#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwt s TYR 2 N 0.00 3.09 -0.05 1.12 2.02 -0.56 -4.99 117.35 117.98 1uwt s TYR 2 Ca 0.00 -2.64 -0.12 0.00 -0.37 0.00 0.00 57.07 53.94 1uwt s TYR 2 Cb 0.00 -2.54 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 1uwt s TYR 2 CO 0.00 -0.91 0.31 -1.12 -1.57 0.00 0.00 175.55 172.26 1uwt s SER 3 N 1.01 6.65 0.27 2.29 0.01 -1.26 -1.17 113.70 121.49 1uwt s SER 3 Ca 0.11 0.77 0.04 0.00 1.31 0.00 0.00 55.95 58.19 1uwt s SER 3 Cb -0.19 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1uwt s SER 3 CO -0.12 0.34 0.41 -0.36 0.41 0.00 0.00 173.24 173.92 1uwt s PHE 4 N -0.98 3.44 0.72 2.43 0.40 -0.34 -5.00 117.98 118.66 1uwt s PHE 4 Ca 0.20 0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.42 1uwt s PHE 4 Cb -0.15 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.73 1uwt s PHE 4 CO 0.10 0.34 1.09 -2.30 0.70 0.00 0.00 175.22 175.15 1uwt n PRO 5 N -1.51 0.57 0.29 0.24 -0.02 -1.26 -4.87 135.00 128.44 1uwt n PRO 5 Ca -0.08 0.25 0.15 0.00 -2.02 0.00 0.00 63.50 61.81 1uwt n PRO 5 Cb 0.57 -2.34 0.90 0.00 -0.02 0.00 0.00 33.50 32.61 1uwt n PRO 5 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1uwt h ASN 6 N -0.22 0.00 0.48 2.55 2.35 -1.97 -1.88 115.58 116.88 1uwt h ASN 6 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1uwt h ASN 6 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1uwt h ASN 6 CO 0.48 0.02 -0.45 -1.54 -1.65 0.00 0.00 177.43 174.29 1uwt n SER 7 N -3.76 0.56 -4.74 5.81 3.41 -1.26 -4.93 113.62 108.70 1uwt n SER 7 Ca -0.03 -0.32 -0.41 0.00 -0.26 0.00 0.00 58.87 57.85 1uwt n SER 7 Cb 0.11 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1uwt n SER 7 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1uwt s PHE 8 N -2.93 3.13 -0.00 7.33 2.19 -0.71 -4.96 117.98 122.03 1uwt s PHE 8 Ca 0.13 1.15 0.08 0.00 0.33 0.00 0.00 56.93 58.62 1uwt s PHE 8 Cb 0.18 -3.71 -0.02 0.00 -1.31 0.00 0.00 43.02 38.15 1uwt s PHE 8 CO 0.67 -2.24 -0.24 1.03 1.83 0.00 0.00 175.22 176.27 1uwt s ARG 9 N -0.40 2.07 -0.11 10.12 0.52 -0.89 -4.96 118.95 125.31 1uwt s ARG 9 Ca 0.57 -0.95 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 1uwt s ARG 9 Cb -0.39 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.96 1uwt s ARG 9 CO 0.42 0.55 0.06 -0.06 0.02 0.00 0.00 175.30 176.29 1uwt s PHE 10 N -0.71 3.34 0.00 -0.53 0.08 -1.26 -1.41 117.98 117.49 1uwt s PHE 10 Ca 0.11 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.47 1uwt s PHE 10 Cb -0.10 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1uwt s PHE 10 CO 0.01 0.53 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 1uwt n GLY 11 N 2.26 2.91 3.40 4.36 0.00 -0.02 -0.66 105.19 117.44 1uwt n GLY 11 Ca -0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1uwt n GLY 11 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1uwt s TRP 12 N 0.45 -0.15 0.14 1.61 -2.14 -1.10 -1.35 118.94 116.40 1uwt s TRP 12 Ca 0.00 -0.18 0.10 0.00 2.66 0.00 0.00 56.10 58.68 1uwt s TRP 12 Cb 0.00 0.31 -0.04 0.00 -3.10 0.00 0.00 33.47 30.64 1uwt s TRP 12 CO 0.00 -0.80 -0.24 -1.12 -2.66 0.00 0.00 176.95 172.13 1uwt s SER 13 N -2.84 3.09 0.22 -2.66 0.01 -0.78 -1.49 113.70 109.25 1uwt s SER 13 Ca 0.06 -0.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.38 1uwt s SER 13 Cb 0.01 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1uwt s SER 13 CO -0.08 0.12 0.57 0.00 0.41 0.00 0.00 173.24 174.26 1uwt s GLN 14 N -2.21 1.50 0.11 12.44 -2.07 -0.80 -4.23 119.66 124.40 1uwt s GLN 14 Ca 0.14 -0.93 0.10 0.00 -1.82 0.00 0.00 55.36 52.84 1uwt s GLN 14 Cb -0.09 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 1uwt s GLN 14 CO 0.06 -0.65 -0.25 0.00 -1.32 0.00 0.00 175.29 173.13 1uwt s ALA 15 N -3.90 2.22 0.06 2.60 0.00 -1.26 -4.15 121.76 117.33 1uwt s ALA 15 Ca 0.11 -1.39 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 1uwt s ALA 15 Cb -0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 23.12 22.59 1uwt s ALA 15 CO 0.01 0.50 1.61 0.78 0.00 0.00 0.00 175.76 178.65 1uwt h GLY 16 N 4.03 0.05 1.78 0.00 0.00 -1.91 -2.02 103.07 104.99 1uwt h GLY 16 Ca -0.49 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1uwt h GLY 16 CO 0.40 0.02 -0.21 -2.75 0.00 0.00 0.00 176.54 174.00 1uwt h PHE 17 N -0.09 0.29 0.03 5.60 3.57 -1.95 0.45 116.94 124.85 1uwt h PHE 17 Ca 0.01 -0.05 -0.23 0.00 3.53 0.00 0.00 57.97 61.24 1uwt h PHE 17 Cb 0.14 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1uwt h PHE 17 CO -0.03 0.47 -0.99 1.96 -2.23 0.00 0.00 178.31 177.49 1uwt h GLN 18 N 0.25 0.28 0.00 1.11 4.20 -1.79 -3.41 115.11 115.75 1uwt h GLN 18 Ca 0.04 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 1uwt h GLN 18 Cb 0.51 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1uwt h GLN 18 CO 0.03 1.07 -1.36 0.43 -0.67 0.00 0.00 178.83 178.33 1uwt n SER 19 N -3.64 3.43 -0.02 1.46 7.64 -0.77 -1.70 113.62 120.02 1uwt n SER 19 Ca -0.06 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.70 1uwt n SER 19 Cb 0.87 1.07 -0.08 0.00 -1.01 0.00 0.00 64.21 65.06 1uwt n SER 19 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1uwt h GLU 20 N 0.00 0.09 -7.29 1.43 5.08 -1.09 0.12 114.58 112.91 1uwt h GLU 20 Ca -0.06 -0.04 -0.51 0.00 -1.00 0.00 0.00 59.36 57.75 1uwt h GLU 20 Cb 0.71 -0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.05 1uwt h GLU 20 CO 0.00 0.45 0.36 -1.64 -1.00 0.00 0.00 179.01 177.18 1uwt s MET 21 N -4.69 2.94 0.00 2.33 -1.94 -1.26 -1.22 119.30 115.46 1uwt s MET 21 Ca -0.15 1.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 1uwt s MET 21 Cb 0.03 -1.99 0.00 0.00 2.01 0.00 0.00 34.83 34.89 1uwt s MET 21 CO 0.69 -1.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.00 1uwt n GLY 22 N -1.58 2.95 3.77 -0.03 0.00 -1.18 -0.57 105.19 108.55 1uwt n GLY 22 Ca 0.08 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1uwt n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uwt s THR 23 N -0.05 5.14 0.24 2.61 -4.23 -1.26 -4.71 115.64 113.38 1uwt s THR 23 Ca 0.00 0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 61.05 1uwt s THR 23 Cb 0.00 -3.75 -0.14 0.00 1.34 0.00 0.00 72.50 69.95 1uwt s THR 23 CO 0.00 0.44 1.13 -2.65 -0.54 0.00 0.00 174.62 173.00 1uwt n PRO 24 N 2.94 1.41 -0.09 3.99 -0.02 -1.26 -1.62 135.00 140.35 1uwt n PRO 24 Ca -0.11 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1uwt n PRO 24 Cb 0.52 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1uwt n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwt n GLY 25 N 1.64 0.51 0.35 -1.23 0.00 -1.26 -4.94 105.19 100.26 1uwt n GLY 25 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1uwt n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwt n SER 26 N 0.00 1.71 -4.70 1.61 3.41 -0.64 -4.99 113.62 110.01 1uwt n SER 26 Ca 0.00 -1.35 -0.42 0.00 -0.26 0.00 0.00 58.87 56.84 1uwt n SER 26 Cb 0.00 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1uwt n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1uwt s GLU 27 N -2.59 4.17 -0.43 4.33 8.01 -1.26 -4.69 118.70 126.23 1uwt s GLU 27 Ca 0.15 2.46 0.03 0.00 0.01 0.00 0.00 54.97 57.62 1uwt s GLU 27 Cb 0.17 -3.36 0.12 0.00 -4.31 0.00 0.00 34.13 26.75 1uwt s GLU 27 CO 0.65 -0.72 0.18 0.34 0.01 0.00 0.00 175.26 175.72 1uwt s ASP 28 N 1.86 4.24 0.00 -0.19 2.15 -1.26 -4.96 116.67 118.50 1uwt s ASP 28 Ca 0.75 -2.55 0.26 0.00 0.43 0.00 0.00 52.55 51.43 1uwt s ASP 28 Cb -0.44 -1.41 1.35 0.00 -0.30 0.00 0.00 42.92 42.12 1uwt s ASP 28 CO 0.33 -0.30 1.89 -0.81 -0.17 0.00 0.00 175.17 176.11 1uwt n PRO 29 N 3.70 1.22 -1.12 4.34 -0.04 -1.26 -4.50 135.00 137.34 1uwt n PRO 29 Ca 0.05 -0.33 -0.25 0.00 -0.04 0.00 0.00 63.50 62.93 1uwt n PRO 29 Cb 0.36 -1.42 0.11 0.00 -0.04 0.00 0.00 33.50 32.51 1uwt n PRO 29 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uwt n ASN 30 N -0.54 5.50 -4.43 3.54 3.02 -1.26 -4.66 115.26 116.43 1uwt n ASN 30 Ca 0.19 -3.47 -0.22 0.00 -0.03 0.00 0.00 54.58 51.05 1uwt n ASN 30 Cb 0.17 -0.90 -0.10 0.00 -0.61 0.00 0.00 39.78 38.34 1uwt n ASN 30 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1uwt s THR 31 N -3.44 2.08 0.20 3.41 -4.23 -1.26 -1.23 115.64 111.17 1uwt s THR 31 Ca 0.52 -2.28 -0.11 0.00 -1.18 0.00 0.00 61.69 58.64 1uwt s THR 31 Cb 0.42 -2.28 0.13 0.00 1.34 0.00 0.00 72.50 72.11 1uwt s THR 31 CO 0.04 -0.43 1.87 -2.24 -0.54 0.00 0.00 174.62 173.32 1uwt h ASP 32 N 2.34 0.79 -0.55 