 178.15 178.42 2wad s VAL 547 N -2.74 4.90 -0.20 1.67 1.01 -1.26 0.14 120.40 123.92 2wad s VAL 547 Ca -0.03 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.26 2wad s VAL 547 Cb 0.08 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 2wad s VAL 547 CO 0.81 0.41 0.03 1.21 0.00 0.00 0.00 175.10 177.56 2wad n GLU 548 N 2.76 0.68 -3.61 2.72 0.00 0.20 -4.72 120.64 118.67 2wad n GLU 548 Ca -0.07 0.15 -0.06 0.00 0.00 0.00 0.00 57.16 57.18 2wad n GLU 548 Cb 0.51 -1.58 -0.02 0.00 0.00 0.00 0.00 31.44 30.35 2wad n GLU 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2wad s GLY 549 N -6.00 -0.37 -0.15 8.31 0.00 -1.11 -1.60 107.32 106.39 2wad s GLY 549 Ca -0.25 0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.99 2wad s GLY 549 CO 0.70 0.18 0.08 -0.42 0.00 0.00 0.00 173.10 173.63 2wad s ILE 550 N -3.24 4.96 0.15 0.90 1.09 0.26 -1.98 121.20 123.35 2wad s ILE 550 Ca 0.08 0.02 0.09 0.00 -1.10 0.00 0.00 60.65 59.74 2wad s ILE 550 Cb -0.01 -3.20 -0.04 0.00 -1.06 0.00 0.00 42.46 38.15 2wad s ILE 550 CO -0.04 0.52 -0.21 -0.31 -0.10 0.00 0.00 174.94 174.80 2wad s TYR 551 N -0.17 1.95 0.75 3.97 2.02 0.17 -0.49 117.35 125.55 2wad s TYR 551 Ca 0.08 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 2wad s TYR 551 Cb -0.12 -1.00 0.05 0.00 -0.40 0.00 0.00 41.96 40.49 2wad s TYR 551 CO 0.01 0.33 1.13 0.34 -1.57 0.00 0.00 175.55 175.79 2wad s ASP 552 N -2.42 4.98 0.19 2.29 -1.08 0.44 -0.93 116.67 120.13 2wad s ASP 552 Ca 0.14 0.92 -0.20 0.00 -0.52 0.00 0.00 52.55 52.89 2wad s ASP 552 Cb -0.08 -1.58 -0.08 0.00 -1.46 0.00 0.00 42.92 39.73 2wad s ASP 552 CO 0.07 -1.61 0.70 0.20 0.52 0.00 0.00 175.17 175.04 2wad s ASN 553 N -4.47 7.10 0.70 -0.34 0.02 -1.26 0.08 114.94 116.76 2wad s ASN 553 Ca 0.60 1.41 -0.03 0.00 -1.02 0.00 0.00 52.86 53.82 2wad s ASN 553 Cb -0.11 -2.42 0.10 0.00 0.02 0.00 0.00 41.25 38.84 2wad s ASN 553 CO 0.50 0.10 0.63 -0.46 0.02 0.00 0.00 177.10 177.89 2wad n ASN 554 N 1.00 0.60 -0.27 -1.22 0.23 -0.76 -4.68 115.26 110.16 2wad n ASN 554 Ca -0.04 -1.57 -0.06 0.00 -0.53 0.00 0.00 54.58 52.38 2wad n ASN 554 Cb 0.51 -0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 37.76 2wad n ASN 554 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wad h ASP 555 N -0.52 -1.47 1.17 0.53 3.32 -1.97 -1.84 116.42 115.65 2wad h ASP 555 Ca -0.21 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wad h ASP 555 Cb 0.71 0.70 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2wad h ASP 555 CO 0.20 -0.31 0.00 1.17 -1.72 0.00 0.00 179.24 178.58 2wad n LYS 556 N -5.42 0.18 0.00 3.56 4.81 -1.26 -4.91 118.16 115.12 2wad n LYS 556 Ca 0.05 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2wad n LYS 556 Cb 0.36 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.66 2wad n LYS 556 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wad n GLY 557 N 0.99 0.65 0.69 3.14 0.00 -0.69 -5.10 105.19 104.86 2wad n GLY 557 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2wad n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wad n GLY 558 N -1.79 0.46 3.66 -0.02 0.00 -1.26 -4.67 105.19 101.57 2wad n GLY 558 Ca 0.00 -1.93 -0.51 0.00 0.00 0.00 0.00 46.02 43.58 2wad n GLY 558 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wad n LEU 559 N 0.00 3.02 0.00 0.99 0.00 -1.26 -1.83 117.00 117.93 2wad n LEU 559 Ca 0.03 0.91 0.00 0.00 0.00 0.00 0.00 56.01 56.95 2wad n LEU 559 Cb 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.22 2wad n LEU 559 CO 0.07 -0.24 0.00 0.61 0.00 0.00 0.00 177.39 177.83 2wad n GLY 560 N 4.64 0.75 3.75 -3.96 0.00 0.11 -4.57 105.19 105.92 2wad n GLY 560 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 2wad n GLY 560 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wad s GLU 561 N 3.86 2.73 -0.16 1.61 2.12 -1.23 -4.73 118.70 122.89 2wad s GLU 561 Ca 0.00 -0.97 -0.35 0.00 0.36 0.00 0.00 54.97 54.01 2wad s GLU 561 Cb 0.00 -2.54 -0.12 0.00 0.26 0.00 0.00 34.13 31.73 2wad s GLU 561 CO 0.00 0.47 1.92 -0.11 -0.54 0.00 0.00 175.26 176.99 2wad n LEU 562 N -0.35 3.11 -0.09 2.70 7.94 -1.26 -0.42 117.00 128.63 2wad n LEU 562 Ca -0.09 0.88 -0.21 0.00 -1.11 0.00 0.00 56.01 55.49 2wad n LEU 562 Cb 0.55 -1.33 -0.12 0.00 0.53 0.00 0.00 43.42 43.06 2wad n LEU 562 CO 0.42 -0.23 -0.38 0.40 -1.11 0.00 0.00 177.39 176.50 2wad h ILE 