#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wcq s GLU 48 N 0.00 4.21 0.27 1.61 2.56 -1.26 -4.87 118.70 121.21 1wcq s GLU 48 Ca 0.00 0.95 -0.31 0.00 0.00 0.00 0.00 54.97 55.61 1wcq s GLU 48 Cb 0.00 -3.63 -0.12 0.00 2.00 0.00 0.00 34.13 32.38 1wcq s GLU 48 CO 0.00 -0.47 1.58 -2.30 -0.56 0.00 0.00 175.26 173.51 1wcq n PRO 49 N 5.83 2.57 -4.53 4.30 -0.02 -1.26 -4.72 135.00 137.18 1wcq n PRO 49 Ca 0.05 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 62.15 1wcq n PRO 49 Cb 0.48 -2.69 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 1wcq n PRO 49 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wcq s LEU 50 N -0.11 1.82 -0.06 2.45 2.96 -1.26 -4.85 118.68 119.63 1wcq s LEU 50 Ca 0.67 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1wcq s LEU 50 Cb -0.53 -1.17 0.04 0.00 0.50 0.00 0.00 46.19 45.02 1wcq s LEU 50 CO 0.46 0.03 0.10 -0.47 -1.32 0.00 0.00 176.35 175.16 1wcq s TYR 51 N 0.92 -0.05 0.03 5.38 5.04 -1.26 -2.69 117.35 124.72 1wcq s TYR 51 Ca -0.07 0.41 -0.01 0.00 -2.44 0.00 0.00 57.07 54.96 1wcq s TYR 51 Cb -0.15 -0.36 -0.02 0.00 0.35 0.00 0.00 41.96 41.77 1wcq s TYR 51 CO -0.01 -0.22 -0.01 -0.08 -1.34 0.00 0.00 175.55 173.88 1wcq s THR 52 N 2.15 0.13 -0.00 4.34 -1.32 -0.52 -4.99 115.64 115.42 1wcq s THR 52 Ca 0.03 -1.09 -0.02 0.00 -1.21 0.00 0.00 61.69 59.40 1wcq s THR 52 Cb -0.12 -0.56 -0.00 0.00 -1.51 0.00 0.00 72.50 70.30 1wcq s THR 52 CO -0.04 -0.60 0.05 -1.61 -2.21 0.00 0.00 174.62 170.20 1wcq s GLU 53 N -2.03 0.22 -0.09 7.08 2.02 -1.26 -0.07 118.70 124.57 1wcq s GLU 53 Ca -0.11 -0.22 -0.14 0.00 0.02 0.00 0.00 54.97 54.52 1wcq s GLU 53 Cb -0.06 0.09 0.03 0.00 0.10 0.00 0.00 34.13 34.29 1wcq s GLU 53 CO -0.03 -0.04 0.35 1.14 0.02 0.00 0.00 175.26 176.70 1wcq s GLN 54 N -0.70 0.52 0.36 1.61 -2.07 0.44 -4.97 119.66 114.85 1wcq s GLN 54 Ca -0.08 0.26 -0.27 0.00 -1.82 0.00 0.00 55.36 53.45 1wcq s GLN 54 Cb -0.05 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 32.02 1wcq s GLN 54 CO 0.00 -0.10 1.20 -0.51 -1.32 0.00 0.00 175.29 174.56 1wcq s ASP 55 N -0.36 6.73 -0.02 12.60 1.01 -1.26 0.27 116.67 135.64 1wcq s ASP 55 Ca -0.05 2.44 0.12 0.00 0.71 0.00 0.00 52.55 55.77 1wcq s ASP 55 Cb -0.03 -2.63 -0.18 0.00 1.01 0.00 0.00 42.92 41.09 1wcq s ASP 55 CO 0.02 -0.54 0.25 0.18 0.21 0.00 0.00 175.17 175.29 1wcq n LEU 56 N 0.50 0.00 -3.71 1.23 4.77 -0.03 -4.82 117.00 114.95 1wcq n LEU 56 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1wcq n LEU 56 Cb 0.45 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1wcq n LEU 56 CO 0.54 0.00 -0.07 0.00 -1.33 0.00 0.00 177.39 176.53 1wcq s ALA 57 N -2.80 -0.71 -0.15 -1.18 0.00 -0.87 -4.97 121.76 111.08 1wcq s ALA 57 Ca -0.04 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1wcq s ALA 57 Cb 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1wcq s ALA 57 CO 0.49 -0.30 -0.16 0.08 0.00 0.00 0.00 175.76 175.87 1wcq s VAL 58 N 1.51 2.56 -0.00 0.00 1.01 -1.26 -1.42 120.40 122.80 1wcq s VAL 58 Ca -0.08 -0.81 -0.38 0.00 0.00 0.00 0.00 61.98 60.72 1wcq s VAL 58 Cb -0.10 -2.07 -0.17 0.00 0.00 0.00 0.00 36.38 34.04 1wcq s VAL 58 CO -0.10 0.52 1.41 0.59 0.00 0.00 0.00 175.10 177.52 1wcq n ASN 59 N 4.10 1.69 0.00 3.32 3.02 -0.00 -1.20 115.26 126.19 1wcq n ASN 59 Ca -0.19 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 1wcq n ASN 59 Cb 0.52 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 1wcq n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wcq n GLY 60 N 2.82 3.27 3.82 7.41 0.00 0.39 -4.91 105.19 117.98 1wcq n GLY 60 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1wcq n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 61 N -0.74 3.26 -0.72 1.61 0.52 -0.34 -4.65 118.95 117.89 1wcq s ARG 61 Ca 0.00 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1wcq s ARG 61 Cb 0.00 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1wcq s ARG 61 CO 0.00 0.72 0.00 0.39 0.02 0.00 0.00 175.30 176.43 1wcq n GLU 62 N 1.76 -0.50 0.00 3.54 -0.58 -1.26 -4.23 120.64 119.36 1wcq n GLU 62 Ca -0.17 0.68 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 1wcq n GLU 62 Cb 0.54 -4.49 0.00 0.00 -0.57 0.00 0.00 31.44 26.91 1wcq n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wcq n GLY 63 N -1.95 1.22 2.95 0.62 0.00 -1.26 -5.09 105.19 101.68 1wcq n GLY 63 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1wcq n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wcq s PHE 64 N -1.45 0.41 -0.48 1.61 0.08 -1.26 -4.98 117.98 111.91 1wcq s PHE 64 Ca 0.00 -0.08 0.26 0.00 0.12 0.00 0.00 56.93 57.23 1wcq s PHE 64 Cb 0.00 -0.26 0.83 0.00 -0.57 0.00 0.00 43.02 43.01 1wcq s PHE 64 CO 0.00 -0.01 1.76 -1.00 -0.10 0.00 0.00 175.22 175.87 1wcq h PRO 65 N 6.01 0.00 -3.05 0.24 0.13 -1.86 0.11 132.00 133.58 1wcq h PRO 65 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1wcq h PRO 65 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 1wcq h PRO 65 CO 0.50 0.00 -0.36 1.21 -0.23 0.00 0.00 178.00 179.12 1wcq s ASN 66 N -5.03 -0.27 -0.04 1.44 3.84 -1.24 -3.09 114.94 110.55 1wcq s ASN 66 Ca 0.07 0.45 0.02 0.00 0.21 0.00 0.00 52.86 53.61 1wcq s ASN 66 Cb 0.09 0.53 0.01 0.00 -0.55 0.00 0.00 41.25 41.33 1wcq s ASN 66 CO 0.56 -0.19 -0.08 -0.31 -2.79 0.00 0.00 177.10 174.29 1wcq s TYR 67 N -0.22 0.96 0.23 0.43 2.02 -1.26 -1.83 117.35 117.68 1wcq s TYR 67 Ca -0.04 -0.27 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 1wcq s TYR 67 Cb -0.03 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.81 1wcq s TYR 67 CO 0.01 -0.16 0.52 1.03 -1.57 0.00 0.00 175.55 175.38 1wcq s ARG 68 N 0.51 1.51 -0.01 -0.62 0.52 -1.10 -4.36 118.95 115.40 1wcq s ARG 68 Ca -0.08 -1.08 -0.00 0.00 -0.52 0.00 0.00 55.73 54.05 1wcq s ARG 68 Cb -0.12 0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.86 1wcq s ARG 68 CO 0.01 -0.64 0.01 -0.89 0.02 0.00 0.00 175.30 173.81 1wcq n ILE 69 N -0.37 -2.11 -2.78 1.52 2.08 -1.26 -0.22 119.36 116.21 1wcq n ILE 69 Ca -0.05 0.02 -0.37 0.00 0.56 0.00 0.00 62.75 62.91 1wcq n ILE 69 Cb 0.62 -4.03 -0.06 0.00 -0.75 0.00 0.00 39.64 35.41 1wcq n ILE 69 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wcq s PRO 70 N -1.18 4.54 -0.01 0.38 0.04 -1.26 -3.96 135.00 133.54 1wcq s PRO 70 Ca 0.00 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1wcq s PRO 70 Cb -0.00 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.82 1wcq s PRO 70 CO 0.02 0.24 -0.01 0.00 0.04 0.00 0.00 177.00 177.28 1wcq s ALA 71 N -1.67 0.26 -0.01 8.56 0.00 0.03 -3.32 121.76 125.61 1wcq s ALA 71 Ca 0.52 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1wcq s ALA 71 Cb -0.18 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1wcq s ALA 71 CO 0.23 -0.01 -0.01 -1.17 0.00 0.00 0.00 175.76 174.80 1wcq s LEU 72 N 0.46 1.64 0.22 0.00 2.96 -1.24 -0.29 118.68 122.43 1wcq s LEU 72 Ca -0.04 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1wcq s LEU 72 Cb -0.07 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 1wcq s LEU 72 CO -0.01 -0.03 0.27 0.28 -1.32 0.00 0.00 176.35 175.54 1wcq s THR 73 N 0.40 0.00 -0.18 3.68 -1.32 -0.04 -4.75 115.64 113.43 1wcq s THR 73 Ca -0.04 -1.77 0.01 0.00 -1.21 0.00 0.00 61.69 58.67 1wcq s THR 73 Cb -0.06 -2.40 0.02 0.00 -1.51 0.00 0.00 72.50 68.54 1wcq s THR 73 CO -0.01 0.00 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.53 1wcq s VAL 74 N -4.06 2.24 0.79 5.08 1.01 -1.26 -1.61 120.40 122.58 1wcq s VAL 74 Ca 0.33 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1wcq s VAL 74 Cb 0.04 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.54 1wcq s VAL 74 CO 0.11 0.53 1.14 0.42 0.00 0.00 0.00 175.10 177.31 1wcq s THR 75 N 1.26 2.62 0.56 3.92 -4.23 -0.08 -4.85 115.64 114.84 1wcq s THR 75 Ca 0.04 0.24 0.30 0.00 -1.18 0.00 0.00 61.69 61.10 1wcq s THR 75 Cb -0.13 -2.61 0.44 0.00 1.34 0.00 0.00 72.50 71.53 1wcq s THR 75 CO -0.11 -0.22 1.87 -0.65 -0.54 0.00 0.00 174.62 174.97 1wcq h PRO 76 N -0.95 0.00 -0.11 3.99 0.11 -1.90 0.65 132.00 133.79 1wcq h PRO 76 Ca -0.45 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1wcq h PRO 76 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1wcq h PRO 76 CO 0.48 0.00 0.08 -0.44 -0.21 0.00 0.00 178.00 177.91 1wcq h ASP 77 N 0.00 0.00 0.00 -2.05 3.32 -1.98 -3.47 116.42 112.24 1wcq h ASP 77 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1wcq h ASP 77 Cb 1.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1wcq h ASP 77 CO -0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1wcq n GLY 78 N -1.55 0.76 3.77 2.75 0.00 0.23 -5.07 105.19 106.07 1wcq n GLY 78 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1wcq n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wcq s ASP 79 N -2.99 6.39 -0.00 1.61 1.11 -1.26 -4.58 116.67 116.95 1wcq s ASP 79 Ca 0.00 2.48 -0.12 0.00 0.18 0.00 0.00 52.55 55.09 1wcq s ASP 79 Cb 0.00 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 1wcq s ASP 79 CO 0.00 -0.78 0.36 -0.76 1.18 0.00 0.00 175.17 175.17 1wcq s LEU 80 N -2.51 4.43 -0.13 1.23 1.02 -0.03 -0.90 118.68 121.80 1wcq s LEU 80 Ca 0.57 0.83 0.01 0.00 0.02 0.00 0.00 54.13 55.56 1wcq s LEU 80 Cb -0.34 -2.59 0.02 0.00 0.02 0.00 0.00 46.19 43.30 1wcq s LEU 80 CO 0.43 0.30 -0.14 -0.76 0.02 0.00 0.00 176.35 176.20 1wcq s LEU 81 N -1.28 1.65 -0.14 1.79 1.43 -0.63 -0.84 118.68 120.66 1wcq s LEU 81 Ca 0.24 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1wcq s LEU 81 Cb -0.15 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 1wcq s LEU 81 CO 0.13 -0.03 -0.02 0.00 0.23 0.00 0.00 176.35 176.66 1wcq s ALA 82 N 1.31 3.12 0.12 4.21 0.00 -0.11 -0.86 121.76 129.55 1wcq s ALA 82 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1wcq s ALA 82 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1wcq s ALA 82 CO -0.07 0.32 -0.13 0.45 0.00 0.00 0.00 175.76 176.33 1wcq s SER 83 N 0.01 1.89 -0.02 0.00 0.15 0.60 -0.63 113.70 115.70 1wcq s SER 83 Ca 0.02 -0.85 -0.30 0.00 0.70 0.00 0.00 55.95 55.52 1wcq s SER 83 Cb -0.13 -0.05 0.11 0.00 -1.71 0.00 0.00 66.02 64.24 1wcq s SER 83 CO 0.02 -0.20 1.16 -0.72 1.20 0.00 0.00 173.24 174.71 1wcq s TYR 84 N -2.41 -0.11 0.24 3.44 -0.85 -1.06 -0.78 117.35 115.82 1wcq s TYR 84 Ca 0.10 -0.03 -0.30 0.00 -0.52 0.00 0.00 57.07 56.32 1wcq s TYR 84 Cb -0.03 0.56 -0.09 0.00 0.38 0.00 0.00 41.96 42.78 1wcq s TYR 84 CO 0.02 -0.41 0.99 -0.51 -1.52 0.00 0.00 175.55 174.12 1wcq s ASP 85 N -2.74 7.53 -0.24 -0.18 1.11 0.69 -0.67 116.67 122.17 1wcq s ASP 85 Ca 0.12 2.03 -0.16 0.00 0.18 0.00 0.00 52.55 54.72 1wcq s ASP 85 Cb 0.02 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1wcq s ASP 85 CO -0.03 0.06 0.42 -0.83 1.18 0.00 0.00 175.17 175.96 1wcq s GLY 86 N -1.01 1.96 -0.48 0.21 0.00 -0.18 -2.70 107.32 105.11 1wcq s GLY 86 Ca 0.42 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 1wcq s GLY 86 CO 0.34 0.97 0.26 0.50 0.00 0.00 0.00 173.10 175.18 1wcq s ARG 87 N 1.81 2.10 0.52 2.90 0.52 -0.76 -0.98 118.95 125.07 1wcq s ARG 87 Ca 0.18 -2.17 0.28 0.00 -0.52 0.00 0.00 55.73 53.51 1wcq s ARG 87 Cb -0.15 -3.54 1.43 0.00 0.52 0.00 0.00 34.95 33.21 1wcq s ARG 87 CO 0.09 -1.09 2.05 -1.35 0.02 0.00 0.00 175.30 175.02 1wcq h PRO 88 N 7.44 0.00 -0.36 3.54 0.11 -1.85 -2.27 132.00 138.62 1wcq h PRO 88 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1wcq h PRO 88 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1wcq h PRO 88 CO 0.68 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.83 1wcq n THR 89 N -3.55 1.21 -2.52 -1.15 -2.24 -1.26 -4.76 114.28 100.02 1wcq n THR 89 Ca -0.01 -1.13 -0.18 0.00 -2.27 0.00 0.00 64.05 60.45 1wcq n THR 89 Cb 0.26 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1wcq n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wcq n GLY 90 N 0.42 -0.50 3.33 3.38 0.00 -0.86 -5.02 105.19 105.94 1wcq n GLY 90 Ca 0.14 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1wcq n GLY 90 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wcq s ILE 91 N -2.91 1.32 1.25 -0.61 -4.36 -1.26 -5.07 121.20 109.57 1wcq s ILE 91 Ca 0.05 -2.09 -0.20 0.00 -0.26 0.00 0.00 60.65 58.14 1wcq s ILE 91 Cb -0.02 -2.17 0.31 0.00 1.25 0.00 0.00 42.46 41.83 1wcq s ILE 91 CO 0.06 -0.49 1.09 1.51 0.24 0.00 0.00 174.94 177.34 1wcq s ASP 92 N -3.29 0.46 0.42 4.36 1.47 -1.26 -4.50 116.67 114.32 1wcq s ASP 92 Ca 0.24 0.60 -0.25 0.00 1.18 0.00 0.00 52.55 54.32 1wcq s ASP 92 Cb 0.03 -0.81 -0.10 0.00 -0.34 0.00 0.00 42.92 41.70 1wcq s ASP 92 CO 0.07 -4.40 1.09 0.00 0.68 0.00 0.00 175.17 172.61 1wcq n ALA 93 N -4.94 0.50 -0.23 2.11 0.00 -1.26 -0.22 120.51 116.48 1wcq n ALA 93 Ca 0.14 0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 1wcq n ALA 93 Cb 0.60 -2.14 0.06 0.00 0.00 0.00 0.00 19.45 17.97 1wcq n ALA 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wcq n PRO 94 N 0.13 1.58 -1.57 0.00 -0.04 -1.26 -4.33 135.00 129.50 1wcq n PRO 94 Ca 0.09 -1.28 -0.43 0.00 -0.04 0.00 0.00 63.50 61.83 1wcq n PRO 94 Cb 0.39 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1wcq n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wcq n GLY 95 N 0.04 -0.51 2.57 0.55 0.00 0.70 -4.76 105.19 103.77 1wcq n GLY 95 Ca 0.25 0.21 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 1wcq n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wcq n PRO 96 N 0.51 3.02 -2.20 1.61 -0.04 -1.26 -4.22 135.00 132.41 1wcq n PRO 96 Ca 0.10 -2.25 -0.30 0.00 -0.04 0.00 0.00 63.50 61.01 1wcq n PRO 96 Cb 0.36 -2.96 -0.00 0.00 -0.04 0.00 0.00 33.50 30.85 1wcq n PRO 96 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wcq s ASN 97 N 2.94 6.32 0.01 3.54 0.01 -1.26 -4.31 114.94 122.18 1wcq s ASN 97 Ca 0.57 1.30 0.04 0.00 -0.71 0.00 0.00 52.86 54.07 1wcq s ASN 97 Cb 0.15 -2.41 -0.03 0.00 0.41 0.00 0.00 41.25 39.37 1wcq s ASN 97 CO -0.05 -0.72 -0.11 -0.44 -1.51 0.00 0.00 177.10 174.26 1wcq s SER 98 N -3.92 4.28 -0.02 -1.22 0.01 -0.15 -0.71 113.70 111.97 1wcq s SER 98 Ca 0.53 -0.24 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 1wcq s SER 98 Cb -0.11 -0.90 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 1wcq s SER 98 CO 0.47 0.28 0.71 -0.63 0.41 0.00 0.00 173.24 174.48 1wcq s ILE 99 N -0.93 4.91 0.35 1.44 -1.09 -0.33 -1.01 121.20 124.54 1wcq s ILE 99 Ca 0.15 1.48 0.06 0.00 -2.23 0.00 0.00 60.65 60.11 1wcq s ILE 99 Cb -0.11 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 1wcq s ILE 99 CO 0.06 0.32 0.02 -0.76 -1.23 0.00 0.00 174.94 173.34 1wcq s LEU 100 N 0.33 2.49 -0.25 2.97 1.43 0.16 -0.65 118.68 125.16 1wcq s LEU 100 Ca 0.37 -1.34 -0.21 0.00 -1.03 0.00 0.00 54.13 51.92 1wcq s LEU 100 Cb -0.19 -0.63 0.07 0.00 0.03 0.00 0.00 46.19 45.47 1wcq s LEU 100 CO 0.20 -0.49 0.64 -1.58 0.23 0.00 0.00 176.35 175.35 1wcq s GLN 101 N -3.79 0.73 0.01 1.70 0.74 0.03 -2.55 119.66 116.53 1wcq s GLN 101 Ca 0.35 0.95 0.08 0.00 0.05 0.00 0.00 55.36 56.79 1wcq s GLN 101 Cb 0.08 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.48 1wcq s GLN 101 CO 0.16 -0.10 -0.24 1.03 -0.55 0.00 0.00 175.29 175.58 1wcq s ARG 102 N 0.61 1.83 0.04 1.67 0.52 0.20 -0.39 118.95 123.43 1wcq s ARG 102 Ca -0.02 -0.95 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 1wcq s ARG 102 Cb -0.05 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 1wcq s ARG 102 CO -0.03 0.50 -0.06 0.50 0.02 0.00 0.00 175.30 176.22 1wcq s ARG 103 N -0.86 2.45 -0.06 3.54 3.52 -1.26 -0.94 118.95 125.34 1wcq s ARG 103 Ca 0.10 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 1wcq s ARG 103 Cb -0.09 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 1wcq s ARG 103 CO 0.00 0.57 -0.17 0.45 -0.81 0.00 0.00 175.30 175.34 1wcq s SER 104 N -1.77 2.28 -0.06 -2.12 0.15 -0.02 -0.81 113.70 111.34 1wcq s SER 104 Ca 0.20 -0.39 0.13 0.00 0.70 0.00 0.00 55.95 56.59 1wcq s SER 104 Cb -0.11 -0.87 0.41 0.00 -1.71 0.00 0.00 66.02 63.74 1wcq s SER 104 CO 0.11 0.12 1.34 0.35 1.20 0.00 0.00 173.24 176.35 1wcq n THR 105 N 3.44 1.46 -2.45 6.45 -2.24 -1.26 -0.85 114.28 118.83 1wcq n THR 105 Ca -0.20 -1.29 -0.15 0.00 -2.27 0.00 0.00 64.05 60.15 1wcq n THR 105 Cb 0.52 0.24 0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1wcq n THR 105 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wcq n ASP 106 N 0.25 3.32 -1.50 3.42 5.68 -1.26 -4.95 116.55 121.51 1wcq n ASP 106 Ca 0.16 -3.05 -0.15 0.00 -0.50 0.00 0.00 54.79 51.25 1wcq n ASP 106 Cb 0.61 -0.43 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 1wcq n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcq n GLY 107 N -0.54 0.29 0.00 6.12 0.00 -1.26 -3.37 105.19 106.43 1wcq n GLY 107 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1wcq n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 108 N -1.07 1.45 0.07 -0.02 0.00 -1.26 -5.00 105.19 99.37 1wcq n GLY 108 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1wcq n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wcq h ARG 109 N 2.77 -0.05 -6.36 1.61 -0.00 -1.97 -3.45 114.38 106.94 1wcq h ARG 109 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.88 1wcq h ARG 109 Cb 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 29.97 29.79 1wcq h ARG 109 CO 0.00 0.37 -0.81 0.95 0.00 0.00 0.00 179.97 180.47 1wcq s THR 110 N -4.45 2.09 -0.01 2.04 -4.23 -1.26 -5.12 115.64 104.70 1wcq s THR 110 Ca -0.15 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.49 1wcq s THR 110 Cb 0.02 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 1wcq s THR 110 CO 0.65 -0.16 -0.16 0.26 -0.54 0.00 0.00 174.62 174.67 1wcq s TRP 111 N -1.69 1.48 0.17 3.99 0.52 -1.26 -4.35 118.94 117.81 1wcq s TRP 111 Ca 0.17 -0.29 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 1wcq s TRP 111 Cb -0.08 -0.96 0.04 0.00 -1.15 0.00 0.00 33.47 31.33 1wcq s TRP 111 CO 0.08 -0.03 0.20 0.41 0.02 0.00 0.00 176.95 177.63 1wcq n GLY 112 N 2.71 -1.68 3.76 0.98 0.00 0.01 -4.98 105.19 105.98 1wcq n GLY 112 Ca -0.15 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1wcq n GLY 112 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wcq s GLU 113 N -3.45 3.39 -0.02 1.61 -1.05 -1.26 -4.61 118.70 113.31 1wcq s GLU 113 Ca 0.12 2.03 -0.30 0.00 -0.15 0.00 0.00 54.97 56.67 1wcq s GLU 113 Cb -0.01 -2.31 -0.07 0.00 -0.44 0.00 0.00 34.13 31.31 1wcq s GLU 113 CO 0.09 -0.92 1.71 -1.14 0.95 0.00 0.00 175.26 175.95 1wcq s GLN 114 N -2.83 4.18 0.33 -4.83 0.74 -1.26 -4.49 119.66 111.49 1wcq s GLN 114 Ca 0.68 2.29 0.09 0.00 0.05 0.00 0.00 55.36 58.47 1wcq s GLN 114 Cb -0.35 -3.97 -0.05 0.00 1.10 0.00 0.00 33.01 29.74 1wcq s GLN 114 CO 0.42 -0.85 -0.01 -0.65 -0.55 0.00 0.00 175.29 173.65 1wcq s GLN 115 N 3.93 2.05 -0.35 1.67 -0.21 0.47 -4.91 119.66 122.30 1wcq s GLN 115 Ca 0.76 -1.75 -0.21 0.00 0.02 0.00 0.00 55.36 54.18 1wcq s GLN 115 Cb -0.36 -1.91 0.00 0.00 1.00 0.00 0.00 33.01 31.74 1wcq s GLN 115 CO 0.32 0.15 0.64 0.08 -2.12 0.00 0.00 175.29 174.37 1wcq s VAL 116 N -2.52 4.89 -0.09 1.09 1.01 -1.26 -0.79 120.40 122.73 1wcq s VAL 116 Ca 0.34 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.77 1wcq s VAL 116 Cb -0.00 -4.07 -0.28 0.00 0.00 0.00 0.00 36.38 32.02 1wcq s VAL 116 CO 0.19 -0.30 0.68 0.58 0.00 0.00 0.00 175.10 176.25 1wcq h VAL 117 N 5.66 1.24 -3.15 2.92 2.07 -1.19 -3.46 116.25 120.34 1wcq h VAL 117 Ca -0.26 -2.44 -0.31 0.00 0.82 0.00 0.00 66.70 64.50 1wcq h VAL 117 Cb 1.11 2.91 -0.36 0.00 -1.52 0.00 0.00 31.29 33.42 1wcq h VAL 117 CO 0.84 0.69 -0.66 -0.44 0.02 0.00 0.00 177.57 178.01 1wcq s SER 118 N -6.98 0.82 -0.30 0.57 0.01 -1.08 -4.95 113.70 101.80 1wcq s SER 118 Ca -0.18 0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.20 1wcq s SER 118 Cb 0.03 0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 1wcq s SER 118 CO 0.78 -0.24 0.36 0.00 0.41 0.00 0.00 173.24 174.54 1wcq s ALA 119 N 2.22 3.53 0.83 1.44 0.00 -1.26 -1.18 121.76 127.35 1wcq s ALA 119 Ca 0.03 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 1wcq s ALA 119 Cb -0.12 -2.73 0.06 0.00 0.00 0.00 0.00 23.12 20.32 1wcq s ALA 119 CO -0.05 -0.80 0.91 0.41 0.00 0.00 0.00 175.76 176.23 1wcq n GLY 120 N 4.82 -0.74 2.89 0.00 0.00 -1.11 -4.88 105.19 106.17 1wcq n GLY 120 Ca -0.09 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1wcq n GLY 120 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wcq s GLN 121 N -3.83 1.31 0.05 1.61 0.74 0.11 -4.95 119.66 114.71 1wcq s GLN 121 Ca 0.68 -1.14 0.27 0.00 0.05 0.00 0.00 55.36 55.23 1wcq s GLN 121 Cb -0.28 -2.53 0.97 0.00 1.10 0.00 0.00 33.01 32.28 1wcq s GLN 121 CO 0.56 -0.76 1.78 0.25 -0.55 0.00 0.00 175.29 176.57 1wcq n THR 122 N 4.66 0.15 -3.84 -0.34 -2.24 -1.26 -1.66 114.28 109.76 1wcq n THR 122 Ca -0.06 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.28 1wcq n THR 122 Cb 0.43 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.21 1wcq n THR 122 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wcq s THR 123 N -3.03 5.31 0.26 4.28 -4.23 -1.26 -4.95 115.64 112.02 1wcq s THR 123 Ca 0.12 0.15 -0.31 0.00 -1.18 0.00 0.00 61.69 60.47 1wcq s THR 123 Cb 0.17 -3.38 -0.12 0.00 1.34 0.00 0.00 72.50 70.51 1wcq s THR 123 CO 0.58 0.50 1.65 0.00 -0.54 0.00 0.00 174.62 176.81 1wcq n ALA 124 N 3.01 2.66 -2.42 3.99 0.00 -1.26 -3.69 120.51 