3.99 2.03 -1.32 -2.52 116.42 121.17 1uwt h ASP 32 Ca -0.40 -0.02 -0.01 0.00 -0.73 0.00 0.00 57.03 55.88 1uwt h ASP 32 Cb 1.24 -0.19 -0.03 0.00 -0.83 0.00 0.00 39.33 39.52 1uwt h ASP 32 CO 0.63 0.57 0.30 -0.50 -1.03 0.00 0.00 179.24 179.21 1uwt h TRP 33 N 0.93 0.76 -0.11 4.15 4.06 -1.92 0.18 115.95 124.00 1uwt h TRP 33 Ca 0.26 -0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.22 1uwt h TRP 33 Cb -0.09 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 27.81 1uwt h TRP 33 CO -0.03 0.55 -0.04 -0.92 -3.56 0.00 0.00 178.44 174.45 1uwt h TYR 34 N 0.74 -0.09 -0.44 0.49 5.03 -1.87 -1.45 116.97 119.39 1uwt h TYR 34 Ca 0.19 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1uwt h TYR 34 Cb 0.05 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.36 1uwt h TYR 34 CO -0.01 -0.06 0.28 -0.22 -1.32 0.00 0.00 178.16 176.82 1uwt h LYS 35 N -0.02 0.58 -0.54 1.82 3.64 -1.12 -2.32 116.57 118.62 1uwt h LYS 35 Ca 0.06 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1uwt h LYS 35 Cb 0.11 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1uwt h LYS 35 CO -0.12 0.39 0.21 2.35 -2.27 0.00 0.00 179.45 180.01 1uwt h TRP 36 N 0.59 0.38 0.00 1.91 2.91 -0.36 -1.88 115.95 119.49 1uwt h TRP 36 Ca 0.16 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.20 1uwt h TRP 36 Cb -0.05 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.51 1uwt h TRP 36 CO -0.04 0.13 -0.23 1.33 -1.03 0.00 0.00 178.44 178.60 1uwt n VAL 37 N -4.97 0.52 1.24 2.65 0.24 -0.57 -2.55 118.33 114.89 1uwt n VAL 37 Ca 0.06 -0.29 0.13 0.00 -2.04 0.00 0.00 64.34 62.21 1uwt n VAL 37 Cb 0.21 -0.42 0.45 0.00 -1.47 0.00 0.00 33.84 32.61 1uwt n VAL 37 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1uwt n HIS 38 N -2.22 0.00 -2.08 6.34 8.25 -0.89 -4.72 115.22 119.90 1uwt n HIS 38 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 1uwt n HIS 38 Cb 0.44 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 1uwt n HIS 38 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1uwt s ASP 39 N -2.60 6.72 0.25 0.41 2.15 -0.74 -4.90 116.67 117.96 1uwt s ASP 39 Ca 0.23 2.24 -0.03 0.00 0.43 0.00 0.00 52.55 55.42 1uwt s ASP 39 Cb 0.19 -2.55 0.47 0.00 -0.30 0.00 0.00 42.92 40.73 1uwt s ASP 39 CO 0.53 -0.84 1.77 -0.65 -0.17 0.00 0.00 175.17 175.81 1uwt h PRO 40 N 8.58 0.60 -0.29 4.34 0.11 -1.91 -1.22 132.00 142.21 1uwt h PRO 40 Ca -0.39 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 1uwt h PRO 40 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1uwt h PRO 40 CO 0.93 0.40 -0.31 0.93 -0.21 0.00 0.00 178.00 179.74 1uwt h GLU 41 N 0.62 0.72 -0.74 1.05 5.08 -1.97 -1.41 114.58 117.94 1uwt h GLU 41 Ca 0.43 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1uwt h GLU 41 Cb 0.56 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1uwt h GLU 41 CO -0.34 1.01 0.49 -0.91 -1.00 0.00 0.00 179.01 178.26 1uwt h ASN 42 N 0.47 0.79 -0.20 1.42 2.35 -1.79 -0.83 115.58 117.77 1uwt h ASN 42 Ca 0.04 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1uwt h ASN 42 Cb 0.89 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1uwt h ASN 42 CO 0.08 0.55 -0.13 0.24 -1.65 0.00 0.00 177.43 176.52 1uwt h MET 43 N 0.92 0.45 -0.42 0.81 2.86 -0.99 -1.61 114.93 116.94 1uwt h MET 43 Ca 0.29 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1uwt h MET 43 Cb 0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1uwt h MET 43 CO -0.08 0.76 0.10 0.00 1.06 0.00 0.00 176.91 178.75 1uwt h ALA 44 N 0.68 1.39 0.00 6.32 0.00 -0.95 -1.51 119.26 125.19 1uwt h ALA 44 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uwt h ALA 44 Cb 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1uwt h ALA 44 CO 0.04 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1uwt h ALA 45 N 1.51 1.00 -0.13 0.00 0.00 -1.08 -3.47 119.26 117.09 1uwt h ALA 45 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1uwt h ALA 45 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1uwt h ALA 45 CO -0.00 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.61 1uwt n GLY 46 N 0.52 0.57 0.21 0.00 0.00 -0.57 -4.91 105.19 101.01 1uwt n GLY 46 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1uwt n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uwt h LEU 47 N 0.00 0.20 -8.94 0.99 3.38 -1.56 -3.43 115.31 105.95 1uwt h LEU 47 Ca -0.06 -0.07 -0.58 0.00 0.09 0.00 0.00 57.88 57.27 1uwt h LEU 47 Cb 0.37 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 40.89 1uwt h LEU 47 CO 0.08 0.52 -0.80 0.68 0.09 0.00 0.00 178.44 179.02 1uwt s VAL 48 N -4.32 2.08 0.17 1.22 -7.23 -1.17 -4.13 120.40 107.01 1uwt s VAL 48 Ca -0.04 -2.01 0.22 0.00 -1.81 0.00 0.00 61.98 58.34 1uwt s VAL 48 Cb 0.14 -1.99 0.21 0.00 0.56 0.00 0.00 36.38 35.29 1uwt s VAL 48 CO 0.75 -0.25 1.82 0.77 -0.31 0.00 0.00 175.10 177.88 1uwt h SER 49 N 3.14 0.00 0.00 4.85 4.64 -1.36 -3.42 113.55 121.40 1uwt h SER 49 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1uwt h SER 49 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1uwt h SER 49 CO 0.51 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 1uwt n GLY 50 N 0.09 1.80 3.78 -0.77 0.00 -1.26 -5.04 105.19 103.78 1uwt n GLY 50 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1uwt n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uwt s ASP 51 N -1.53 5.57 -0.02 1.61 1.01 -1.26 -5.05 116.67 117.01 1uwt s ASP 51 Ca 0.00 2.07 0.05 0.00 0.71 0.00 0.00 52.55 55.38 1uwt s ASP 51 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1uwt s ASP 51 CO 0.00 -1.31 -0.18 -0.76 0.21 0.00 0.00 175.17 173.13 1uwt s LEU 52 N -4.18 2.00 0.55 1.23 1.43 -1.26 -4.93 118.68 113.51 1uwt s LEU 52 Ca 0.70 -0.33 0.33 0.00 -1.03 0.00 0.00 54.13 53.79 1uwt s LEU 52 Cb -0.21 -0.94 1.46 0.00 0.03 0.00 0.00 46.19 46.52 1uwt s LEU 52 CO 0.32 0.20 2.03 1.55 0.23 0.00 0.00 176.35 180.68 1uwt h PRO 53 N 5.85 0.00 0.00 1.29 0.13 -1.96 -2.18 132.00 135.13 1uwt h PRO 53 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1uwt h PRO 53 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1uwt h PRO 53 CO 0.48 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.45 1uwt n GLU 54 N -3.19 0.09 -0.76 0.86 0.00 -1.26 -1.73 120.64 114.64 1uwt n GLU 54 Ca -0.00 0.41 0.00 0.00 0.00 0.00 0.00 57.16 57.57 1uwt n GLU 54 Cb 0.28 -1.70 0.28 0.00 0.00 0.00 0.00 31.44 30.30 1uwt n GLU 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1uwt n ASN 55 N -1.87 4.48 -2.56 -1.84 5.03 -0.82 -3.08 115.26 114.60 1uwt n ASN 55 Ca 0.02 -2.85 0.00 0.00 0.87 0.00 0.00 54.58 52.62 1uwt n ASN 55 Cb 0.14 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.22 1uwt n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uwt n GLY 56 N 0.21 -1.06 0.10 7.41 0.00 -0.70 -4.87 105.19 106.28 1uwt n GLY 56 Ca 0.27 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.79 1uwt n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uwt n PRO 57 N -0.51 0.24 -2.63 1.61 -0.04 -1.04 -4.24 135.00 128.38 1uwt n PRO 57 Ca 0.00 0.24 -0.05 0.00 -0.04 0.00 0.00 63.50 63.66 1uwt n PRO 57 Cb 0.00 -1.80 0.02 0.00 -0.04 0.00 0.00 33.50 31.67 1uwt n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uwt n GLY 58 N 1.08 0.56 0.27 0.55 0.00 0.26 -4.87 105.19 103.03 1uwt n GLY 58 Ca 0.05 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1uwt n GLY 58 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1uwt h TYR 59 N -0.53 0.18 -0.37 1.61 3.20 -0.29 -0.76 116.97 120.01 1uwt h TYR 59 Ca -0.12 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.83 1uwt h TYR 59 Cb 1.08 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 39.21 1uwt h TYR 59 CO 0.10 0.15 -0.18 2.35 -1.64 0.00 0.00 178.16 178.95 1uwt h TRP 60 N 0.19 -0.44 0.05 -3.82 2.91 -1.37 -1.19 115.95 112.28 1uwt h TRP 60 Ca 0.05 0.04 -0.27 0.00 1.13 0.00 0.00 58.89 59.84 1uwt h TRP 60 Cb 0.05 0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 1uwt h TRP 60 CO 0.00 -0.26 -1.41 0.78 -1.03 0.00 0.00 178.44 176.53 1uwt h GLY 61 N -0.11 0.13 -1.81 2.65 0.00 -1.75 -3.40 103.07 98.77 1uwt h GLY 61 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1uwt h GLY 61 CO -0.44 0.29 0.00 0.70 0.00 0.00 0.00 176.54 177.09 1uwt n ASN 62 N -3.32 3.82 -0.20 0.19 3.02 -0.30 -4.69 115.26 113.77 1uwt n ASN 62 Ca -0.11 -2.62 0.22 0.00 -0.03 0.00 0.00 54.58 52.03 1uwt n ASN 62 Cb 1.01 -0.46 0.59 0.00 -0.61 0.00 0.00 39.78 40.31 1uwt n