563 N 5.72 1.06 -1.75 1.96 1.08 -1.10 -3.46 117.51 121.01 2wad h ILE 563 Ca -0.45 -2.23 0.10 0.00 -0.39 0.00 0.00 64.86 61.89 2wad h ILE 563 Cb 1.28 2.45 -0.21 0.00 -3.07 0.00 0.00 36.82 37.28 2wad h ILE 563 CO 0.96 0.41 -0.02 -1.58 -0.69 0.00 0.00 178.15 177.23 2wad s GLN 564 N -2.35 0.52 0.51 2.37 0.74 -0.91 -5.01 119.66 115.53 2wad s GLN 564 Ca -0.26 1.24 -0.19 0.00 0.05 0.00 0.00 55.36 56.20 2wad s GLN 564 Cb 0.04 0.69 -0.08 0.00 1.10 0.00 0.00 33.01 34.76 2wad s GLN 564 CO 0.63 -0.17 1.03 0.00 -0.55 0.00 0.00 175.29 176.23 2wad s ALA 565 N 2.63 2.88 -0.41 1.58 0.00 -1.26 -0.57 121.76 126.60 2wad s ALA 565 Ca -0.06 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 2wad s ALA 565 Cb -0.10 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2wad s ALA 565 CO -0.19 -0.38 0.98 0.42 0.00 0.00 0.00 175.76 176.60 2wad s ILE 566 N -2.17 4.48 0.62 0.00 1.01 -0.63 -4.88 121.20 119.63 2wad s ILE 566 Ca 0.65 1.13 -0.15 0.00 0.00 0.00 0.00 60.65 62.28 2wad s ILE 566 Cb -0.15 -4.42 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 2wad s ILE 566 CO 0.24 -0.70 1.07 -1.81 0.00 0.00 0.00 174.94 173.74 2wad s ASP 567 N 2.07 5.60 0.27 3.58 1.01 -1.26 -4.95 116.67 122.99 2wad s ASP 567 Ca 0.40 1.84 -0.29 0.00 0.71 0.00 0.00 52.55 55.21 2wad s ASP 567 Cb -0.11 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.19 2wad s ASP 567 CO 0.23 -1.29 1.26 -0.89 0.21 0.00 0.00 175.17 174.69 2wad s THR 568 N -2.47 3.05 -0.24 -1.27 2.01 -1.26 -5.00 115.64 110.45 2wad s THR 568 Ca 0.64 0.99 0.02 0.00 0.31 0.00 0.00 61.69 63.65 2wad s THR 568 Cb -0.17 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.77 2wad s THR 568 CO 0.39 0.21 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.67 2wad s LYS 569 N -1.13 2.24 -0.03 4.92 2.20 -1.26 -5.07 119.74 121.60 2wad s LYS 569 Ca 0.51 -1.22 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 2wad s LYS 569 Cb -0.37 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 2wad s LYS 569 CO 0.45 -0.53 0.93 -1.21 -0.36 0.00 0.00 175.35 174.64 2wad s GLU 570 N 1.17 4.52 -0.25 4.03 8.01 -1.26 -2.07 118.70 132.85 2wad s GLU 570 Ca -0.07 1.32 -0.00 0.00 0.01 0.00 0.00 54.97 56.23 2wad s GLU 570 Cb -0.19 -3.47 -0.17 0.00 -4.31 0.00 0.00 34.13 25.99 2wad s GLU 570 CO -0.06 -0.07 -0.19 -0.89 0.01 0.00 0.00 175.26 174.06 2wad n ILE 571 N 3.98 1.52 -3.74 -1.63 5.41 -0.52 -4.98 119.36 119.40 2wad n ILE 571 Ca 0.05 -0.56 -0.03 0.00 1.00 0.00 0.00 62.75 63.22 2wad n ILE 571 Cb 0.51 -1.49 -0.01 0.00 -0.71 0.00 0.00 39.64 37.94 2wad n ILE 571 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wad s ASN 572 N -6.64 -0.14 -0.14 4.38 4.22 -1.25 -5.04 114.94 110.31 2wad s ASN 572 Ca -0.34 -0.38 0.02 0.00 -2.14 0.00 0.00 52.86 50.02 2wad s ASN 572 Cb 0.09 0.44 0.01 0.00 1.28 0.00 0.00 41.25 43.07 2wad s ASN 572 CO 0.61 -0.81 -0.21 -0.75 -2.04 0.00 0.00 177.10 173.89 2wad s LYS 573 N -3.06 2.99 0.27 3.55 2.20 -1.26 -1.94 119.74 122.49 2wad s LYS 573 Ca 0.13 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 2wad s LYS 573 Cb -0.00 -2.44 -0.12 0.00 -1.51 0.00 0.00 37.83 33.76 2wad s LYS 573 CO 0.02 -0.04 1.49 0.28 -0.36 0.00 0.00 175.35 176.73 2wad n VAL 574 N 4.15 1.07 -1.35 4.02 0.31 0.64 -4.87 118.33 122.31 2wad n VAL 574 Ca -0.20 -0.27 -0.26 0.00 -0.01 0.00 0.00 64.34 63.60 2wad n VAL 574 Cb 0.51 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.65 2wad n VAL 574 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wad n ASN 575 N 2.04 6.74 -4.24 4.52 5.15 -1.26 -4.85 115.26 123.35 2wad n ASN 575 Ca 0.10 -2.79 -0.17 0.00 -0.60 0.00 0.00 54.58 51.11 2wad n ASN 575 Cb 0.34 -1.39 -0.11 0.00 -0.53 0.00 0.00 39.78 38.09 2wad n ASN 575 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2wad s ILE 576 N 0.04 1.30 0.93 -1.44 -4.36 -1.26 -4.68 121.20 111.74 2wad s ILE 576 Ca 0.63 -1.76 -0.12 0.00 -0.26 0.00 0.00 60.65 59.15 2wad s ILE 576 Cb 0.29 -1.57 0.15 0.00 1.25 0.00 0.00 42.46 42.58 2wad s ILE 576 CO -0.09 -0.46 1.09 -0.94 0.24 0.00 0.00 174.94 174.78 2wad s SER 577 N -2.55 3.10 0.54 4.36 1.04 -1.26 -4.82 113.70 114.11 2wad s SER 577 Ca 0.10 1.55 0.28 0.00 0.48 0.00 0.00 55.95 58.37 2wad s SER 577 Cb -0.04 -2.22 1.53 0.00 0.10 0.00 0.00 66.02 65.40 2wad s SER 577 CO 0.03 -2.88 2.11 -0.08 0.98 0.00 0.00 173.24 173.39 2wad h GLU 578 N -1.72 0.00 0.00 4.02 4.22 -1.98 -2.13 114.58 117.00 2wad h GLU 578 Ca -0.50 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 58.66 2wad h GLU 578 Cb 1.