122.80 1wcq n ALA 124 Ca -0.17 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1wcq n ALA 124 Cb 0.53 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 1wcq n ALA 124 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wcq s PRO 125 N 0.12 4.48 0.33 0.00 0.04 -1.26 -5.14 135.00 133.57 1wcq s PRO 125 Ca 0.68 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 1wcq s PRO 125 Cb -0.50 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.59 1wcq s PRO 125 CO 0.42 -0.16 1.20 0.42 0.04 0.00 0.00 177.00 178.92 1wcq s ILE 126 N 0.85 3.09 -0.02 0.56 -1.09 -1.24 -4.87 121.20 118.48 1wcq s ILE 126 Ca 0.56 1.05 0.02 0.00 -2.23 0.00 0.00 60.65 60.05 1wcq s ILE 126 Cb -0.28 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1wcq s ILE 126 CO 0.30 0.21 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.60 1wcq s LYS 127 N -1.81 0.82 -0.02 2.79 1.02 -0.66 -4.59 119.74 117.29 1wcq s LYS 127 Ca 0.50 -0.27 0.06 0.00 0.02 0.00 0.00 55.97 56.28 1wcq s LYS 127 Cb -0.35 -0.78 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1wcq s LYS 127 CO 0.45 0.11 -0.19 0.20 -0.92 0.00 0.00 175.35 175.00 1wcq s GLY 128 N 0.15 0.93 -0.12 -3.33 0.00 0.13 0.10 107.32 105.18 1wcq s GLY 128 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1wcq s GLY 128 CO 0.00 -0.62 -0.16 -1.36 0.00 0.00 0.00 173.10 170.96 1wcq s PHE 129 N -0.36 2.08 -0.01 1.90 0.08 0.11 0.08 117.98 121.86 1wcq s PHE 129 Ca 0.05 -1.04 -0.24 0.00 0.12 0.00 0.00 56.93 55.82 1wcq s PHE 129 Cb -0.08 -1.50 0.05 0.00 -0.57 0.00 0.00 43.02 40.92 1wcq s PHE 129 CO -0.00 -0.54 0.54 0.45 -0.10 0.00 0.00 175.22 175.57 1wcq s SER 130 N 1.10 -0.48 -0.47 1.36 0.15 -1.18 -2.91 113.70 111.27 1wcq s SER 130 Ca -0.04 0.39 -0.01 0.00 0.70 0.00 0.00 55.95 57.00 1wcq s SER 130 Cb -0.14 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1wcq s SER 130 CO -0.04 -0.61 0.43 0.47 1.20 0.00 0.00 173.24 174.69 1wcq n ASP 131 N 0.82 -5.35 -4.78 5.45 9.92 -1.26 -0.86 116.55 120.49 1wcq n ASP 131 Ca -0.19 -0.10 -0.37 0.00 -0.53 0.00 0.00 54.79 53.60 1wcq n ASP 131 Cb 0.58 -3.53 -0.03 0.00 -0.64 0.00 0.00 41.12 37.50 1wcq n ASP 131 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wcq s PRO 132 N -3.12 4.07 -0.08 -0.24 0.04 -1.26 -4.26 135.00 130.15 1wcq s PRO 132 Ca 0.04 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 1wcq s PRO 132 Cb -0.01 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 32.01 1wcq s PRO 132 CO 0.44 -0.26 0.04 0.45 0.04 0.00 0.00 177.00 177.72 1wcq s SER 133 N -1.42 1.58 0.44 6.66 0.15 -0.68 -1.19 113.70 119.24 1wcq s SER 133 Ca 0.59 -0.13 -0.23 0.00 0.70 0.00 0.00 55.95 56.88 1wcq s SER 133 Cb -0.25 -0.30 -0.08 0.00 -1.71 0.00 0.00 66.02 63.67 1wcq s SER 133 CO 0.32 -0.24 1.10 -0.31 1.20 0.00 0.00 173.24 175.30 1wcq s TYR 134 N 2.07 3.06 -0.11 3.44 4.12 -0.92 -0.78 117.35 128.23 1wcq s TYR 134 Ca 0.04 1.59 -0.04 0.00 0.02 0.00 0.00 57.07 58.69 1wcq s TYR 134 Cb -0.13 -3.23 0.06 0.00 -1.52 0.00 0.00 41.96 37.14 1wcq s TYR 134 CO -0.05 -1.03 0.17 -1.17 0.02 0.00 0.00 175.55 173.48 1wcq s LEU 135 N -2.91 -0.05 -0.19 -1.29 0.20 -0.51 -0.07 118.68 113.86 1wcq s LEU 135 Ca 0.61 0.16 -0.16 0.00 0.69 0.00 0.00 54.13 55.44 1wcq s LEU 135 Cb -0.24 0.25 -0.04 0.00 -0.43 0.00 0.00 46.19 45.73 1wcq s LEU 135 CO 0.30 -0.27 0.40 -0.69 -0.29 0.00 0.00 176.35 175.80 1wcq s VAL 136 N 2.29 5.21 -0.68 1.68 1.01 -1.26 -0.68 120.40 127.96 1wcq s VAL 136 Ca 0.04 0.73 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1wcq s VAL 136 Cb -0.13 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.57 1wcq s VAL 136 CO -0.07 0.27 1.08 -0.62 0.00 0.00 0.00 175.10 175.76 1wcq s ASP 137 N 0.93 6.19 0.00 3.32 -1.08 -0.84 -4.53 116.67 120.66 1wcq s ASP 137 Ca 0.20 -0.72 0.24 0.00 -0.52 0.00 0.00 52.55 51.75 1wcq s ASP 137 Cb -0.15 -2.47 1.21 0.00 -1.46 0.00 0.00 42.92 40.06 1wcq s ASP 137 CO 0.08 -1.56 1.81 0.54 0.52 0.00 0.00 175.17 176.55 1wcq n ARG 138 N 8.29 1.30 -0.09 4.34 1.74 -1.26 0.49 116.66 131.46 1wcq n ARG 138 Ca -0.01 -0.44 -0.22 0.00 -0.77 0.00 0.00 57.85 56.41 1wcq n ARG 138 Cb 0.47 -1.40 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 1wcq n ARG 138 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1wcq n GLU 139 N -0.40 0.59 -0.01 5.56 1.02 -1.26 -4.58 120.64 121.57 1wcq n GLU 139 Ca 0.18 0.52 -0.08 0.00 -0.02 0.00 0.00 57.16 57.76 1wcq n GLU 139 Cb 0.19 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 29.74 1wcq n GLU 139 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wcq h THR 140 N -0.84 1.00 0.00 2.62 1.35 -1.97 -3.49 112.91 111.58 1wcq h THR 140 Ca -0.38 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 62.65 1wcq h THR 140 Cb 1.43 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1wcq h THR 140 CO -0.18 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1wcq n GLY 141 N 1.52 0.81 3.77 5.82 0.00 0.18 -5.07 105.19 112.21 1wcq n GLY 141 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1wcq n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 142 N -2.23 2.61 -0.02 2.61 2.01 -1.22 -4.68 115.64 114.72 1wcq s THR 142 Ca 0.00 0.59 0.02 0.00 0.31 0.00 0.00 61.69 62.61 1wcq s THR 142 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1wcq s THR 142 CO 0.00 0.12 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.37 1wcq s ILE 143 N -1.19 3.83 0.10 1.82 -1.09 -0.32 -1.99 121.20 122.35 1wcq s ILE 143 Ca 0.52 -0.65 0.10 0.00 -2.23 0.00 0.00 60.65 58.40 1wcq s ILE 143 Cb -0.40 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1wcq s ILE 143 CO 0.52 0.44 -0.26 -0.36 -1.23 0.00 0.00 174.94 174.05 1wcq s PHE 144 N -0.98 2.22 -0.26 3.97 0.08 0.14 -0.56 117.98 122.58 1wcq s PHE 144 Ca 0.17 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 1wcq s PHE 144 Cb -0.11 -1.24 0.08 0.00 -0.57 0.00 0.00 43.02 41.18 1wcq s PHE 144 CO 0.07 0.25 0.07 1.21 -0.10 0.00 0.00 175.22 176.71 1wcq s ASN 145 N -1.77 3.55 0.29 1.36 3.84 -0.38 -1.43 114.94 120.40 1wcq s ASN 145 Ca 0.12 -1.26 -0.25 0.00 0.21 0.00 0.00 52.86 51.68 1wcq s ASN 145 Cb -0.10 -0.74 -0.09 0.00 -0.55 0.00 0.00 41.25 39.77 1wcq s ASN 145 CO 0.04 -0.36 0.89 -0.36 -2.79 0.00 0.00 177.10 174.52 1wcq s PHE 146 N 1.73 3.72 0.14 0.43 0.08 0.04 -1.37 117.98 122.75 1wcq s PHE 146 Ca 0.04 1.71 -0.25 0.00 0.12 0.00 0.00 56.93 58.56 1wcq s PHE 146 Cb -0.17 -2.86 0.07 0.00 -0.57 0.00 0.00 43.02 39.48 1wcq s PHE 146 CO -0.18 0.27 0.91 -3.38 -0.10 0.00 0.00 175.22 172.74 1wcq s HIS 147 N -1.54 -0.19 0.53 0.36 -3.43 -0.82 -1.68 115.29 108.52 1wcq s HIS 147 Ca 0.47 -0.10 -0.18 0.00 -0.80 0.00 0.00 55.06 54.46 1wcq s HIS 147 Cb -0.19 0.63 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 1wcq s HIS 147 CO 0.24 -0.82 1.03 0.14 -2.00 0.00 0.00 174.74 173.33 1wcq s VAL 148 N -3.34 3.99 -0.30 -5.38 -7.23 -0.04 -1.27 120.40 106.83 1wcq s VAL 148 Ca 0.10 1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 61.31 1wcq s VAL 148 Cb -0.02 -3.49 0.05 0.00 0.56 0.00 0.00 36.38 33.48 1wcq s VAL 148 CO 0.00 -0.45 -0.00 -0.47 -0.31 0.00 0.00 175.10 173.87 1wcq s TYR 149 N -2.32 3.25 0.22 2.82 5.04 -0.61 -3.08 117.35 122.67 1wcq s TYR 149 Ca 0.64 -1.85 0.07 0.00 -2.44 0.00 0.00 57.07 53.49 1wcq s TYR 149 Cb -0.14 -2.10 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 1wcq s TYR 149 CO 0.29 -0.80 0.10 -1.54 -1.34 0.00 0.00 175.55 172.26 1wcq s SER 150 N 1.26 5.16 0.00 4.32 1.04 0.11 -1.30 113.70 124.29 1wcq s SER 150 Ca -0.05 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1wcq s SER 150 Cb -0.20 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.71 1wcq s SER 150 CO -0.01 0.02 0.00 0.00 0.98 0.00 0.00 173.24 174.23 1wcq n GLN 151 N -0.69 0.00 0.16 4.02 6.02 -1.26 -0.70 117.38 124.93 1wcq n GLN 151 Ca -0.08 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1wcq n GLN 151 Cb 0.57 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.91 1wcq n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wcq h ARG 152 N 0.00 0.00 -6.16 -1.09 3.08 -1.48 -3.45 114.38 105.28 1wcq h ARG 152 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1wcq h ARG 152 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 1wcq h ARG 152 CO 0.00 0.12 -0.84 -0.65 -1.07 0.00 0.00 179.97 177.53 1wcq s GLN 153 N -3.17 1.31 0.00 0.04 -1.52 -1.25 -4.84 119.66 110.22 1wcq s GLN 153 Ca 0.04 -1.04 0.00 0.00 -1.95 0.00 0.00 55.36 52.41 1wcq s GLN 153 Cb 0.07 -1.49 0.00 0.00 -0.22 0.00 0.00 33.01 31.37 1wcq s GLN 153 CO 0.72 0.37 0.00 0.41 -0.25 0.00 0.00 175.29 176.54 1wcq n GLY 154 N 1.55 1.78 0.17 3.09 0.00 -1.26 -4.43 105.19 106.08 1wcq n GLY 154 Ca -0.18 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 1wcq n GLY 154 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wcq h PHE 155 N 0.00 -0.31 -0.55 1.61 3.57 -1.94 -1.24 116.94 118.09 1wcq h PHE 155 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1wcq h PHE 155 Cb 0.00 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1wcq h PHE 155 CO 0.00 -0.06 0.36 0.00 -2.23 0.00 0.00 178.31 176.39 1wcq h ALA 156 N 0.18 1.66 0.00 2.41 0.00 -1.96 -3.14 119.26 118.41 1wcq h ALA 156 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wcq h ALA 156 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wcq h ALA 156 CO 0.06 0.29 -0.81 0.41 0.00 0.00 0.00 179.25 179.20 1wcq n GLY 157 N -1.46 -1.24 3.60 0.00 0.00 -1.08 -4.97 105.19 100.05 1wcq n GLY 157 Ca 0.06 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1wcq n GLY 157 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wcq n SER 158 N -1.82 1.06 -4.63 1.61 2.88 -0.49 -4.84 113.62 107.38 1wcq n SER 158 Ca 0.03 0.98 -0.24 0.00 -1.33 0.00 0.00 58.87 58.32 1wcq n SER 158 Cb 0.40 -1.35 -0.08 0.00 -0.75 0.00 0.00 64.21 62.44 1wcq n SER 158 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wcq s ARG 159 N -2.13 2.27 0.65 -1.46 0.52 -0.36 -4.71 118.95 113.73 1wcq s ARG 159 Ca 0.65 -1.36 -0.17 0.00 -0.52 0.00 0.00 55.73 54.33 1wcq s ARG 159 Cb -0.53 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 1wcq s ARG 159 CO 0.55 0.38 0.78 -2.30 0.02 0.00 0.00 175.30 174.74 1wcq n PRO 160 N -0.67 0.59 0.00 3.54 -0.02 -1.26 -4.64 135.00 132.53 1wcq n PRO 160 Ca -0.07 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1wcq n PRO 160 Cb 0.58 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1wcq n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcq n GLY 161 N 1.43 3.70 0.00 -1.23 0.00 -1.26 -4.96 105.19 102.87 1wcq n GLY 161 Ca 0.12 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1wcq n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 162 N -1.32 0.00 -1.77 2.61 -2.24 -1.26 -4.97 114.28 105.33 1wcq n THR 162 Ca 0.00 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1wcq n THR 162 Cb 0.00 1.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1wcq n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wcq s ASP 163 N -0.07 6.44 0.54 3.42 2.15 -1.26 -4.22 116.67 123.66 1wcq s ASP 163 Ca 0.00 2.78 0.29 0.00 0.43 0.00 0.00 52.55 56.05 1wcq s ASP 163 Cb 0.00 -2.59 1.45 0.00 -0.30 0.00 0.00 42.92 41.48 1wcq s ASP 163 CO 0.00 -0.95 1.93 -0.65 -0.17 0.00 0.00 175.17 175.34 1wcq h PRO 164 N 7.27 0.00 -0.14 4.34 0.11 -1.98 -0.07 132.00 141.54 1wcq h PRO 164 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1wcq h PRO 164 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1wcq h PRO 164 CO 0.95 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 1wcq n ALA 165 N -2.63 2.48 -1.86 -0.75 0.00 -1.26 -4.92 120.51 111.57 1wcq n ALA 165 Ca 0.13 -0.69 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1wcq n ALA 165 Cb 0.78 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1wcq n ALA 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wcq s ASP 166 N -1.81 5.96 0.00 0.00 -1.08 -0.04 -4.87 116.67 114.84 1wcq s ASP 166 Ca 0.33 1.77 0.25 0.00 -0.52 0.00 0.00 52.55 54.39 1wcq s ASP 166 Cb 0.21 -2.52 1.32 0.00 -1.46 0.00 0.00 42.92 40.46 1wcq s ASP 166 CO 0.31 -1.57 1.84 -0.81 0.52 0.00 0.00 175.17 175.46 1wcq n PRO 167 N 8.20 0.45 -0.27 4.34 -0.04 -1.26 -2.60 135.00 143.83 1wcq n PRO 167 Ca 0.24 0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 1wcq n PRO 167 Cb 0.45 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.65 1wcq n PRO 167 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wcq n ASN 168 N -1.22 3.49 -4.58 3.54 3.02 -1.26 -1.27 115.26 116.98 1wcq n ASN 168 Ca 0.13 -1.97 -0.34 0.00 -0.03 0.00 0.00 54.58 52.37 1wcq n ASN 168 Cb 0.17 -0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 1wcq n ASN 168 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wcq s VAL 169 N -1.09 4.05 -0.57 2.41 1.01 -1.07 -1.22 120.40 123.92 1wcq s VAL 169 Ca 0.38 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.78 1wcq s VAL 169 Cb 0.21 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.88 1wcq s VAL 169 CO 0.27 0.54 1.04 -0.22 0.00 0.00 0.00 175.10 176.73 1wcq s LEU 170 N -0.20 3.85 0.47 3.92 2.96 -1.26 -4.58 118.68 123.84 1wcq s LEU 170 Ca 0.04 -0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 1wcq s LEU 170 Cb -0.13 -2.94 -0.08 0.00 0.50 0.00 0.00 46.19 43.54 1wcq s LEU 170 CO 0.02 -1.33 0.93 -1.00 -1.32 0.00 0.00 176.35 173.64 1wcq s HIS 171 N 4.35 3.43 -0.40 5.38 3.76 -0.42 -4.45 115.29 126.94 1wcq s HIS 171 Ca 0.35 1.40 -0.17 0.00 -0.15 0.00 0.00 55.06 56.49 1wcq s HIS 171 Cb -0.11 -2.72 0.01 0.00 1.11 0.00 0.00 32.58 30.87 1wcq s HIS 171 CO 0.21 -0.25 0.46 0.00 -0.85 0.00 0.00 174.74 174.31 1wcq s ALA 172 N -2.46 3.44 0.32 -1.40 0.00 -1.26 -1.57 121.76 118.82 1wcq s ALA 172 Ca 0.58 -1.35 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1wcq s ALA 172 Cb -0.10 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1wcq s ALA 172 CO 0.27 -1.45 0.17 -0.80 0.00 0.00 0.00 175.76 173.95 1wcq s ASN 173 N 1.81 4.95 -0.11 0.00 -0.87 -0.40 -0.72 114.94 119.61 1wcq s ASN 173 Ca 0.14 -0.61 -0.12 0.00 -1.57 0.00 0.00 52.86 50.70 1wcq s ASN 173 Cb -0.16 -0.91 0.03 0.00 -0.02 0.00 0.00 41.25 40.19 1wcq s ASN 173 CO 0.14 -0.24 0.33 0.54 -2.57 0.00 0.00 177.10 175.30 1wcq s VAL 174 N -2.34 0.01 -0.11 1.60 0.11 -0.35 -1.95 120.40 117.37 1wcq s VAL 174 Ca 0.37 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1wcq s VAL 174 Cb -0.05 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1wcq s VAL 174 CO 0.24 -0.05 -0.03 0.00 -3.33 0.00 0.00 175.10 171.93 1wcq s ALA 175 N -0.10 3.10 -0.06 1.54 0.00 -0.47 -0.09 121.76 125.69 1wcq s ALA 175 Ca -0.02 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1wcq s ALA 175 Cb -0.03 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1wcq s ALA 175 CO 0.01 0.45 -0.19 0.99 0.00 0.00 0.00 175.76 177.02 1wcq s THR 176 N -0.41 2.62 -0.11 0.00 2.01 -0.46 -1.25 115.64 118.03 1wcq s THR 176 Ca 0.07 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1wcq s THR 176 Cb -0.12 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1wcq s THR 176 CO 0.02 0.58 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.78 1wcq s SER 177 N -0.42 2.82 -0.23 3.53 0.15 0.27 -0.57 113.70 119.25 1wcq s SER 177 Ca 0.04 -0.52 0.14 0.00 0.70 0.00 0.00 55.95 56.32 1wcq s SER 177 Cb -0.12 -1.29 0.72 0.00 -1.71 0.00 0.00 66.02 63.62 1wcq s SER 177 CO 0.02 0.08 1.66 0.35 1.20 0.00 0.00 173.24 176.55 1wcq n THR 178 N 3.94 2.66 -2.64 6.45 -2.24 -1.26 -1.18 114.28 120.01 1wcq n THR 178 Ca -0.20 -1.61 -0.00 0.00 -2.27 0.00 0.00 64.05 59.97 1wcq n THR 178 Cb 0.52 -0.28 0.05 0.00 -2.10 0.00 0.00 70.33 68.52 1wcq n THR 178 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wcq n ASP 179 N 0.15 0.41 -0.85 3.42 5.68 -1.26 -4.99 116.55 119.12 1wcq n ASP 179 Ca 0.28 -2.06 -0.08 0.00 -0.50 0.00 0.00 54.79 52.42 1wcq n ASP 179 Cb 1.14 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 41.04 1wcq n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcq n GLY 180 N -0.56 0.28 1.20 6.12 0.00 -1.26 -3.03 105.19 107.95 1wcq n GLY 180 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1wcq n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 181 N -1.26 0.72 0.06 -0.02 0.00 -1.26 -4.98 105.19 98.45 1wcq n GLY 181 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1wcq n GLY 181 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wcq h LEU 182 N 0.00 0.02 -9.00 0.99 3.38 -1.95 -3.47 115.31 105.29 1wcq h LEU 182 Ca 0.00 -0.44 -0.40 0.00 0.09 0.00 0.00 57.88 57.12 1wcq h LEU 182 Cb 0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.60 1wcq h LEU 182 CO 0.00 0.46 -0.64 0.42 0.09 0.00 0.00 178.44 178.77 1wcq s THR 183 N -4.44 1.01 -0.14 0.22 -4.23 -1.26 -5.12 115.64 101.69 1wcq s THR 183 Ca -0.16 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.26 1wcq s THR 183 Cb 0.02 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1wcq s THR 183 CO 0.68 -0.17 0.33 0.26 -0.54 0.00 0.00 174.62 175.18 1wcq s TRP 184 N -3.43 -0.45 0.46 3.99 0.52 -1.26 -4.35 118.94 114.42 1wcq s TRP 184 Ca 0.33 1.02 0.08 0.00 0.02 0.00 0.00 56.10 57.55 1wcq s TRP 184 Cb 0.07 0.15 0.03 0.00 -1.15 0.00 0.00 33.47 32.57 1wcq s TRP 184 CO 0.12 -0.27 0.62 -1.54 0.02 0.00 0.00 176.95 175.89 1wcq s SER 185 N 1.18 5.49 0.00 2.95 1.04 0.27 -4.90 113.70 119.73 1wcq s SER 185 Ca -0.08 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1wcq s SER 185 Cb -0.08 -0.40 -0.00 0.00 0.10 0.00 0.00 66.02 65.63 1wcq s SER 185 CO -0.09 -0.91 -0.01 -1.00 0.98 0.00 0.00 173.24 172.21 1wcq s HIS 186 N -2.44 0.06 0.08 5.02 3.76 -1.26 -1.36 115.29 119.16 1wcq s HIS 186 Ca 0.56 -0.07 -0.07 0.00 -0.15 0.00 0.00 55.06 55.33 1wcq s HIS 186 Cb -0.09 -0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.55 1wcq s HIS 186 CO 0.34 -0.02 0.15 -0.98 -0.85 0.00 0.00 174.74 173.38 1wcq s ARG 187 N -0.20 0.81 -0.21 1.40 1.70 0.87 -5.00 118.95 118.32 1wcq s ARG 187 Ca -0.02 -1.02 -0.04 0.00 -0.47 0.00 0.00 55.73 54.18 1wcq s ARG 187 Cb -0.01 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1wcq s ARG 187 CO -0.00 -0.24 -0.02 0.99 -1.08 0.00 0.00 175.30 174.94 1wcq s THR 188 N -3.88 3.65 -1.03 4.99 2.01 -1.26 -1.22 115.64 118.91 1wcq s THR 188 Ca 0.06 -0.41 0.14 0.00 0.31 0.00 0.00 61.69 61.79 1wcq s THR 188 Cb 0.05 -2.66 0.43 0.00 0.01 0.00 0.00 72.50 70.34 1wcq s THR 188 CO -0.10 0.42 1.36 2.30 -0.69 0.00 0.00 174.62 177.91 1wcq n ILE 189 N 4.51 1.23 -0.22 1.82 -5.35 0.10 -4.80 119.36 116.65 1wcq n ILE 189 Ca -0.18 -1.12 -0.03 0.00 -0.27 0.00 0.00 62.75 61.15 1wcq n ILE 189 Cb 0.51 0.38 0.03 0.00 -1.74 0.00 0.00 39.64 38.82 1wcq n ILE 189 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1wcq h THR 190 N 2.56 0.21 0.00 7.28 2.02 -1.87 -0.75 112.91 122.37 1wcq h THR 190 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1wcq h THR 190 Cb 0.92 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1wcq h THR 190 CO 0.05 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.85 1wcq h ALA 191 N 1.26 1.64 -0.06 6.16 0.00 -1.87 -1.81 119.26 124.58 1wcq h ALA 191 Ca 0.27 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1wcq h ALA 191 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wcq h ALA 191 CO -0.70 0.11 -0.68 -0.44 0.00 0.00 0.00 179.25 177.54 1wcq h ASP 192 N 0.00 0.32 -0.34 0.00 3.32 -1.47 -3.32 116.42 114.93 1wcq h ASP 192 Ca -0.00 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 1wcq h ASP 192 Cb 0.17 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1wcq h ASP 192 CO 0.01 0.90 0.02 2.30 -1.72 0.00 0.00 179.24 180.75 1wcq n ILE 193 N -3.83 2.43 -3.57 0.35 -5.35 -0.84 -4.34 119.36 104.20 1wcq n ILE 193 Ca -0.03 -1.99 -0.27 0.00 -0.27 0.00 0.00 62.75 60.19 1wcq n ILE 193 Cb 0.67 -0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 38.19 1wcq n ILE 193 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1wcq n THR 194 N -0.55 1.30 0.95 7.28 -1.04 -0.74 -4.58 114.28 116.90 1wcq n THR 194 Ca 0.26 -4.73 0.14 0.00 -2.04 0.00 0.00 64.05 57.67 1wcq n THR 194 Cb 0.99 -2.06 0.55 0.00 -1.82 0.00 0.00 70.33 67.98 1wcq n THR 194 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1wcq n PRO 195 N 1.57 0.04 -3.83 -2.82 -0.04 -1.26 -4.50 135.00 124.15 1wcq n PRO 195 Ca 0.25 0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 63.38 1wcq n PRO 195 Cb 0.41 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 1wcq n PRO 195 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wcq s ASP 196 N -3.21 4.94 0.63 3.54 -1.08 -1.26 -4.98 116.67 115.24 1wcq s ASP 196 Ca 0.13 -0.94 0.33 0.00 -0.52 0.00 0.00 52.55 51.55 1wcq s ASP 196 Cb 0.18 -1.80 1.84 0.00 -1.46 0.00 0.00 42.92 41.68 1wcq s ASP 196 CO 0.56 -0.22 2.12 -0.65 0.52 0.00 0.00 175.17 177.50 1wcq h PRO 197 N 8.14 0.00 0.00 4.34 0.11 -2.03 0.17 132.00 142.73 1wcq h PRO 197 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1wcq h PRO 197 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wcq h PRO 197 CO 0.58 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 1wcq n GLY 198 N -1.29 -0.95 3.48 -0.55 0.00 -1.26 -4.56 105.19 100.06 1wcq n GLY 198 Ca -0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1wcq n GLY 198 