ASN 62 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1uwt h TYR 63 N 2.31 0.34 -0.61 3.10 -0.00 -1.43 -1.84 116.97 118.84 1uwt h TYR 63 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 1uwt h TYR 63 Cb 1.26 -0.10 -0.03 0.00 -0.00 0.00 0.00 36.73 37.85 1uwt h TYR 63 CO 0.49 0.09 0.34 0.87 -0.00 0.00 0.00 178.16 179.95 1uwt h LYS 64 N 0.26 0.85 -0.56 0.10 1.57 -1.87 -0.46 116.57 116.47 1uwt h LYS 64 Ca 0.44 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1uwt h LYS 64 Cb 1.29 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1uwt h LYS 64 CO -0.11 0.65 0.36 1.15 -0.57 0.00 0.00 179.45 180.93 1uwt h THR 65 N 0.83 1.15 -0.10 -0.16 2.02 -1.72 0.12 112.91 115.05 1uwt h THR 65 Ca 0.22 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1uwt h THR 65 Cb 0.04 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1uwt h THR 65 CO -0.04 0.14 -0.07 -0.26 0.37 0.00 0.00 175.52 175.67 1uwt h PHE 66 N 0.76 -0.17 -0.46 3.16 -1.00 -1.23 -1.79 116.94 116.20 1uwt h PHE 66 Ca 0.20 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.93 1uwt h PHE 66 Cb -0.08 0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1uwt h PHE 66 CO -0.03 -0.11 0.00 0.45 -1.61 0.00 0.00 178.31 177.01 1uwt h HIS 67 N -0.08 0.79 -0.50 -0.55 3.86 -0.87 -1.15 115.15 116.66 1uwt h HIS 67 Ca 0.06 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1uwt h HIS 67 Cb 0.17 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1uwt h HIS 67 CO -0.19 0.74 0.29 -0.44 0.86 0.00 0.00 177.93 179.19 1uwt h ASP 68 N 0.70 0.47 -0.42 2.45 3.32 -0.39 -1.23 116.42 121.32 1uwt h ASP 68 Ca 0.14 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 1uwt h ASP 68 Cb 0.43 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1uwt h ASP 68 CO 0.02 0.33 -0.29 0.78 -1.72 0.00 0.00 179.24 178.35 1uwt h ASN 69 N 0.58 1.00 -0.52 6.45 2.35 -0.99 -1.19 115.58 123.26 1uwt h ASN 69 Ca 0.20 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1uwt h ASN 69 Cb 0.03 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1uwt h ASN 69 CO -0.10 1.21 0.24 0.00 -1.65 0.00 0.00 177.43 177.13 1uwt h ALA 70 N 0.85 0.67 -0.02 -0.83 0.00 -0.98 -0.11 119.26 118.83 1uwt h ALA 70 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uwt h ALA 70 Cb 0.88 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1uwt h ALA 70 CO 0.08 0.25 0.01 0.37 0.00 0.00 0.00 179.25 179.96 1uwt h GLN 71 N 0.69 0.03 -0.38 0.00 4.15 -1.19 -1.34 115.11 117.07 1uwt h GLN 71 Ca 0.18 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.69 1uwt h GLN 71 Cb 0.14 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1uwt h GLN 71 CO -0.02 0.02 0.27 0.87 -1.93 0.00 0.00 178.83 178.04 1uwt h LYS 72 N 0.03 0.10 -0.00 1.69 1.57 -0.95 -0.17 116.57 118.84 1uwt h LYS 72 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uwt h LYS 72 Cb -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1uwt h LYS 72 CO -0.00 0.07 -0.01 -0.12 -0.57 0.00 0.00 179.45 178.81 1uwt n MET 73 N -4.45 0.57 -0.95 3.15 1.56 -0.08 -4.89 117.12 112.03 1uwt n MET 73 Ca 0.06 -0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1uwt n MET 73 Cb 0.38 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.26 1uwt n MET 73 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1uwt n GLY 74 N 1.23 0.46 3.78 -5.12 0.00 -0.08 -4.10 105.19 101.37 1uwt n GLY 74 Ca 0.16 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1uwt n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwt s LEU 75 N 0.00 4.21 0.00 0.99 1.43 -0.55 -4.41 118.68 120.36 1uwt s LEU 75 Ca 0.00 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1uwt s LEU 75 Cb 0.00 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1uwt s LEU 75 CO 0.00 -0.42 0.68 0.29 0.23 0.00 0.00 176.35 177.12 1uwt n LYS 76 N 0.15 1.18 -3.77 1.70 4.01 0.16 -4.65 118.16 116.95 1uwt n LYS 76 Ca 0.04 -0.90 -0.13 0.00 -0.51 0.00 0.00 58.31 56.80 1uwt n LYS 76 Cb 0.49 -0.82 -0.09 0.00 -0.51 0.00 0.00 35.03 34.10 1uwt n LYS 76 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1uwt s ILE 77 N -0.46 0.06 -0.11 -0.18 2.07 -1.20 -0.85 121.20 120.54 1uwt s ILE 77 Ca 0.00 -0.49 -0.08 0.00 -1.41 0.00 0.00 60.65 58.66 1uwt s ILE 77 Cb 0.00 -0.61 0.03 0.00 0.13 0.00 0.00 42.46 42.02 1uwt s ILE 77 CO 0.00 -0.27 0.28 0.00 -1.91 0.00 0.00 174.94 173.04 1uwt s ALA 78 N -1.35 -0.68 -0.16 1.50 0.00 -0.22 -2.70 121.76 118.14 1uwt s ALA 78 Ca -0.14 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.74 1uwt s ALA 78 Cb -0.05 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1uwt s ALA 78 CO 0.04 -0.16 -0.19 0.50 0.00 0.00 0.00 175.76 175.95 1uwt s ARG 79 N 0.56 3.08 0.25 0.00 3.00 -0.56 -1.25 118.95 124.04 1uwt s ARG 79 Ca -0.03 -0.81 0.01 0.00 -1.00 0.00 0.00 55.73 53.90 1uwt s ARG 79 Cb -0.05 -2.56 -0.04 0.00 0.00 0.00 0.00 34.95 32.30 1uwt s ARG 79 CO -0.03 -0.08 0.12 -0.51 0.00 0.00 0.00 175.30 174.80 1uwt s LEU 80 N 1.00 1.51 0.19 -0.88 1.43 -1.02 -1.91 118.68 119.01 1uwt s LEU 80 Ca -0.02 -1.43 0.09 0.00 -1.03 0.00 0.00 54.13 51.73 1uwt s LEU 80 Cb -0.15 0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 1uwt s LEU 80 CO -0.05 -0.80 -0.17 0.54 0.23 0.00 0.00 176.35 176.09 1uwt s ASN 81 N -3.29 2.77 0.19 2.29 4.22 -1.26 -0.65 114.94 119.21 1uwt s ASN 81 Ca 0.38 -0.93 -0.20 0.00 -2.14 0.00 0.00 52.86 49.97 1uwt s ASN 81 Cb 0.07 -0.17 -0.08 0.00 1.28 0.00 0.00 41.25 42.35 1uwt s ASN 81 CO 0.14 -0.06 0.69 0.68 -2.04 0.00 0.00 177.10 176.52 1uwt s VAL 82 N -2.35 4.59 -0.40 3.54 -7.23 -1.16 -4.45 120.40 112.94 1uwt s VAL 82 Ca 0.19 1.28 -0.21 0.00 -1.81 0.00 0.00 61.98 61.43 1uwt s VAL 82 Cb -0.04 -3.89 0.01 0.00 0.56 0.00 0.00 36.38 33.02 1uwt s VAL 82 CO 0.08 0.30 0.69 -1.61 -0.31 0.00 0.00 175.10 174.24 1uwt s GLU 83 N -1.75 3.50 0.23 4.82 0.41 -1.26 -4.58 118.70 120.07 1uwt s GLU 83 Ca 0.40 -0.09 -0.16 0.00 -0.41 0.00 0.00 54.97 54.71 1uwt s GLU 83 Cb -0.18 -3.88 0.27 0.00 -1.78 0.00 0.00 34.13 28.56 1uwt s GLU 83 CO 0.21 -0.92 1.51 1.87 -0.49 0.00 0.00 175.26 177.44 1uwt n TRP 84 N 6.30 0.08 -0.21 1.61 -0.00 -1.26 -0.74 117.44 123.21 1uwt n TRP 84 Ca -0.00 1.20 0.25 0.00 -0.00 0.00 0.00 57.50 58.94 1uwt n TRP 84 Cb 0.48 -0.89 0.63 0.00 -0.00 0.00 0.00 31.31 31.53 1uwt n TRP 84 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1uwt h SER 85 N 0.00 0.18 0.21 5.87 4.64 -1.88 0.47 113.55 123.05 1uwt h SER 85 Ca 0.36 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.49 1uwt h SER 85 Cb 0.60 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1uwt h SER 85 CO -0.97 0.06 -0.85 0.03 -0.87 0.00 0.00 176.83 174.23 1uwt h ARG 86 N 0.18 0.49 0.22 4.77 3.08 -1.31 -2.83 114.38 118.97 1uwt h ARG 86 Ca 0.46 -0.46 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 1uwt h ARG 86 Cb 1.50 0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.68 1uwt h ARG 86 CO -0.09 1.10 -1.62 0.82 -1.07 0.00 0.00 179.97 179.11 1uwt h ILE 87 N 0.30 1.11 -2.65 2.04 1.08 -1.05 -3.41 117.51 114.94 1uwt h ILE 87 Ca -0.06 -2.62 -0.60 0.00 -0.39 0.00 0.00 64.86 61.19 1uwt h ILE 87 Cb 1.47 2.90 -0.41 0.00 -3.07 0.00 0.00 36.82 37.70 1uwt h ILE 87 CO 0.15 0.84 -0.73 0.49 -0.69 0.00 0.00 178.15 178.21 1uwt n PHE 88 N -3.64 1.91 0.20 1.37 3.72 -0.00 0.07 117.46 121.08 1uwt n PHE 88 Ca -0.21 -3.96 0.08 0.00 -0.05 0.00 0.00 57.45 53.31 1uwt n PHE 88 Cb 1.09 -0.36 0.33 0.00 -0.94 0.00 0.00 39.48 39.60 1uwt n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1uwt h PRO 89 N 5.12 0.00 -6.11 -1.08 0.13 -1.72 -3.42 132.00 124.93 1uwt h PRO 89 Ca 0.18 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.68 1uwt h PRO 89 Cb 0.79 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.84 1uwt h PRO 89 CO 0.62 0.30 -0.58 -0.80 -0.23 0.00 0.00 178.00 177.31 1uwt s ASN 90 N -6.28 5.72 0.46 1.44 0.02 -1.26 -4.75 114.94 110.29 1uwt s ASN 90 Ca 0.02 0.07 -0.25 0.00 -1.02 0.00 0.00 52.86 51.68 1uwt s ASN 90 Cb 0.09 -1.60 -0.08 0.00 0.02 0.00 0.00 41.25 39.68 1uwt s ASN 90 CO 0.67 0.18 1.35 -0.81 0.02 0.00 0.00 177.10 178.51 1uwt n PRO 91 N 0.50 2.00 -3.66 -0.60 -0.04 -1.26 -5.02 135.00 126.92 1uwt n PRO 91 Ca -0.08 0.72 -0.34 0.00 -0.04 0.00 0.00 63.50 63.75 1uwt n PRO 91 Cb 0.52 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 1uwt n PRO 91 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uwt s LEU 92 N -2.44 4.36 0.33 1.53 1.43 -1.26 -5.05 