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 2wad h GLU 578 CO 0.53 0.09 -1.59 0.66 -2.18 0.00 0.00 179.01 176.52 2wad h SER 579 N 0.00 0.00 -0.15 1.04 4.64 -1.99 -2.96 113.55 114.13 2wad h SER 579 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2wad h SER 579 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2wad h SER 579 CO 0.01 1.00 0.05 0.44 -0.87 0.00 0.00 176.83 177.46 2wad h ASP 580 N 0.00 0.06 -0.36 4.97 3.45 -1.88 -2.18 116.42 120.48 2wad h ASP 580 Ca -0.24 0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.28 2wad h ASP 580 Cb 1.97 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.73 2wad h ASP 580 CO 0.09 0.06 0.24 -0.03 -1.57 0.00 0.00 179.24 178.03 2wad h MET 581 N 0.13 0.26 -0.06 3.56 4.05 -1.49 -0.89 114.93 120.48 2wad h MET 581 Ca 0.06 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 2wad h MET 581 Cb 0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2wad h MET 581 CO -0.06 0.17 -0.47 0.00 0.23 0.00 0.00 176.91 176.78 2wad h ALA 582 N 1.81 1.11 -0.38 0.39 0.00 -1.31 -1.66 119.26 119.22 2wad h ALA 582 Ca 0.16 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2wad h ALA 582 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wad h ALA 582 CO -0.03 0.61 -0.03 0.82 0.00 0.00 0.00 179.25 180.63 2wad h ILE 583 N 0.12 1.27 -0.36 0.00 2.04 -0.55 -1.77 117.51 118.26 2wad h ILE 583 Ca 0.01 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.83 2wad h ILE 583 Cb 0.87 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2wad h ILE 583 CO 0.07 0.35 0.22 -0.07 0.00 0.00 0.00 178.15 178.72 2wad h LEU 584 N 0.50 0.36 -1.42 1.44 3.38 -1.13 -1.46 115.31 116.99 2wad h LEU 584 Ca 0.10 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2wad h LEU 584 Cb 0.51 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 2wad h LEU 584 CO 0.02 0.26 0.49 0.45 0.09 0.00 0.00 178.44 179.76 2wad h HIS 585 N 0.44 0.70 -0.07 1.13 3.86 -1.20 -1.38 115.15 118.63 2wad h HIS 585 Ca 0.14 0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 59.14 2wad h HIS 585 Cb -0.01 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 28.24 2wad h HIS 585 CO -0.07 0.33 -0.87 0.37 0.86 0.00 0.00 177.93 178.55 2wad h GLN 586 N 0.65 0.64 -0.15 2.45 5.75 -0.89 -2.18 115.11 121.38 2wad h GLN 586 Ca 0.35 -0.59 -0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2wad h GLN 586 Cb 0.48 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 2wad h GLN 586 CO -0.13 1.20 0.08 0.78 -2.65 0.00 0.00 178.83 178.11 2wad h GLY 587 N 0.77 0.22 2.00 2.39 0.00 -0.79 -1.11 103.07 106.56 2wad h GLY 587 Ca -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2wad h GLY 587 CO 0.17 0.10 -0.14 0.74 0.00 0.00 0.00 176.54 177.40 2wad h PHE 588 N 0.14 0.00 -0.06 5.60 -1.00 -1.31 -1.42 116.94 118.89 2wad h PHE 588 Ca 0.05 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.63 2wad h PHE 588 Cb 0.08 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.65 2wad h PHE 588 CO -0.04 0.14 -0.77 -0.92 -1.61 0.00 0.00 178.31 175.11 2wad h TYR 589 N 0.00 0.88 0.00 -0.55 3.20 -1.02 -1.61 116.97 117.87 2wad h TYR 589 Ca -0.00 -0.44 -0.05 0.00 3.14 0.00 0.00 58.73 61.38 2wad h TYR 589 Cb 0.28 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2wad h TYR 589 CO 0.00 1.26 -0.25 1.96 -1.64 0.00 0.00 178.16 179.49 2wad h GLN 590 N 0.25 0.00 -0.63 1.82 4.20 -0.95 -1.71 115.11 118.09 2wad h GLN 590 Ca -0.08 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.70 2wad h GLN 590 Cb 1.43 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.17 2wad h GLN 590 CO 0.15 0.25 0.42 0.28 -0.67 0.00 0.00 178.83 179.26 2wad h VAL 591 N 0.00 0.97 -0.00 -0.54 2.07 -1.29 -0.09 116.25 117.36 2wad h VAL 591 Ca -0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2wad h VAL 591 Cb 0.77 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2wad h VAL 591 CO 0.03 0.10 -0.63 -1.54 0.02 0.00 0.00 177.57 175.56 2wad n SER 592 N -4.48 0.80 0.00 0.57 3.41 -1.00 -0.02 113.62 112.90 2wad n SER 592 Ca 0.09 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 2wad n SER 592 Cb 0.28 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 