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wcq s TRP 199 N -2.13 2.58 -1.54 1.61 0.52 0.60 -2.13 118.94 118.45 1wcq s TRP 199 Ca 0.39 -0.44 0.27 0.00 0.02 0.00 0.00 56.10 56.34 1wcq s TRP 199 Cb 0.19 -4.38 0.87 0.00 -1.15 0.00 0.00 33.47 29.01 1wcq s TRP 199 CO 0.35 -1.75 1.64 2.89 0.02 0.00 0.00 176.95 180.10 1wcq n ARG 200 N 8.11 0.59 -3.54 4.98 1.85 -0.75 -4.72 116.66 123.18 1wcq n ARG 200 Ca -0.02 -0.30 -0.17 0.00 -1.00 0.00 0.00 57.85 56.36 1wcq n ARG 200 Cb 0.46 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.32 1wcq n ARG 200 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1wcq s SER 201 N -2.62 -0.66 -0.06 2.89 0.15 -1.25 -3.42 113.70 108.73 1wcq s SER 201 Ca 0.23 0.82 -0.30 0.00 0.70 0.00 0.00 55.95 57.39 1wcq s SER 201 Cb 0.19 0.67 0.08 0.00 -1.71 0.00 0.00 66.02 65.25 1wcq s SER 201 CO 0.54 -0.55 0.75 0.00 1.20 0.00 0.00 173.24 175.18 1wcq s ARG 202 N -0.95 0.96 -0.00 5.44 3.03 -1.26 -1.32 118.95 124.85 1wcq s ARG 202 Ca -0.09 0.15 -0.12 0.00 2.03 0.00 0.00 55.73 57.70 1wcq s ARG 202 Cb -0.01 0.45 0.01 0.00 -1.03 0.00 0.00 34.95 34.38 1wcq s ARG 202 CO 0.08 -0.32 0.24 -0.59 -1.13 0.00 0.00 175.30 173.58 1wcq s PHE 203 N -1.46 -0.08 0.21 5.89 -0.12 -0.75 -4.77 117.98 116.90 1wcq s PHE 203 Ca -0.07 0.08 -0.30 0.00 -0.05 0.00 0.00 56.93 56.59 1wcq s PHE 203 Cb -0.00 0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.33 1wcq s PHE 203 CO 0.05 -0.35 1.33 0.00 -0.05 0.00 0.00 175.22 176.21 1wcq s ALA 204 N -1.41 3.54 -0.03 1.99 0.00 -1.26 -1.48 121.76 123.12 1wcq s ALA 204 Ca -0.14 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1wcq s ALA 204 Cb -0.06 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1wcq s ALA 204 CO 0.03 -0.58 1.42 0.00 0.00 0.00 0.00 175.76 176.64 1wcq s ALA 205 N 0.07 3.60 0.54 0.00 0.00 -0.38 -4.91 121.76 120.68 1wcq s ALA 205 Ca 0.57 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 1wcq s ALA 205 Cb -0.38 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.06 1wcq s ALA 205 CO 0.39 -1.03 1.08 -1.54 0.00 0.00 0.00 175.76 174.66 1wcq s SER 206 N 2.14 5.94 0.00 0.00 1.04 -1.26 -4.64 113.70 116.92 1wcq s SER 206 Ca 0.64 1.99 0.00 0.00 0.48 0.00 0.00 55.95 59.06 1wcq s SER 206 Cb -0.30 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.26 1wcq s SER 206 CO 0.25 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1wcq n GLY 207 N -0.28 1.02 3.34 7.32 0.00 -0.33 -4.92 105.19 111.35 1wcq n GLY 207 Ca 0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1wcq n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wcq s GLU 208 N 0.00 0.45 0.49 1.61 2.12 -1.26 -2.15 118.70 119.95 1wcq s GLU 208 Ca 0.00 0.90 -0.06 0.00 0.36 0.00 0.00 54.97 56.17 1wcq s GLU 208 Cb 0.00 0.05 0.11 0.00 0.26 0.00 0.00 34.13 34.55 1wcq s GLU 208 CO 0.00 -0.17 0.67 0.41 -0.54 0.00 0.00 175.26 175.64 1wcq n GLY 209 N 4.40 -0.63 3.25 -1.50 0.00 0.91 -4.90 105.19 106.71 1wcq n GLY 209 Ca -0.21 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 1wcq n GLY 209 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wcq s ILE 210 N -2.26 1.01 -0.12 -0.61 -4.36 -0.77 -4.71 121.20 109.38 1wcq s ILE 210 Ca 0.40 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.77 1wcq s ILE 210 Cb -0.01 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 1wcq s ILE 210 CO 0.27 -0.68 -0.14 -1.58 0.24 0.00 0.00 174.94 173.05 1wcq s GLN 211 N -3.80 3.29 0.23 0.37 0.74 -1.26 -0.97 119.66 118.26 1wcq s GLN 211 Ca 0.18 -0.71 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 1wcq s GLN 211 Cb 0.04 -2.58 -0.09 0.00 1.10 0.00 0.00 33.01 31.48 1wcq s GLN 211 CO 0.01 0.24 1.28 -0.51 -0.55 0.00 0.00 175.29 175.76 1wcq s LEU 212 N 0.27 4.43 -0.02 3.68 1.43 0.05 -4.88 118.68 123.64 1wcq s LEU 212 Ca -0.10 2.43 0.19 0.00 -1.03 0.00 0.00 54.13 55.62 1wcq s LEU 212 Cb -0.16 -3.62 -0.26 0.00 0.03 0.00 0.00 46.19 42.18 1wcq s LEU 212 CO 0.06 -0.48 0.51 0.54 0.23 0.00 0.00 176.35 177.20 1wcq n ARG 213 N 2.15 0.69 -4.40 1.70 5.12 -1.26 0.55 116.66 121.20 1wcq n ARG 213 Ca 0.04 -0.12 -0.24 0.00 -1.93 0.00 0.00 57.85 55.60 1wcq n ARG 213 Cb 0.43 -1.42 -0.09 0.00 -1.16 0.00 0.00 32.46 30.21 1wcq n ARG 213 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1wcq s TYR 214 N -3.14 2.43 0.00 -1.55 2.02 -1.26 -4.82 117.35 111.03 1wcq s TYR 214 Ca -0.03 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1wcq s TYR 214 Cb 0.12 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1wcq s TYR 214 CO 0.77 0.65 0.00 0.41 -1.57 0.00 0.00 175.55 175.81 1wcq n GLY 215 N -0.55 -2.43 0.30 0.71 0.00 -1.26 -3.22 105.19 98.75 1wcq n GLY 215 Ca -0.07 -1.60 0.17 0.00 0.00 0.00 0.00 46.02 44.52 1wcq n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wcq h PRO 216 N 0.00 0.00 -0.49 1.61 0.13 -1.99 -2.71 132.00 128.55 1wcq h PRO 216 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wcq h PRO 216 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wcq h PRO 216 CO 0.00 0.03 0.00 0.72 -0.23 0.00 0.00 178.00 178.52 1wcq n HIS 217 N -3.55 1.28 -1.58 1.56 8.25 -1.26 -5.01 115.22 114.92 1wcq n HIS 217 Ca -0.03 -0.68 -0.53 0.00 -0.26 0.00 0.00 57.72 56.22 1wcq n HIS 217 Cb 0.12 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 1wcq n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wcq n ALA 218 N 0.52 -1.35 0.00 -1.41 0.00 -1.02 -0.72 120.51 116.53 1wcq n ALA 218 Ca 0.23 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1wcq n ALA 218 Cb 0.87 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1wcq n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 219 N 2.33 1.65 3.69 0.00 0.00 0.19 -4.98 105.19 108.08 1wcq n GLY 219 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1wcq n GLY 219 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wcq n ARG 220 N -2.00 2.23 -3.49 1.61 0.63 0.10 -4.68 116.66 111.07 1wcq n ARG 220 Ca 0.00 0.79 -0.37 0.00 -0.92 0.00 0.00 57.85 57.35 1wcq n ARG 220 Cb 0.00 -2.49 -0.06 0.00 0.45 0.00 0.00 32.46 30.36 1wcq n ARG 220 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wcq s LEU 221 N -0.09 4.32 -0.10 6.15 1.43 -0.49 -0.77 118.68 129.13 1wcq s LEU 221 Ca 0.67 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 1wcq s LEU 221 Cb -0.60 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.14 1wcq s LEU 221 CO 0.50 0.15 -0.10 -0.63 0.23 0.00 0.00 176.35 176.50 1wcq s ILE 222 N -0.00 1.17 -0.13 -0.59 1.01 -0.14 -1.79 121.20 120.72 1wcq s ILE 222 Ca 0.21 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1wcq s ILE 222 Cb -0.14 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 1wcq s ILE 222 CO 0.08 0.38 -0.19 -1.58 0.00 0.00 0.00 174.94 173.63 1wcq s GLN 223 N 1.32 3.15 0.31 2.79 2.00 0.77 -1.85 119.66 128.15 1wcq s GLN 223 Ca -0.01 -0.80 -0.27 0.00 -2.00 0.00 0.00 55.36 52.27 1wcq s GLN 223 Cb -0.14 -2.49 -0.10 0.00 0.80 0.00 0.00 33.01 31.09 1wcq s GLN 223 CO -0.05 0.09 0.98 -0.65 -0.50 0.00 0.00 175.29 175.16 1wcq s GLN 224 N 0.60 4.58 0.13 1.67 -1.52 -1.26 -1.25 119.66 122.61 1wcq s GLN 224 Ca -0.11 1.44 0.04 0.00 -1.95 0.00 0.00 55.36 54.78 1wcq s GLN 224 Cb -0.16 -2.90 -0.04 0.00 -0.22 0.00 0.00 33.01 29.68 1wcq s GLN 224 CO 0.03 0.26 -0.09 0.71 -0.25 0.00 0.00 175.29 175.95 1wcq s TYR 225 N -1.48 1.14 0.03 0.91 1.51 0.08 -1.25 117.35 118.28 1wcq s TYR 225 Ca 0.49 -0.81 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1wcq s TYR 225 Cb -0.22 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1wcq s TYR 225 CO 0.28 0.00 -0.12 0.99 -1.11 0.00 0.00 175.55 175.59 1wcq s THR 226 N -3.40 3.23 0.17 -0.71 2.01 -0.55 -1.95 115.64 114.45 1wcq s THR 226 Ca 0.15 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.20 1wcq s THR 226 Cb 0.03 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 1wcq s THR 226 CO -0.01 0.35 -0.12 0.27 -0.69 0.00 0.00 174.62 174.42 1wcq s ILE 227 N -0.98 1.38 -0.23 1.82 -5.25 0.12 -1.81 121.20 116.24 1wcq s ILE 227 Ca 0.16 -2.12 -0.03 0.00 -0.99 0.00 0.00 60.65 57.68 1wcq s ILE 227 Cb -0.11 -1.93 0.01 0.00 2.95 0.00 0.00 42.46 43.38 1wcq s ILE 227 CO 0.07 -0.68 -0.05 -0.63 -1.79 0.00 0.00 174.94 171.85 1wcq s ILE 228 N -3.20 3.15 0.49 8.37 1.01 -0.43 -1.72 121.20 128.88 1wcq s ILE 228 Ca 0.19 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 1wcq s ILE 228 Cb 0.01 -2.50 0.11 0.00 0.01 0.00 0.00 42.46 40.10 1wcq s ILE 228 CO 0.03 0.33 0.67 -0.46 0.00 0.00 0.00 174.94 175.51 1wcq n ASN 229 N 4.75 0.06 0.24 3.58 0.23 -0.49 -1.81 115.26 121.82 1wcq n ASN 229 Ca -0.18 -1.25 0.13 0.00 -0.53 0.00 0.00 54.58 52.76 1wcq n ASN 229 Cb 0.49 -0.51 0.36 0.00 -2.08 0.00 0.00 39.78 38.04 1wcq n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wcq h ALA 230 N -1.87 0.99 0.00 -2.53 0.00 -1.77 -1.89 119.26 112.18 1wcq h ALA 230 Ca -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1wcq h ALA 230 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wcq h ALA 230 CO 0.15 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1wcq n ALA 231 N -2.11 2.53 -1.07 0.00 0.00 -1.26 -4.91 120.51 113.68 1wcq n ALA 231 Ca 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1wcq n ALA 231 Cb 0.45 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 1wcq n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 232 N 1.16 0.57 3.80 0.00 0.00 -0.71 -5.05 105.19 104.95 1wcq n GLY 232 Ca 0.17 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1wcq n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcq s ALA 233 N -1.95 3.07 -0.18 4.61 0.00 -1.26 -4.78 121.76 121.27 1wcq s ALA 233 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 1wcq s ALA 233 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1wcq s ALA 233 CO 0.00 0.00 0.45 -0.06 0.00 0.00 0.00 175.76 176.15 1wcq s PHE 234 N -1.89 3.41 0.15 0.00 0.40 -1.26 -1.39 117.98 117.41 1wcq s PHE 234 Ca 0.59 0.73 0.07 0.00 -0.60 0.00 0.00 56.93 57.72 1wcq s PHE 234 Cb -0.15 -2.56 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 1wcq s PHE 234 CO 0.20 0.03 -0.16 -0.65 0.70 0.00 0.00 175.22 175.34 1wcq s GLN 235 N 1.17 1.18 0.09 0.44 -0.21 -0.70 -1.94 119.66 119.69 1wcq s GLN 235 Ca 0.22 -1.37 -0.01 0.00 0.02 0.00 0.00 55.36 54.22 1wcq s GLN 235 Cb -0.15 -1.12 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 1wcq s GLN 235 CO 0.09 0.22 0.26 0.00 -2.12 0.00 0.00 175.29 173.73 1wcq s ALA 236 N -2.25 3.95 -0.15 6.09 0.00 -0.58 -0.71 121.76 128.11 1wcq s ALA 236 Ca 0.14 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 1wcq s ALA 236 Cb -0.04 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.21 1wcq s ALA 236 CO 0.05 0.78 0.54 0.54 0.00 0.00 0.00 175.76 177.67 1wcq s VAL 237 N -1.56 0.01 -0.00 0.00 0.11 -0.82 0.49 120.40 118.62 1wcq s VAL 237 Ca 0.37 -0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.16 1wcq s VAL 237 Cb -0.13 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 33.88 1wcq s VAL 237 CO 0.27 -0.04 0.55 -0.44 -3.33 0.00 0.00 175.10 172.11 1wcq s SER 238 N -0.19 6.93 -0.11 3.54 0.01 -1.26 -0.74 113.70 121.87 1wcq s SER 238 Ca -0.04 1.11 0.01 0.00 1.31 0.00 0.00 55.95 58.34 1wcq s SER 238 Cb -0.03 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 1wcq s SER 238 CO 0.03 0.15 -0.13 -0.69 0.41 0.00 0.00 173.24 173.01 1wcq s VAL 239 N -0.38 3.08 0.05 3.43 1.01 -0.38 -0.83 120.40 126.37 1wcq s VAL 239 Ca 0.29 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1wcq s VAL 239 Cb -0.18 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1wcq s VAL 239 CO 0.16 0.54 0.23 -0.72 0.00 0.00 0.00 175.10 175.31 1wcq s TYR 240 N 0.12 0.02 -0.03 5.22 -0.85 0.05 -0.16 117.35 121.71 1wcq s TYR 240 Ca -0.06 -0.23 0.05 0.00 -0.52 0.00 0.00 57.07 56.30 1wcq s TYR 240 Cb -0.15 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 1wcq s TYR 240 CO 0.05 -0.46 -0.16 0.45 -1.52 0.00 0.00 175.55 173.90 1wcq s SER 241 N -2.15 2.01 0.00 -0.18 0.15 -0.74 -1.37 113.70 111.43 1wcq s SER 241 Ca -0.04 -0.32 0.07 0.00 0.70 0.00 0.00 55.95 56.36 1wcq s SER 241 Cb -0.00 -0.42 0.18 0.00 -1.71 0.00 0.00 66.02 64.07 1wcq s SER 241 CO -0.04 0.17 1.10 0.47 1.20 0.00 0.00 173.24 176.13 1wcq n ASP 242 N 2.96 2.46 -2.33 5.45 8.00 -1.26 -1.39 116.55 130.43 1wcq n ASP 242 Ca -0.17 -1.87 -0.17 0.00 0.71 0.00 0.00 54.79 53.29 1wcq n ASP 242 Cb 0.54 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1wcq n ASP 242 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1wcq n ASP 243 N 0.25 3.81 -2.07 -2.24 5.68 -1.26 -4.96 116.55 115.77 1wcq n ASP 243 Ca 0.07 -3.23 -0.18 0.00 -0.50 0.00 0.00 54.79 50.95 1wcq n ASP 243 Cb 0.34 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 39.90 1wcq n ASP 243 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1wcq n HIS 244 N -0.61 -0.82 -0.01 2.11 8.25 -1.26 -2.50 115.22 120.37 1wcq n HIS 244 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1wcq n HIS 244 Cb 0.88 -3.61 0.00 0.00 1.12 0.00 0.00 29.99 28.38 1wcq n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wcq n GLY 245 N -1.00 0.17 0.12 -1.41 0.00 -1.26 -4.97 105.19 96.85 1wcq n GLY 245 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1wcq n GLY 245 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wcq h ARG 246 N 4.06 0.28 -5.54 1.61 3.08 -1.92 -3.44 114.38 112.52 1wcq h ARG 246 Ca 0.00 -0.02 -0.44 0.00 0.07 0.00 0.00 59.98 59.59 1wcq h ARG 246 Cb 0.00 -0.06 -0.20 0.00 0.08 0.00 0.00 29.97 29.79 1wcq h ARG 246 CO 0.00 0.18 -0.78 0.95 -1.07 0.00 0.00 179.97 179.26 1wcq s THR 247 N -6.17 1.34 0.05 2.04 -4.23 -1.26 -5.11 115.64 102.30 1wcq s THR 247 Ca -0.13 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1wcq s THR 247 Cb 0.09 -1.39 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 1wcq s THR 247 CO 0.70 -0.29 -0.09 0.26 -0.54 0.00 0.00 174.62 174.66 1wcq s TRP 248 N -1.69 0.76 0.12 3.99 0.52 -1.26 -4.37 118.94 117.02 1wcq s TRP 248 Ca 0.05 -0.50 -0.06 0.00 0.02 0.00 0.00 56.10 55.61 1wcq s TRP 248 Cb -0.07 -0.45 -0.02 0.00 -1.15 0.00 0.00 33.47 31.78 1wcq s TRP 248 CO 0.03 -0.06 0.17 -0.98 0.02 0.00 0.00 176.95 176.13 1wcq s ARG 249 N -1.66 0.96 0.08 4.98 1.70 -0.47 -4.55 118.95 119.99 1wcq s ARG 249 Ca -0.08 -1.19 -0.10 0.00 -0.47 0.00 0.00 55.73 53.88 1wcq s ARG 249 Cb -0.10 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.54 1wcq s ARG 249 CO 0.01 -0.31 0.41 0.00 -1.08 0.00 0.00 175.30 174.33 1wcq s ALA 250 N -3.96 3.71 0.36 7.88 0.00 -1.26 -0.77 121.76 127.72 1wcq s ALA 250 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1wcq s ALA 250 Cb 0.05 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1wcq s ALA 250 CO -0.03 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1wcq n GLY 251 N 0.90 1.47 3.75 0.00 0.00 -0.01 -4.98 105.19 106.32 1wcq n GLY 251 Ca -0.08 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1wcq n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wcq s GLU 252 N 2.35 4.37 0.54 1.61 2.02 0.13 -4.89 118.70 124.83 1wcq s GLU 252 Ca 0.00 0.79 -0.20 0.00 0.02 0.00 0.00 54.97 55.58 1wcq s GLU 252 Cb 0.00 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 1wcq s GLU 252 CO 0.00 0.29 1.17 0.00 0.02 0.00 0.00 175.26 176.74 1wcq s ALA 253 N 0.05 2.70 -0.00 5.21 0.00 -1.26 -4.66 121.76 123.80 1wcq s ALA 253 Ca 0.33 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1wcq s ALA 253 Cb -0.18 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1wcq s ALA 253 CO 0.18 -0.90 -0.07 0.54 0.00 0.00 0.00 175.76 175.50 1wcq s VAL 254 N -1.65 0.56 0.00 0.00 0.11 0.18 -4.95 120.40 114.64 1wcq s VAL 254 Ca 0.73 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1wcq s VAL 254 Cb -0.28 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1wcq s VAL 254 CO 0.31 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 1wcq n GLY 255 N 2.78 -1.40 3.32 6.54 0.00 -1.26 -1.53 105.19 113.64 1wcq n GLY 255 Ca -0.14 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 1wcq n GLY 255 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wcq s VAL 256 N -1.87 1.36 -1.56 1.61 -7.23 -1.26 -4.56 120.40 106.89 1wcq s VAL 256 Ca 0.00 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1wcq s VAL 256 Cb 0.00 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.84 1wcq s VAL 256 CO 0.00 -0.54 0.48 0.61 -0.31 0.00 0.00 175.10 175.34 1wcq n GLY 257 N -0.35 -0.48 3.98 2.32 0.00 -1.10 -4.97 105.19 104.59 1wcq n GLY 257 Ca -0.08 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1wcq n GLY 257 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wcq s MET 258 N -5.54 1.81 0.00 1.61 1.00 -0.82 -1.97 119.30 115.40 1wcq s MET 258 Ca 0.24 -0.92 0.00 0.00 0.00 0.00 0.00 55.69 55.01 1wcq s MET 258 Cb -0.10 -2.31 0.00 0.00 0.00 0.00 0.00 34.83 32.42 1wcq s MET 258 CO 0.29 -1.36 0.00 -3.47 0.00 0.00 0.00 175.02 170.48 1wcq n ASP 259 N -2.82 0.00 -3.49 3.03 -0.08 -1.10 -4.06 116.55 108.03 1wcq n ASP 259 Ca 0.13 -0.69 -0.50 0.00 -1.51 0.00 0.00 54.79 52.22 1wcq n ASP 259 Cb 0.60 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.99 1wcq n ASP 259 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wcq n GLU 260 N 0.00 0.00 -4.22 -0.67 1.02 -1.26 -4.48 120.64 111.04 1wcq n GLU 260 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1wcq n GLU 260 Cb 0.00 -1.10 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 1wcq n GLU 260 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wcq s ASN 261 N 2.17 1.17 0.05 1.62 4.22 -1.26 -1.72 114.94 121.18 1wcq s ASN 261 Ca 0.77 -1.12 0.02 0.00 -2.14 0.00 0.00 52.86 50.38 1wcq s ASN 261 Cb -1.10 0.12 -0.03 0.00 1.28 0.00 0.00 41.25 41.52 1wcq s ASN 261 CO 0.60 -0.54 -0.07 -0.54 -2.04 0.00 0.00 177.10 174.51 1wcq s LYS 262 N -3.89 0.54 0.11 3.55 -0.14 -0.16 -4.70 119.74 115.04 1wcq s LYS 262 Ca 0.20 -0.82 0.07 0.00 -1.36 0.00 0.00 55.97 54.07 1wcq s LYS 262 Cb 0.06 -0.21 -0.04 0.00 -1.68 0.00 0.00 37.83 35.96 1wcq s LYS 262 CO 0.01 0.02 -0.18 0.95 -0.76 0.00 0.00 175.35 175.39 1wcq s THR 263 N -1.72 1.59 -0.02 2.17 -4.23 -1.26 -0.09 115.64 112.08 1wcq s THR 263 Ca -0.08 -1.60 -0.08 0.00 -1.18 0.00 0.00 61.69 58.75 1wcq s THR 263 Cb -0.08 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 72.24 1wcq s THR 263 CO -0.01 -0.18 0.18 0.54 -0.54 0.00 0.00 174.62 174.61 1wcq s VAL 264 N -1.48 0.06 -0.15 2.29 0.11 -0.95 -4.81 120.40 115.47 1wcq s VAL 264 Ca 0.07 -0.46 -0.19 0.00 -2.93 0.00 0.00 61.98 58.47 1wcq s VAL 264 Cb -0.08 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1wcq s VAL 264 CO 0.04 -0.26 0.51 -0.70 -3.33 0.00 0.00 175.10 171.36 1wcq s GLU 265 N -0.95 4.28 0.62 1.54 2.12 -1.26 -1.25 118.70 123.81 1wcq s GLU 265 Ca -0.10 0.46 -0.08 0.00 0.36 0.00 0.00 54.97 55.61 1wcq s GLU 265 Cb -0.06 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1wcq s GLU 265 CO 0.02 0.02 0.96 -0.51 -0.54 0.00 0.00 175.26 175.21 1wcq s LEU 266 N 1.06 3.14 0.60 2.70 1.43 0.14 -4.90 118.68 122.86 1wcq s LEU 266 Ca 0.26 0.87 0.28 0.00 -1.03 0.00 0.00 54.13 54.50 1wcq s LEU 266 Cb -0.15 -3.69 1.36 0.00 0.03 0.00 0.00 46.19 43.73 1wcq s LEU 266 CO 0.10 -1.13 1.77 0.77 0.23 0.00 0.00 176.35 178.09 1wcq h SER 267 N -0.32 0.00 -0.34 2.29 4.64 -1.88 0.54 113.55 118.48 1wcq h SER 267 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1wcq h SER 267 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wcq h SER 267 CO 0.62 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1wcq n ASP 268 N -3.49 3.01 0.00 4.97 5.75 -1.26 -0.68 116.55 124.85 1wcq n ASP 268 Ca 0.10 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1wcq n ASP 268 Cb 0.80 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1wcq n ASP 268 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wcq n GLY 269 N 0.97 1.03 3.73 6.12 0.00 0.18 -5.03 105.19 112.19 1wcq n GLY 269 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1wcq n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 270 N -0.57 2.27 -0.27 1.61 0.52 -1.26 -4.73 118.95 116.52 1wcq s ARG 270 Ca 0.00 1.66 -0.03 0.00 -0.52 0.00 0.00 55.73 56.84 1wcq s ARG 270 Cb 0.00 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.63 1wcq s ARG 270 CO 0.00 -1.71 -0.01 0.08 0.02 0.00 0.00 175.30 173.68 1wcq s VAL 271 N -2.10 3.21 -0.08 3.52 1.01 -0.11 -0.68 120.40 125.18 1wcq s VAL 271 Ca 0.72 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1wcq s VAL 271 Cb -0.27 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1wcq s VAL 271 CO 0.45 0.13 0.52 -0.22 0.00 0.00 0.00 175.10 175.98 1wcq s LEU 272 N 1.37 4.33 -0.12 3.92 2.96 -0.38 -0.60 118.68 130.16 1wcq s LEU 272 Ca 0.00 0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1wcq s LEU 272 Cb -0.17 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 1wcq s LEU 272 CO -0.02 0.04 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.81 1wcq s LEU 273 N 0.30 3.40 -0.07 -0.68 0.20 0.29 -2.23 118.68 119.90 1wcq s LEU 273 Ca 0.28 -0.00 -0.01 0.00 0.69 0.00 0.00 54.13 55.09 1wcq s LEU 273 Cb -0.16 -1.80 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1wcq s LEU 273 CO 0.13 0.27 0.01 0.21 -0.29 0.00 0.00 176.35 176.68 1wcq s ASN 274 N -0.24 1.56 0.06 3.68 3.84 0.88 -2.38 114.94 122.35 1wcq s ASN 274 Ca 0.05 -0.08 0.05 0.00 0.21 0.00 0.00 52.86 53.09 1wcq s ASN 274 Cb -0.13 -0.42 -0.03 0.00 -0.55 0.00 0.00 41.25 40.13 1wcq s ASN 274 CO 0.02 -0.20 -0.15 -0.55 -2.79 0.00 0.00 177.10 173.44 1wcq s SER 275 N 1.99 1.74 0.35 -4.21 0.15 0.99 -0.99 113.70 113.71 1wcq s SER 275 Ca 0.05 -0.58 -0.28 0.00 0.70 0.00 0.00 55.95 55.84 1wcq s SER 275 Cb -0.12 -0.07 -0.10 0.00 -1.71 0.00 0.00 66.02 64.02 1wcq s SER 275 CO -0.05 -0.04 1.31 -0.60 1.20 0.00 0.00 173.24 175.06 1wcq s ARG 276 N -1.58 4.26 -0.46 5.44 3.52 -0.70 0.02 118.95 129.44 1wcq s ARG 276 Ca -0.00 2.21 -0.14 0.00 -0.13 0.00 0.00 55.73 57.67 1wcq s ARG 276 Cb -0.09 -2.99 0.08 0.00 -1.56 0.00 0.00 34.95 30.39 1wcq s ARG 276 CO 0.02 -0.27 0.37 0.34 -0.81 0.00 0.00 175.30 174.95 1wcq s ASP 277 N -0.54 6.01 0.29 -2.12 2.15 -1.26 -2.73 116.67 118.47 1wcq s ASP 277 Ca 0.51 -1.43 0.24 0.00 0.43 0.00 0.00 52.55 52.30 1wcq s ASP 277 Cb -0.39 -2.13 1.06 0.00 -0.30 0.00 0.00 42.92 41.15 1wcq s ASP 277 CO 0.52 -0.64 1.72 0.77 -0.17 0.00 0.00 175.17 177.37 1wcq h SER 278 N 8.67 0.00 -0.17 -0.34 4.64 -1.54 -0.03 113.55 124.78 1wcq h SER 278 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1wcq h SER 278 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1wcq h SER 278 CO 0.86 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.82 1wcq n ALA 279 N -1.79 2.51 -3.39 5.18 0.00 -1.24 -4.97 120.51 116.81 1wcq n ALA 279 Ca 0.01 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 52.85 1wcq n ALA 279 Cb 0.19 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 18.64 1wcq n ALA 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wcq n ARG 280 N 0.12 -6.49 0.26 0.00 1.74 -0.02 -4.92 116.66 107.34 1wcq n ARG 280 Ca 0.13 0.81 0.16 0.00 -0.77 0.00 0.00 57.85 58.17 1wcq n ARG 280 Cb 0.25 -5.71 0.53 0.00 -1.02 0.00 0.00 32.46 26.51 1wcq n ARG 280 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1wcq h SER 281 N -1.92 0.00 0.00 0.55 4.64 -1.91 -3.46 113.55 111.45 1wcq h SER 281 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1wcq h SER 281 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1wcq h SER 281 CO 0.48 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 1wcq n GLY 282 N 0.37 0.79 3.23 -0.77 0.00 -1.26 -4.77 105.19 102.78 1wcq n GLY 282 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1wcq n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wcq s TYR 283 N -2.00 1.37 0.44 1.61 2.02 -1.19 -0.52 117.35 119.07 1wcq s TYR 283 Ca 0.00 -1.48 -0.21 0.00 -0.37 0.00 0.00 57.07 55.01 1wcq s TYR 283 Cb 0.00 -0.61 -0.10 0.00 -0.40 0.00 0.00 41.96 40.85 1wcq s TYR 283 CO 0.00 -0.72 0.99 1.03 -1.57 0.00 0.00 175.55 175.28 1wcq s ARG 284 N -3.91 4.10 0.02 -0.62 1.81 -0.68 -4.18 118.95 115.49 1wcq s ARG 284 Ca 0.40 1.26 0.00 0.00 -1.72 0.00 0.00 55.73 55.66 1wcq s ARG 284 Cb 0.05 -2.