118.68 117.58 1uwt s LEU 92 Ca 0.63 0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 54.12 1uwt s LEU 92 Cb -0.46 -2.85 -0.12 0.00 0.03 0.00 0.00 46.19 42.78 1uwt s LEU 92 CO 0.56 0.20 1.34 -0.81 0.23 0.00 0.00 176.35 177.88 1uwt n PRO 93 N 0.97 2.21 -1.68 1.29 -0.04 -1.26 -4.91 135.00 131.58 1uwt n PRO 93 Ca -0.09 0.78 -0.44 0.00 -0.04 0.00 0.00 63.50 63.70 1uwt n PRO 93 Cb 0.52 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.56 1uwt n PRO 93 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1uwt n ARG 94 N 0.81 2.13 0.00 0.54 3.00 -1.26 -5.20 116.66 116.68 1uwt n ARG 94 Ca 0.05 0.76 0.00 0.00 -0.00 0.00 0.00 57.85 58.66 1uwt n ARG 94 Cb 0.36 -2.43 0.00 0.00 0.00 0.00 0.00 32.46 30.39 1uwt n ARG 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1uwt n PRO 95 N 2.05 0.00 0.00 -0.14 -0.04 -1.26 -5.26 135.00 130.35 1uwt n PRO 95 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1uwt n PRO 95 Cb 0.32 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 1uwt n PRO 95 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1uwt n PHE 98 N 0.00 0.00 -3.68 0.54 7.35 -1.26 -5.15 117.46 115.26 1uwt n PHE 98 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 1uwt n PHE 98 Cb 0.00 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.71 1uwt n PHE 98 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1uwt s ASP 99 N 0.00 5.51 0.24 -2.13 2.15 -1.26 -4.99 116.67 116.19 1uwt s ASP 99 Ca 0.00 -1.10 0.20 0.00 0.43 0.00 0.00 52.55 52.08 1uwt s ASP 99 Cb 0.00 -1.94 0.93 0.00 -0.30 0.00 0.00 42.92 41.61 1uwt s ASP 99 CO 0.00 -0.36 1.61 -0.62 -0.17 0.00 0.00 175.17 175.62 1uwt n GLU 100 N 4.89 0.14 0.00 4.34 1.02 -1.26 -2.22 120.64 127.55 1uwt n GLU 100 Ca -0.12 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.64 1uwt n GLU 100 Cb 0.45 -1.84 0.23 0.00 -0.02 0.00 0.00 31.44 30.27 1uwt n GLU 100 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1uwt n SER 101 N -2.11 0.75 -4.73 1.62 3.41 -1.26 -4.68 113.62 106.61 1uwt n SER 101 Ca 0.01 -0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 57.65 1uwt n SER 101 Cb 0.13 0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1uwt n SER 101 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1uwt s LYS 102 N -2.85 4.46 0.09 4.33 3.01 -0.94 -4.96 119.74 122.89 1uwt s LYS 102 Ca 0.15 1.89 -0.15 0.00 -1.01 0.00 0.00 55.97 56.84 1uwt s LYS 102 Cb 0.18 -3.25 -0.11 0.00 -1.01 0.00 0.00 37.83 33.64 1uwt s LYS 102 CO 0.67 -0.15 1.38 0.37 0.51 0.00 0.00 175.35 178.13 1uwt h GLN 103 N 5.56 0.70 -6.10 1.68 4.15 -1.90 -3.45 115.11 115.74 1uwt h GLN 103 Ca -0.44 -0.42 -0.59 0.00 0.77 0.00 0.00 58.65 57.97 1uwt h GLN 103 Cb 1.21 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.90 1uwt h GLN 103 CO 0.76 1.04 -0.25 -0.51 -1.93 0.00 0.00 178.83 177.95 1uwt s ASP 104 N -6.65 6.65 -0.42 -0.69 1.11 -1.26 -4.99 116.67 110.41 1uwt s ASP 104 Ca -0.12 0.80 0.03 0.00 0.18 0.00 0.00 52.55 53.43 1uwt s ASP 104 Cb 0.08 -2.18 0.12 0.00 1.07 0.00 0.00 42.92 42.01 1uwt s ASP 104 CO 0.84 0.18 0.17 -0.69 1.18 0.00 0.00 175.17 176.85 1uwt s VAL 105 N -1.38 1.98 -0.27 -1.27 1.01 -1.26 -4.97 120.40 114.23 1uwt s VAL 105 Ca 0.32 -2.58 0.23 0.00 0.00 0.00 0.00 61.98 59.95 1uwt s VAL 105 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1uwt s VAL 105 CO 0.18 -0.74 1.04 0.35 0.00 0.00 0.00 175.10 175.92 1uwt n THR 106 N 3.80 0.56 -3.72 3.92 -2.24 -1.26 -4.89 114.28 110.45 1uwt n THR 106 Ca 0.04 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1uwt n THR 106 Cb 0.37 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 1uwt n THR 106 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1uwt s GLU 107 N -3.35 0.53 -0.13 -0.78 2.12 -1.26 -4.87 118.70 110.96 1uwt s GLU 107 Ca -0.00 0.61 -0.01 0.00 0.36 0.00 0.00 54.97 55.93 1uwt s GLU 107 Cb 0.10 0.26 0.04 0.00 0.26 0.00 0.00 34.13 34.79 1uwt s GLU 107 CO 0.79 -0.07 -0.03 0.08 -0.54 0.00 0.00 175.26 175.49 1uwt s VAL 108 N 0.20 0.81 -0.17 3.70 1.01 -1.26 -5.11 120.40 119.58 1uwt s VAL 108 Ca -0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 1uwt s VAL 108 Cb -0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 1uwt s VAL 108 CO 0.01 0.17 1.00 -1.61 0.00 0.00 0.00 175.10 174.66 1uwt s GLU 109 N 1.77 4.33 -0.05 2.72 8.01 -1.26 -4.92 118.70 129.30 1uwt s GLU 109 Ca 0.03 1.32 0.02 0.00 0.01 0.00 0.00 54.97 56.35 1uwt s GLU 109 Cb -0.14 -3.59 0.01 0.00 -4.31 0.00 0.00 34.13 26.10 1uwt s GLU 109 CO -0.07 -0.47 -0.09 0.42 0.01 0.00 0.00 175.26 175.06 1uwt s ILE 110 N 2.60 0.90 0.28 -1.63 1.01 -1.26 -5.06 121.20 118.04 1uwt s ILE 110 Ca 0.45 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1uwt s ILE 110 Cb -0.16 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1uwt s ILE 110 CO 0.12 0.30 0.30 0.54 0.00 0.00 0.00 174.94 176.20 1uwt s ASN 111 N 0.69 0.81 0.28 3.58 2.20 -1.26 -5.03 114.94 116.20 1uwt s ASN 111 Ca -0.12 -1.48 -0.07 0.00 -0.94 0.00 0.00 52.86 50.24 1uwt s ASN 111 Cb -0.15 0.53 0.47 0.00 -2.00 0.00 0.00 41.25 40.10 1uwt s ASN 111 CO 0.02 -1.06 1.52 1.21 -2.94 0.00 0.00 177.10 175.86 1uwt n GLU 112 N -0.47 -0.09 -0.12 3.55 4.07 -1.26 -1.16 120.64 125.16 1uwt n GLU 112 Ca 0.03 1.52 -0.11 0.00 -0.06 0.00 0.00 57.16 58.54 1uwt n GLU 112 Cb 0.63 -2.28 -0.03 0.00 -0.06 0.00 0.00 31.44 29.71 1uwt n GLU 112 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1uwt h ASN 113 N 0.00 0.70 -0.73 4.31 2.35 -1.99 -1.31 115.58 118.91 1uwt h ASN 113 Ca 0.48 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1uwt h ASN 113 Cb 0.75 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 1uwt h ASN 113 CO -1.00 0.92 0.34 -0.08 -1.65 0.00 0.00 177.43 175.96 1uwt h GLU 114 N 0.48 1.07 -0.71 0.81 4.81 -1.59 -1.50 114.58 117.95 1uwt h GLU 114 Ca 0.09 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1uwt h GLU 114 Cb 0.62 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1uwt h GLU 114 CO 0.04 0.84 0.16 -0.07 -0.73 0.00 0.00 179.01 179.25 1uwt h LEU 115 N 1.06 1.09 -1.25 1.64 3.38 -0.98 -1.63 115.31 118.61 1uwt h LEU 115 Ca 0.26 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1uwt h LEU 115 Cb 0.14 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1uwt h LEU 115 CO -0.03 1.05 -0.23 0.11 0.09 0.00 0.00 178.44 179.42 1uwt h LYS 116 N 1.08 0.22 -0.10 1.13 6.56 -0.85 0.17 116.57 124.77 1uwt h LYS 116 Ca 0.22 -0.07 -0.03 0.00 -1.06 0.00 0.00 60.65 59.71 1uwt h LYS 116 Cb 0.39 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1uwt h LYS 116 CO 0.01 0.45 -0.07 0.00 -2.06 0.00 0.00 179.45 177.77 1uwt h ARG 117 N 0.20 0.22 -0.77 3.15 3.08 -0.98 -3.01 114.38 116.27 1uwt h ARG 117 Ca 0.03 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.04 1uwt h ARG 117 Cb 0.53 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 1uwt h ARG 117 CO 0.04 0.61 0.45 -0.07 -1.07 0.00 0.00 179.97 179.92 1uwt h LEU 118 N -0.16 0.68 -1.96 3.04 3.38 -1.14 -1.40 115.31 117.75 1uwt h LEU 118 Ca 0.02 0.03 0.33 0.00 0.09 0.00 0.00 57.88 58.35 1uwt h LEU 118 Cb 0.55 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1uwt h LEU 118 CO 0.02 0.43 0.84 -0.78 0.09 0.00 0.00 178.44 179.04 1uwt h ASP 119 N 0.81 0.00 1.08 -0.43 3.58 -0.82 0.28 116.42 120.91 1uwt h ASP 119 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1uwt h ASP 119 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1uwt h ASP 119 CO -0.19 0.00 -0.19 1.21 -2.88 0.00 0.00 179.24 177.19 1uwt n GLU 120 N -4.11 0.15 0.02 0.28 4.07 -0.53 -2.95 120.64 117.58 1uwt n GLU 120 Ca 0.24 0.09 0.11 0.00 -0.06 0.00 0.00 57.16 57.55 1uwt n GLU 120 Cb 1.22 -1.65 -0.07 0.00 -0.06 0.00 0.00 31.44 30.88 1uwt n GLU 120 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1uwt n TYR 121 N -1.90 0.20 -2.25 4.31 4.01 0.95 -5.01 117.16 117.47 1uwt n TYR 121 Ca 0.06 0.06 -0.38 0.00 -0.16 0.00 0.00 57.90 57.47 1uwt n TYR 121 Cb 0.39 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1uwt n TYR 121 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uwt s ALA 122 N -3.29 3.17 -0.29 -0.72 0.00 -1.11 -4.82 121.76 114.70 1uwt s ALA 122 Ca -0.00 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 1uwt s ALA 122 Cb 0.14 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1uwt s ALA 122 CO 0.85 -0.58 1.08 1.21 0.00 0.00 0.00 175.76 178.32 1uwt s ASN 123 N -1.06 6.98 0.17 0.00 3.84 0.11 -4.92 114.94 