2wad n SER 592 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wad n HIS 593 N -1.17 0.00 -1.15 7.33 -0.00 -0.68 -4.38 115.22 115.18 2wad n HIS 593 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.45 2wad n HIS 593 Cb 0.24 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.37 2wad n HIS 593 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2wad s GLY 594 N -0.29 1.62 -0.10 -1.41 0.00 -0.06 -4.97 107.32 102.10 2wad s GLY 594 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 44.72 44.83 2wad s GLY 594 CO 0.00 0.47 1.14 -1.30 0.00 0.00 0.00 173.10 173.41 2wad n THR 595 N -3.95 1.23 -3.26 0.90 -2.24 -1.26 -4.94 114.28 100.77 2wad n THR 595 Ca 0.07 -1.80 -0.31 0.00 -2.27 0.00 0.00 64.05 59.74 2wad n THR 595 Cb 0.55 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 2wad n THR 595 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wad s SER 596 N -2.41 6.56 0.24 3.42 0.15 -1.26 -4.95 113.70 115.45 2wad s SER 596 Ca 0.27 0.92 0.15 0.00 0.70 0.00 0.00 55.95 57.99 2wad s SER 596 Cb 0.26 -2.23 0.80 0.00 -1.71 0.00 0.00 66.02 63.14 2wad s SER 596 CO -0.04 -0.19 1.42 -2.65 1.20 0.00 0.00 173.24 172.99 2wad n PRO 597 N -0.65 0.10 0.00 5.44 -0.02 -1.26 -1.96 135.00 136.65 2wad n PRO 597 Ca 0.00 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 2wad n PRO 597 Cb 0.53 -1.88 0.03 0.00 -0.02 0.00 0.00 33.50 32.17 2wad n PRO 597 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wad n LEU 598 N -2.02 2.21 -4.70 2.45 4.77 -1.26 -4.94 117.00 113.50 2wad n LEU 598 Ca -0.01 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 2wad n LEU 598 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2wad n LEU 598 CO 0.07 0.40 1.43 0.41 -1.33 0.00 0.00 177.39 178.36 2wad n THR 599 N 0.46 0.22 0.38 -5.08 -1.04 -0.83 -4.17 114.28 104.22 2wad n THR 599 Ca 0.10 -0.04 0.11 0.00 -2.04 0.00 0.00 64.05 62.18 2wad n THR 599 Cb 0.45 -2.04 -0.09 0.00 -1.82 0.00 0.00 70.33 66.82 2wad n THR 599 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wad n THR 600 N 4.38 0.09 -1.68 12.58 -2.24 -1.04 -4.68 114.28 121.69 2wad n THR 600 Ca 0.17 -0.32 0.06 0.00 -2.27 0.00 0.00 64.05 61.69 2wad n THR 600 Cb 0.36 0.25 0.12 0.00 -2.10 0.00 0.00 70.33 68.96 2wad n THR 600 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wad n GLY 601 N 1.34 3.61 0.33 3.38 0.00 0.97 -4.75 105.19 110.06 2wad n GLY 601 Ca -0.00 -0.99 0.18 0.00 0.00 0.00 0.00 46.02 45.21 2wad n GLY 601 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wad h ARG 602 N 0.57 0.00 -0.24 1.61 3.08 -1.74 -1.11 114.38 116.55 2wad h ARG 602 Ca -0.04 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.08 2wad h ARG 602 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 2wad h ARG 602 CO 0.02 0.00 0.21 0.00 -1.07 0.00 0.00 179.97 179.13 2wad h ALA 603 N 1.82 2.04 -1.00 0.04 0.00 -1.89 -1.63 119.26 118.64 2wad h ALA 603 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 2wad h ALA 603 Cb 0.28 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2wad h ALA 603 CO -0.00 -0.33 0.64 0.74 0.00 0.00 0.00 179.25 180.30 2wad h PHE 604 N 0.00 1.19 0.00 0.00 0.04 -1.44 -3.07 116.94 113.66 2wad h PHE 604 Ca 0.12 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.92 2wad h PHE 604 Cb 0.53 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2wad h PHE 604 CO 0.00 0.58 -0.75 0.43 -0.60 0.00 0.00 178.31 177.97 2wad n SER 605 N -4.52 0.63 -4.55 2.17 7.64 -0.63 -4.49 113.62 109.85 2wad n SER 605 Ca 0.16 -0.12 -0.36 0.00 1.01 0.00 0.00 58.87 59.56 2wad n SER 605 Cb 0.22 0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.82 2wad n SER 605 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wad s ASP 606 N -3.78 5.48 0.00 6.43 2.15 -1.11 -1.51 116.67 124.32 2wad s ASP 606 Ca 0.07 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.84 2wad s ASP 606 Cb 0.15 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2wad s ASP 606 CO 0.75 -2.32 0.00 0.61 -0.17 0.00 0.00 175.17 174.04 2wad n GLY 607 N 6.06 0.63 3.70 2.66 0.00 -1.26 -5.05 105.19 111.92 2wad n GLY 607 Ca 0.24 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wad n GLY 607 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wad s ALA 608 N -2.00 3.64 -0.83 4.61 0.00 -0.57 -4.94 121.76 121.68 2wad s ALA 608 Ca 0.00 1.10 0.25 0.00 