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.28 1wcq s ARG 284 CO 0.17 -0.15 0.11 0.15 -0.68 0.00 0.00 175.30 174.90 1wcq s LYS 285 N -3.04 3.12 0.04 3.54 1.02 0.10 -0.51 119.74 124.00 1wcq s LYS 285 Ca 0.62 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 56.12 1wcq s LYS 285 Cb -0.13 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1wcq s LYS 285 CO 0.18 0.63 -0.05 0.14 -0.92 0.00 0.00 175.35 175.32 1wcq s VAL 286 N -1.30 0.34 0.17 3.17 -7.23 0.02 -0.01 120.40 115.56 1wcq s VAL 286 Ca 0.26 -1.08 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 1wcq s VAL 286 Cb -0.12 -0.55 0.05 0.00 0.56 0.00 0.00 36.38 36.32 1wcq s VAL 286 CO 0.18 -0.49 0.53 0.00 -0.31 0.00 0.00 175.10 175.01 1wcq s ALA 287 N -1.65 -1.21 0.01 1.32 0.00 -1.00 -1.07 121.76 118.16 1wcq s ALA 287 Ca -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1wcq s ALA 287 Cb -0.08 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1wcq s ALA 287 CO -0.01 -0.76 0.02 0.54 0.00 0.00 0.00 175.76 175.55 1wcq s VAL 288 N -3.81 0.07 0.01 0.00 0.11 -1.26 -0.54 120.40 114.98 1wcq s VAL 288 Ca 0.04 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1wcq s VAL 288 Cb -0.00 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1wcq s VAL 288 CO -0.09 -0.33 -0.10 -0.55 -3.33 0.00 0.00 175.10 170.70 1wcq s SER 289 N -0.99 4.37 -0.05 3.54 0.15 0.23 -0.55 113.70 120.40 1wcq s SER 289 Ca -0.11 -0.22 0.10 0.00 0.70 0.00 0.00 55.95 56.43 1wcq s SER 289 Cb -0.07 -0.95 0.28 0.00 -1.71 0.00 0.00 66.02 63.58 1wcq s SER 289 CO -0.00 0.28 1.22 0.35 1.20 0.00 0.00 173.24 176.29 1wcq n THR 290 N 1.62 1.33 -2.13 6.45 -2.24 -1.26 -0.93 114.28 117.11 1wcq n THR 290 Ca -0.16 -1.28 -0.00 0.00 -2.27 0.00 0.00 64.05 60.34 1wcq n THR 290 Cb 0.52 0.29 0.10 0.00 -2.10 0.00 0.00 70.33 69.14 1wcq n THR 290 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wcq n ASP 291 N -0.08 1.96 -1.29 3.42 5.68 -1.26 -4.99 116.55 119.98 1wcq n ASP 291 Ca 0.11 -3.00 -0.12 0.00 -0.50 0.00 0.00 54.79 51.29 1wcq n ASP 291 Cb 0.50 -0.42 -0.01 0.00 -1.14 0.00 0.00 41.12 40.05 1wcq n ASP 291 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcq n GLY 292 N -0.45 -0.00 0.35 6.12 0.00 -1.26 -3.49 105.19 106.46 1wcq n GLY 292 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1wcq n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 293 N -1.05 0.36 0.07 -0.02 0.00 -1.26 -4.96 105.19 98.33 1wcq n GLY 293 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1wcq n GLY 293 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1wcq h HIS 294 N 0.00 0.10 -3.94 1.61 -0.00 -1.92 -3.40 115.15 107.60 1wcq h HIS 294 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 1wcq h HIS 294 Cb 0.00 -0.03 -0.17 0.00 -0.00 0.00 0.00 27.41 27.21 1wcq h HIS 294 CO 0.00 0.14 -0.57 -1.54 -0.00 0.00 0.00 177.93 175.96 1wcq s SER 295 N -5.34 0.26 0.17 3.26 1.04 -1.26 0.17 113.70 111.99 1wcq s SER 295 Ca -0.13 -0.67 0.10 0.00 0.48 0.00 0.00 55.95 55.73 1wcq s SER 295 Cb 0.06 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1wcq s SER 295 CO 0.68 -0.53 -0.22 -0.31 0.98 0.00 0.00 173.24 173.83 1wcq s TYR 296 N -2.96 2.07 0.00 5.02 2.02 -1.26 -4.33 117.35 117.90 1wcq s TYR 296 Ca -0.02 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1wcq s TYR 296 Cb 0.01 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 1wcq s TYR 296 CO -0.06 0.39 0.00 0.41 -1.57 0.00 0.00 175.55 174.71 1wcq n GLY 297 N 0.45 -1.77 3.76 0.71 0.00 0.29 -4.94 105.19 103.69 1wcq n GLY 297 Ca -0.14 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1wcq n GLY 297 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wcq s PRO 298 N -1.98 3.33 -0.01 1.61 0.02 -1.26 -4.65 135.00 132.05 1wcq s PRO 298 Ca 0.00 1.83 -0.24 0.00 0.02 0.00 0.00 61.00 62.61 1wcq s PRO 298 Cb 0.00 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1wcq s PRO 298 CO 0.00 -0.92 0.74 0.08 -0.33 0.00 0.00 177.00 176.56 1wcq s VAL 299 N -1.57 4.90 0.16 3.83 1.01 -1.26 -4.49 120.40 122.99 1wcq s VAL 299 Ca 0.71 1.54 0.08 0.00 0.00 0.00 0.00 61.98 64.31 1wcq s VAL 299 Cb -0.30 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1wcq s VAL 299 CO 0.35 0.30 -0.17 0.42 0.00 0.00 0.00 175.10 176.00 1wcq s THR 300 N 0.41 1.68 -0.05 3.92 -4.23 -0.23 -4.94 115.64 112.20 1wcq s THR 300 Ca 0.38 -1.89 -0.27 0.00 -1.18 0.00 0.00 61.69 58.73 1wcq s THR 300 Cb -0.19 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 1wcq s THR 300 CO 0.21 -0.36 0.88 -0.63 -0.54 0.00 0.00 174.62 174.17 1wcq s ILE 301 N -2.15 4.92 -0.52 2.99 1.09 -1.26 -0.80 121.20 125.47 1wcq s ILE 301 Ca 0.14 1.82 -0.14 0.00 -1.10 0.00 0.00 60.65 61.37 1wcq s ILE 301 Cb -0.05 -4.21 0.13 0.00 -1.06 0.00 0.00 42.46 37.26 1wcq s ILE 301 CO 0.06 0.16 0.46 -0.62 -0.10 0.00 0.00 174.94 174.90 1wcq s ASP 302 N 0.97 6.08 0.00 3.58 -1.08 0.33 -4.92 116.67 121.63 1wcq s ASP 302 Ca 0.46 -1.82 0.25 0.00 -0.52 0.00 0.00 52.55 50.92 1wcq s ASP 302 Cb -0.19 -2.16 1.30 0.00 -1.46 0.00 0.00 42.92 40.41 1wcq s ASP 302 CO 0.22 -0.82 1.83 0.54 0.52 0.00 0.00 175.17 177.46 1wcq n ARG 303 N 5.17 0.47 0.15 4.34 1.74 -1.26 -1.84 116.66 125.43 1wcq n ARG 303 Ca -0.13 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.13 1wcq n ARG 303 Cb 0.40 -1.50 0.48 0.00 -1.02 0.00 0.00 32.46 30.83 1wcq n ARG 303 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1wcq h ASP 304 N 0.00 0.00 -3.73 0.55 3.32 -1.96 -3.40 116.42 111.20 1wcq h ASP 304 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1wcq h ASP 304 Cb 0.17 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.30 1wcq h ASP 304 CO 0.00 0.00 -0.63 -0.76 -1.72 0.00 0.00 179.24 176.13 1wcq s LEU 305 N -4.86 4.26 0.42 1.55 1.43 -0.76 -5.06 118.68 115.66 1wcq s LEU 305 Ca 0.05 -3.31 -0.26 0.00 -1.03 0.00 0.00 54.13 49.59 1wcq s LEU 305 Cb 0.10 -1.54 -0.09 0.00 0.03 0.00 0.00 46.19 44.69 1wcq s LEU 305 CO 0.48 -0.17 1.36 -2.16 0.23 0.00 0.00 176.35 176.08 1wcq s PRO 306 N -0.68 3.87 -0.19 1.29 0.04 -1.26 -1.69 135.00 136.39 1wcq s PRO 306 Ca 0.21 2.27 -0.18 0.00 0.04 0.00 0.00 61.00 63.34 1wcq s PRO 306 Cb -0.16 -2.73 0.05 0.00 0.04 0.00 0.00 34.50 31.69 1wcq s PRO 306 CO -0.07 -0.61 0.50 0.34 0.04 0.00 0.00 177.00 177.20 1wcq s ASP 307 N -0.63 -0.52 -0.24 6.66 2.15 0.32 -4.42 116.67 119.99 1wcq s ASP 307 Ca 0.58 1.01 0.04 0.00 0.43 0.00 0.00 52.55 54.61 1wcq s ASP 307 Cb -0.40 1.03 0.43 0.00 -0.30 0.00 0.00 42.92 43.67 1wcq s ASP 307 CO 0.52 -0.18 1.48 -0.81 -0.17 0.00 0.00 175.17 176.02 1wcq n PRO 308 N 2.80 2.15 -2.43 4.34 -0.04 -0.27 -3.15 135.00 138.39 1wcq n PRO 308 Ca -0.13 -1.84 -0.04 0.00 -0.04 0.00 0.00 63.50 61.44 1wcq n PRO 308 Cb 0.56 -1.77 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1wcq n PRO 308 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1wcq n THR 309 N -0.28 -7.99 -3.59 0.52 -1.04 -1.26 -4.84 114.28 95.79 1wcq n THR 309 Ca 0.31 0.47 -0.13 0.00 -2.04 0.00 0.00 64.05 62.67 1wcq n THR 309 Cb 1.12 -6.17 -0.05 0.00 -1.82 0.00 0.00 70.33 63.41 1wcq n THR 309 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1wcq s ASN 310 N -2.19 -0.39 1.17 8.00 2.47 -1.26 -5.04 114.94 117.70 1wcq s ASN 310 Ca 0.14 0.04 -0.18 0.00 0.42 0.00 0.00 52.86 53.29 1wcq s ASN 310 Cb -0.04 0.49 0.27 0.00 -1.45 0.00 0.00 41.25 40.52 1wcq s ASN 310 CO 0.52 -0.75 1.10 0.21 -3.72 0.00 0.00 177.10 174.45 1wcq s ASN 311 N -2.19 1.22 0.07 -4.21 3.84 -1.26 -4.63 114.94 107.79 1wcq s ASN 311 Ca -0.03 0.76 -0.28 0.00 0.21 0.00 0.00 52.86 53.52 1wcq s ASN 311 Cb -0.00 -1.11 0.09 0.00 -0.55 0.00 0.00 41.25 39.68 1wcq s ASN 311 CO -0.05 -3.95 1.12 0.00 -2.79 0.00 0.00 177.10 171.43 1wcq s ALA 312 N -2.98 -1.93 0.01 1.71 0.00 -1.26 -4.61 121.76 112.70 1wcq s ALA 312 Ca 0.70 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1wcq s ALA 312 Cb -0.12 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1wcq s ALA 312 CO 0.57 -1.05 0.02 -1.54 0.00 0.00 0.00 175.76 173.76 1wcq s SER 313 N -2.97 0.15 -0.08 0.00 1.04 -0.31 -4.88 113.70 106.65 1wcq s SER 313 Ca 0.13 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 1wcq s SER 313 Cb 0.02 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.29 1wcq s SER 313 CO -0.01 -0.28 -0.02 -0.51 0.98 0.00 0.00 173.24 173.40 1wcq s ILE 314 N -1.25 0.55 0.15 -1.02 2.07 -1.26 -0.76 121.20 119.68 1wcq s ILE 314 Ca -0.14 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.13 1wcq s ILE 314 Cb -0.08 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 1wcq s ILE 314 CO -0.00 0.28 -0.10 0.27 -1.91 0.00 0.00 174.94 173.47 1wcq s ILE 315 N 1.71 1.21 -0.02 2.00 -4.36 -0.09 -4.70 121.20 116.95 1wcq s ILE 315 Ca 0.02 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.04 1wcq s ILE 315 Cb -0.13 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 1wcq s ILE 315 CO -0.05 -0.74 1.41 -0.13 0.24 0.00 0.00 174.94 175.67 1wcq s ARG 316 N -3.74 4.27 0.35 0.37 1.81 -1.26 -0.41 118.95 120.33 1wcq s ARG 316 Ca 0.17 1.95 0.04 0.00 -1.72 0.00 0.00 55.73 56.16 1wcq s ARG 316 Cb 0.02 -3.63 0.64 0.00 -0.45 0.00 0.00 34.95 31.53 1wcq s ARG 316 CO 0.01 -0.61 1.95 0.00 -0.68 0.00 0.00 175.30 175.96 1wcq h ALA 317 N 8.03 1.47 -2.66 2.13 0.00 -1.36 -3.35 119.26 123.52 1wcq h ALA 317 Ca -0.37 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 1wcq h ALA 317 Cb 1.17 -0.19 -0.39 0.00 0.00 0.00 0.00 17.79 18.37 1wcq h ALA 317 CO 0.91 0.41 -0.83 -0.06 0.00 0.00 0.00 179.25 179.69 1wcq s PHE 318 N -5.32 1.85 -0.78 0.00 0.08 -1.26 -4.98 117.98 107.57 1wcq s PHE 318 Ca -0.09 -2.56 0.15 0.00 0.12 0.00 0.00 56.93 54.55 1wcq s PHE 318 Cb 0.16 -1.53 0.65 0.00 -0.57 0.00 0.00 43.02 41.73 1wcq s PHE 318 CO 0.76 -0.75 1.45 -0.35 -0.10 0.00 0.00 175.22 176.24 1wcq n PRO 319 N 2.79 0.07 0.00 0.24 -0.04 -1.26 -2.25 135.00 134.55 1wcq n PRO 319 Ca 0.23 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 64.18 1wcq n PRO 319 Cb 0.42 -1.65 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1wcq n PRO 319 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wcq n ASP 320 N -1.77 1.89 -4.74 3.54 8.00 -1.26 -4.99 116.55 117.22 1wcq n ASP 320 Ca 0.02 -1.45 -0.41 0.00 0.71 0.00 0.00 54.79 53.66 1wcq n ASP 320 Cb 0.13 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1wcq n ASP 320 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wcq n ALA 321 N -0.05 1.80 -1.59 2.24 0.00 -0.96 -4.96 120.51 116.99 1wcq n ALA 321 Ca 0.08 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 1wcq n ALA 321 Cb 0.42 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.56 1wcq n ALA 321 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wcq s PRO 322 N -2.14 3.02 0.33 0.00 0.04 -1.26 -4.78 135.00 130.21 1wcq s PRO 322 Ca 0.57 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 1wcq s PRO 322 Cb -0.50 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 31.93 1wcq s PRO 322 CO 0.61 -1.08 1.27 0.00 0.04 0.00 0.00 177.00 177.84 1wcq n ALA 323 N -2.15 1.17 -0.71 8.56 0.00 -1.26 -2.34 120.51 123.78 1wcq n ALA 323 Ca 0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1wcq n ALA 323 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1wcq n ALA 323 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 324 N 0.86 1.32 3.82 0.00 0.00 0.14 -5.00 105.19 106.33 1wcq n GLY 324 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1wcq n GLY 324 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wcq s SER 325 N -3.10 6.62 0.30 1.61 1.04 -0.99 -4.96 113.70 114.22 1wcq s SER 325 Ca 0.00 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.19 1wcq s SER 325 Cb 0.00 -2.53 0.73 0.00 0.10 0.00 0.00 66.02 64.31 1wcq s SER 325 CO 0.00 -0.59 1.76 0.00 0.98 0.00 0.00 173.24 175.39 1wcq h ALA 326 N 1.39 1.59 -0.13 5.32 0.00 -1.95 -0.78 119.26 124.71 1wcq h ALA 326 Ca -0.48 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1wcq h ALA 326 Cb 1.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wcq h ALA 326 CO 0.60 -0.13 -0.49 0.00 0.00 0.00 0.00 179.25 179.23 1wcq h ARG 327 N 0.67 0.34 0.00 0.00 3.08 -1.93 -2.53 114.38 114.01 1wcq h ARG 327 Ca 0.57 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1wcq h ARG 327 Cb 0.93 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1wcq h ARG 327 CO -0.41 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 1wcq h ALA 328 N 1.21 1.00 -0.00 0.04 0.00 -1.36 -2.41 119.26 117.73 1wcq h ALA 328 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wcq h ALA 328 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wcq h ALA 328 CO 0.08 0.00 -0.42 1.63 0.00 0.00 0.00 179.25 180.54 1wcq n LYS 329 N -2.63 0.36 -2.87 0.00 5.02 -0.95 -3.55 118.16 113.54 1wcq n LYS 329 Ca -0.02 -0.22 -0.42 0.00 -2.02 0.00 0.00 58.31 55.64 1wcq n LYS 329 Cb 0.06 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 1wcq n LYS 329 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wcq s VAL 330 N -2.79 4.86 0.07 -0.18 1.01 -0.91 -1.08 120.40 121.38 1wcq s VAL 330 Ca 0.16 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.88 1wcq s VAL 330 Cb 0.18 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1wcq s VAL 330 CO 0.63 -0.01 -0.24 -0.76 0.00 0.00 0.00 175.10 174.72 1wcq s LEU 331 N 2.38 2.37 -0.03 3.92 1.43 0.25 -0.95 118.68 128.05 1wcq s LEU 331 Ca 0.38 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1wcq s LEU 331 Cb -0.16 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1wcq s LEU 331 CO 0.11 0.23 -0.15 -0.76 0.23 0.00 0.00 176.35 176.00 1wcq s LEU 332 N -1.60 2.68 -0.04 1.79 1.43 0.45 -1.90 118.68 121.49 1wcq s LEU 332 Ca 0.14 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1wcq s LEU 332 Cb -0.10 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1wcq s LEU 332 CO 0.05 0.33 -0.13 0.12 0.23 0.00 0.00 176.35 176.94 1wcq s PHE 333 N -0.76 1.37 -0.07 0.29 5.36 -0.31 -0.91 117.98 122.95 1wcq s PHE 333 Ca 0.12 -0.38 0.04 0.00 -0.96 0.00 0.00 56.93 55.75 1wcq s PHE 333 Cb -0.11 -0.95 -0.00 0.00 -0.34 0.00 0.00 43.02 41.63 1wcq s PHE 333 CO 0.01 -0.15 -0.21 -1.54 -1.46 0.00 0.00 175.22 171.87 1wcq s SER 334 N 0.16 2.72 0.33 6.13 1.04 0.06 -0.24 113.70 123.89 1wcq s SER 334 Ca -0.04 -0.47 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 1wcq s SER 334 Cb -0.11 -0.99 0.05 0.00 0.10 0.00 0.00 66.02 65.07 1wcq s SER 334 CO 0.02 0.17 0.80 0.54 0.98 0.00 0.00 173.24 175.75 1wcq s ASN 335 N 0.17 -0.08 -0.34 7.02 4.22 -1.02 -1.17 114.94 123.74 1wcq s ASN 335 Ca -0.11 -0.92 -0.29 0.00 -2.14 0.00 0.00 52.86 49.41 1wcq s ASN 335 Cb -0.15 0.77 0.02 0.00 1.28 0.00 0.00 41.25 43.16 1wcq s ASN 335 CO 0.05 -1.49 1.09 0.00 -2.04 0.00 0.00 177.10 174.71 1wcq s ALA 336 N -2.78 3.46 -0.25 3.54 0.00 -1.26 -1.26 121.76 123.21 1wcq s ALA 336 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 1wcq s ALA 336 Cb -0.05 -3.70 0.12 0.00 0.00 0.00 0.00 23.12 19.49 1wcq s ALA 336 CO 0.09 -1.57 2.22 0.00 0.00 0.00 0.00 175.76 176.50 1wcq n ALA 337 N 6.99 5.14 -2.49 0.00 0.00 -0.44 -4.27 120.51 125.43 1wcq n ALA 337 Ca 0.12 -1.49 -0.25 0.00 0.00 0.00 0.00 53.44 51.82 1wcq n ALA 337 Cb 0.47 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 1wcq n ALA 337 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wcq s SER 338 N 0.71 2.78 0.11 0.00 0.15 -1.26 -4.91 113.70 111.29 1wcq s SER 338 Ca 0.30 -0.74 0.23 0.00 0.70 0.00 0.00 55.95 56.44 1wcq s SER 338 Cb 0.21 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 1wcq s SER 338 CO -0.03 0.07 0.94 0.00 1.20 0.00 0.00 173.24 175.42 1wcq n GLN 339 N 0.86 0.50 0.00 5.44 6.02 -1.26 -1.11 117.38 127.82 1wcq n GLN 339 Ca -0.18 0.02 0.02 0.00 -0.01 0.00 0.00 57.00 56.86 1wcq n GLN 339 Cb 0.54 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 1wcq n GLN 339 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wcq n THR 340 N -2.34 0.00 -3.60 5.09 -2.24 -1.26 -4.32 114.28 105.60 1wcq n THR 340 Ca -0.00 -0.38 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1wcq n THR 340 Cb 0.51 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 1wcq n THR 340 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wcq s SER 341 N -1.46 -0.35 -1.21 3.42 1.04 -1.26 -5.04 113.70 108.83 1wcq s SER 341 Ca 0.02 -0.05 -0.14 0.00 0.48 0.00 0.00 55.95 56.26 1wcq s SER 341 Cb 0.04 0.48 0.17 0.00 0.10 0.00 0.00 66.02 66.81 1wcq s SER 341 CO 0.21 -0.78 1.44 -0.13 0.98 0.00 0.00 173.24 174.96 1wcq s ARG 342 N -3.04 4.08 0.38 4.02 0.52 -1.26 -4.33 118.95 119.32 1wcq s ARG 342 Ca -0.02 -2.56 -0.15 0.00 -0.52 0.00 0.00 55.73 52.49 1wcq s ARG 342 Cb 0.00 -5.08 0.05 0.00 0.52 0.00 0.00 34.95 30.44 1wcq s ARG 342 CO -0.06 -1.78 0.76 -1.54 0.02 0.00 0.00 175.30 172.69 1wcq s SER 343 N 2.89 0.08 -1.32 0.23 1.04 -1.21 -0.71 113.70 114.71 1wcq s SER 343 Ca 0.43 -1.16 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 1wcq s SER 343 Cb -0.03 0.83 0.01 0.00 0.10 0.00 0.00 66.02 66.93 1wcq s SER 343 CO 0.00 -1.64 0.79 0.00 0.98 0.00 0.00 173.24 173.37 1wcq n GLN 344 N -0.53 -5.31 -1.68 4.02 6.02 -1.06 -3.26 117.38 115.58 1wcq n GLN 344 Ca -0.07 0.66 -0.45 0.00 -0.01 0.00 0.00 57.00 57.13 1wcq n GLN 344 Cb 0.60 -5.33 -0.03 0.00 1.02 0.00 0.00 30.24 26.50 1wcq n GLN 344 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wcq n GLY 345 N -1.54 1.12 2.95 1.08 0.00 0.13 -1.33 105.19 107.60 1wcq n GLY 345 Ca -0.25 0.59 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 1wcq n GLY 345 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 346 N 0.61 -0.01 -0.17 2.61 2.01 -0.39 -0.28 115.64 120.03 1wcq s THR 346 Ca 0.74 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 1wcq s THR 346 Cb -0.63 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1wcq s THR 346 CO 0.41 0.01 0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 1wcq s ILE 347 N 0.16 4.66 0.24 1.82 -1.09 -0.24 -2.45 121.20 124.30 1wcq s ILE 347 Ca -0.01 -0.09 0.12 0.00 -2.23 0.00 0.00 60.65 58.44 1wcq s ILE 347 Cb -0.02 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.74 1wcq s ILE 347 CO -0.00 0.48 -0.22 -0.13 -1.23 0.00 0.00 174.94 173.84 1wcq s ARG 348 N 0.21 1.62 -0.01 2.79 0.52 0.67 -0.53 118.95 124.21 1wcq s ARG 348 Ca 0.03 -1.65 0.02 0.00 -0.52 0.00 0.00 55.73 53.62 1wcq s ARG 348 Cb -0.12 -1.81 -0.00 0.00 0.52 