120.06 1uwt s ASN 123 Ca 0.57 1.18 0.05 0.00 0.21 0.00 0.00 52.86 54.87 1uwt s ASN 123 Cb -0.32 -2.54 0.01 0.00 -0.55 0.00 0.00 41.25 37.85 1uwt s ASN 123 CO 0.40 -0.82 1.40 0.11 -2.79 0.00 0.00 177.10 175.40 1uwt h LYS 124 N 7.92 0.10 -0.67 0.43 1.79 -1.93 -2.31 116.57 121.89 1uwt h LYS 124 Ca -0.20 -0.11 0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1uwt h LYS 124 Cb 1.06 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 1uwt h LYS 124 CO 1.01 0.90 0.45 -0.44 -1.08 0.00 0.00 179.45 180.29 1uwt h ASP 125 N 0.05 0.77 -0.23 0.86 3.32 -1.97 0.22 116.42 119.45 1uwt h ASP 125 Ca -0.03 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1uwt h ASP 125 Cb 1.50 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1uwt h ASP 125 CO 0.12 0.56 -0.01 0.00 -1.72 0.00 0.00 179.24 178.19 1uwt h ALA 126 N 1.25 0.31 -0.36 3.45 0.00 -1.85 -1.60 119.26 120.46 1uwt h ALA 126 Ca 0.25 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1uwt h ALA 126 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1uwt h ALA 126 CO -0.05 0.06 0.17 1.25 0.00 0.00 0.00 179.25 180.68 1uwt h LEU 127 N 0.18 0.25 -0.75 0.00 5.85 -1.32 -1.44 115.31 118.08 1uwt h LEU 127 Ca 0.06 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1uwt h LEU 127 Cb 0.44 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1uwt h LEU 127 CO 0.01 0.18 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.02 1uwt h ASN 128 N 0.36 0.80 0.09 1.25 -1.24 -0.94 -1.68 115.58 114.21 1uwt h ASN 128 Ca 0.15 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.90 1uwt h ASN 128 Cb 0.07 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.91 1uwt h ASN 128 CO -0.11 0.95 -0.04 -0.74 -1.29 0.00 0.00 177.43 176.20 1uwt h HIS 129 N 0.72 -0.11 -0.74 0.67 2.76 -1.06 0.10 115.15 117.49 1uwt h HIS 129 Ca 0.11 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.40 1uwt h HIS 129 Cb 0.64 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 29.56 1uwt h HIS 129 CO 0.03 0.03 0.34 1.88 -1.30 0.00 0.00 177.93 178.91 1uwt h TYR 130 N -0.23 0.60 -0.72 5.26 0.05 -1.24 0.76 116.97 121.44 1uwt h TYR 130 Ca -0.01 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1uwt h TYR 130 Cb 0.19 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 1uwt h TYR 130 CO -0.04 0.15 0.42 -0.09 -1.05 0.00 0.00 178.16 177.56 1uwt h ARG 131 N 0.54 0.76 -0.78 4.88 2.43 -1.00 0.94 114.38 122.15 1uwt h ARG 131 Ca 0.39 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 1uwt h ARG 131 Cb 0.51 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1uwt h ARG 131 CO -0.33 0.50 0.30 0.93 -1.51 0.00 0.00 179.97 179.85 1uwt h GLU 132 N 0.78 1.17 -0.00 0.20 5.08 0.42 -0.91 114.58 121.32 1uwt h GLU 132 Ca 0.31 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1uwt h GLU 132 Cb 0.16 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1uwt h GLU 132 CO -0.17 0.95 0.00 0.82 -1.00 0.00 0.00 179.01 179.62 1uwt h ILE 133 N 1.13 1.24 -0.12 3.13 2.04 -0.29 -2.59 117.51 122.05 1uwt h ILE 133 Ca 0.26 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1uwt h ILE 133 Cb 0.23 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1uwt h ILE 133 CO -0.02 0.18 -0.27 -0.26 0.00 0.00 0.00 178.15 177.79 1uwt h PHE 134 N -0.29 0.23 -0.42 1.37 0.04 -0.76 -0.78 116.94 116.32 1uwt h PHE 134 Ca 0.00 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 1uwt h PHE 134 Cb 0.30 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1uwt h PHE 134 CO 0.03 0.47 -0.28 0.87 -0.60 0.00 0.00 178.31 178.80 1uwt h LYS 135 N 0.19 0.93 -0.50 1.51 1.57 -1.15 -0.98 116.57 118.14 1uwt h LYS 135 Ca 0.03 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 1uwt h LYS 135 Cb 0.58 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1uwt h LYS 135 CO 0.04 1.10 -0.03 0.22 -0.57 0.00 0.00 179.45 180.21 1uwt h ASP 136 N 0.76 0.85 0.33 0.86 3.58 -1.04 -1.18 116.42 120.57 1uwt h ASP 136 Ca 0.08 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 1uwt h ASP 136 Cb 0.86 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 1uwt h ASP 136 CO 0.08 0.93 -0.30 0.25 -2.88 0.00 0.00 179.24 177.32 1uwt h LEU 137 N 0.80 -0.79 -1.72 2.28 5.85 -0.95 -2.70 115.31 118.08 1uwt h LEU 137 Ca 0.15 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1uwt h LEU 137 Cb 0.52 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1uwt h LEU 137 CO 0.03 -0.43 0.29 0.11 -0.34 0.00 0.00 178.44 178.09 1uwt h LYS 138 N -0.65 0.34 0.00 1.25 1.79 -0.95 -1.75 116.57 116.60 1uwt h LYS 138 Ca -0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1uwt h LYS 138 Cb 0.58 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1uwt h LYS 138 CO -0.04 0.23 0.00 0.66 -1.08 0.00 0.00 179.45 179.22 1uwt h SER 139 N 0.35 0.00 -0.42 0.86 4.64 -0.90 -2.58 113.55 115.50 1uwt h SER 139 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1uwt h SER 139 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1uwt h SER 139 CO -0.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.46 1uwt n ARG 140 N -3.02 3.89 -1.08 4.77 1.74 -0.66 -4.91 116.66 117.39 1uwt n ARG 140 Ca 0.01 -2.32 -0.03 0.00 -0.77 0.00 0.00 57.85 54.74 1uwt n ARG 140 Cb 0.31 -2.07 -0.01 0.00 -1.02 0.00 0.00 32.46 29.67 1uwt n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uwt n GLY 141 N 0.46 0.59 3.64 -0.13 0.00 -0.97 -4.83 105.19 103.95 1uwt n GLY 141 Ca 0.20 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1uwt n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwt s LEU 142 N -0.61 4.09 0.35 0.99 1.43 -1.22 -4.75 118.68 118.97 1uwt s LEU 142 Ca 0.00 0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 53.77 1uwt s LEU 142 Cb 0.00 -3.10 -0.11 0.00 0.03 0.00 0.00 46.19 43.02 1uwt s LEU 142 CO 0.00 -0.46 1.42 -0.47 0.23 0.00 0.00 176.35 177.07 1uwt s TYR 143 N 2.67 2.78 -0.22 0.29 5.04 -0.03 -4.42 117.35 123.45 1uwt s TYR 143 Ca 0.33 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 56.22 1uwt s TYR 143 Cb -0.15 -3.89 0.04 0.00 0.35 0.00 0.00 41.96 38.31 1uwt s TYR 143 CO 0.08 -2.57 -0.14 0.12 -1.34 0.00 0.00 175.55 171.70 1uwt s PHE 144 N -1.07 2.94 -0.34 4.97 5.36 -1.26 -1.05 117.98 127.54 1uwt s PHE 144 Ca 0.52 -1.96 -0.14 0.00 -0.96 0.00 0.00 56.93 54.39 1uwt s PHE 144 Cb -0.44 -1.87 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 1uwt s PHE 144 CO 0.58 -0.83 0.28 0.42 -1.46 0.00 0.00 175.22 174.22 1uwt s ILE 145 N 1.22 5.24 -0.26 3.12 1.01 -0.38 -0.93 121.20 130.22 1uwt s ILE 145 Ca -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 1uwt s ILE 145 Cb -0.17 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1uwt s ILE 145 CO -0.08 -0.02 0.16 -0.22 0.00 0.00 0.00 174.94 174.78 1uwt s LEU 146 N 1.84 3.99 -0.11 2.97 2.96 0.13 -2.42 118.68 128.04 1uwt s LEU 146 Ca 0.08 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1uwt s LEU 146 Cb -0.17 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1uwt s LEU 146 CO 0.11 -0.00 0.25 0.21 -1.32 0.00 0.00 176.35 175.59 1uwt s ASN 147 N 1.47 6.49 0.23 3.68 2.47 0.17 -0.26 114.94 129.20 1uwt s ASN 147 Ca 0.07 0.58 0.14 0.00 0.42 0.00 0.00 52.86 54.07 1uwt s ASN 147 Cb -0.15 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 1uwt s ASN 147 CO 0.08 0.28 1.34 0.24 -3.72 0.00 0.00 177.10 175.32 1uwt h MET 148 N 5.56 0.00 -2.58 0.43 2.86 -1.05 -3.08 114.93 117.07 1uwt h MET 148 Ca -0.49 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.04 1uwt h MET 148 Cb 1.20 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.59 1uwt h MET 148 CO 0.66 0.53 -0.35 -0.47 1.06 0.00 0.00 176.91 178.34 1uwt s TYR 149 N -2.93 -0.70 -0.31 -0.22 5.04 -1.10 -4.62 117.35 112.51 1uwt s TYR 149 Ca 0.03 1.40 0.18 0.00 -2.44 0.00 0.00 57.07 56.24 1uwt s TYR 149 Cb 0.08 0.27 0.47 0.00 0.35 0.00 0.00 41.96 43.13 1uwt s TYR 149 CO 0.76 -0.42 0.99 1.58 -1.34 0.00 0.00 175.55 177.12 1uwt n HIS 150 N 4.98 1.28 0.00 4.97 -0.00 -1.26 -0.53 115.22 124.66 1uwt n HIS 150 Ca -0.14 -2.67 0.00 0.00 0.46 0.00 0.00 57.72 55.37 1uwt n HIS 150 Cb 0.52 -0.34 0.00 0.00 -0.12 0.00 0.00 29.99 30.05 1uwt n HIS 150 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 1uwt n TRP 151 N -0.19 0.00 -1.93 1.57 8.01 -1.26 -4.87 117.44 118.78 1uwt n TRP 151 Ca 0.10 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.88 1uwt n TRP 151 Cb 0.81 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.09 1uwt n