0.00 0.00 0.00 51.96 53.31 2wad s ALA 608 Cb 0.00 -3.62 0.41 0.00 0.00 0.00 0.00 23.12 19.90 2wad s ALA 608 CO 0.00 -0.91 1.34 0.25 0.00 0.00 0.00 175.76 176.45 2wad n THR 609 N 4.47 0.14 -4.20 0.00 -2.24 -1.26 -4.83 114.28 106.35 2wad n THR 609 Ca 0.14 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 2wad n THR 609 Cb 0.42 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 2wad n THR 609 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wad s VAL 610 N -3.08 0.79 0.03 2.28 -7.23 -1.26 -4.94 120.40 106.98 2wad s VAL 610 Ca 0.09 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 2wad s VAL 610 Cb 0.16 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 35.21 2wad s VAL 610 CO 0.72 -0.76 1.63 -0.55 -0.31 0.00 0.00 175.10 175.82 2wad s SER 611 N -3.10 6.65 -0.10 4.85 0.15 -1.26 -4.97 113.70 115.92 2wad s SER 611 Ca 0.15 2.38 0.02 0.00 0.70 0.00 0.00 55.95 59.20 2wad s SER 611 Cb 0.05 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2wad s SER 611 CO -0.02 -0.88 -0.15 -0.63 1.20 0.00 0.00 173.24 172.77 2wad s ILE 612 N 2.97 2.94 0.07 6.45 1.01 -1.26 -0.70 121.20 132.69 2wad s ILE 612 Ca 0.73 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.73 2wad s ILE 612 Cb -0.37 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2wad s ILE 612 CO 0.31 0.55 -0.16 -0.44 0.00 0.00 0.00 174.94 175.20 2wad s SER 613 N -0.01 3.95 0.00 3.58 0.01 -0.71 -4.76 113.70 115.76 2wad s SER 613 Ca -0.04 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2wad s SER 613 Cb -0.14 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2wad s SER 613 CO 0.04 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2wad n GLY 614 N 1.18 1.16 3.50 3.44 0.00 -0.61 -0.69 105.19 113.17 2wad n GLY 614 Ca -0.16 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 2wad n GLY 614 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wad s LYS 615 N -0.76 0.64 0.43 1.61 2.47 -0.12 -4.41 119.74 119.60 2wad s LYS 615 Ca 0.00 0.95 0.00 0.00 -1.56 0.00 0.00 55.97 55.36 2wad s LYS 615 Cb 0.00 0.20 -0.01 0.00 -1.46 0.00 0.00 37.83 36.56 2wad s LYS 615 CO 0.00 -0.12 0.65 0.95 0.16 0.00 0.00 175.35 176.99 2wad s THR 616 N 0.96 4.33 0.00 3.43 -4.23 -1.26 -1.75 115.64 117.11 2wad s THR 616 Ca -0.05 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2wad s THR 616 Cb -0.05 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2wad s THR 616 CO -0.09 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2wad n GLY 617 N -2.02 1.59 0.77 3.99 0.00 0.63 -3.08 105.19 107.09 2wad n GLY 617 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2wad n GLY 617 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wad n THR 630 N 0.00 0.00 -3.01 2.61 -2.24 -1.24 -4.07 114.28 106.33 2wad n THR 630 Ca 0.00 0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 2wad n THR 630 Cb 0.00 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 2wad n THR 630 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wad s ASN 631 N -4.23 7.16 -0.84 3.42 -0.87 -1.26 -1.05 114.94 117.27 2wad s ASN 631 Ca 0.00 1.39 -0.01 0.00 -1.57 0.00 0.00 52.86 52.67 2wad s ASN 631 Cb 0.00 -2.45 0.35 0.00 -0.02 0.00 0.00 41.25 39.13 2wad s ASN 631 CO 0.00 0.00 1.83 0.35 -2.57 0.00 0.00 177.10 176.71 2wad n THR 632 N 2.94 4.07 -2.22 1.60 -2.24 -0.94 -4.96 114.28 112.54 2wad n THR 632 Ca -0.03 -4.86 -0.28 0.00 -2.27 0.00 0.00 64.05 56.61 2wad n THR 632 Cb 0.50 -1.33 0.03 0.00 -2.10 0.00 0.00 70.33 67.43 2wad n THR 632 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wad s ASN 633 N -1.53 5.76 -0.11 3.42 0.01 -1.26 -3.89 114.94 117.34 2wad s ASN 633 Ca 0.48 0.97 -0.23 0.00 -0.71 0.00 0.00 52.86 53.36 2wad s ASN 633 Cb 0.37 -1.97 0.06 0.00 0.41 0.00 0.00 41.25 40.11 2wad s ASN 633 CO -0.31 -1.03 0.57 0.00 -1.51 0.00 0.00 177.10 174.82 2wad s ALA 634 N -3.08 -1.45 0.08 0.60 0.00 -0.41 -0.27 121.76 117.24 2wad s ALA 634 Ca 0.54 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.84 2wad s ALA 634 Cb -0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 2wad s ALA 634 CO 0.48 -0.31 -0.17 0.14 0.00 0.00 0.00 175.76 175.90 2wad s VAL 635 N -0.59 1.39 0.09 0.00 -7.23 -0.72 -0.49 120.40 112.85 2wad s VAL 635 Ca -0.07 -1.38 -0.22 0.00 -1.81 0.00 0.00 61.98 58.50 2wad s VAL 635 Cb -0.03 -1.29 0.06 0.00 0.56 0.00 0.00 