0.00 0.00 34.95 33.53 1wcq s ARG 348 CO 0.01 0.36 -0.08 1.41 0.02 0.00 0.00 175.30 177.03 1wcq s MET 349 N -3.11 0.67 -0.02 3.54 -2.45 -0.33 -1.16 119.30 116.43 1wcq s MET 349 Ca 0.26 -0.27 0.05 0.00 -1.25 0.00 0.00 55.69 54.48 1wcq s MET 349 Cb -0.06 -0.64 -0.01 0.00 1.25 0.00 0.00 34.83 35.36 1wcq s MET 349 CO 0.13 0.15 -0.16 0.45 1.05 0.00 0.00 175.02 176.63 1wcq s SER 350 N -0.09 1.93 -0.13 1.11 0.15 -0.80 -2.91 113.70 112.96 1wcq s SER 350 Ca 0.02 -0.30 0.16 0.00 0.70 0.00 0.00 55.95 56.53 1wcq s SER 350 Cb -0.04 -0.29 0.34 0.00 -1.71 0.00 0.00 66.02 64.31 1wcq s SER 350 CO -0.00 0.18 1.23 0.00 1.20 0.00 0.00 173.24 175.85 1wcq n ASP 352 N -0.97 2.63 -1.63 0.00 5.68 -1.21 -4.58 116.55 116.46 1wcq n ASP 352 Ca 0.16 -2.73 -0.18 0.00 -0.50 0.00 0.00 54.79 51.54 1wcq n ASP 352 Cb 0.67 -0.46 -0.05 0.00 -1.14 0.00 0.00 41.12 40.15 1wcq n ASP 352 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wcq n ASP 353 N -0.50 -5.15 0.00 -1.12 8.00 -0.24 -2.40 116.55 115.14 1wcq n ASP 353 Ca 0.19 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1wcq n ASP 353 Cb 0.83 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 1wcq n ASP 353 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wcq n GLY 354 N -0.89 0.81 0.28 0.44 0.00 -1.26 -4.97 105.19 99.59 1wcq n GLY 354 Ca -0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1wcq n GLY 354 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wcq h GLN 355 N 2.75 0.92 -5.16 1.61 4.20 -1.88 -3.45 115.11 114.10 1wcq h GLN 355 Ca 0.00 -0.39 -0.37 0.00 0.06 0.00 0.00 58.65 57.94 1wcq h GLN 355 Cb 0.00 -0.03 -0.21 0.00 0.30 0.00 0.00 27.48 27.54 1wcq h GLN 355 CO 0.00 1.05 -0.76 0.95 -0.67 0.00 0.00 178.83 179.40 1wcq s THR 356 N -4.62 1.01 -0.60 -0.54 -4.23 -1.26 -5.10 115.64 100.30 1wcq s THR 356 Ca -0.11 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1wcq s THR 356 Cb 0.12 -1.07 0.23 0.00 1.34 0.00 0.00 72.50 73.12 1wcq s THR 356 CO 0.86 -0.32 0.63 0.79 -0.54 0.00 0.00 174.62 176.04 1wcq n TRP 357 N 1.14 2.59 0.33 3.99 7.02 -1.26 -4.24 117.44 127.01 1wcq n TRP 357 Ca -0.20 -4.03 0.15 0.00 -1.02 0.00 0.00 57.50 52.39 1wcq n TRP 357 Cb 0.55 -0.48 0.61 0.00 -2.42 0.00 0.00 31.31 29.56 1wcq n TRP 357 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1wcq h PRO 358 N 4.48 0.00 -5.92 -0.99 0.13 -1.83 -3.45 132.00 124.43 1wcq h PRO 358 Ca 0.17 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.66 1wcq h PRO 358 Cb 0.73 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.55 1wcq h PRO 358 CO 0.72 0.00 -0.87 0.08 -0.23 0.00 0.00 178.00 177.70 1wcq s VAL 359 N -3.51 1.82 -0.01 1.56 1.01 -1.18 -2.03 120.40 118.06 1wcq s VAL 359 Ca 0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 1wcq s VAL 359 Cb 0.09 -1.54 0.04 0.00 0.00 0.00 0.00 36.38 34.97 1wcq s VAL 359 CO 0.46 0.51 0.44 -0.94 0.00 0.00 0.00 175.10 175.57 1wcq s SER 360 N -0.23 -0.34 -0.10 3.32 1.04 -1.26 -1.19 113.70 114.94 1wcq s SER 360 Ca 0.00 0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.56 1wcq s SER 360 Cb -0.12 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.43 1wcq s SER 360 CO 0.02 -0.55 0.30 -0.75 0.98 0.00 0.00 173.24 173.24 1wcq s LYS 361 N -1.57 0.40 0.05 4.02 2.20 0.31 -4.97 119.74 120.17 1wcq s LYS 361 Ca -0.11 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 1wcq s LYS 361 Cb -0.03 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1wcq s LYS 361 CO 0.04 -0.06 1.00 0.08 -0.36 0.00 0.00 175.35 176.05 1wcq s VAL 362 N -0.07 4.64 -0.16 4.02 1.01 -1.26 -1.08 120.40 127.50 1wcq s VAL 362 Ca -0.02 2.00 0.13 0.00 0.00 0.00 0.00 61.98 64.08 1wcq s VAL 362 Cb -0.03 -4.28 -0.18 0.00 0.00 0.00 0.00 36.38 31.90 1wcq s VAL 362 CO 0.01 0.21 0.34 2.22 0.00 0.00 0.00 175.10 177.88 1wcq n PHE 363 N 3.48 0.00 -3.35 5.22 1.16 0.61 -4.87 117.46 119.71 1wcq n PHE 363 Ca 0.05 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.48 1wcq n PHE 363 Cb 0.50 -0.21 -0.07 0.00 -1.61 0.00 0.00 39.48 38.08 1wcq n PHE 363 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 1wcq s GLN 364 N -2.69 0.56 0.47 3.97 2.00 -1.04 -5.00 119.66 117.94 1wcq s GLN 364 Ca -0.02 -0.57 0.17 0.00 -2.00 0.00 0.00 55.36 52.94 1wcq s GLN 364 Cb 0.08 -0.62 1.16 0.00 0.80 0.00 0.00 33.01 34.44 1wcq s GLN 364 CO 0.52 -1.14 2.01 -1.35 -0.50 0.00 0.00 175.29 174.82 1wcq h PRO 365 N 7.42 0.24 0.00 1.67 0.11 -1.89 0.47 132.00 140.01 1wcq h PRO 365 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1wcq h PRO 365 Cb 1.07 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1wcq h PRO 365 CO 0.23 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 178.59 1wcq n GLY 366 N -1.55 1.43 3.68 -0.55 0.00 -1.26 -3.02 105.19 103.91 1wcq n GLY 366 Ca 0.08 -1.68 -0.46 0.00 0.00 0.00 0.00 46.02 43.96 1wcq n GLY 366 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wcq n SER 367 N 0.00 3.33 -3.28 1.61 2.88 -1.26 -2.79 113.62 114.10 1wcq n SER 367 Ca 0.00 1.06 -0.05 0.00 -1.33 0.00 0.00 58.87 58.55 1wcq n SER 367 Cb 0.00 -1.44 -0.05 0.00 -0.75 0.00 0.00 64.21 61.96 1wcq n SER 367 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1wcq s MET 368 N 1.57 0.43 0.00 -1.46 0.00 0.11 -4.44 119.30 115.51 1wcq s MET 368 Ca 0.81 0.57 0.00 0.00 0.00 0.00 0.00 55.69 57.07 1wcq s MET 368 Cb -0.64 -0.14 0.00 0.00 0.00 0.00 0.00 34.83 34.04 1wcq s MET 368 CO 0.39 -0.74 0.00 0.43 0.00 0.00 0.00 175.02 175.10 1wcq n SER 369 N 5.38 0.00 -4.77 1.11 7.64 -0.45 -3.29 113.62 119.24 1wcq n SER 369 Ca -0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.49 1wcq n SER 369 Cb 0.50 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.68 1wcq n SER 369 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1wcq s PHE 370 N 1.82 3.08 -0.05 1.43 0.40 -1.26 -4.53 117.98 118.87 1wcq s PHE 370 Ca 0.00 1.58 -0.17 0.00 -0.60 0.00 0.00 56.93 57.74 1wcq s PHE 370 Cb 0.00 -3.30 0.03 0.00 0.51 0.00 0.00 43.02 40.26 1wcq s PHE 370 CO 0.00 -1.14 0.37 -1.54 0.70 0.00 0.00 175.22 173.61 1wcq s SER 371 N -1.34 -0.29 -0.12 1.36 1.04 -1.26 -0.58 113.70 112.50 1wcq s SER 371 Ca 0.59 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 57.27 1wcq s SER 371 Cb -0.27 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1wcq s SER 371 CO 0.34 -0.40 0.28 0.28 0.98 0.00 0.00 173.24 174.72 1wcq s THR 372 N -0.99 -0.15 0.07 2.02 -1.32 0.32 -3.77 115.64 111.82 1wcq s THR 372 Ca -0.10 0.17 -0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1wcq s THR 372 Cb -0.04 -0.44 -0.05 0.00 -1.51 0.00 0.00 72.50 70.46 1wcq s THR 372 CO 0.04 0.07 0.27 -0.76 -2.21 0.00 0.00 174.62 172.03 1wcq s LEU 373 N 1.60 4.34 0.02 9.08 1.43 -1.26 -1.10 118.68 132.79 1wcq s LEU 373 Ca -0.07 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1wcq s LEU 373 Cb -0.10 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.16 1wcq s LEU 373 CO -0.09 0.16 0.24 0.28 0.23 0.00 0.00 176.35 177.17 1wcq s THR 374 N -1.49 0.08 -0.12 5.49 -1.32 -0.74 -4.91 115.64 112.64 1wcq s THR 374 Ca 0.34 -0.69 -0.16 0.00 -1.21 0.00 0.00 61.69 59.97 1wcq s THR 374 Cb -0.13 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.08 1wcq s THR 374 CO 0.23 -0.38 0.40 0.00 -2.21 0.00 0.00 174.62 172.66 1wcq s ALA 375 N -1.98 3.55 0.11 11.08 0.00 -1.26 -0.38 121.76 132.88 1wcq s ALA 375 Ca -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1wcq s ALA 375 Cb -0.03 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1wcq s ALA 375 CO -0.00 0.11 0.30 -0.51 0.00 0.00 0.00 175.76 175.66 1wcq s LEU 376 N 0.30 4.31 0.44 0.00 1.43 -0.22 -4.85 118.68 120.09 1wcq s LEU 376 Ca 0.22 0.44 0.21 0.00 -1.03 0.00 0.00 54.13 53.97 1wcq s LEU 376 Cb -0.15 -3.15 1.18 0.00 0.03 0.00 0.00 46.19 44.11 1wcq s LEU 376 CO 0.08 0.10 1.85 -0.65 0.23 0.00 0.00 176.35 177.96 1wcq h PRO 377 N 2.88 0.30 -0.01 1.29 0.11 -1.94 -0.94 132.00 133.69 1wcq h PRO 377 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wcq h PRO 377 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wcq h PRO 377 CO 0.74 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 1wcq n ASP 378 N -4.47 0.10 0.00 -2.05 5.75 -1.26 -4.89 116.55 109.73 1wcq n ASP 378 Ca 0.20 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1wcq n ASP 378 Cb 0.79 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1wcq n ASP 378 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wcq n GLY 379 N 0.72 0.82 2.23 6.12 0.00 -0.36 -5.05 105.19 109.66 1wcq n GLY 379 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1wcq n GLY 379 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 380 N -2.20 0.00 -4.57 2.61 -2.24 -1.25 -4.76 114.28 101.86 1wcq n THR 380 Ca 0.00 -1.11 -0.23 0.00 -2.27 0.00 0.00 64.05 60.45 1wcq n THR 380 Cb 0.00 -0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 67.37 1wcq n THR 380 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1wcq s TYR 381 N -1.06 1.44 0.12 4.78 2.02 0.15 -1.06 117.35 123.74 1wcq s TYR 381 Ca 0.34 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.68 1wcq s TYR 381 Cb -0.03 -0.88 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 1wcq s TYR 381 CO 0.22 0.03 0.35 0.20 -1.57 0.00 0.00 175.55 174.77 1wcq s GLY 382 N -0.85 2.24 -0.22 0.71 0.00 0.49 -2.28 107.32 107.40 1wcq s GLY 382 Ca 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 1wcq s GLY 382 CO 0.01 -0.51 0.31 -2.27 0.00 0.00 0.00 173.10 170.64 1wcq s LEU 383 N -2.53 -0.39 -0.16 0.66 2.96 -0.18 -1.79 118.68 117.25 1wcq s LEU 383 Ca 0.39 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1wcq s LEU 383 Cb -0.12 0.79 -0.02 0.00 0.50 0.00 0.00 46.19 47.34 1wcq s LEU 383 CO 0.24 -0.31 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.67 1wcq s LEU 384 N 2.45 2.94 0.25 -0.68 2.96 -0.25 -0.44 118.68 125.90 1wcq s LEU 384 Ca 0.09 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.58 1wcq s LEU 384 Cb -0.15 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1wcq s LEU 384 CO -0.14 0.12 0.53 -0.72 -1.32 0.00 0.00 176.35 174.82 1wcq s TYR 385 N 0.63 0.19 -0.47 5.38 -0.85 -0.50 -0.52 117.35 121.20 1wcq s TYR 385 Ca -0.05 -0.57 -0.12 0.00 -0.52 0.00 0.00 57.07 55.81 1wcq s TYR 385 Cb -0.15 0.32 0.10 0.00 0.38 0.00 0.00 41.96 42.61 1wcq s TYR 385 CO 0.03 -1.03 0.36 -1.21 -1.52 0.00 0.00 175.55 172.18 1wcq s GLU 386 N -3.98 2.72 0.00 -3.49 2.02 0.25 -1.84 118.70 114.38 1wcq s GLU 386 Ca 0.18 -1.59 0.30 0.00 0.02 0.00 0.00 54.97 53.88 1wcq s GLU 386 Cb -0.02 -4.01 1.50 0.00 0.10 0.00 0.00 34.13 31.71 1wcq s GLU 386 CO 0.07 -1.13 2.02 -0.35 0.02 0.00 0.00 175.26 175.89 1wcq n PRO 387 N 5.04 0.68 0.00 0.39 -0.04 -1.26 -1.34 135.00 138.47 1wcq n PRO 387 Ca -0.11 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1wcq n PRO 387 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1wcq n PRO 387 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wcq n GLY 388 N 1.22 1.95 1.25 0.55 0.00 -1.26 -4.53 105.19 104.36 1wcq n GLY 388 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1wcq n GLY 388 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 389 N -0.29 1.43 0.00 2.61 -2.24 -1.26 -5.00 114.28 109.53 1wcq n THR 389 Ca 0.00 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 1wcq n THR 389 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1wcq n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wcq n GLY 390 N 1.01 0.60 2.95 3.38 0.00 -1.26 -0.82 105.19 111.05 1wcq n GLY 390 Ca 0.22 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 1wcq n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wcq s ILE 391 N 0.00 0.72 0.01 -0.61 -1.09 -0.50 -4.09 121.20 115.63 1wcq s ILE 391 Ca 0.00 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1wcq s ILE 391 Cb 0.00 -0.69 -0.01 0.00 -1.58 0.00 0.00 42.46 40.18 1wcq s ILE 391 CO 0.00 0.25 -0.10 -0.60 -1.23 0.00 0.00 174.94 173.26 1wcq s ARG 392 N 0.64 0.77 -0.15 2.79 3.52 -0.77 -0.85 118.95 124.92 1wcq s ARG 392 Ca -0.10 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1wcq s ARG 392 Cb -0.13 -0.73 -0.01 0.00 -1.56 0.00 0.00 34.95 32.52 1wcq s ARG 392 CO 0.01 0.19 -0.15 -0.47 -0.81 0.00 0.00 175.30 174.08 1wcq s TYR 393 N -0.49 2.79 0.17 5.12 5.04 0.14 -1.41 117.35 128.70 1wcq s TYR 393 Ca 0.02 -0.91 0.10 0.00 -2.44 0.00 0.00 57.07 53.84 1wcq s TYR 393 Cb -0.05 -1.87 -0.04 0.00 0.35 0.00 0.00 41.96 40.34 1wcq s TYR 393 CO 0.00 -0.39 -0.21 0.00 -1.34 0.00 0.00 175.55 173.61 1wcq s ALA 394 N 0.67 2.61 -0.03 3.97 0.00 0.42 -0.42 121.76 128.98 1wcq s ALA 394 Ca -0.07 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.42 1wcq s ALA 394 Cb -0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1wcq s ALA 394 CO 0.02 0.49 -0.20 1.21 0.00 0.00 0.00 175.76 177.28 1wcq s ASN 395 N -2.49 2.44 0.08 0.00 2.47 0.89 -1.01 114.94 117.34 1wcq s ASN 395 Ca 0.20 -0.39 -0.08 0.00 0.42 0.00 0.00 52.86 53.01 1wcq s ASN 395 Cb -0.09 -0.46 -0.01 0.00 -1.45 0.00 0.00 41.25 39.24 1wcq s ASN 395 CO 0.10 0.22 0.17 0.72 -3.72 0.00 0.00 177.10 174.59 1wcq s PHE 396 N -0.27 0.18 0.40 0.43 -0.12 -0.97 -1.44 117.98 116.19 1wcq s PHE 396 Ca 0.02 -0.62 0.08 0.00 -0.05 0.00 0.00 56.93 56.36 1wcq s PHE 396 Cb -0.10 -0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 1wcq s PHE 396 CO 0.01 -0.52 0.19 0.54 -0.05 0.00 0.00 175.22 175.38 1wcq s ASN 397 N -2.84 4.53 0.31 1.98 2.20 -1.09 -0.67 114.94 119.34 1wcq s ASN 397 Ca 0.05 -0.98 0.01 0.00 -0.94 0.00 0.00 52.86 50.99 1wcq s ASN 397 Cb 0.05 -0.53 0.54 0.00 -2.00 0.00 0.00 41.25 39.30 1wcq s ASN 397 CO -0.11 -0.50 1.92 -0.07 -2.94 0.00 0.00 177.10 175.41 1wcq h LEU 398 N 1.42 0.89 -1.35 3.54 3.38 -1.93 -2.74 115.31 118.52 1wcq h LEU 398 Ca -0.43 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.64 1wcq h LEU 398 Cb 1.25 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 1wcq h LEU 398 CO 0.67 0.58 0.52 0.00 0.09 0.00 0.00 178.44 180.31 1wcq h ALA 399 N 1.51 1.77 -0.46 1.53 0.00 -1.89 -1.63 119.26 120.09 1wcq h ALA 399 Ca 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wcq h ALA 399 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wcq h ALA 399 CO -0.13 0.06 0.29 2.35 0.00 0.00 0.00 179.25 181.81 1wcq h TRP 400 N 0.72 0.60 -0.53 0.00 7.01 -1.75 -3.02 115.95 118.99 1wcq h TRP 400 Ca 0.37 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.48 1wcq h TRP 400 Cb 0.47 -0.20 -0.09 0.00 -2.10 0.00 0.00 29.16 27.24 1wcq h TRP 400 CO -0.00 0.41 0.01 1.25 -2.79 0.00 0.00 178.44 177.32 1wcq h LEU 401 N 0.62 -0.20 -0.15 0.65 5.85 -1.26 -3.47 115.31 117.35 1wcq h LEU 401 Ca 0.17 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1wcq h LEU 401 Cb -0.02 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1wcq h LEU 401 CO -0.03 -0.07 0.00 0.61 -0.34 0.00 0.00 178.44 178.61 1wcq n GLY 402 N -1.32 0.50 3.84 3.75 0.00 -0.97 -4.74 105.19 106.25 1wcq n GLY 402 Ca 0.06 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1wcq n GLY 402 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wcq s GLY 403 N -2.97 1.87 -0.05 -0.02 0.00 -1.26 -1.81 107.32 103.08 1wcq s GLY 403 Ca 0.00 -1.72 0.05 0.00 0.00 0.00 0.00 44.72 43.05 1wcq s GLY 403 CO 0.00 -1.63 -0.20 -1.50 0.00 0.00 0.00 173.10 169.77 1wcq s ILE 404 N -2.36 1.66 -0.91 0.90 2.07 -1.01 -4.41 121.20 117.14 1wcq s ILE 404 Ca 0.42 -0.85 -0.21 0.00 -1.41 0.00 0.00 60.65 58.60 1wcq s ILE 404 Cb -0.05 -1.41 -0.12 0.00 0.13 0.00 0.00 42.46 41.01 1wcq s ILE 404 CO 0.26 0.47 1.95 0.00 -1.91 0.00 0.00 174.94 175.71 1wcq n ALA 406 N 8.42 2.80 -1.76 0.00 0.00 -1.26 -0.54 120.51 128.18 1wcq n ALA 406 Ca 0.49 -3.59 -0.37 0.00 0.00 0.00 0.00 53.44 49.97 1wcq n ALA 406 Cb 0.41 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1wcq n ALA 406 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wcq s PRO 407 N -1.13 3.47 0.05 0.00 0.04 -1.18 -4.73 135.00 131.53 1wcq s PRO 407 Ca 0.35 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1wcq s PRO 407 Cb 0.13 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1wcq s PRO 407 CO -0.12 -0.83 -0.05 -0.59 0.04 0.00 0.00 177.00 175.46 1wcq s PHE 408 N -1.48 0.57 0.05 0.56 -0.12 -1.26 -0.69 117.98 115.61 1wcq s PHE 408 Ca 0.68 -0.81 0.07 0.00 -0.05 0.00 0.00 56.93 56.82 1wcq s PHE 408 Cb -0.32 -0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 41.67 1wcq s PHE 408 CO 0.38 -0.23 -0.21 0.95 -0.05 0.00 0.00 175.22 176.06 1wcq s THR 409 N -2.86 1.66 -0.04 -4.49 -4.23 -0.44 -4.82 115.64 100.42 1wcq s THR 409 Ca -0.00 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1wcq s THR 409 Cb 0.00 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.41 1wcq s THR 409 CO -0.05 0.16 0.02 -0.63 -0.54 0.00 0.00 174.62 173.57 1wcq s ILE 410 N -0.86 0.14 0.65 2.99 1.01 -1.26 -1.82 121.20 122.05 1wcq s ILE 410 Ca 0.07 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 1wcq s ILE 410 Cb -0.09 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.08 1wcq s ILE 410 CO 0.02 0.18 1.12 -2.16 0.00 0.00 0.00 174.94 174.10 1wcq s PRO 411 N 1.49 2.80 0.70 2.79 0.04 -1.26 -4.77 135.00 136.79 1wcq s PRO 411 Ca -0.03 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 1wcq s PRO 411 Cb -0.13 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1wcq s PRO 411 CO -0.03 -1.26 1.23 -0.51 0.04 0.00 0.00 177.00 176.47 1wcq s ASP 412 N -2.41 4.34 -0.03 6.66 1.11 -1.26 -4.70 116.67 120.37 1wcq s ASP 412 Ca 0.69 2.43 -0.12 0.00 0.18 0.00 0.00 52.55 55.72 1wcq s ASP 412 Cb -0.22 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.19 1wcq s ASP 412 CO 0.40 -2.17 0.27 0.54 1.18 0.00 0.00 175.17 175.38 1wcq s VAL 413 N -1.82 0.05 -0.02 -1.27 0.11 -0.15 -4.97 120.40 112.35 1wcq s VAL 413 Ca 0.77 -0.44 0.05 0.00 -2.93 0.00 0.00 61.98 59.43 1wcq s VAL 413 Cb -0.31 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1wcq s VAL 413 CO 0.43 -0.24 -0.15 0.00 -3.33 0.00 0.00 175.10 171.81 1wcq s ALA 414 N -1.07 2.65 0.32 1.54 0.00 -1.26 -1.11 121.76 122.84 1wcq s ALA 414 Ca -0.11 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 1wcq s ALA 414 Cb -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1wcq s ALA 414 CO 0.03 0.57 0.50 -0.48 0.00 0.00 0.00 175.76 176.37 1wcq s LEU 415 N -1.00 0.73 0.16 0.00 0.05 0.26 -4.94 118.68 113.94 1wcq s LEU 415 Ca 0.13 -1.30 0.05 0.00 0.05 0.00 0.00 54.13 53.06 1wcq s LEU 415 Cb -0.11 1.66 -0.04 0.00 -2.05 0.00 0.00 46.19 45.66 1wcq s LEU 415 CO 0.03 -1.29 0.11 -1.61 -0.55 0.00 0.00 176.35 173.04 1wcq s GLU 416 N -3.25 2.80 0.17 1.48 0.41 -1.26 -1.63 118.70 117.41 1wcq s GLU 416 Ca 0.27 -0.91 -0.34 0.00 -0.41 0.00 0.00 54.97 53.59 1wcq s GLU 416 Cb -0.01 -2.59 -0.14 0.00 -1.78 0.00 0.00 34.13 29.61 1wcq s GLU 416 CO 0.16 0.48 1.50 -2.30 -0.49 0.00 0.00 175.26 174.61 1wcq n PRO 417 N -0.27 1.96 0.00 0.39 -0.02 -1.26 -1.84 135.00 133.97 1wcq n PRO 417 Ca -0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1wcq n PRO 417 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1wcq n PRO 417 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcq n GLY 418 N 2.99 2.17 3.88 -1.23 0.00 0.12 -4.63 105.19 108.49 1wcq n GLY 418 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1wcq n GLY 418 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wcq s GLN 419 N -0.01 3.68 -0.11 1.61 -0.21 -0.76 -4.69 119.66 119.17 1wcq s GLN 419 Ca 0.00 0.57 0.03 0.00 0.02 0.00 0.00 55.36 55.98 1wcq s GLN 419 Cb 0.00 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.78 1wcq s GLN 419 CO 0.00 -0.31 -0.22 -1.14 -2.12 0.00 0.00 175.29 171.51 1wcq s GLN 420 N -4.59 2.87 0.02 2.91 0.74 -1.26 -2.03 119.66 118.31 1wcq s GLN 420 Ca 0.53 -0.81 0.03 0.00 0.05 0.00 0.00 55.36 55.15 1wcq s GLN 420 Cb -0.10 -2.23 -0.01 0.00 1.10 0.00 0.00 33.01 31.76 1wcq s GLN 420 CO 0.43 0.10 -0.08 0.54 -0.55 0.00 0.00 175.29 175.72 1wcq s VAL 421 N 0.54 0.63 -0.20 1.34 0.11 -0.65 -4.98 120.40 117.19 1wcq s VAL 421 Ca -0.15 -0.68 -0.07 0.00 -2.93 0.00 0.00 61.98 58.16 1wcq s VAL 421 Cb -0.17 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1wcq s VAL 421 CO 0.05 -0.06 0.05 -0.89 -3.33 0.00 0.00 175.10 170.91 1wcq s THR 422 N -0.69 4.44 0.08 5.04 2.01 -1.26 -0.86 115.64 124.40 1wcq s THR 422 Ca -0.02 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 61.90 1wcq s THR 422 Cb -0.06 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1wcq s THR 422 CO 0.00 0.42 -0.11 0.68 -0.69 0.00 0.00 174.62 174.93 1wcq s VAL 423 N 0.82 3.31 0.40 3.82 -7.23 0.60 -4.96 120.40 117.17 1wcq s VAL 423 Ca 0.03 -1.20 -0.23 0.00 -1.81 0.00 0.00 61.98 58.77 1wcq s VAL 423 Cb -0.14 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.19 1wcq s VAL 423 CO 0.02 0.18 0.97 -2.16 -0.31 0.00 0.00 175.10 173.81 1wcq s PRO 424 N -1.99 4.27 -0.14 4.82 0.04 -1.26 -1.08 135.00 139.66 1wcq s PRO 424 Ca 0.20 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1wcq s PRO 424 Cb -0.11 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 1wcq s PRO 424 CO 0.12 -0.01 -0.15 0.08 0.04 0.00 0.00 177.00 177.07 1wcq s VAL 425 N -1.91 2.75 -0.27 -0.36 1.01 -0.66 -4.17 120.40 116.79 1wcq s VAL 425 Ca 0.59 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1wcq