TRP 151 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1uwt s PRO 152 N 0.00 4.21 0.05 -0.99 0.02 -1.26 -4.94 135.00 132.09 1uwt s PRO 152 Ca 0.00 2.41 0.04 0.00 0.02 0.00 0.00 61.00 63.46 1uwt s PRO 152 Cb 0.00 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 1uwt s PRO 152 CO 0.00 -0.48 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.67 1uwt s LEU 153 N -0.72 3.42 0.31 -5.54 1.43 -1.26 -4.80 118.68 111.52 1uwt s LEU 153 Ca 0.59 -0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 53.28 1uwt s LEU 153 Cb -0.44 -2.07 -0.13 0.00 0.03 0.00 0.00 46.19 43.58 1uwt s LEU 153 CO 0.48 0.22 1.14 -2.65 0.23 0.00 0.00 176.35 175.77 1uwt n PRO 154 N 0.97 1.69 0.20 1.29 -0.02 -1.26 -1.13 135.00 136.74 1uwt n PRO 154 Ca -0.13 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1uwt n PRO 154 Cb 0.52 -2.06 0.69 0.00 -0.02 0.00 0.00 33.50 32.63 1uwt n PRO 154 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1uwt h LEU 155 N 2.29 0.00 -0.34 2.45 3.38 -1.37 -0.43 115.31 121.28 1uwt h LEU 155 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1uwt h LEU 155 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1uwt h LEU 155 CO 0.62 0.00 0.00 -2.67 0.09 0.00 0.00 178.44 176.48 1uwt n TRP 156 N -4.39 0.36 0.13 1.13 4.27 -1.26 -2.27 117.44 115.41 1uwt n TRP 156 Ca 0.00 0.15 0.08 0.00 -3.89 0.00 0.00 57.50 53.84 1uwt n TRP 156 Cb 0.23 -0.74 -0.12 0.00 -1.36 0.00 0.00 31.31 29.32 1uwt n TRP 156 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1uwt n LEU 157 N -1.83 0.14 -3.51 5.67 4.77 -0.20 -4.82 117.00 117.20 1uwt n LEU 157 Ca 0.03 -0.09 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1uwt n LEU 157 Cb 0.18 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1uwt n LEU 157 CO 0.15 0.03 0.09 -2.28 -1.33 0.00 0.00 177.39 174.06 1uwt s HIS 158 N -3.02 -1.07 -0.48 -1.77 5.04 -0.96 -1.04 115.29 111.98 1uwt s HIS 158 Ca -0.04 1.62 -0.12 0.00 -1.54 0.00 0.00 55.06 54.99 1uwt s HIS 158 Cb 0.11 0.42 0.11 0.00 0.04 0.00 0.00 32.58 33.26 1uwt s HIS 158 CO 0.68 -0.64 0.38 0.34 -2.34 0.00 0.00 174.74 173.16 1uwt s ASP 159 N 2.71 5.89 0.38 9.88 -1.08 -0.54 -4.33 116.67 129.58 1uwt s ASP 159 Ca 0.04 -1.75 0.19 0.00 -0.52 0.00 0.00 52.55 50.51 1uwt s ASP 159 Cb -0.13 -2.09 0.68 0.00 -1.46 0.00 0.00 42.92 39.92 1uwt s ASP 159 CO -0.16 -0.71 1.73 1.55 0.52 0.00 0.00 175.17 178.10 1uwt h PRO 160 N 8.61 0.00 -0.13 4.34 0.13 -1.87 -3.02 132.00 140.06 1uwt h PRO 160 Ca -0.25 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.70 1uwt h PRO 160 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.23 1uwt h PRO 160 CO 0.90 0.37 -0.64 0.82 -0.23 0.00 0.00 178.00 179.22 1uwt h ILE 161 N 0.00 1.32 -0.33 -3.56 1.08 -1.93 -0.43 117.51 113.66 1uwt h ILE 161 Ca -0.00 -1.90 0.07 0.00 -0.39 0.00 0.00 64.86 62.64 1uwt h ILE 161 Cb 0.90 2.09 -0.07 0.00 -3.07 0.00 0.00 36.82 36.67 1uwt h ILE 161 CO 0.05 0.59 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.86 1uwt h ARG 162 N 0.33 -0.08 -0.55 2.37 2.43 -1.88 -1.35 114.38 115.65 1uwt h ARG 162 Ca -0.04 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1uwt h ARG 162 Cb 1.28 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 1uwt h ARG 162 CO 0.13 -0.05 0.11 0.28 -1.51 0.00 0.00 179.97 178.93 1uwt h VAL 163 N -0.08 1.25 -0.86 0.20 2.07 -1.49 -1.74 116.25 115.60 1uwt h VAL 163 Ca 0.17 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.92 1uwt h VAL 163 Cb 0.34 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 30.81 1uwt h VAL 163 CO -0.39 0.33 0.46 -0.09 0.02 0.00 0.00 177.57 177.90 1uwt h ARG 164 N 0.78 0.64 0.00 1.57 2.43 -0.84 0.35 114.38 119.31 1uwt h ARG 164 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1uwt h ARG 164 Cb 0.37 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1uwt h ARG 164 CO 0.01 0.42 0.00 0.54 -1.51 0.00 0.00 179.97 179.43 1uwt n ARG 165 N -4.84 0.35 -0.51 0.20 1.74 -0.53 -4.85 116.66 108.21 1uwt n ARG 165 Ca 0.17 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1uwt n ARG 165 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1uwt n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uwt n GLY 166 N 0.18 0.71 3.46 -0.13 0.00 0.11 -5.04 105.19 104.48 1uwt n GLY 166 Ca 0.10 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1uwt n GLY 166 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uwt s ASP 167 N -2.25 5.90 -0.11 1.61 2.15 -0.69 -4.96 116.67 118.32 1uwt s ASP 167 Ca 0.00 -0.67 0.17 0.00 0.43 0.00 0.00 52.55 52.48 1uwt s ASP 167 Cb 0.00 -2.09 0.66 0.00 -0.30 0.00 0.00 42.92 41.19 1uwt s ASP 167 CO 0.00 -0.31 1.58 0.49 -0.17 0.00 0.00 175.17 176.76 1uwt n PHE 168 N 5.07 1.33 1.11 -5.34 3.72 -1.26 -3.61 117.46 118.49 1uwt n PHE 168 Ca -0.12 -0.63 0.13 0.00 -0.05 0.00 0.00 57.45 56.78 1uwt n PHE 168 Cb 0.48 -0.23 0.49 0.00 -0.94 0.00 0.00 39.48 39.28 1uwt n PHE 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1uwt n THR 169 N 0.91 0.00 -2.81 4.37 -2.24 -1.26 -4.91 114.28 108.35 1uwt n THR 169 Ca 0.24 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1uwt n THR 169 Cb 0.85 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1uwt n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uwt n GLY 170 N 1.44 2.51 3.66 3.38 0.00 -1.26 -5.04 105.19 109.87 1uwt n GLY 170 Ca 0.09 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1uwt n GLY 170 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uwt s PRO 171 N -0.33 4.18 -0.13 1.61 0.02 -1.26 -4.90 135.00 134.18 1uwt s PRO 171 Ca 0.00 2.26 0.16 0.00 0.02 0.00 0.00 61.00 63.44 1uwt s PRO 171 Cb 0.00 -3.95 0.40 0.00 0.02 0.00 0.00 34.50 30.97 1uwt s PRO 171 CO 0.00 -0.84 1.30 -1.13 -0.33 0.00 0.00 177.00 176.00 1uwt n SER 172 N 6.94 3.22 0.00 2.53 3.41 -1.14 -1.47 113.62 127.11 1uwt n SER 172 Ca 0.17 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 1uwt n SER 172 Cb 0.42 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1uwt n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwt n GLY 173 N -0.65 3.27 0.00 5.00 0.00 -0.21 -1.71 105.19 110.89 1uwt n GLY 173 Ca 0.17 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1uwt n GLY 173 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1uwt n TRP 174 N 14.00 0.00 1.11 1.61 7.02 -1.26 -1.84 117.44 138.08 1uwt n TRP 174 Ca 0.00 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.62 1uwt n TRP 174 Cb 0.00 -0.14 0.65 0.00 -2.42 0.00 0.00 31.31 29.40 1uwt n TRP 174 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1uwt n LEU 175 N -1.14 0.00 -4.30 -0.99 4.77 -0.69 -4.26 117.00 110.39 1uwt n LEU 175 Ca 0.08 0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 56.17 1uwt n LEU 175 Cb 0.07 -0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 40.58 1uwt n LEU 175 CO 0.08 -0.01 -0.52 -0.55 -1.33 0.00 0.00 177.39 175.07 1uwt s SER 176 N -2.86 3.46 0.53 -1.43 0.15 -0.77 -4.96 113.70 107.83 1uwt s SER 176 Ca 0.18 -0.44 0.36 0.00 0.70 0.00 0.00 55.95 56.75 1uwt s SER 176 Cb 0.19 -1.28 1.91 0.00 -1.71 0.00 0.00 66.02 65.13 1uwt s SER 176 CO 0.49 0.20 2.09 0.71 1.20 0.00 0.00 173.24 177.93 1uwt h THR 177 N 5.32 0.00 -0.71 6.45 1.35 -1.87 -2.35 112.91 121.10 1uwt h THR 177 Ca -0.27 -0.03 0.01 0.00 -0.55 0.00 0.00 66.41 65.57 1uwt h THR 177 Cb 1.21 0.83 -0.04 0.00 -1.73 0.00 0.00 68.15 68.42 1uwt h THR 177 CO 0.50 0.00 0.47 -0.09 -0.25 0.00 0.00 175.52 176.15 1uwt h ARG 178 N 0.00 0.93 -0.49 4.72 9.65 -1.91 -1.20 114.38 126.08 1uwt h ARG 178 Ca 0.00 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 1uwt h ARG 178 Cb 0.03 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 1uwt h ARG 178 CO 0.00 0.62 -0.12 1.15 2.80 0.00 0.00 179.97 184.42 1uwt h THR 179 N 0.96 1.26 -0.29 0.20 2.02 -1.65 -1.11 112.91 114.30 1uwt h THR 179 Ca 0.26 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1uwt h THR 179 Cb -0.10 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1uwt h THR 179 CO -0.06 0.43 0.19 0.58 0.37 0.00 0.00 175.52 177.03 1uwt h VAL 180 N 0.81 1.06 0.10 3.16 2.07 -1.43 0.25 116.25 122.27 1uwt h VAL 180 Ca 0.13 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1uwt h VAL 180 Cb 0.65 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1uwt h VAL 180 CO 0.05 0.07 -0.05 0.22 0.02 0.00 0.00 177.57 177.88 1uwt h TYR 181 N 0.38 -0.12 -0.04 1.57 3.20 -1.02 -2.21 116.97 118.73 1uwt h TYR 181 Ca 0.11 