36.38 35.68 2wad s VAL 635 CO 0.05 -0.12 0.54 0.00 -0.31 0.00 0.00 175.10 175.26 2wad s ALA 636 N -1.18 -1.38 0.18 1.32 0.00 -0.55 -0.94 121.76 119.22 2wad s ALA 636 Ca 0.02 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 2wad s ALA 636 Cb -0.10 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 2wad s ALA 636 CO 0.03 -0.61 0.13 1.52 0.00 0.00 0.00 175.76 176.83 2wad s TYR 637 N -3.06 0.98 -0.20 0.00 -0.85 0.14 -0.35 117.35 114.02 2wad s TYR 637 Ca -0.02 -1.27 -0.32 0.00 -0.52 0.00 0.00 57.07 54.94 2wad s TYR 637 Cb -0.00 -0.47 0.15 0.00 0.38 0.00 0.00 41.96 42.01 2wad s TYR 637 CO -0.07 -0.62 1.17 0.00 -1.52 0.00 0.00 175.55 174.52 2wad s ALA 638 N -4.11 -2.03 0.55 9.51 0.00 -0.71 -1.74 121.76 123.22 2wad s ALA 638 Ca 0.32 1.64 -0.18 0.00 0.00 0.00 0.00 51.96 53.74 2wad s ALA 638 Cb 0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 2wad s ALA 638 CO 0.08 -0.42 1.08 -1.25 0.00 0.00 0.00 175.76 175.24 2wad s PRO 639 N -1.70 3.45 0.27 0.00 0.04 -1.26 -0.19 135.00 135.62 2wad s PRO 639 Ca 0.06 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 2wad s PRO 639 Cb -0.01 -2.04 0.51 0.00 0.04 0.00 0.00 34.50 33.00 2wad s PRO 639 CO -0.04 -0.73 1.58 1.15 0.04 0.00 0.00 177.00 179.01 2wad h THR 640 N 1.03 0.11 0.00 1.26 2.02 -1.14 -1.56 112.91 114.62 2wad h THR 640 Ca -0.49 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2wad h THR 640 Cb 1.23 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2wad h THR 640 CO 0.57 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.99 2wad h GLU 641 N 0.02 0.00 -1.12 6.66 4.39 -1.96 -3.39 114.58 119.18 2wad h GLU 641 Ca 0.48 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.91 2wad h GLU 641 Cb 0.83 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.27 2wad h GLU 641 CO -0.90 0.00 -0.62 -1.71 -1.16 0.00 0.00 179.01 174.62 2wad n ASN 642 N -2.67 -2.58 -4.73 1.42 5.15 -0.61 -5.13 115.26 106.11 2wad n ASN 642 Ca 0.04 -2.88 -0.42 0.00 -0.60 0.00 0.00 54.58 50.72 2wad n ASN 642 Cb 0.49 1.20 -0.03 0.00 -0.53 0.00 0.00 39.78 40.91 2wad n ASN 642 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wad s PRO 643 N 0.55 4.25 0.00 1.20 0.02 -1.09 -3.97 135.00 135.96 2wad s PRO 643 Ca 0.31 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2wad s PRO 643 Cb 0.06 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2wad s PRO 643 CO -0.12 -0.50 0.08 1.04 -0.33 0.00 0.00 177.00 177.17 2wad n GLN 644 N 3.17 4.30 -3.79 5.54 6.02 0.73 -4.61 117.38 128.74 2wad n GLN 644 Ca 0.10 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 2wad n GLN 644 Cb 0.40 -0.50 -0.12 0.00 1.02 0.00 0.00 30.24 31.04 2wad n GLN 644 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2wad s ILE 645 N -0.64 0.00 -0.02 5.09 2.07 -0.71 -4.41 121.20 122.59 2wad s ILE 645 Ca 0.00 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.25 2wad s ILE 645 Cb 0.00 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 2wad s ILE 645 CO 0.00 -0.02 -0.14 0.00 -1.91 0.00 0.00 174.94 172.87 2wad s ALA 646 N 0.05 1.24 0.01 1.50 0.00 0.06 -1.75 121.76 122.87 2wad s ALA 646 Ca -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2wad s ALA 646 Cb -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2wad s ALA 646 CO 0.00 0.26 -0.05 0.54 0.00 0.00 0.00 175.76 176.52 2wad s VAL 647 N -0.13 0.34 -0.04 0.00 0.11 0.53 -0.69 120.40 120.52 2wad s VAL 647 Ca 0.01 -0.40 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 2wad s VAL 647 Cb -0.08 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2wad s VAL 647 CO 0.00 -0.05 -0.25 0.00 -3.33 0.00 0.00 175.10 171.47 2wad s ALA 648 N -0.45 2.12 -0.07 1.54 0.00 -0.57 -1.48 121.76 122.85 2wad s ALA 648 Ca -0.02 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2wad s ALA 648 Cb -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.50 2wad s ALA 648 CO -0.00 0.47 -0.12 0.08 0.00 0.00 0.00 175.76 176.19 2wad s VAL 649 N -0.40 1.18 -0.17 0.00 1.01 0.35 -2.07 120.40 120.30 2wad s VAL 649 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2wad s VAL 649 Cb -0.12 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.22 2wad s VAL 649 CO 0.01 0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 2wad s VAL 650 N 0.79 1.43 -0.40 2.92 1.01 0.22 -1.29 120.40 125.08 2wad s VAL 650 Ca -0.12 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2wad s VAL 650 Cb -0.15 -1.49 0.15 0.00 0.00 0.00 0.00 36.38 34.89 2wad s VAL 650 CO 0.02 0.24 0.26 0.12 0.00 0.00 0.00 175.10 175.74 2wad s PHE 651 N 1.51 1.19 0.44 5.22 2.19 -1.26 -1.28 117.98 126.00 2wad s PHE 651 Ca 0.01 -2.04 -0.20 0.00 0.33 0.00 0.00 56.93 55.04 2wad s PHE 651 Cb -0.15 -1.19 -0.10 0.00 -1.31 0.00 0.00 43.02 40.27 2wad s PHE 651 CO -0.09 -0.81 0.95 -1.25 1.83 0.00 0.00 175.22 175.85 2wad s PRO 652 N 0.57 4.15 -1.47 10.12 0.04 -1.26 -2.21 135.00 144.93 2wad s PRO 652 Ca 0.22 1.