s VAL 425 Cb -0.15 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1wcq s VAL 425 CO 0.19 0.52 -0.03 0.00 0.00 0.00 0.00 175.10 175.79 1wcq s ALA 426 N 0.58 2.78 -0.35 5.51 0.00 -0.76 -0.77 121.76 128.75 1wcq s ALA 426 Ca -0.09 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.15 1wcq s ALA 426 Cb -0.16 -1.82 -0.00 0.00 0.00 0.00 0.00 23.12 21.14 1wcq s ALA 426 CO 0.03 -0.95 0.50 0.08 0.00 0.00 0.00 175.76 175.43 1wcq s VAL 427 N 1.33 5.03 -0.53 0.00 1.01 -0.05 -1.33 120.40 125.86 1wcq s VAL 427 Ca -0.01 0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 1wcq s VAL 427 Cb -0.17 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1wcq s VAL 427 CO -0.03 -0.21 0.82 -0.89 0.00 0.00 0.00 175.10 174.80 1wcq s THR 428 N 2.35 4.57 -0.52 3.92 2.01 0.14 -0.53 115.64 127.59 1wcq s THR 428 Ca 0.18 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.97 1wcq s THR 428 Cb -0.16 -4.44 0.04 0.00 0.01 0.00 0.00 72.50 67.95 1wcq s THR 428 CO 0.13 -0.98 0.89 0.21 -0.69 0.00 0.00 174.62 174.18 1wcq s ASN 429 N 2.74 6.37 -0.06 3.53 2.47 -1.07 -3.07 114.94 125.85 1wcq s ASN 429 Ca 0.25 -0.27 0.18 0.00 0.42 0.00 0.00 52.86 53.44 1wcq s ASN 429 Cb -0.15 -2.42 0.61 0.00 -1.45 0.00 0.00 41.25 37.85 1wcq s ASN 429 CO 0.17 -1.12 1.52 0.00 -3.72 0.00 0.00 177.10 173.95 1wcq n GLN 430 N 7.21 3.20 0.09 0.43 6.02 0.30 -3.97 117.38 130.66 1wcq n GLN 430 Ca 0.02 -2.67 0.05 0.00 -0.01 0.00 0.00 57.00 54.39 1wcq n GLN 430 Cb 0.48 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 1wcq n GLN 430 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wcq h SER 431 N 3.67 0.00 0.00 1.08 4.64 -1.82 -3.46 113.55 117.65 1wcq h SER 431 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wcq h SER 431 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1wcq h SER 431 CO 0.11 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 1wcq n GLY 432 N 1.27 2.38 3.80 -0.77 0.00 -1.26 -5.02 105.19 105.59 1wcq n GLY 432 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1wcq n GLY 432 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wcq s ILE 433 N -2.92 4.52 0.13 -0.61 -4.36 -1.26 -4.56 121.20 112.14 1wcq s ILE 433 Ca 0.00 -0.99 -0.27 0.00 -0.26 0.00 0.00 60.65 59.13 1wcq s ILE 433 Cb 0.00 -3.28 -0.07 0.00 1.25 0.00 0.00 42.46 40.37 1wcq s ILE 433 CO 0.00 -0.05 0.84 0.00 0.24 0.00 0.00 174.94 175.97 1wcq s ALA 434 N -1.66 3.37 -0.32 2.27 0.00 -1.26 -3.75 121.76 120.41 1wcq s ALA 434 Ca 0.31 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.70 1wcq s ALA 434 Cb -0.11 -3.07 0.10 0.00 0.00 0.00 0.00 23.12 20.04 1wcq s ALA 434 CO 0.23 0.14 0.06 0.08 0.00 0.00 0.00 175.76 176.28 1wcq s VAL 435 N -0.58 1.58 0.40 0.00 1.01 -0.56 -5.00 120.40 117.27 1wcq s VAL 435 Ca 0.40 -1.82 0.13 0.00 0.00 0.00 0.00 61.98 60.68 1wcq s VAL 435 Cb -0.23 -2.15 0.14 0.00 0.00 0.00 0.00 36.38 34.14 1wcq s VAL 435 CO 0.27 -0.59 1.91 -0.65 0.00 0.00 0.00 175.10 176.04 1wcq h PRO 436 N 7.86 0.05 -2.15 2.72 0.11 -1.95 -1.03 132.00 137.60 1wcq h PRO 436 Ca -0.10 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.44 1wcq h PRO 436 Cb 1.02 -0.01 -0.41 0.00 0.11 0.00 0.00 31.00 31.72 1wcq h PRO 436 CO 0.49 0.30 -0.85 1.63 -0.21 0.00 0.00 178.00 179.35 1wcq n LYS 437 N -4.22 2.12 -2.18 1.05 4.76 -1.26 -4.54 118.16 113.89 1wcq n LYS 437 Ca -0.02 -4.19 -0.36 0.00 -2.87 0.00 0.00 58.31 50.87 1wcq n LYS 437 Cb 0.32 -1.95 0.01 0.00 -1.84 0.00 0.00 35.03 31.56 1wcq n LYS 437 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1wcq s PRO 438 N -2.67 3.42 0.22 1.97 0.04 -1.26 -4.82 135.00 131.90 1wcq s PRO 438 Ca 0.43 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.31 1wcq s PRO 438 Cb 0.26 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1wcq s PRO 438 CO -0.09 -0.83 -0.14 -1.54 0.04 0.00 0.00 177.00 174.45 1wcq s SER 439 N -1.52 2.67 -0.17 6.66 1.04 -0.72 -4.52 113.70 117.15 1wcq s SER 439 Ca 0.70 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1wcq s SER 439 Cb -0.28 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.71 1wcq s SER 439 CO 0.32 -0.18 -0.17 -0.22 0.98 0.00 0.00 173.24 173.98 1wcq s LEU 440 N -3.35 1.92 -0.17 2.42 2.96 -1.26 -1.00 118.68 120.20 1wcq s LEU 440 Ca 0.24 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1wcq s LEU 440 Cb -0.00 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 1wcq s LEU 440 CO 0.08 -0.04 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.48 1wcq s GLN 441 N 1.39 3.69 0.10 1.98 0.74 0.30 -4.34 119.66 123.52 1wcq s GLN 441 Ca 0.05 -0.50 0.06 0.00 0.05 0.00 0.00 55.36 55.02 1wcq s GLN 441 Cb -0.13 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.93 1wcq s GLN 441 CO -0.12 0.16 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.23 1wcq s LEU 442 N 0.59 3.27 -0.29 3.68 1.43 -1.26 -0.21 118.68 125.89 1wcq s LEU 442 Ca -0.01 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1wcq s LEU 442 Cb -0.14 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.12 1wcq s LEU 442 CO 0.02 0.18 -0.04 -0.62 0.23 0.00 0.00 176.35 176.12 1wcq s ASP 443 N -2.27 4.45 0.37 2.29 2.15 0.13 -4.98 116.67 118.81 1wcq s ASP 443 Ca 0.24 -1.63 0.04 0.00 0.43 0.00 0.00 52.55 51.63 1wcq s ASP 443 Cb -0.11 -1.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.98 1wcq s ASP 443 CO 0.16 -0.27 0.15 0.00 -0.17 0.00 0.00 175.17 175.04 1wcq s ALA 444 N 1.10 2.55 0.33 3.66 0.00 -1.26 -1.64 121.76 126.50 1wcq s ALA 444 Ca -0.01 -1.50 -0.25 0.00 0.00 0.00 0.00 51.96 50.20 1wcq s ALA 444 Cb -0.19 0.93 -0.14 0.00 0.00 0.00 0.00 23.12 23.72 1wcq s ALA 444 CO -0.07 -0.42 0.66 0.43 0.00 0.00 0.00 175.76 176.36 1wcq n SER 445 N -1.24 -0.39 0.18 0.00 7.64 -1.26 -4.82 113.62 113.73 1wcq n SER 445 Ca -0.02 1.04 0.18 0.00 1.01 0.00 0.00 58.87 61.07 1wcq n SER 445 Cb 0.65 -1.12 0.81 0.00 -1.01 0.00 0.00 64.21 63.54 1wcq n SER 445 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1wcq h PRO 446 N 1.19 0.00 -0.09 1.43 0.11 -2.04 -1.51 132.00 131.09 1wcq h PRO 446 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1wcq h PRO 446 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1wcq h PRO 446 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1wcq n ASP 447 N -3.74 2.50 -4.79 -2.05 5.75 -1.26 -4.96 116.55 108.00 1wcq n ASP 447 Ca 0.03 -1.72 -0.38 0.00 -0.01 0.00 0.00 54.79 52.70 1wcq n ASP 447 Cb 0.40 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.38 1wcq n ASP 447 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1wcq s TRP 448 N -1.30 3.79 -0.44 2.11 0.52 -0.57 -4.70 118.94 118.35 1wcq s TRP 448 Ca 0.21 1.56 -0.22 0.00 0.02 0.00 0.00 56.10 57.68 1wcq s TRP 448 Cb 0.14 -2.73 0.02 0.00 -1.15 0.00 0.00 33.47 29.75 1wcq s TRP 448 CO 0.21 0.42 0.72 -0.65 0.02 0.00 0.00 176.95 177.66 1wcq s GLN 449 N -1.55 3.37 0.04 4.98 1.11 -0.84 -4.89 119.66 121.88 1wcq s GLN 449 Ca 0.40 -0.20 0.07 0.00 0.01 0.00 0.00 55.36 55.63 1wcq s GLN 449 Cb -0.20 -3.94 -0.02 0.00 -1.01 0.00 0.00 33.01 27.84 1wcq s GLN 449 CO 0.24 -1.05 -0.19 0.08 0.01 0.00 0.00 175.29 174.37 1wcq s VAL 450 N 3.06 1.56 -0.03 1.09 1.01 -1.26 0.90 120.40 126.73 1wcq s VAL 450 Ca 0.27 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 1wcq s VAL 450 Cb -0.13 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.94 1wcq s VAL 450 CO 0.21 0.19 0.55 0.00 0.00 0.00 0.00 175.10 176.05 1wcq s GLN 451 N -1.13 0.94 0.20 2.72 -2.07 -0.98 -4.95 119.66 114.38 1wcq s GLN 451 Ca 0.06 0.08 -0.12 0.00 -1.82 0.00 0.00 55.36 53.57 1wcq s GLN 451 Cb -0.09 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.27 1wcq s GLN 451 CO 0.02 -0.29 0.40 0.20 -1.32 0.00 0.00 175.29 174.29 1wcq s GLY 452 N -1.29 0.37 -0.08 2.60 0.00 -1.26 -1.11 107.32 106.55 1wcq s GLY 452 Ca -0.11 -0.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 1wcq s GLY 452 CO 0.07 -0.64 0.71 -1.35 0.00 0.00 0.00 173.10 171.89 1wcq s SER 453 N -2.96 -0.64 -0.00 1.64 1.04 -0.85 -4.43 113.70 107.49 1wcq s SER 453 Ca 0.17 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.38 1wcq s SER 453 Cb 0.01 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 1wcq s SER 453 CO 0.02 -0.56 -0.08 0.54 0.98 0.00 0.00 173.24 174.14 1wcq s VAL 454 N -1.04 0.64 0.67 5.02 0.11 -1.26 -1.43 120.40 123.11 1wcq s VAL 454 Ca -0.09 -0.38 -0.13 0.00 -2.93 0.00 0.00 61.98 58.44 1wcq s VAL 454 Cb -0.00 -0.55 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 1wcq s VAL 454 CO 0.08 0.16 1.08 -1.61 -3.33 0.00 0.00 175.10 171.48 1wcq s GLU 455 N -0.25 2.91 0.37 1.54 2.02 -0.61 -4.64 118.70 120.06 1wcq s GLU 455 Ca 0.03 1.18 -0.26 0.00 0.02 0.00 0.00 54.97 55.94 1wcq s GLU 455 Cb -0.03 -1.98 -0.12 0.00 0.10 0.00 0.00 34.13 32.10 1wcq s GLU 455 CO -0.00 -1.13 1.09 -2.30 0.02 0.00 0.00 175.26 172.94 1wcq n PRO 456 N -2.66 1.57 -3.13 0.39 -0.02 -1.26 -4.78 135.00 125.11 1wcq n PRO 456 Ca 0.09 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 1wcq n PRO 456 Cb 0.53 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 1wcq n PRO 456 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wcq s LEU 457 N -0.51 4.45 -0.04 2.45 1.43 -0.39 -4.87 118.68 121.19 1wcq s LEU 457 Ca 0.60 1.29 0.06 0.00 -1.03 0.00 0.00 54.13 55.05 1wcq s LEU 457 Cb -0.59 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 1wcq s LEU 457 CO 0.59 0.10 -0.21 -0.04 0.23 0.00 0.00 176.35 177.01 1wcq s MET 458 N -0.28 2.06 0.20 1.70 -1.94 -1.26 -1.49 119.30 118.29 1wcq s MET 458 Ca 0.33 -0.77 -0.32 0.00 -1.71 0.00 0.00 55.69 53.22 1wcq s MET 458 Cb -0.19 -1.82 -0.14 0.00 2.01 0.00 0.00 34.83 34.68 1wcq s MET 458 CO 0.20 0.36 1.42 -0.35 -0.01 0.00 0.00 175.02 176.64 1wcq n PRO 459 N 2.89 1.90 -0.94 2.03 -0.04 -1.25 -1.62 135.00 137.97 1wcq n PRO 459 Ca -0.17 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1wcq n PRO 459 Cb 0.52 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1wcq n PRO 459 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wcq n GLY 460 N 2.49 0.33 3.35 0.55 0.00 -1.25 -5.00 105.19 105.66 1wcq n GLY 460 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1wcq n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 461 N -0.82 1.32 0.16 1.61 1.81 -0.64 -4.98 118.95 117.40 1wcq s ARG 461 Ca 0.00 -1.40 -0.21 0.00 -1.72 0.00 0.00 55.73 52.41 1wcq s ARG 461 Cb 0.00 -1.48 -0.08 0.00 -0.45 0.00 0.00 34.95 32.94 1wcq s ARG 461 CO 0.00 0.32 0.68 -0.65 -0.68 0.00 0.00 175.30 174.96 1wcq s GLN 462 N -2.60 4.30 0.03 3.54 -0.21 -1.26 -2.59 119.66 120.86 1wcq s GLN 462 Ca 0.15 0.87 0.07 0.00 0.02 0.00 0.00 55.36 56.48 1wcq s GLN 462 Cb -0.07 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 1wcq s GLN 462 CO 0.07 0.52 -0.19 0.00 -2.12 0.00 0.00 175.29 173.57 1wcq s ALA 463 N -1.30 2.54 0.15 6.09 0.00 0.31 -4.92 121.76 124.63 1wcq s ALA 463 Ca 0.36 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 1wcq s ALA 463 Cb -0.19 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1wcq s ALA 463 CO 0.22 0.56 0.40 0.15 0.00 0.00 0.00 175.76 177.10 1wcq s LYS 464 N -1.34 3.65 0.00 0.00 1.02 -1.26 -0.87 119.74 120.94 1wcq s LYS 464 Ca 0.14 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1wcq s LYS 464 Cb -0.10 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 1wcq s LYS 464 CO 0.04 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1wcq n GLY 465 N 0.08 3.02 3.48 -3.33 0.00 0.05 -1.57 105.19 106.92 1wcq n GLY 465 Ca -0.02 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 1wcq n GLY 465 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wcq s GLN 466 N -1.88 0.83 -0.05 1.61 -2.07 -0.51 -1.66 119.66 115.93 1wcq s GLN 466 Ca 0.00 0.48 0.04 0.00 -1.82 0.00 0.00 55.36 54.06 1wcq s GLN 466 Cb 0.00 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 1wcq s GLN 466 CO 0.00 -0.19 -0.15 0.08 -1.32 0.00 0.00 175.29 173.71 1wcq s VAL 467 N -0.47 1.32 -0.21 3.63 1.01 -0.24 -2.01 120.40 123.44 1wcq s VAL 467 Ca -0.06 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1wcq s VAL 467 Cb -0.03 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1wcq s VAL 467 CO 0.05 0.39 -0.06 -0.89 0.00 0.00 0.00 175.10 174.59 1wcq s THR 468 N 0.21 3.30 -0.09 3.92 2.01 -0.26 -0.29 115.64 124.44 1wcq s THR 468 Ca -0.07 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.44 1wcq s THR 468 Cb -0.12 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.90 1wcq s THR 468 CO 0.03 0.44 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.55 1wcq s ILE 469 N 1.33 1.90 -0.18 1.82 1.01 -0.04 -2.32 121.20 124.72 1wcq s ILE 469 Ca 0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1wcq s ILE 469 Cb -0.14 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1wcq s ILE 469 CO -0.03 0.52 -0.13 -0.89 0.00 0.00 0.00 174.94 174.41 1wcq s THR 470 N 0.40 2.71 -0.23 2.92 2.01 0.26 -1.64 115.64 122.07 1wcq s THR 470 Ca -0.18 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 60.97 1wcq s THR 470 Cb -0.18 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1wcq s THR 470 CO 0.08 0.50 0.19 -0.69 -0.69 0.00 0.00 174.62 174.01 1wcq s VAL 471 N 1.11 5.34 0.49 3.82 1.01 -0.86 -1.99 120.40 129.31 1wcq s VAL 471 Ca 0.00 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1wcq s VAL 471 Cb -0.14 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 1wcq s VAL 471 CO -0.04 0.34 1.20 -2.84 0.00 0.00 0.00 175.10 173.76 1wcq s PRO 472 N 1.05 3.57 0.53 2.72 0.02 -1.26 -0.70 135.00 140.93 1wcq s PRO 472 Ca 0.09 1.86 -0.21 0.00 0.02 0.00 0.00 61.00 62.76 1wcq s PRO 472 Cb -0.14 -2.33 -0.06 0.00 0.02 0.00 0.00 34.50 31.99 1wcq s PRO 472 CO 0.05 -0.73 1.11 0.00 -0.33 0.00 0.00 177.00 177.10 1wcq n ALA 473 N -0.69 0.68 -0.32 -1.55 0.00 -1.26 -2.08 120.51 115.29 1wcq n ALA 473 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1wcq n ALA 473 Cb 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1wcq n ALA 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 474 N 1.07 1.04 3.74 0.00 0.00 -1.26 -4.84 105.19 104.94 1wcq n GLY 474 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1wcq n GLY 474 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 475 N -2.83 3.05 0.21 2.61 2.01 -0.88 -4.97 115.64 114.83 1wcq s THR 475 Ca 0.00 0.84 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1wcq s THR 475 Cb 0.00 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 1wcq s THR 475 CO 0.00 0.12 1.41 -0.89 -0.69 0.00 0.00 174.62 174.57 1wcq s THR 476 N 0.26 2.89 0.57 -0.82 2.01 -1.26 -4.84 115.64 114.45 1wcq s THR 476 Ca 0.59 0.72 -0.20 0.00 0.31 0.00 0.00 61.69 63.11 1wcq s THR 476 Cb -0.38 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1wcq s THR 476 CO 0.38 0.10 1.06 -2.65 -0.69 0.00 0.00 174.62 172.82 1wcq n PRO 477 N 2.80 1.12 -3.81 4.92 -0.02 -1.26 -4.89 135.00 133.86 1wcq n PRO 477 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1wcq n PRO 477 Cb 0.41 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1wcq n PRO 477 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcq n GLY 478 N 1.15 -2.40 3.67 -1.23 0.00 -0.43 -4.99 105.19 100.95 1wcq n GLY 478 Ca 0.13 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1wcq n GLY 478 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcq s ARG 479 N -1.96 4.06 -0.19 1.61 0.52 -1.26 -1.28 118.95 120.44 1wcq s ARG 479 Ca 0.00 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1wcq s ARG 479 Cb 0.00 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 32.15 1wcq s ARG 479 CO 0.00 0.23 -0.15 0.71 0.02 0.00 0.00 175.30 176.11 1wcq s TYR 480 N 0.53 2.63 -0.02 -0.53 2.02 0.16 -4.98 117.35 117.16 1wcq s TYR 480 Ca 0.06 -1.65 -0.30 0.00 -0.37 0.00 0.00 57.07 54.81 1wcq s TYR 480 Cb -0.12 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1wcq s TYR 480 CO 0.00 -0.77 1.03 0.50 -1.57 0.00 0.00 175.55 174.73 1wcq s ARG 481 N 1.33 4.50 -0.14 -0.62 3.52 -1.26 -0.48 118.95 125.80 1wcq s ARG 481 Ca 0.01 1.47 0.01 0.00 -0.13 0.00 0.00 55.73 57.09 1wcq s ARG 481 Cb -0.15 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.76 1wcq s ARG 481 CO -0.10 -0.17 -0.18 0.08 -0.81 0.00 0.00 175.30 174.13 1wcq s VAL 482 N 1.35 2.51 0.21 7.11 1.01 0.12 -4.81 120.40 127.90 1wcq s VAL 482 Ca 0.52 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1wcq s VAL 482 Cb -0.21 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1wcq s VAL 482 CO 0.25 0.53 0.44 -0.83 0.00 0.00 0.00 175.10 175.50 1wcq s GLY 483 N 0.62 1.96 -0.01 4.51 0.00 -0.65 -0.26 107.32 113.48 1wcq s GLY 483 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1wcq s GLY 483 CO 0.03 -0.58 0.01 0.00 0.00 0.00 0.00 173.10 172.57 1wcq s ALA 484 N -1.87 0.04 -0.10 3.20 0.00 -0.56 0.17 121.76 122.64 1wcq s ALA 484 Ca 0.41 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1wcq s ALA 484 Cb -0.11 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1wcq s ALA 484 CO 0.28 -0.05 -0.20 0.99 0.00 0.00 0.00 175.76 176.78 1wcq s THR 485 N 0.47 1.76 -0.32 0.00 2.01 0.71 -1.50 115.64 118.76 1wcq s THR 485 Ca -0.04 -0.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.91 1wcq s THR 485 Cb -0.06 -1.55 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 1wcq s THR 485 CO -0.01 0.49 0.68 -0.22 -0.69 0.00 0.00 174.62 174.88 1wcq s LEU 486 N 0.55 4.16 -0.19 4.42 2.96 0.84 -0.54 118.68 130.88 1wcq s LEU 486 Ca -0.15 0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 54.10 1wcq s LEU 486 Cb -0.17 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1wcq s LEU 486 CO 0.05 -0.57 0.05 -0.13 -1.32 0.00 0.00 176.35 174.44 1wcq s ARG 487 N 2.77 3.87 0.05 1.98 0.52 -0.17 -1.80 118.95 126.17 1wcq s ARG 487 Ca 0.27 -0.39 -0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1wcq s ARG 487 Cb -0.14 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 1wcq s ARG 487 CO 0.13 0.18 -0.03 0.95 0.02 0.00 0.00 175.30 176.55 1wcq s THR 488 N 0.60 0.24 0.37 0.02 -4.23 -1.11 -1.75 115.64 109.77 1wcq s THR 488 Ca 0.02 -1.77 0.39 0.00 -1.18 0.00 0.00 61.69 59.16 1wcq s THR 488 Cb -0.13 -1.46 0.42 0.00 1.34 0.00 0.00 72.50 72.67 1wcq s THR 488 CO 0.02 -0.96 2.17 0.77 -0.54 0.00 0.00 174.62 176.07 1wcq h SER 489 N 3.23 0.00 -0.47 3.99 4.64 -1.99 -2.40 113.55 120.55 1wcq h SER 489 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1wcq h SER 489 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1wcq h SER 489 CO 0.65 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 1wcq n ALA 490 N -2.09 3.24 0.00 5.18 0.00 -1.26 -5.05 120.51 120.53 1wcq n ALA 490 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.11 1wcq n ALA 490 Cb 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1wcq n ALA 490 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcq n GLY 491 N 0.73 2.27 3.38 0.00 0.00 -0.90 -4.29 105.19 106.38 1wcq n GLY 491 Ca 0.20 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 1wcq n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wcq s ASN 492 N 0.00 3.22 0.18 1.61 0.01 -0.75 -2.76 114.94 116.44 1wcq s ASN 492 Ca 0.00 -0.76 0.03 0.00 -0.71 0.00 0.00 52.86 51.42 1wcq s ASN 492 Cb 0.00 -0.21 -0.05 0.00 0.41 0.00 0.00 41.25 41.40 1wcq s ASN 492 CO 0.00 0.15 -0.03 0.00 -1.51 0.00 0.00 177.10 175.71 1wcq s ALA 493 N -1.19 1.48 0.13 0.60 0.00 -0.74 -2.39 121.76 119.64 1wcq s ALA 493 Ca 0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.45 1wcq s ALA 493 Cb -0.10 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1wcq s ALA 493 CO 0.06 -0.24 0.15 -1.54 0.00 0.00 0.00 175.76 174.19 1wcq s SER 494 N -3.20 0.21 0.29 0.00 1.04 -0.86 -0.12 113.70 111.06 1wcq s SER 494 Ca 0.23 -0.98 -0.14 0.00 0.48 0.00 0.00 55.95 55.53 1wcq s SER 494 Cb 0.05 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1wcq s SER 494 CO 0.04 -0.77 0.60 0.28 0.98 0.00 0.00 173.24 174.36 1wcq s THR 495 N -3.98 0.00 0.24 2.02 -1.32 -0.56 -4.76 115.64 107.29 1wcq s THR 495 Ca 0.17 -1.25 0.05 0.00 -1.21 0.00 0.00 61.69 59.44 1wcq s THR 495 Cb 0.06 -2.31 -0.05 0.00 -1.51 0.00 0.00 72.50 68.68 1wcq s THR 495 CO -0.02 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 172.78 1wcq s THR 496 N -3.60 1.25 0.12 5.08 -4.23 -1.26 -1.50 115.64 111.51 1wcq s THR 496 Ca 0.19 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.49 1wcq s THR 496 Cb -0.03 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.49 1wcq s THR 496 CO 0.10 -0.34 0.37 0.72 -0.54 0.00 0.00 174.62 174.93 1wcq s PHE 497 N -3.27 -0.12 -0.12 3.99 -0.12 0.64 -4.78 117.98 114.19 1wcq s PHE 497 Ca 0.28 -0.22 -0.03 0.00 -0.05 0.00 0.00 56.93 56.91 1wcq s PHE 497 Cb 0.05 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1wcq s PHE 497 CO 0.09 -0.69 -0.01 0.99 -0.05 0.00 0.00 175.22 175.55 1wcq s THR 498 N -3.82 4.13 -0.21 -4.49 2.01 -1.26 0.16 115.64 112.16 1wcq s THR 498 Ca 0.04 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.71 1wcq s THR 498 Cb 0.02 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 1wcq s THR 498 CO -0.11 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.63 1wcq s VAL 499 N -0.24 3.45 -0.25 3.82 1.01 0.37 -0.97 120.40 127.60 1wcq s VAL 499 Ca 0.05 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1wcq