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1uwt h TYR 181 Cb -0.04 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1uwt h TYR 181 CO -0.06 0.01 -0.33 0.93 -1.64 0.00 0.00 178.16 177.07 1uwt h GLU 182 N -0.24 0.07 -0.20 1.82 4.39 -1.10 -2.86 114.58 116.46 1uwt h GLU 182 Ca -0.01 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1uwt h GLU 182 Cb 0.19 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1uwt h GLU 182 CO 0.02 0.40 -0.01 0.35 -1.16 0.00 0.00 179.01 178.61 1uwt h PHE 183 N 0.06 0.40 -0.69 4.33 3.57 -0.62 0.21 116.94 124.20 1uwt h PHE 183 Ca 0.01 -0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.57 1uwt h PHE 183 Cb 0.62 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 1uwt h PHE 183 CO 0.00 0.57 0.21 0.00 -2.23 0.00 0.00 178.31 176.86 1uwt h ALA 184 N 0.78 0.91 -0.21 2.41 0.00 -1.34 0.03 119.26 121.84 1uwt h ALA 184 Ca 0.06 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1uwt h ALA 184 Cb 0.41 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1uwt h ALA 184 CO 0.01 -0.27 -0.17 0.00 0.00 0.00 0.00 179.25 178.82 1uwt h ARG 185 N 0.34 0.48 -0.57 0.00 3.08 -1.25 -1.88 114.38 114.58 1uwt h ARG 185 Ca 0.38 -0.24 0.09 0.00 0.07 0.00 0.00 59.98 60.28 1uwt h ARG 185 Cb 0.58 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 1uwt h ARG 185 CO -0.42 0.80 0.19 0.35 -1.07 0.00 0.00 179.97 179.82 1uwt h PHE 186 N 0.16 0.32 -0.36 3.04 3.57 -0.25 -0.14 116.94 123.28 1uwt h PHE 186 Ca 0.04 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1uwt h PHE 186 Cb 0.70 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1uwt h PHE 186 CO 0.07 0.07 -0.24 0.77 -2.23 0.00 0.00 178.31 176.76 1uwt h SER 187 N 0.36 0.84 -0.82 0.41 0.02 -0.87 -0.75 113.55 112.74 1uwt h SER 187 Ca 0.29 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1uwt h SER 187 Cb 0.36 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1uwt h SER 187 CO -0.31 1.09 0.53 0.00 -1.14 0.00 0.00 176.83 177.00 1uwt h ALA 188 N 0.78 1.03 -0.65 3.77 0.00 -1.23 -2.07 119.26 120.90 1uwt h ALA 188 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1uwt h ALA 188 Cb 0.80 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1uwt h ALA 188 CO 0.07 0.46 0.29 -0.92 0.00 0.00 0.00 179.25 179.14 1uwt h TYR 189 N 1.11 0.96 -0.22 0.00 5.03 -0.53 -0.84 116.97 122.47 1uwt h TYR 189 Ca 0.30 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.48 1uwt h TYR 189 Cb -0.11 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 37.87 1uwt h TYR 189 CO -0.01 0.73 -0.15 0.82 -1.32 0.00 0.00 178.16 178.23 1uwt h ILE 190 N 0.90 1.31 -0.97 1.81 1.08 -0.98 -0.55 117.51 120.12 1uwt h ILE 190 Ca 0.22 -1.26 0.07 0.00 -0.39 0.00 0.00 64.86 63.50 1uwt h ILE 190 Cb 0.15 1.65 -0.07 0.00 -3.07 0.00 0.00 36.82 35.48 1uwt h ILE 190 CO -0.02 0.39 0.63 0.00 -0.69 0.00 0.00 178.15 178.45 1uwt h ALA 191 N 0.69 1.44 -0.61 1.87 0.00 -1.23 0.21 119.26 121.63 1uwt h ALA 191 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uwt h ALA 191 Cb 0.67 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1uwt h ALA 191 CO 0.04 0.41 0.33 2.35 0.00 0.00 0.00 179.25 182.38 1uwt h TRP 192 N 1.12 0.85 0.01 0.00 7.01 -0.71 0.39 115.95 124.63 1uwt h TRP 192 Ca 0.42 -0.02 -0.20 0.00 2.11 0.00 0.00 58.89 61.20 1uwt h TRP 192 Cb 0.19 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1uwt h TRP 192 CO -0.00 0.62 -0.92 0.87 -2.79 0.00 0.00 178.44 176.22 1uwt h LYS 193 N 0.83 0.10 -0.03 2.65 1.79 -0.17 -3.39 116.57 118.35 1uwt h LYS 193 Ca 0.22 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1uwt h LYS 193 Cb 0.05 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1uwt h LYS 193 CO -0.03 0.94 0.00 1.19 -1.08 0.00 0.00 179.45 180.47 1uwt n PHE 194 N -3.55 0.03 -0.09 -1.35 3.72 0.64 -4.73 117.46 112.12 1uwt n PHE 194 Ca -0.02 -0.12 0.24 0.00 -0.05 0.00 0.00 57.45 57.49 1uwt n PHE 194 Cb 0.85 -0.01 0.69 0.00 -0.94 0.00 0.00 39.48 40.07 1uwt n PHE 194 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1uwt h ASP 195 N 0.58 0.03 0.36 4.37 3.58 -1.12 0.13 116.42 124.35 1uwt h ASP 195 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1uwt h ASP 195 Cb 0.23 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1uwt h ASP 195 CO 0.00 0.01 -0.07 -2.24 -2.88 0.00 0.00 179.24 174.06 1uwt h ASP 196 N 0.03 0.00 0.00 2.28 2.03 -1.85 -3.09 116.42 115.82 1uwt h ASP 196 Ca 0.34 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.60 1uwt h ASP 196 Cb 1.32 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 1uwt h ASP 196 CO -0.02 0.07 -1.98 0.18 -1.03 0.00 0.00 179.24 176.46 1uwt n LEU 197 N -3.48 0.00 -4.83 0.15 4.77 0.42 -5.01 117.00 109.01 1uwt n LEU 197 Ca -0.02 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 1uwt n LEU 197 Cb 0.20 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1uwt n LEU 197 CO 0.28 0.05 0.22 -0.69 -1.33 0.00 0.00 177.39 175.92 1uwt s VAL 198 N -3.32 4.86 -0.27 4.08 1.01 -1.01 -4.79 120.40 120.96 1uwt s VAL 198 Ca -0.08 0.92 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 1uwt s VAL 198 Cb 0.12 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 1uwt s VAL 198 CO 0.85 0.38 -0.31 0.47 0.00 0.00 0.00 175.10 176.49 1uwt n ASP 199 N 1.21 1.97 -4.04 3.32 8.00 -0.10 -4.95 116.55 121.95 1uwt n ASP 199 Ca -0.08 0.17 -0.07 0.00 0.71 0.00 0.00 54.79 55.51 1uwt n ASP 199 Cb 0.52 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 1uwt n ASP 199 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1uwt s GLU 200 N -2.51 0.61 0.06 -1.24 2.02 -0.96 -4.46 118.70 112.22 1uwt s GLU 200 Ca -0.38 -1.12 0.07 0.00 0.02 0.00 0.00 54.97 53.57 1uwt s GLU 200 Cb 0.13 0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.54 1uwt s GLU 200 CO 0.53 -0.13 -0.17 0.71 0.02 0.00 0.00 175.26 176.22 1uwt s TYR 201 N -3.65 2.58 0.00 1.61 2.02 0.13 -0.69 117.35 119.36 1uwt s TYR 201 Ca 0.04 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 56.59 1uwt s TYR 201 Cb 0.06 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 1uwt s TYR 201 CO -0.09 0.29 -0.26 0.45 -1.57 0.00 0.00 175.55 174.37 1uwt s SER 202 N -1.60 3.05 0.02 2.29 0.15 0.64 -0.12 113.70 118.13 1uwt s SER 202 Ca 0.16 -0.50 -0.19 0.00 0.70 0.00 0.00 55.95 56.11 1uwt s SER 202 Cb -0.11 -0.32 -0.23 0.00 -1.71 0.00 0.00 66.02 63.66 1uwt s SER 202 CO 0.07 0.29 1.12 0.71 1.20 0.00 0.00 173.24 176.63 1uwt h THR 203 N 4.41 1.40 -2.94 6.45 1.35 -1.55 -0.80 112.91 121.24 1uwt h THR 203 Ca -0.44 -2.09 -0.05 0.00 -0.55 0.00 0.00 66.41 63.28 1uwt h THR 203 Cb 1.13 2.55 -0.15 0.00 -1.73 0.00 0.00 68.15 69.95 1uwt h THR 203 CO 0.46 0.62 0.06 0.00 -0.25 0.00 0.00 175.52 176.40 1uwt s MET 204 N -3.25 1.10 -0.27 4.72 0.23 -1.26 -2.71 119.30 117.86 1uwt s MET 204 Ca -0.13 -0.38 -0.09 0.00 -1.03 0.00 0.00 55.69 54.07 1uwt s MET 204 Cb 0.04 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.81 1uwt s MET 204 CO 0.84 -0.42 0.13 1.21 -2.03 0.00 0.00 175.02 174.74 1uwt s ASN 205 N -2.31 5.54 -1.12 -1.18 2.47 0.31 -1.42 114.94 117.23 1uwt s ASN 205 Ca -0.02 -0.20 -0.22 0.00 0.42 0.00 0.00 52.86 52.84 1uwt s ASN 205 Cb -0.00 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.79 1uwt s ASN 205 CO -0.06 -0.07 0.76 -0.62 -3.72 0.00 0.00 177.10 173.39 1uwt n GLU 206 N 4.99 -1.02 0.26 0.43 1.02 0.27 -4.76 120.64 121.82 1uwt n GLU 206 Ca -0.15 0.43 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 1uwt n GLU 206 Cb 0.51 -3.72 0.69 0.00 -0.02 0.00 0.00 31.44 28.90 1uwt n GLU 206 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1uwt h PRO 207 N -1.88 0.00 -0.15 3.49 0.13 -1.88 -1.90 132.00 129.81 1uwt h PRO 207 Ca -0.65 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 1uwt h PRO 207 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1uwt h PRO 207 CO 0.48 0.03 0.06 -2.95 -0.23 0.00 0.00 178.00 175.39 1uwt h ASN 208 N 0.00 0.18 0.12 1.44 -1.07 -1.93 -2.28 115.58 112.03 1uwt h ASN 208 Ca -0.00 -0.01 -0.30 0.00 0.07 0.00 0.00 56.30 56.06 1uwt h ASN 208 Cb 0.06 -0.05 0.03 0.00 -2.07 0.00 0.00 38.32 36.30 1uwt h ASN 208 CO 0.00 0.17 -1.24 0.58 0.07 0.00 0.00 177.43 177.02 1uwt h VAL 209 N 0.21 1.28 -0.21 6.14 2.07 -1.71 -1.14 116.25 122.88 1uwt h VAL 209 Ca 0.05 -2.44 0.06 0.00 0.82 0.00 0.00 66.70 65.19 1uwt h VAL 209 Cb 0.05 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.43 1uwt h VAL 209 CO -0.01 0.75 -0.18 