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.24 2wad s PRO 652 Cb -0.16 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.25 2wad s PRO 652 CO -0.05 -0.08 0.72 0.72 0.04 0.00 0.00 177.00 178.35 2wad n HIS 653 N -0.86 -1.93 -3.32 0.56 8.25 -1.11 -4.39 115.22 112.41 2wad n HIS 653 Ca 0.07 0.83 -0.40 0.00 -0.26 0.00 0.00 57.72 57.96 2wad n HIS 653 Cb 0.54 -3.84 -0.08 0.00 1.12 0.00 0.00 29.99 27.73 2wad n HIS 653 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2wad s ASN 654 N -3.87 6.32 0.00 0.41 3.84 -0.22 -3.82 114.94 117.60 2wad s ASN 654 Ca 0.33 0.32 0.26 0.00 0.21 0.00 0.00 52.86 53.97 2wad s ASN 654 Cb -0.17 -2.24 0.89 0.00 -0.55 0.00 0.00 41.25 39.18 2wad s ASN 654 CO 0.86 -0.25 1.65 0.35 -2.79 0.00 0.00 177.10 176.92 2wad n THR 655 N 5.17 0.06 -1.60 -5.21 -2.24 -0.63 -3.71 114.28 106.12 2wad n THR 655 Ca -0.07 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 2wad n THR 655 Cb 0.50 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 2wad n THR 655 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wad n ASN 656 N 0.35 3.22 -0.37 3.42 4.13 -1.26 -4.83 115.26 119.91 2wad n ASN 656 Ca 0.18 0.16 0.10 0.00 1.68 0.00 0.00 54.58 56.70 2wad n ASN 656 Cb 0.38 -1.56 -0.03 0.00 -1.54 0.00 0.00 39.78 37.03 2wad n ASN 656 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wad n LEU 657 N 11.95 1.75 -0.01 3.41 -0.00 -1.26 -4.35 117.00 128.48 2wad n LEU 657 Ca 0.30 -0.70 -0.06 0.00 -0.00 0.00 0.00 56.01 55.56 2wad n LEU 657 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.75 2wad n LEU 657 CO 0.66 0.34 -0.53 0.35 -0.00 0.00 0.00 177.39 178.21 2wad n THR 658 N -0.36 1.41 -3.82 1.47 -2.24 -1.26 -4.92 114.28 104.56 2wad n THR 658 Ca 0.08 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 2wad n THR 658 Cb 0.42 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 2wad n THR 658 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2wad s LYS 659 N -2.71 0.32 -0.42 -0.78 -2.85 -1.26 -5.13 119.74 106.91 2wad s LYS 659 Ca -0.05 0.09 -0.10 0.00 -1.00 0.00 0.00 55.97 54.91 2wad s LYS 659 Cb 0.08 0.15 0.08 0.00 -2.06 0.00 0.00 37.83 36.07 2wad s LYS 659 CO 0.82 -0.06 0.28 1.21 0.10 0.00 0.00 175.35 177.70 2wad s ASN 660 N -0.34 5.72 0.00 0.03 3.84 -1.26 -4.83 114.94 118.10 2wad s ASN 660 Ca -0.04 -1.46 0.21 0.00 0.21 0.00 0.00 52.86 51.78 2wad s ASN 660 Cb -0.03 -2.02 0.97 0.00 -0.55 0.00 0.00 41.25 39.62 2wad s ASN 660 CO 0.01 -0.55 1.69 1.33 -2.79 0.00 0.00 177.10 176.79 2wad n VAL 661 N 4.96 0.47 0.34 -5.21 0.24 -1.26 -4.07 118.33 113.80 2wad n VAL 661 Ca -0.10 0.12 -0.19 0.00 -2.04 0.00 0.00 64.34 62.12 2wad n VAL 661 Cb 0.43 -0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 31.95 2wad n VAL 661 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2wad h GLY 662 N 3.64 -1.30 1.09 7.63 0.00 -1.90 0.55 103.07 112.78 2wad h GLY 662 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.00 2wad h GLY 662 CO 0.00 -0.40 0.39 -2.55 0.00 0.00 0.00 176.54 173.97 2wad h PRO 663 N -1.09 0.39 -0.12 4.80 0.11 -1.84 -1.83 132.00 132.42 2wad h PRO 663 Ca -0.08 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.79 2wad h PRO 663 Cb 0.91 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.94 2wad h PRO 663 CO -0.01 0.26 -0.79 0.00 -0.21 0.00 0.00 178.00 177.25 2wad h ALA 664 N 1.71 0.38 -0.05 -0.75 0.00 -1.57 0.05 119.26 119.03 2wad h ALA 664 Ca 0.26 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wad h ALA 664 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wad h ALA 664 CO -0.07 0.71 0.02 0.82 0.00 0.00 0.00 179.25 180.74 2wad h ILE 665 N 0.45 1.09 -0.46 0.00 2.04 -0.52 -0.61 117.51 119.50 2wad h ILE 665 Ca -0.05 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.64 