s VAL 499 Cb -0.13 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1wcq s VAL 499 CO 0.02 0.43 0.16 -0.89 0.00 0.00 0.00 175.10 174.82 1wcq s THR 500 N 1.32 5.29 -0.21 3.92 2.01 -0.27 0.39 115.64 128.09 1wcq s THR 500 Ca 0.04 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.15 1wcq s THR 500 Cb -0.14 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1wcq s THR 500 CO -0.02 0.33 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.54 1wcq s VAL 501 N 1.19 3.71 -1.88 3.82 1.01 -0.40 -0.57 120.40 127.27 1wcq s VAL 501 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1wcq s VAL 501 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1wcq s VAL 501 CO 0.06 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1wcq n GLY 502 N 4.57 0.21 3.70 4.51 0.00 -0.65 -1.32 105.19 116.22 1wcq n GLY 502 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1wcq n GLY 502 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wcq s LEU 503 N -5.65 3.60 0.68 0.99 1.43 -1.26 -1.49 118.68 116.97 1wcq s LEU 503 Ca 0.00 0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 1wcq s LEU 503 Cb 0.00 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1wcq s LEU 503 CO 0.00 0.30 1.15 -0.76 0.23 0.00 0.00 176.35 177.27 1wcq s LEU 504 N -1.46 3.39 -0.45 1.79 1.43 0.46 -4.67 118.68 119.17 1wcq s LEU 504 Ca 0.19 2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 55.15 1wcq s LEU 504 Cb -0.12 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.55 1wcq s LEU 504 CO 0.09 -1.83 1.31 -0.62 0.23 0.00 0.00 176.35 175.53 1wcq s ASP 505 N -2.31 6.43 0.42 2.29 2.15 -1.26 -4.73 116.67 119.66 1wcq s ASP 505 Ca 0.70 0.64 0.15 0.00 0.43 0.00 0.00 52.55 54.47 1wcq s ASP 505 Cb -0.24 -2.54 1.04 0.00 -0.30 0.00 0.00 42.92 40.88 1wcq s ASP 505 CO 0.42 -1.39 1.92 1.56 -0.17 0.00 0.00 175.17 177.51 1wcq h GLN 506 N 10.18 0.41 0.00 4.34 4.20 -1.94 -2.03 115.11 130.27 1wcq h GLN 506 Ca -0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1wcq h GLN 506 Cb 1.09 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1wcq h GLN 506 CO 1.11 0.27 -0.03 0.00 -0.67 0.00 0.00 178.83 179.51 1wcq h ALA 507 N 1.65 1.05 -0.00 3.87 0.00 -1.92 0.87 119.26 124.78 1wcq h ALA 507 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1wcq h ALA 507 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1wcq h ALA 507 CO -0.12 0.04 -0.06 0.54 0.00 0.00 0.00 179.25 179.65 1wcq n ARG 508 N -3.20 0.25 -2.84 0.00 1.74 -0.76 -4.95 116.66 106.90 1wcq n ARG 508 Ca -0.01 -0.03 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 1wcq n ARG 508 Cb 0.22 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 1wcq n ARG 508 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wcq s MET 509 N -2.77 3.29 0.16 5.56 -1.94 0.30 -3.50 119.30 120.40 1wcq s MET 509 Ca 0.21 -0.13 -0.11 0.00 -1.71 0.00 0.00 55.69 53.95 1wcq s MET 509 Cb 0.19 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.57 1wcq s MET 509 CO 0.51 -0.24 0.34 -1.54 -0.01 0.00 0.00 175.02 174.07 1wcq s SER 510 N -4.16 -0.03 -0.17 3.03 1.04 -0.18 -4.98 113.70 108.25 1wcq s SER 510 Ca 0.47 -0.73 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 1wcq s SER 510 Cb -0.10 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1wcq s SER 510 CO 0.41 -0.91 1.22 -0.63 0.98 0.00 0.00 173.24 174.32 1wcq s ILE 511 N -3.93 4.34 -0.06 -1.02 -1.09 -1.26 -0.33 121.20 117.86 1wcq s ILE 511 Ca 0.13 1.62 -0.17 0.00 -2.23 0.00 0.00 60.65 60.01 1wcq s ILE 511 Cb 0.02 -4.05 -0.30 0.00 -1.58 0.00 0.00 42.46 36.55 1wcq s ILE 511 CO -0.02 -0.13 0.75 0.00 -1.23 0.00 0.00 174.94 174.30 1wcq h ALA 512 N 8.04 0.03 -2.90 9.38 0.00 -0.82 -3.45 119.26 129.55 1wcq h ALA 512 Ca -0.26 -0.94 0.05 0.00 0.00 0.00 0.00 54.91 53.76 1wcq h ALA 512 Cb 1.10 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 1wcq h ALA 512 CO 0.96 0.69 0.26 0.16 0.00 0.00 0.00 179.25 181.33 1wcq s ASP 513 N -7.15 -0.37 -0.11 0.00 1.47 -1.14 -5.00 116.67 104.37 1wcq s ASP 513 Ca -0.16 -0.34 -0.17 0.00 1.18 0.00 0.00 52.55 53.06 1wcq s ASP 513 Cb 0.03 0.64 0.04 0.00 -0.34 0.00 0.00 42.92 43.30 1wcq s ASP 513 CO 0.83 -1.13 0.44 0.54 0.68 0.00 0.00 175.17 176.52 1wcq s VAL 514 N -3.76 0.02 0.22 2.11 0.11 -1.26 -1.66 120.40 116.17 1wcq s VAL 514 Ca 0.07 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1wcq s VAL 514 Cb -0.04 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1wcq s VAL 514 CO -0.01 -0.07 1.55 -2.24 -3.33 0.00 0.00 175.10 170.99 1wcq h ASP 515 N 4.71 0.48 -3.45 3.54 2.03 -1.59 -3.47 116.42 118.66 1wcq h ASP 515 Ca -0.28 -0.25 0.04 0.00 -0.73 0.00 0.00 57.03 55.82 1wcq h ASP 515 Cb 1.17 -0.14 -0.25 0.00 -0.83 0.00 0.00 39.33 39.29 1wcq h ASP 515 CO 0.29 0.92 0.40 -0.55 -1.03 0.00 0.00 179.24 179.27 1wcq s SER 516 N -6.90 -0.50 -0.19 4.15 0.15 -1.26 -5.02 113.70 104.14 1wcq s SER 516 Ca -0.06 0.92 -0.16 0.00 0.70 0.00 0.00 55.95 57.35 1wcq s SER 516 Cb 0.12 0.92 0.05 0.00 -1.71 0.00 0.00 66.02 65.40 1wcq s SER 516 CO 0.82 -0.19 0.49 -1.83 1.20 0.00 0.00 173.24 173.72 1wcq s GLU 517 N 0.11 0.55 -0.06 5.44 -1.05 -1.26 -4.28 118.70 118.15 1wcq s GLU 517 Ca 0.02 0.73 -0.23 0.00 -0.15 0.00 0.00 54.97 55.34 1wcq s GLU 517 Cb -0.04 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1wcq s GLU 517 CO -0.04 -0.09 0.69 -2.00 0.95 0.00 0.00 175.26 174.78 1wcq s GLU 518 N 0.53 4.43 0.00 -4.83 2.56 -0.09 -4.20 118.70 117.11 1wcq s GLU 518 Ca -0.02 0.87 0.00 0.00 0.00 0.00 0.00 54.97 55.82 1wcq s GLU 518 Cb -0.04 -3.44 0.00 0.00 2.00 0.00 0.00 34.13 32.65 1wcq s GLU 518 CO -0.03 0.08 0.00 0.25 -0.56 0.00 0.00 175.26 175.01 1wcq n THR 519 N 3.71 0.00 0.06 -1.70 -2.24 -1.23 -1.27 114.28 111.61 1wcq n THR 519 Ca -0.02 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1wcq n THR 519 Cb 0.51 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.95 1wcq n THR 519 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wcq h ALA 520 N 0.00 -0.23 -0.01 6.98 0.00 -2.02 -3.37 119.26 120.60 1wcq h ALA 520 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1wcq h ALA 520 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1wcq h ALA 520 CO 0.00 -0.34 -0.45 0.54 0.00 0.00 0.00 179.25 179.00 1wcq n ARG 521 N -4.95 1.30 -3.81 0.00 5.12 -1.26 -4.99 116.66 108.08 1wcq n ARG 521 Ca -0.08 -0.96 -0.05 0.00 -1.93 0.00 0.00 57.85 54.82 1wcq n ARG 521 Cb 0.27 -1.44 -0.01 0.00 -1.16 0.00 0.00 32.46 30.12 1wcq n ARG 521 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1wcq s GLU 522 N -2.37 1.53 -0.97 5.56 -1.05 -1.26 -5.08 118.70 115.05 1wcq s GLU 522 Ca 0.17 -0.89 -0.17 0.00 -0.15 0.00 0.00 54.97 53.94 1wcq s GLU 522 Cb 0.17 0.49 0.16 0.00 -0.44 0.00 0.00 34.13 34.51 1wcq s GLU 522 CO 0.54 -0.70 1.13 0.34 0.95 0.00 0.00 175.26 177.51 1wcq s ASP 523 N -3.01 6.76 -0.28 0.83 2.15 -1.26 -3.48 116.67 118.37 1wcq s ASP 523 Ca 0.14 -2.38 0.11 0.00 0.43 0.00 0.00 52.55 50.84 1wcq s ASP 523 Cb -0.03 -2.36 0.57 0.00 -0.30 0.00 0.00 42.92 40.79 1wcq s ASP 523 CO 0.05 -0.90 1.56 0.61 -0.17 0.00 0.00 175.17 176.33 1wcq n GLY 524 N 4.89 4.43 3.55 2.66 0.00 -0.40 -4.59 105.19 115.73 1wcq n GLY 524 Ca 0.25 -1.13 -0.52 0.00 0.00 0.00 0.00 46.02 44.62 1wcq n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wcq n ARG 525 N -0.82 0.77 -0.28 1.61 1.74 -1.22 -1.20 116.66 117.26 1wcq n ARG 525 Ca 0.34 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.83 1wcq n ARG 525 Cb 1.13 -1.78 0.38 0.00 -1.02 0.00 0.00 32.46 31.17 1wcq n ARG 525 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wcq h ALA 526 N 3.46 1.84 0.00 7.54 0.00 -1.91 -0.10 119.26 130.09 1wcq h ALA 526 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wcq h ALA 526 Cb 1.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wcq h ALA 526 CO 0.70 -0.11 0.00 0.66 0.00 0.00 0.00 179.25 180.50 1wcq h SER 527 N 0.68 0.00 0.42 0.00 4.64 -1.95 -1.37 113.55 115.98 1wcq h SER 527 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1wcq h SER 527 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1wcq h SER 527 CO -0.23 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.51 1wcq h ASN 528 N 0.00 0.00 1.33 4.97 2.35 -1.29 -2.39 115.58 120.55 1wcq h ASN 528 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wcq h ASN 528 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1wcq h ASN 528 CO 0.00 0.00 0.00 -0.37 -1.65 0.00 0.00 177.43 175.41 1wcq h VAL 529 N 0.00 0.00 -0.13 2.81 -1.51 -1.42 -3.31 116.25 112.69 1wcq h VAL 529 Ca 0.00 -0.63 -0.06 0.00 -1.23 0.00 0.00 66.70 64.78 1wcq h VAL 529 Cb 0.21 1.60 -0.04 0.00 -2.13 0.00 0.00 31.29 30.93 1wcq h VAL 529 CO 0.00 0.00 -0.34 2.30 -1.23 0.00 0.00 177.57 178.30 1wcq n ILE 530 N -2.94 2.33 0.83 7.19 -5.35 -0.90 -0.98 119.36 119.54 1wcq n ILE 530 Ca 0.02 -3.05 0.12 0.00 -0.27 0.00 0.00 62.75 59.57 1wcq n ILE 530 Cb 0.38 -0.27 0.12 0.00 -1.74 0.00 0.00 39.64 38.13 1wcq n ILE 530 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1wcq n ASP 531 N -1.13 3.08 -0.33 7.28 5.75 -1.24 -4.66 116.55 125.31 1wcq n ASP 531 Ca 0.24 -1.99 -0.04 0.00 -0.01 0.00 0.00 54.79 52.99 1wcq n ASP 531 Cb 0.81 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.83 1wcq n ASP 531 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wcq n GLY 532 N 1.37 0.66 2.85 6.12 0.00 -1.26 -5.03 105.19 109.90 1wcq n GLY 532 Ca 0.15 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1wcq n GLY 532 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wcq s ASN 533 N -2.95 4.02 0.52 1.61 3.84 -1.26 -5.01 114.94 115.72 1wcq s ASN 533 Ca 0.00 -1.54 0.33 0.00 0.21 0.00 0.00 52.86 51.86 1wcq s ASN 533 Cb 0.00 -1.08 1.79 0.00 -0.55 0.00 0.00 41.25 41.41 1wcq s ASN 533 CO 0.00 -0.35 2.00 -0.65 -2.79 0.00 0.00 177.10 175.32 1wcq h PRO 534 N 7.97 0.00 0.00 0.43 0.11 -1.94 -2.43 132.00 136.13 1wcq h PRO 534 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1wcq h PRO 534 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1wcq h PRO 534 CO 0.45 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.67 1wcq n SER 535 N -2.70 0.32 -4.49 -2.05 7.64 -1.26 -4.48 113.62 106.60 1wcq n SER 535 Ca -0.02 0.53 -0.28 0.00 1.01 0.00 0.00 58.87 60.11 1wcq n SER 535 Cb 0.11 -0.62 -0.11 0.00 -1.01 0.00 0.00 64.21 62.58 1wcq n SER 535 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wcq s THR 536 N -3.05 2.76 0.02 0.44 -4.23 -0.92 -4.91 115.64 105.76 1wcq s THR 536 Ca 0.12 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 1wcq s THR 536 Cb 0.16 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.70 1wcq s THR 536 CO 0.53 -0.03 0.26 0.72 -0.54 0.00 0.00 174.62 175.56 1wcq s PHE 537 N -1.46 -0.07 0.27 3.99 -0.12 -1.26 -4.44 117.98 114.88 1wcq s PHE 537 Ca 0.21 -0.01 -0.29 0.00 -0.05 0.00 0.00 56.93 56.79 1wcq s PHE 537 Cb -0.09 0.05 -0.09 0.00 -0.63 0.00 0.00 43.02 42.25 1wcq s PHE 537 CO 0.11 -0.42 0.97 -0.46 -0.05 0.00 0.00 175.22 175.37 1wcq s TRP 538 N -2.01 3.84 -0.02 3.49 -0.00 -0.08 -4.17 118.94 119.98 1wcq s TRP 538 Ca -0.09 1.85 -0.00 0.00 -0.00 0.00 0.00 56.10 57.85 1wcq s TRP 538 Cb -0.03 -3.03 0.03 0.00 -0.00 0.00 0.00 33.47 30.44 1wcq s TRP 538 CO -0.00 0.20 0.04 -1.58 -0.00 0.00 0.00 176.95 175.60 1wcq s HIS 539 N -1.27 0.02 0.95 5.86 5.65 -0.34 -2.20 115.29 123.96 1wcq s HIS 539 Ca 0.44 0.16 -0.12 0.00 0.25 0.00 0.00 55.06 55.80 1wcq s HIS 539 Cb -0.26 -0.24 0.16 0.00 -1.18 0.00 0.00 32.58 31.06 1wcq s HIS 539 CO 0.32 -0.10 1.09 0.95 -0.65 0.00 0.00 174.74 176.35 1wcq s THR 540 N 1.13 2.46 0.27 0.89 -4.23 -0.34 -0.92 115.64 114.90 1wcq s THR 540 Ca -0.08 0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 1wcq s THR 540 Cb -0.13 -2.49 -0.11 0.00 1.34 0.00 0.00 72.50 71.12 1wcq s THR 540 CO -0.03 -0.19 1.53 -0.70 -0.54 0.00 0.00 174.62 174.68 1wcq s GLU 541 N -4.81 4.19 0.00 3.99 2.12 -1.26 -3.95 118.70 118.98 1wcq s GLU 541 Ca 0.65 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.43 1wcq s GLU 541 Cb -0.20 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1wcq s GLU 541 CO 0.58 -0.54 0.00 -2.67 -0.54 0.00 0.00 175.26 172.09 1wcq n TRP 542 N 2.30 0.00 1.12 5.30 4.27 -1.26 -4.74 117.44 124.43 1wcq n TRP 542 Ca 0.08 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.82 1wcq n TRP 542 Cb 0.39 0.00 0.52 0.00 -1.36 0.00 0.00 31.31 30.86 1wcq n TRP 542 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1wcq n SER 543 N -0.93 0.25 -4.64 -0.67 3.41 -1.26 -4.57 113.62 105.21 1wcq n SER 543 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1wcq n SER 543 Cb 0.04 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 1wcq n SER 543 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wcq s ARG 544 N -2.85 2.77 0.54 4.33 0.52 -1.26 -5.03 118.95 117.97 1wcq s ARG 544 Ca 0.18 -0.58 0.29 0.00 -0.52 0.00 0.00 55.73 55.10 1wcq s ARG 544 Cb 0.19 -2.64 1.52 0.00 0.52 0.00 0.00 34.95 34.54 1wcq s ARG 544 CO 0.56 0.64 2.09 0.00 0.02 0.00 0.00 175.30 178.61 1wcq h ALA 545 N 4.72 1.24 -0.07 2.13 0.00 -1.98 -2.64 119.26 122.66 1wcq h ALA 545 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wcq h ALA 545 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1wcq h ALA 545 CO 0.55 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 1wcq n ASP 546 N -3.56 1.20 -4.51 0.00 5.75 -1.26 -4.92 116.55 109.25 1wcq n ASP 546 Ca -0.02 -1.52 -0.43 0.00 -0.01 0.00 0.00 54.79 52.81 1wcq n ASP 546 Cb 0.23 -0.04 -0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1wcq n ASP 546 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wcq n ALA 547 N -0.02 -0.99 -1.37 2.12 0.00 -1.00 -4.93 120.51 114.32 1wcq n ALA 547 Ca 0.18 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 1wcq n ALA 547 Cb 0.28 -1.88 0.09 0.00 0.00 0.00 0.00 19.45 17.94 1wcq n ALA 547 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wcq s PRO 548 N -1.60 2.16 0.00 0.00 0.04 -1.26 -5.07 135.00 129.26 1wcq s PRO 548 Ca 0.62 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1wcq s PRO 548 Cb -0.65 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1wcq s PRO 548 CO 0.58 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1wcq n GLY 549 N -1.54 1.31 3.77 0.56 0.00 -1.26 -4.87 105.19 103.15 1wcq n GLY 549 Ca 0.08 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1wcq n GLY 549 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wcq s TYR 550 N 1.54 2.62 0.66 1.61 2.02 -1.26 -4.52 117.35 120.03 1wcq s TYR 550 Ca 0.00 1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 58.11 1wcq s TYR 550 Cb 0.00 -3.22 -0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1wcq s TYR 550 CO 0.00 -1.68 1.07 -1.25 -1.57 0.00 0.00 175.55 172.13 1wcq s PRO 551 N -3.81 2.94 0.31 -1.71 0.04 -1.26 -5.08 135.00 126.44 1wcq s PRO 551 Ca 0.69 1.18 0.10 0.00 0.04 0.00 0.00 61.00 63.01 1wcq s PRO 551 Cb -0.22 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1wcq s PRO 551 CO 0.36 -1.11 -0.13 -1.01 0.04 0.00 0.00 177.00 175.16 1wcq s HIS 552 N -2.65 2.31 -0.22 0.56 3.76 0.15 -4.99 115.29 114.21 1wcq s HIS 552 Ca 0.63 -0.47 -0.12 0.00 -0.15 0.00 0.00 55.06 54.95 1wcq s HIS 552 Cb -0.17 -1.22 0.07 0.00 1.11 0.00 0.00 32.58 32.37 1wcq s HIS 552 CO 0.45 0.59 0.54 0.50 -0.85 0.00 0.00 174.74 175.97 1wcq s ARG 553 N -3.59 0.53 -0.03 1.40 3.52 -1.26 -0.60 118.95 118.92 1wcq s ARG 553 Ca 0.31 1.01 0.03 0.00 -0.13 0.00 0.00 55.73 56.95 1wcq s ARG 553 Cb 0.00 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.48 1wcq s ARG 553 CO 0.15 -0.16 -0.11 -1.50 -0.81 0.00 0.00 175.30 172.88 1wcq s ILE 554 N 1.60 0.90 -0.06 4.11 2.07 -0.50 -1.30 121.20 128.03 1wcq s ILE 554 Ca -0.09 -0.43 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 1wcq s ILE 554 Cb -0.07 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.73 1wcq s ILE 554 CO -0.16 0.28 -0.11 -0.44 -1.91 0.00 0.00 174.94 172.59 1wcq s SER 555 N 0.17 1.65 -0.07 4.50 0.01 -0.67 0.03 113.70 119.32 1wcq s SER 555 Ca -0.03 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.95 1wcq s SER 555 Cb -0.09 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 1wcq s SER 555 CO 0.01 0.03 -0.02 -0.76 0.41 0.00 0.00 173.24 172.91 1wcq s LEU 556 N 0.67 3.46 -0.17 2.44 1.43 0.12 -0.12 118.68 126.51 1wcq s LEU 556 Ca -0.14 0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 1wcq s LEU 556 Cb -0.15 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1wcq s LEU 556 CO 0.03 0.36 0.43 -0.62 0.23 0.00 0.00 176.35 176.78 1wcq s ASP 557 N -0.96 6.54 0.00 2.29 -1.08 0.55 -1.78 116.67 122.24 1wcq s ASP 557 Ca 0.14 0.65 0.27 0.00 -0.52 0.00 0.00 52.55 53.09 1wcq s ASP 557 Cb -0.11 -2.25 0.91 0.00 -1.46 0.00 0.00 42.92 40.00 1wcq s ASP 557 CO 0.03 -0.04 1.67 0.18 0.52 0.00 0.00 175.17 177.52 1wcq n LEU 558 N 4.13 0.68 0.00 -1.34 4.77 0.50 -1.01 117.00 124.73 1wcq n LEU 558 Ca -0.08 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1wcq n LEU 558 Cb 0.51 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1wcq n LEU 558 CO 0.41 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1wcq n GLY 559 N 1.35 1.08 0.00 -0.72 0.00 -1.23 -4.36 105.19 101.32 1wcq n GLY 559 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wcq n GLY 559 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcq n GLY 560 N -2.00 0.40 3.75 -0.02 0.00 -1.26 -5.08 105.19 100.97 1wcq n GLY 560 Ca 0.00 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 1wcq n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcq s THR 561 N -2.00 4.71 0.04 2.61 2.01 -1.26 -4.53 115.64 117.22 1wcq s THR 561 Ca 0.00 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.61 1wcq s THR 561 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1wcq s THR 561 CO 0.00 0.39 -0.05 -1.00 -0.69 0.00 0.00 174.62 173.26 1wcq s HIS 562 N -0.18 0.52 -0.25 4.92 3.76 0.01 -4.94 115.29 119.12 1wcq s HIS 562 Ca 0.37 -0.61 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 1wcq s HIS 562 Cb -0.20 -0.33 -0.01 0.00 1.11 0.00 0.00 32.58 33.14 1wcq s HIS 562 CO 0.23 -0.16 1.46 0.99 -0.85 0.00 0.00 174.74 176.40 1wcq s THR 563 N -1.90 3.92 0.23 1.30 2.01 -1.26 -1.16 115.64 118.78 1wcq s THR 563 Ca -0.08 1.04 0.09 0.00 0.31 0.00 0.00 61.69 63.05 1wcq s THR 563 Cb -0.07 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1wcq s THR 563 CO -0.02 -0.37 -0.16 0.27 -0.69 0.00 0.00 174.62 173.66 1wcq s ILE 564 N 4.73 1.95 0.00 1.82 -4.36 0.13 -0.27 121.20 125.20 1wcq s ILE 564 Ca 0.64 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 1wcq s ILE 564 Cb -0.21 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1wcq s ILE 564 CO 0.26 -0.53 0.44 -1.54 0.24 0.00 0.00 174.94 173.80 1wcq n SER 565 N -0.45 0.00 0.00 4.36 3.41 -0.23 -0.34 113.62 120.36 1wcq n SER 565 Ca -0.07 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1wcq n SER 565 Cb 0.60 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1wcq n SER 565 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wcq n GLY 566 N 0.00 1.77 3.04 5.00 0.00 -1.22 -2.02 105.19 111.76 1wcq n GLY 566 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 1wcq n GLY 566 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wcq s LEU 567 N 0.00 1.98 -0.17 0.99 2.96 -0.52 -1.65 118.68 122.27 1wcq s LEU 567 Ca 0.00 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1wcq s LEU 567 Cb 0.00 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.15 1wcq s LEU 567 CO 0.00 0.12 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.90 1wcq s GLN 568 N -0.16 3.18 -0.17 1.98 -0.21 0.37 -0.81 119.66 123.86 1wcq s GLN 568 Ca 0.03 -0.75 -0.05 0.00 0.02 0.00 0.00 55.36 54.61 1wcq s GLN 568 Cb -0.05 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 1wcq s GLN 568 CO -0.00 -0.08 -0.01 -0.47 -2.12 0.00 0.00 175.29 172.61 1wcq s TYR 569 N 1.07 3.09 -0.19 0.91 5.04 0.28 -1.71 117.35 125.83 1wcq s TYR 569 Ca -0.00 -0.21 -0.01 0.00 -2.44 0.00 0.00 57.07 54.40 1wcq s TYR 569 Cb -0.14 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.16 1wcq s TYR 569 CO -0.04 -0.00 -0.12 0.99 -1.34 0.00 0.00 175.55 175.04 1wcq s THR 570 N 0.42 2.81 0.91 4.34 2.01 -0.51 0.38 115.64 126.00 1wcq s THR 570 Ca -0.02 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 1wcq s THR 570 Cb -0.14 -2.23 0.14 0.00 0.01 0.00 0.00 72.50 70.28 1wcq s THR 570 CO 0.02 0.48 1.10 0.00 -0.69 0.00 0.00 174.62 175.53 1wcq s ARG 571 N 1.20 1.13 0.30 4.92 1.70 -1.26 -0.75 118.95 126.19 1wcq s ARG 571 Ca 0.02 0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 55.66 1wcq s ARG 571 Cb -0.14 -1.80 -0.12 0.00 -0.57 0.00 0.00 34.95 32.31 1wcq s ARG 571 CO -0.05 -2.29 1.45 -2.13 -1.08 0.00 0.00 175.30 171.20 1wcq n ARG 572 N -3.90 2.36 0.04 3.89 0.63 -1.24 -3.99 116.66 114.46 1wcq n ARG 572 Ca 0.06 0.84 -0.05 0.00 -0.92 0.00 0.00 57.85 57.78 1wcq n ARG 572 Cb 0.56 -2.53 -0.10 0.00 0.45 0.00 0.00 32.46 30.85 1wcq n ARG 572 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1wcq h GLN 573 N 3.83 0.00 -0.26 -0.14 1.08 -1.93 -3.38 115.11 114.32 1wcq h GLN 573 Ca -0.47 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.70 1wcq h GLN 573 Cb 1.26 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.67 1wcq h GLN 573 CO 0.72 0.64 -0.00 0.27 -0.95 0.00 0.00 178.83 179.50 1wcq n ASN 574 N -3.15 3.56 -3.58 1.46 6.94 -1.26 -4.95 115.26 114.28 1wcq n ASN 574 Ca -0.07 -3.14 -0.11 0.00 -0.02 0.00 0.00 54.58 51.24 1wcq n ASN 574 Cb 0.93 -0.55 -0.05 0.00 -2.36 0.00 0.00 39.78 37.75 1wcq n ASN 574 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1wcq s SER 575 N -2.09 -0.37 0.00 0.53 0.15 -1.26 -5.09 113.70 105.56 1wcq s SER 575 Ca 0.42 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wcq s SER 575 Cb 0.35 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1wcq s SER 575 CO 0.07 -0.34 0.55 0.00 1.20 0.00 0.00 173.24 174.72 1wcq n ALA 576 N 0.73 2.01 -0.60 5.45 0.00 -1.26 -4.67 120.51 122.17 1wcq n ALA 576 Ca -0.10 -0.55 0.07 0.00 0.00 0.00 0.00 53.44 52.86 1wcq n ALA 576 Cb 0.58 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.26 1wcq n ALA 576 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wcq n ASN 577 N -0.12 3.68 -1.11 0.00 4.13 -1.26 -4.32 115.26 116.26 1wcq n ASN 577 Ca 0.00 -2.51 0.04 0.00 1.68 0.00 0.00 54.58 53.79 1wcq n ASN 577 Cb 0.11 -0.43 0.12 0.00 -1.54 0.00 0.00 39.78 38.04 1wcq n ASN 577 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wcq n GLU 578 N 0.20 1.04 -3.09 3.52 4.71 -1.26 -4.64 120.64 121.12 1wcq n GLU 578 Ca 0.18 -2.82 -0.40 0.00 -0.01 0.00 0.00 57.16 54.11 1wcq n GLU 578 Cb 0.71 -0.99 -0.06 0.00 -1.01 0.00 0.00 31.44 30.09 1wcq n GLU 578 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1wcq s GLN 579 N -1.96 4.22 0.25 3.49 -0.21 -1.26 -1.21 119.66 122.97 1wcq s GLN 579 Ca 0.37 0.66 -0.31 0.00 0.02 0.00 0.00 55.36 56.10 1wcq s GLN 579 Cb 0.38 -3.58 -0.12 0.00 1.00 0.00 0.00 33.01 30.69 1wcq s GLN 579 CO -0.10 -0.26 1.67 0.28 -2.12 0.00 0.00 175.29 174.75 1wcq n VAL 580 N 4.73 0.46 0.00 1.09 0.31 -1.26 -0.65 118.33 123.01 1wcq n VAL 580 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1wcq n VAL 580 Cb 0.50 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1wcq n VAL 580 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wcq n ALA 581 N 3.14 0.23 -1.76 3.52 0.00 0.99 -4.41 120.51 122.22 1wcq n ALA 581 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 1wcq n ALA 581 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 1wcq n ALA 581 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wcq s ASP 582 N -0.22 7.04 0.14 0.00 1.01 -1.24 -1.01 116.67 122.37 1wcq s ASP 582 Ca 0.00 2.46 -0.09 0.00 0.71 0.00 0.00 52.55 55.62 1wcq s ASP 582 Cb 0.00 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1wcq s ASP 582 CO 0.00 -0.32 0.26 -0.72 0.21 0.00 0.00 175.17 174.60 1wcq s TYR 583 N -1.16 0.27 0.05 4.23 -0.85 -0.64 -0.85 117.35 118.40 1wcq s TYR 583 Ca 0.47 -0.66 0.02 0.00 -0.52 0.00 0.00 57.07 56.37 1wcq s TYR 583 Cb -0.35 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 1wcq s TYR 583 CO 0.46 -0.66 -0.06 -1.21 -1.52 0.00 0.00 175.55 172.56 1wcq s GLU 584 N -3.92 0.55 -0.06 -3.49 2.02 0.10 -2.83 118.70 111.06 1wcq s GLU 584 Ca 0.12 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1wcq s GLU 584 Cb 0.04 -0.17 -0.00 0.00 0.10 0.00 0.00 34.13 34.09 1wcq s GLU 584 CO -0.04 0.01 -0.20 0.42 0.02 0.00 0.00 175.26 175.46 1wcq s ILE 585 N -1.94 1.71 0.17 -1.63 1.01 -0.13 -0.26 121.20 120.12 1wcq s ILE 585 Ca -0.06 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.81 1wcq s ILE 585 Cb -0.06 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1wcq s ILE 585 CO -0.01 0.48 -0.17 -0.31 0.00 0.00 0.00 174.94 174.93 1wcq s TYR 586 N 0.05 1.74 0.29 3.97 2.02 -0.36 0.03 117.35 125.10 1wcq s TYR 586 Ca -0.06 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1wcq s TYR 586 Cb -0.13 -0.86 -0.06 0.00 -0.40 0.00 0.00 41.96 40.51 1wcq s TYR 586 CO 0.04 0.32 0.06 0.95 -1.57 0.00 0.00 175.55 175.34 1wcq s THR 587 N -2.30 1.03 -0.04 -0.71 -4.23 -0.60 -0.42 115.64 108.38 1wcq s THR 587 Ca 0.17 -2.01 -0.25 0.00 -1.18 0.00 0.00 61.69 58.42 1wcq s THR 587 Cb -0.04 -2.68 0.05 0.00 1.34 0.00 0.00 72.50 71.17 1wcq s THR 587 CO 0.06 -0.06 0.53 -0.55 -0.54 0.00 0.00 174.62 174.07 1wcq s SER 588 N -3.42 -0.48 -0.15 3.99 0.15 -0.49 -0.59 113.70 112.72 1wcq s SER 588 Ca 0.36 0.48 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1wcq s SER 588 Cb 0.08 0.46 -0.23 0.00 -1.71 0.00 0.00 66.02 64.62 1wcq s SER 588 CO 0.14 -0.54 0.23 0.18 1.20 0.00 0.00 173.24 174.45 1wcq n LEU 589 N 1.08 2.14 -0.00 3.45 4.77 -1.26 -0.55 117.00 126.63 1wcq n LEU 589 Ca -0.20 0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1wcq n LEU 589 Cb 0.57 -0.67 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1wcq n LEU 589 CO 0.23 0.76 -0.20 -0.46 -1.33 0.00 0.00 177.39 176.39 1wcq n ASN 590 N -3.27 0.81 0.00 -1.43 0.23 -1.26 -4.49 115.26 105.86 1wcq n ASN 590 Ca -0.33 -0.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.99 1wcq n ASN 590 Cb 1.05 1.20 0.00 0.00 -2.08 0.00 0.00 39.78 39.95 1wcq n ASN 590 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wcq n GLY 591 N 1.43 1.39 0.00 4.83 0.00 -1.26 -4.85 105.19 106.72 1wcq n GLY 591 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wcq n GLY 591 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcq n THR 592 N -2.00 0.00 -3.86 2.61 -2.24 -1.26 -4.96 114.28 102.57 1wcq n THR 592 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1wcq n THR 592 Cb 0.00 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 67.45 1wcq n THR 592 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wcq s THR 593 N -1.83 3.66 -0.18 4.28 -4.23 -1.26 -5.07 115.64 111.01 1wcq s THR 593 Ca 0.00 -0.43 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 1wcq s THR 593 Cb 0.00 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1wcq s THR 593 CO 0.00 0.37 0.01 0.26 -0.54 0.00 0.00 174.62 174.72 1wcq s TRP 594 N 1.52 3.09 -0.03 3.99 0.52 -1.26 -4.34 118.94 122.42 1wcq s TRP 594 Ca 0.06 -0.27 -0.13 0.00 0.02 0.00 0.00 56.10 55.78 1wcq s TRP 594 Cb -0.15 -2.05 -0.05 0.00 -1.15 0.00 0.00 33.47 30.07 1wcq s TRP 594 CO -0.01 -0.08 0.34 -0.51 0.02 0.00 0.00 176.95 176.71 1wcq s ASP 595 N 0.66 6.70 0.00 2.95 1.01 0.24 -4.94 116.67 123.30 1wcq s ASP 595 Ca 0.00 0.84 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1wcq s ASP 595 Cb -0.14 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1wcq s ASP 595 CO 0.02 0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.35 1wcq n GLY 596 N 1.91 0.72 3.72 0.21 0.00 -1.26 -1.56 105.19 108.92 1wcq n GLY 596 Ca -0.15 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 1wcq n GLY 596 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wcq s PRO 597 N -1.12 4.23 0.12 1.61 0.04 -1.26 -5.06 135.00 133.55 1wcq s PRO 597 Ca 0.00 2.32 0.27 0.00 0.04 0.00 0.00 61.00 63.63 1wcq s PRO 597 Cb 0.00 -3.20 0.87 0.00 0.04 0.00 0.00 34.50 32.22 1wcq s PRO 597 CO 0.00 -0.60 1.75 1.33 0.04 0.00 0.00 177.00 179.52 1wcq n VAL 598 N 4.02 0.34 -3.55 -0.36 0.24 0.11 -4.83 118.33 114.30 1wcq n VAL 598 Ca 0.14 -0.17 -0.17 0.00 -2.04 0.00 0.00 64.34 62.09 1wcq n VAL 598 Cb 0.39 -0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 32.25 1wcq n VAL 598 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wcq s ALA 599 N -3.07 -1.74 0.14 2.33 0.00 -1.22 -4.75 121.76 113.46 1wcq s ALA 599 Ca 0.11 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 1wcq s ALA 599 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1wcq s ALA 599 CO 0.60 -0.36 0.31 -1.54 0.00 0.00 0.00 175.76 174.76 1wcq s SER 600 N -0.93 -0.02 0.00 0.00 1.04 -1.26 -0.96 113.70 111.57 1wcq s SER 600 Ca -0.09 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1wcq s SER 600 Cb -0.01 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wcq s SER 600 CO 0.08 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1wcq n GLY 601 N -0.19 -0.61 2.86 7.32 0.00 -1.13 -5.02 105.19 108.42 1wcq n GLY 601 Ca -0.11 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 1wcq n GLY 601 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wcq s ARG 602 N -0.58 1.18 0.78 1.61 3.52 -1.26 -1.63 118.95 122.58 1wcq s ARG 602 Ca 0.00 -0.13 -0.11 0.00 -0.13 0.00 0.00 55.73 55.37 1wcq s ARG 602 Cb 0.00 -1.34 0.06 0.00 -1.56 0.00 0.00 34.95 32.12 1wcq s ARG 602 CO 0.00 -0.26 1.09 -0.06 -0.81 0.00 0.00 175.30 175.26 1wcq s PHE 603 N 1.73 2.61 0.24 5.12 0.08 -0.18 -4.96 117.98 122.63 1wcq s PHE 603 Ca 0.04 1.47 0.03 0.00 0.12 0.00 0.00 56.93 58.59 1wcq s PHE 603 Cb -0.13 -3.05 0.04 0.00 -0.57 0.00 0.00 43.02 39.32 1wcq s PHE 603 CO -0.06 -1.83 0.34 0.25 -0.10 0.00 0.00 175.22 173.82 1wcq n THR 604 N -3.53 0.00 1.28 0.64 -2.24 -1.26 -4.72 114.28 104.45 1wcq n THR 604 Ca 0.08 -0.74 0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1wcq n THR 604 Cb 0.54 -0.89 0.41 0.00 -2.10 0.00 0.00 70.33 68.29 1wcq n THR 604 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wcq n THR 605 N -1.60 0.11 -1.45 4.28 -2.24 -1.26 -4.96 114.28 107.16 1wcq n THR 605 Ca 0.07 -0.34 -0.48 0.00 -2.27 0.00 0.00 64.05 61.03 1wcq n THR 605 Cb 0.24 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1wcq n THR 605 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1wcq n SER 606 N 0.42 -0.59 0.03 3.42 2.88 -1.26 -4.88 113.62 113.65 1wcq n SER 606 Ca 0.18 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.99 1wcq n SER 606 Cb 0.39 -1.03 0.55 0.00 -0.75 0.00 0.00 64.21 63.37 1wcq n SER 606 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wcq n LEU 607 N 1.82 0.26 -4.89 2.46 4.77 -1.26 -4.61 117.00 115.56 1wcq n LEU 607 Ca 0.16 0.51 -0.29 0.00 -0.03 0.00 0.00 56.01 56.37 1wcq n LEU 607 Cb 0.25 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1wcq n LEU 607 CO 0.57 -0.05 0.49 0.00 -1.33 0.00 0.00 177.39 177.06 1wcq s ALA 608 N -3.03 3.33 0.29 -1.18 0.00 -1.26 -4.69 121.76 115.22 1wcq s ALA 608 Ca 0.13 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 1wcq s ALA 608 Cb 0.17 -2.71 -0.14 0.00 0.00 0.00 0.00 23.12 20.44 1wcq s ALA 608 CO 0.55 -0.26 1.06 -2.30 0.00 0.00 0.00 175.76 174.81 1wcq n PRO 609 N -1.94 1.44 -4.86 0.00 -0.02 -1.26 -4.74 135.00 123.62 1wcq n PRO 609 Ca 0.02 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.68 1wcq n PRO 609 Cb 0.54 -1.91 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 1wcq n PRO 609 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1wcq s GLN 610 N -1.51 3.24 -0.04 -0.52 -0.21 0.16 -4.89 119.66 115.90 1wcq s GLN 610 Ca 0.59 -0.72 -0.13 0.00 0.02 0.00 0.00 55.36 55.12 1wcq s GLN 610 Cb -0.69 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 30.71 1wcq s GLN 610 CO 0.60 0.25 0.36 1.03 -2.12 0.00 0.00 175.29 175.40 1wcq s ARG 611 N 0.24 3.88 -0.27 2.91 0.52 -1.26 -0.56 118.95 124.40 1wcq s ARG 611 Ca -0.10 0.30 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1wcq s ARG 611 Cb -0.16 -3.24 0.08 0.00 0.52 0.00 0.00 34.95 32.15 1wcq s ARG 611 CO 0.06 0.65 0.01 0.00 0.02 0.00 0.00 175.30 176.04 1wcq s ALA 612 N -0.88 2.00 0.14 2.13 0.00 0.01 -4.99 121.76 120.17 1wcq s ALA 612 Ca 0.22 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.56 1wcq s ALA 612 Cb -0.16 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1wcq s ALA 612 CO 0.11 -1.42 0.16 0.14 0.00 0.00 0.00 175.76 174.75 1wcq s VAL 613 N 1.37 4.69 -0.01 0.00 -7.23 -1.26 -1.43 120.40 116.53 1wcq s VAL 613 Ca 0.02 -0.93 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 1wcq s VAL 613 Cb -0.18 -3.38 0.03 0.00 0.56 0.00 0.00 36.38 33.41 1wcq s VAL 613 CO -0.12 -0.06 0.34 0.72 -0.31 0.00 0.00 175.10 175.68 1wcq s PHE 614 N -1.68 -0.22 0.28 2.82 -0.12 -0.85 -4.86 117.98 113.35 1wcq s PHE 614 Ca 0.32 0.31 -0.29 0.00 -0.05 0.00 0.00 56.93 57.21 1wcq s PHE 614 Cb -0.11 0.13 -0.14 0.00 -0.63 0.00 0.00 43.02 42.27 1wcq s PHE 614 CO 0.24 -0.43 1.12 -2.30 -0.05 0.00 0.00 175.22 173.80 1wcq n PRO 615 N 1.15 1.54 -1.69 1.99 -0.02 -1.26 -4.46 135.00 132.24 1wcq n PRO 615 Ca -0.21 0.54 -0.44 0.00 -2.02 0.00 0.00 63.50 61.37 1wcq n PRO 615 Cb 0.56 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1wcq n PRO 615 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wcq n ALA 616 N 0.55 1.46 -2.76 3.55 0.00 -1.26 -4.80 120.51 117.25 1wcq n ALA 616 Ca 0.09 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1wcq n ALA 616 Cb 0.32 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.39 1wcq n ALA 616 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wcq s ARG 617 N -0.60 0.98 -0.06 0.00 1.70 0.54 -4.94 118.95 116.56 1wcq s ARG 617 Ca 0.66 -0.89 -0.26 0.00 -0.47 0.00 0.00 55.73 54.77 1wcq s ARG 617 Cb -0.61 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.14 1wcq s ARG 617 CO 0.51 -0.35 0.81 -0.51 -1.08 0.00 0.00 175.30 174.68 1wcq s ASP 618 N -2.85 7.11 0.07 -2.89 1.11 -1.26 0.22 116.67 118.18 1wcq s ASP 618 Ca 0.06 1.34 -0.12 0.00 0.18 0.00 0.00 52.55 54.01 1wcq s ASP 618 Cb 0.03 -2.47 0.01 0.00 1.07 0.00 0.00 42.92 41.57 1wcq s ASP 618 CO -0.10 -0.21 0.27 0.00 1.18 0.00 0.00 175.17 176.32 1wcq s ALA 619 N 1.07 -0.55 -0.25 5.23 0.00 -0.31 -4.75 121.76 122.21 1wcq s ALA 619 Ca 0.42 -0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.26 1wcq s ALA 619 Cb -0.19 0.43 -0.14 0.00 0.00 0.00 0.00 23.12 23.23 1wcq s ALA 619 CO 0.20 -0.48 0.34 -2.13 0.00 0.00 0.00 175.76 173.69 1wcq n ARG 620 N 0.25 1.89 -4.14 0.00 0.63 0.29 -0.81 116.66 114.75 1wcq n ARG 620 Ca -0.17 -0.05 -0.15 0.00 -0.92 0.00 0.00 57.85 56.56 1wcq n ARG 620 Cb 0.61 -1.13 -0.13 0.00 0.45 0.00 0.00 32.46 32.26 1wcq n ARG 620 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1wcq s TYR 621 N -2.38 0.66 -0.01 -0.14 2.02 -0.72 -0.37 117.35 116.42 1wcq s TYR 621 Ca -0.00 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1wcq s TYR 621 Cb 0.07 -0.41 -0.00 0.00 -0.40 0.00 0.00 41.96 41.22 1wcq s TYR 621 CO 0.44 -0.04 -0.06 -1.50 -1.57 0.00 0.00 175.55 172.82 1wcq s ILE 622 N -0.80 0.47 -0.09 2.71 2.07 -0.73 -1.40 121.20 123.43 1wcq s ILE 622 Ca -0.04 -0.24 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 1wcq s ILE 622 Cb -0.06 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.14 1wcq s ILE 622 CO 0.00 0.14 -0.14 -0.60 -1.91 0.00 0.00 174.94 172.43 1wcq s ARG 623 N -0.08 2.01 -0.26 3.50 3.52 0.44 0.14 118.95 128.23 1wcq s ARG 623 Ca 0.01 -0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 54.99 1wcq s ARG 623 Cb -0.03 -1.68 -0.05 0.00 -1.56 0.00 0.00 34.95 31.64 1wcq s ARG 623 CO -0.00 -0.01 0.23 -1.17 -0.81 0.00 0.00 175.30 173.54 1wcq s LEU 624 N 0.81 4.06 -0.37 -0.88 2.96 0.10 -1.22 118.68 124.14 1wcq s LEU 624 Ca -0.11 0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 1wcq s LEU 624 Cb -0.16 -2.20 0.03 0.00 0.50 0.00 0.00 46.19 44.37 1wcq s LEU 624 CO 0.02 -0.05 0.18 -0.69 -1.32 0.00 0.00 176.35 174.50 1wcq s VAL 625 N 1.60 4.41 -0.48 1.68 1.01 0.64 -1.41 120.40 127.85 1wcq s VAL 625 Ca 0.09 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 1wcq s VAL 625 Cb -0.15 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1wcq s VAL 625 CO 0.09 -0.21 0.95 0.00 0.00 0.00 0.00 175.10 175.92 1wcq s ALA 626 N 1.52 3.21 0.02 5.51 0.00 0.23 -0.73 121.76 131.52 1wcq s ALA 626 Ca 0.01 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.19 1wcq s ALA 626 Cb -0.19 -3.69 -0.23 0.00 0.00 0.00 0.00 23.12 19.02 1wcq s ALA 626 CO 0.06 -2.16 0.90 -0.07 0.00 0.00 0.00 175.76 174.49 1wcq h LEU 627 N 10.73 0.03 -7.91 0.00 3.38 -1.25 0.46 115.31 120.75 1wcq h LEU 627 Ca -0.24 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1wcq h LEU 627 Cb 1.07 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 1wcq h LEU 627 CO 1.05 1.04 -0.20 -0.94 0.09 0.00 0.00 178.44 179.48 1wcq s SER 628 N -6.38 -0.06 0.18 -0.43 1.04 -1.12 -4.45 113.70 102.47 1wcq s SER 628 Ca -0.03 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 55.74 1wcq s SER 628 Cb 0.09 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1wcq s SER 628 CO 0.82 -0.94 0.19 -0.70 0.98 0.00 0.00 173.24 173.60 1wcq s GLU 629 N -3.92 3.04 0.42 4.02 -6.30 -1.26 -0.01 118.70 114.68 1wcq s GLU 629 Ca 0.13 -0.84 0.13 0.00 -2.50 0.00 0.00 54.97 51.90 1wcq s GLU 629 Cb 0.02 -2.71 0.99 0.00 0.00 0.00 0.00 34.13 32.42 1wcq s GLU 629 CO -0.02 0.48 1.94 1.96 0.02 0.00 0.00 175.26 179.64 1wcq h GLN 630 N 2.15 0.46 0.00 4.30 1.08 -1.15 -2.19 115.11 119.76 1wcq h GLN 630 Ca -0.48 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 56.62 1wcq h GLN 630 Cb 1.21 -0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 28.38 1wcq h GLN 630 CO 0.64 0.31 -0.69 0.25 -0.95 0.00 0.00 178.83 178.38 1wcq n THR 631 N -4.48 1.23 -0.94 -0.54 -2.24 -1.26 -4.99 114.28 101.06 1wcq n THR 631 Ca 0.12 -2.19 0.00 0.00 -2.27 0.00 0.00 64.05 59.71 1wcq n THR 631 Cb 0.43 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1wcq n THR 631 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wcq n GLY 632 N -0.45 0.47 3.69 3.38 0.00 -0.82 -5.03 105.19 106.44 1wcq n GLY 632 Ca 0.13 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1wcq n GLY 632 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wcq s HIS 633 N -2.00 2.16 0.12 1.61 3.76 -1.26 -4.94 115.29 114.73 1wcq s HIS 633 Ca 0.00 1.02 0.05 0.00 -0.15 0.00 0.00 55.06 55.98 1wcq s HIS 633 Cb 0.00 -3.25 -0.20 0.00 1.11 0.00 0.00 32.58 30.23 1wcq s HIS 633 CO 0.00 -2.79 1.26 -0.22 -0.85 0.00 0.00 174.74 172.14 1wcq h LYS 634 N -1.82 0.06 -6.20 1.40 3.64 -1.96 -3.41 116.57 108.28 1wcq h LYS 634 Ca -0.54 -0.10 -0.60 0.00 -1.27 0.00 0.00 60.65 58.14 1wcq h LYS 634 Cb 1.32 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 1wcq h LYS 634 CO 0.57 1.03 -0.58 0.71 -2.27 0.00 0.00 179.45 178.91 1wcq s TYR 635 N -2.74 3.15 -0.02 1.91 2.02 -1.26 -3.97 117.35 116.43 1wcq s TYR 635 Ca -0.00 0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1wcq s TYR 635 Cb 0.09 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 1wcq s TYR 635 CO 0.83 0.52 -0.02 0.00 -1.57 0.00 0.00 175.55 175.31 1wcq s ALA 636 N -1.61 3.18 -0.06 3.71 0.00 -1.26 -4.35 121.76 121.37 1wcq s ALA 636 Ca 0.30 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 1wcq s ALA 636 Cb -0.11 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1wcq s ALA 636 CO 0.23 0.62 0.16 0.00 0.00 0.00 0.00 175.76 176.77 1wcq s ALA 637 N -1.00 -0.39 -0.05 0.00 0.00 -0.35 -1.20 121.76 118.78 1wcq s ALA 637 Ca 0.17 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1wcq s ALA 637 Cb -0.11 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1wcq s ALA 637 CO 0.07 -0.09 0.05 0.08 0.00 0.00 0.00 175.76 175.88 1wcq s VAL 638 N 0.22 -0.03 0.07 0.00 1.01 -0.93 -3.68 120.40 117.06 1wcq s VAL 638 Ca -0.01 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1wcq s VAL 638 Cb -0.02 -0.22 -0.16 0.00 0.00 0.00 0.00 36.38 35.98 1wcq s VAL 638 CO -0.01 0.19 1.28 0.00 0.00 0.00 0.00 175.10 176.56 1wcq h ALA 639 N 8.42 0.26 -2.90 5.51 0.00 -1.07 -0.18 119.26 129.30 1wcq h ALA 639 Ca -0.13 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.10 1wcq h ALA 639 Cb 1.12 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.65 1wcq h ALA 639 CO 0.17 0.50 -0.34 -1.21 0.00 0.00 0.00 179.25 178.37 1wcq s GLU 640 N -3.77 0.41 -0.16 0.00 0.41 -1.12 -4.27 118.70 110.20 1wcq s GLU 640 Ca -0.12 0.32 0.01 0.00 -0.41 0.00 0.00 54.97 54.77 1wcq s GLU 640 Cb 0.07 0.20 0.02 0.00 -1.78 0.00 0.00 34.13 32.64 1wcq s GLU 640 CO 0.86 -0.07 -0.17 -0.51 -0.49 0.00 0.00 175.26 174.88 1wcq s LEU 641 N -0.10 1.90 0.06 1.80 1.43 -0.15 -1.43 118.68 122.19 1wcq s LEU 641 Ca -0.02 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1wcq s LEU 641 Cb -0.03 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1wcq s LEU 641 CO 0.01 -0.02 0.01 -1.61 0.23 0.00 0.00 176.35 174.97 1wcq s GLU 642 N 1.33 2.68 -0.20 1.70 0.41 -0.70 -4.69 118.70 119.23 1wcq s GLU 642 Ca 0.03 -0.74 -0.03 0.00 -0.41 0.00 0.00 54.97 53.83 1wcq s GLU 642 Cb -0.13 -2.61 -0.01 0.00 -1.78 0.00 0.00 34.13 29.60 1wcq s GLU 642 CO -0.11 0.57 -0.06 0.08 -0.49 0.00 0.00 175.26 175.26 1wcq s VAL 643 N -1.24 3.32 -0.04 2.63 1.01 -1.26 -0.48 120.40 124.34 1wcq s VAL 643 Ca 0.24 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1wcq s VAL 643 Cb -0.12 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1wcq s VAL 643 CO 0.16 0.45 1.40 -1.61 0.00 0.00 0.00 175.10 175.49 1wcq s GLU 644 N 1.20 4.27 0.00 2.72 2.02 -0.66 -0.40 118.70 127.85 1wcq s GLU 644 Ca 0.02 1.92 0.00 0.00 0.02 0.00 0.00 54.97 56.93 1wcq s GLU 644 Cb -0.14 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.42 1wcq s GLU 644 CO -0.02 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1wcq n GLY 645 N 3.68 -0.09 3.59 -1.39 0.00 -0.55 -1.07 105.19 109.36 1wcq n GLY 645 Ca 0.14 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1wcq n GLY 645 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wcq s GLN 646 N -2.00 3.80 0.00 1.61 2.00 0.62 -4.06 119.66 121.63 1wcq s GLN 646 Ca 0.00 0.37 0.32 0.00 -2.00 0.00 0.00 55.36 54.05 1wcq s GLN 646 Cb 0.00 -3.79 1.85 0.00 0.80 0.00 0.00 33.01 31.88 1wcq s GLN 646 CO 0.00 -0.81 2.20 2.89 -0.50 0.00 0.00 175.29 179.07