2wad h ILE 665 Cb 1.40 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 2wad h ILE 665 CO 0.15 0.07 0.05 0.00 0.00 0.00 0.00 178.15 178.42 2wad h ALA 666 N 0.92 0.47 -0.39 1.87 0.00 -1.20 0.14 119.26 121.08 2wad h ALA 666 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wad h ALA 666 Cb 0.09 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2wad h ALA 666 CO -0.00 -0.35 0.25 -0.09 0.00 0.00 0.00 179.25 179.05 2wad h ARG 667 N 0.17 0.51 -0.01 0.00 2.43 -0.89 -1.33 114.38 115.26 2wad h ARG 667 Ca 0.23 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 2wad h ARG 667 Cb 0.32 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2wad h ARG 667 CO -0.34 0.36 -0.53 -0.44 -1.51 0.00 0.00 179.97 177.51 2wad h ASP 668 N 0.51 0.02 -0.51 -3.80 3.45 -0.40 0.11 116.42 115.80 2wad h ASP 668 Ca 0.14 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.48 2wad h ASP 668 Cb -0.03 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 2wad h ASP 668 CO -0.03 0.55 -0.11 0.40 -1.57 0.00 0.00 179.24 178.48 2wad h ILE 669 N 0.02 1.27 -0.37 0.35 2.04 -0.81 -0.93 117.51 119.08 2wad h ILE 669 Ca -0.00 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 2wad h ILE 669 Cb 0.94 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2wad h ILE 669 CO 0.07 0.44 0.15 0.40 0.00 0.00 0.00 178.15 179.21 2wad h ILE 670 N 0.84 1.19 -0.79 -0.67 2.04 -0.48 -1.51 117.51 118.14 2wad h ILE 670 Ca 0.13 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 2wad h ILE 670 Cb 0.67 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2wad h ILE 670 CO 0.05 0.21 0.30 0.78 0.00 0.00 0.00 178.15 179.48 2wad h ASN 671 N 0.46 1.10 -0.57 1.72 2.35 -0.81 -0.89 115.58 118.95 2wad h ASN 671 Ca 0.13 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2wad h ASN 671 Cb 0.18 -0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 2wad h ASN 671 CO -0.01 0.99 0.35 -0.07 -1.65 0.00 0.00 177.43 177.04 2wad h LEU 672 N 1.15 0.58 -0.51 1.61 3.38 -0.90 -1.72 115.31 118.91 2wad h LEU 672 Ca 0.26 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2wad h LEU 672 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2wad h LEU 672 CO -0.02 0.41 0.18 0.22 0.09 0.00 0.00 178.44 179.33 2wad h TYR 673 N 0.70 0.79 -0.69 1.13 3.20 -0.83 -2.31 116.97 118.97 2wad h TYR 673 Ca 0.23 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2wad h TYR 673 Cb 0.00 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 2wad h TYR 673 CO -0.05 0.67 0.44 -0.97 -1.64 0.00 0.00 178.16 176.61 2wad h ASN 674 N 0.68 0.74 -0.39 -2.11 -1.24 -0.83 0.36 115.58 112.79 2wad h ASN 674 Ca 0.17 -0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.25 2wad h ASN 674 Cb 0.23 -0.17 -0.08 0.00 0.73 0.00 0.00 38.32 39.04 2wad h ASN 674 CO -0.01 0.52 -0.11 -0.61 -1.29 0.00 0.00 177.43 175.92 2wad h GLN 675 N 0.88 -0.02 0.00 6.67 4.15 -1.25 -2.05 115.11 123.48 2wad h GLN 675 Ca 0.27 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.59 2wad h GLN 675 Cb -0.02 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2wad h GLN 675 CO -0.09 -0.02 -0.46 1.25 -1.93 0.00 0.00 178.83 177.59 2wad h HIS 676 N -0.02 0.00 -1.49 3.99 2.76 -0.68 -3.38 115.15 116.32 2wad h HIS 676 Ca 0.19 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 58.03 2wad h HIS 676 Cb 0.31 0.00 -0.25 0.00 1.55 0.00 0.00 27.41 29.03 2wad h HIS 676 CO -0.36 0.46 -0.69 1.58 -1.30 0.00 0.00 177.93 177.61 2wad n HIS 677 N -3.33 -2.65 -1.55 5.26 -0.00 0.12 -5.09 115.22 107.99 2wad n HIS 677 Ca 0.01 -2.16 -0.48 0.00 -0.00 0.00 0.00 57.72 55.09 2wad n HIS 677 Cb 0.65 0.99 -0.04 0.00 -0.00 0.00 0.00 29.99 31.59 2wad n HIS 677 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2wad n PRO 678 N 2.81 0.93 -0.05 1.57 -0.02 -0.78 -4.40 135.00 135.07 2wad n PRO 678 Ca 0.22 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.93 2wad n PRO 678 Cb 0.53 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 2wad n PRO 678 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2wad n MET 679 N 1.35 0.20 -0.66 -0.52 2.81 -1.26 -5.04 117.12 114.00 2wad n MET 679 Ca 0.14 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2wad n MET 679 Cb 0.25 -0.83 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 2wad n MET 679 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57