0.58 0.02 0.00 0.00 177.57 178.73 1uwt h VAL 210 N 0.29 0.51 -0.01 2.57 2.07 -1.32 0.77 116.25 121.13 1uwt h VAL 210 Ca -0.19 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 1uwt h VAL 210 Cb 1.91 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1uwt h VAL 210 CO 0.24 0.00 -0.84 1.23 0.02 0.00 0.00 177.57 178.22 1uwt h GLY 211 N -0.19 0.26 0.18 2.17 0.00 -1.48 -2.25 103.07 101.75 1uwt h GLY 211 Ca 0.13 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1uwt h GLY 211 CO -0.33 0.38 -0.03 -1.33 0.00 0.00 0.00 176.54 175.24 1uwt h GLY 212 N 1.71 0.02 1.68 4.60 0.00 -0.94 -2.92 103.07 107.22 1uwt h GLY 212 Ca -0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 47.33 47.00 1uwt h GLY 212 CO 0.13 0.03 -1.15 1.41 0.00 0.00 0.00 176.54 176.96 1uwt h LEU 213 N -0.82 0.37 -1.28 3.11 3.38 -1.00 -0.38 115.31 118.69 1uwt h LEU 213 Ca -0.00 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.69 1uwt h LEU 213 Cb 0.87 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1uwt h LEU 213 CO 0.01 1.27 0.55 1.23 0.09 0.00 0.00 178.44 181.58 1uwt h GLY 214 N 1.74 1.16 0.00 0.83 0.00 -1.50 -3.32 103.07 101.99 1uwt h GLY 214 Ca -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1uwt h GLY 214 CO 0.18 0.19 0.00 -1.72 0.00 0.00 0.00 176.54 175.20 1uwt n TYR 215 N -4.52 0.00 0.07 5.60 4.01 -1.10 -1.69 117.16 119.54 1uwt n TYR 215 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1uwt n TYR 215 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 1uwt n TYR 215 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1uwt n VAL 216 N -0.21 0.62 -1.15 -0.72 0.31 -0.69 -0.30 118.33 116.18 1uwt n VAL 216 Ca 0.00 0.20 -0.34 0.00 -0.01 0.00 0.00 64.34 64.19 1uwt n VAL 216 Cb 0.07 -1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 31.82 1uwt n VAL 216 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uwt n GLY 217 N 2.67 3.81 0.17 2.92 0.00 -0.24 -4.70 105.19 109.82 1uwt n GLY 217 Ca 0.00 -1.28 0.13 0.00 0.00 0.00 0.00 46.02 44.87 1uwt n GLY 217 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1uwt h VAL 218 N 3.32 0.00 0.00 1.61 -1.51 -1.87 -1.53 116.25 116.27 1uwt h VAL 218 Ca 0.70 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 1uwt h VAL 218 Cb 0.30 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1uwt h VAL 218 CO 1.70 0.00 0.00 0.11 -1.23 0.00 0.00 177.57 178.15 1uwt h LYS 219 N 0.00 0.00 0.00 5.19 1.57 -1.89 -2.87 116.57 118.56 1uwt h LYS 219 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uwt h LYS 219 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1uwt h LYS 219 CO 0.00 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.31 1uwt n SER 220 N -2.59 0.31 -3.03 0.86 7.64 -0.58 -4.91 113.62 111.32 1uwt n SER 220 Ca 0.01 0.58 -0.18 0.00 1.01 0.00 0.00 58.87 60.28 1uwt n SER 220 Cb 0.26 -0.64 0.07 0.00 -1.01 0.00 0.00 64.21 62.88 1uwt n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwt n GLY 221 N 0.03 -0.26 3.88 0.23 0.00 -1.09 -4.68 105.19 103.30 1uwt n GLY 221 Ca 0.03 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1uwt n GLY 221 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uwt s PHE 222 N -3.27 3.60 0.52 1.61 0.40 -1.26 -4.62 117.98 114.95 1uwt s PHE 222 Ca 0.38 0.53 -0.20 0.00 -0.60 0.00 0.00 56.93 57.03 1uwt s PHE 222 Cb -0.17 -1.94 -0.06 0.00 0.51 0.00 0.00 43.02 41.36 1uwt s PHE 222 CO 0.60 0.72 1.14 -1.25 0.70 0.00 0.00 175.22 177.13 1uwt s PRO 223 N -1.18 3.47 0.00 0.24 0.04 -1.26 -1.44 135.00 134.87 1uwt s PRO 223 Ca 0.18 1.66 0.14 0.00 0.04 0.00 0.00 61.00 63.02 1uwt s PRO 223 Cb -0.12 -2.12 0.42 0.00 0.04 0.00 0.00 34.50 32.71 1uwt s PRO 223 CO 0.07 -0.77 1.34 -0.35 0.04 0.00 0.00 177.00 177.34 1uwt n PRO 224 N -1.07 2.04 -3.65 0.56 -0.04 -1.25 -4.40 135.00 127.19 1uwt n PRO 224 Ca 0.10 -1.62 -0.24 0.00 -0.04 0.00 0.00 63.50 61.70 1uwt n PRO 224 Cb 0.50 -1.36 0.07 0.00 -0.04 0.00 0.00 33.50 32.67 1uwt n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uwt n GLY 225 N 1.22 -0.50 3.34 0.55 0.00 -0.52 -3.60 105.19 105.68 1uwt n GLY 225 Ca 0.15 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 1uwt n GLY 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1uwt s TYR 226 N -3.34 3.18 -0.44 1.61 5.04 -1.04 -4.86 117.35 117.50 1uwt s TYR 226 Ca 0.50 -1.01 -0.29 0.00 -2.44 0.00 0.00 57.07 53.83 1uwt s TYR 226 Cb -0.23 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.82 1uwt s TYR 226 CO 0.76 -0.60 1.21 -1.17 -1.34 0.00 0.00 175.55 174.41 1uwt s LEU 227 N 1.50 3.66 -0.30 6.97 2.96 -1.26 -4.24 118.68 127.97 1uwt s LEU 227 Ca 0.02 0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 54.48 1uwt s LEU 227 Cb -0.18 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.13 1uwt s LEU 227 CO 0.03 -1.26 0.78 -0.55 -1.32 0.00 0.00 176.35 174.03 1uwt s SER 228 N 2.79 -0.96 0.18 3.68 0.15 0.59 -5.02 113.70 115.11 1uwt s SER 228 Ca 0.52 1.02 -0.13 0.00 0.70 0.00 0.00 55.95 58.05 1uwt s SER 228 Cb -0.10 1.97 0.10 0.00 -1.71 0.00 0.00 66.02 66.28 1uwt s SER 228 CO 0.30 -0.18 1.84 -0.26 1.20 0.00 0.00 173.24 176.14 1uwt h PHE 229 N 7.86 0.68 -0.23 3.44 0.04 -1.93 -0.67 116.94 126.14 1uwt h PHE 229 Ca -0.18 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 1uwt h PHE 229 Cb 1.13 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1uwt h PHE 229 CO 0.14 0.41 0.09 1.49 -0.60 0.00 0.00 178.31 179.85 1uwt h GLU 230 N 0.73 0.34 0.00 1.51 4.81 -1.95 -1.63 114.58 118.38 1uwt h GLU 230 Ca 0.22 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1uwt h GLU 230 Cb -0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1uwt h GLU 230 CO -0.07 0.38 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.12 1uwt h LEU 231 N 0.22 0.00 -0.43 1.64 3.38 -1.92 -1.85 115.31 116.35 1uwt h LEU 231 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uwt h LEU 231 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1uwt h LEU 231 CO -0.01 0.41 0.25 -1.28 0.09 0.00 0.00 178.44 177.91 1uwt h SER 232 N 0.00 0.52 -0.38 -0.43 0.87 -0.75 0.72 113.55 114.09 1uwt h SER 232 Ca -0.00 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1uwt h SER 232 Cb 0.77 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1uwt h SER 232 CO 0.05 0.42 0.25 0.03 -0.53 0.00 0.00 176.83 177.05 1uwt h ARG 233 N 0.56 0.49 -0.50 2.24 3.08 -0.92 -1.66 114.38 117.67 1uwt h ARG 233 Ca 0.15 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1uwt h ARG 233 Cb 0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1uwt h ARG 233 CO -0.03 0.32 0.29 -0.09 -1.07 0.00 0.00 179.97 179.39 1uwt h ARG 234 N 0.50 0.68 -0.77 0.04 2.43 -1.13 0.77 114.38 116.91 1uwt h ARG 234 Ca 0.14 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1uwt h ARG 234 Cb -0.05 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 1uwt h ARG 234 CO -0.04 0.51 0.47 0.00 -1.51 0.00 0.00 179.97 179.40 1uwt h ALA 235 N 1.13 1.03 -0.30 2.80 0.00 -0.72 -1.56 119.26 121.64 1uwt h ALA 235 Ca 0.18 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1uwt h ALA 235 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1uwt h ALA 235 CO -0.03 0.22 -0.52 0.52 0.00 0.00 0.00 179.25 179.44 1uwt h MET 236 N 0.88 0.87 -0.42 0.00 2.86 -0.75 -1.41 114.93 116.96 1uwt h MET 236 Ca 0.33 -0.53 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1uwt h MET 236 Cb 0.11 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 1uwt h MET 236 CO -0.15 1.17 0.14 -0.92 1.06 0.00 0.00 176.91 178.21 1uwt h TYR 237 N 0.68 0.25 -0.49 -0.22 3.20 -0.59 -1.13 116.97 118.67 1uwt h TYR 237 Ca 0.02 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1uwt h TYR 237 Cb 1.12 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 1uwt h TYR 237 CO 0.07 0.09 0.14 -0.91 -1.64 0.00 0.00 178.16 175.91 1uwt h ASN 238 N 0.31 0.74 0.09 -2.11 2.35 -1.09 -2.61 115.58 113.25 1uwt h ASN 238 Ca 0.19 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 1uwt h ASN 238 Cb 0.18 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1uwt h ASN 238 CO -0.20 0.76 -0.33 -0.29 -1.65 0.00 0.00 177.43 175.72 1uwt h ILE 239 N 0.67 1.28 0.19 2.81 2.10 -1.07 0.21 117.51 123.71 1uwt h ILE 239 Ca 0.16 -1.37 -0.01 0.00 1.08 0.00 0.00 64.86 64.72 1uwt h ILE 239 Cb 0.30 1.51 -0.00 0.00 -1.09 0.00 0.00 36.82 37.54 1uwt h ILE 239 CO -0.00 0.42 -0.12 0.40 -1.08 0.00 0.00 178.15 177.77 1uwt h ILE 240 N 0.31 0.74 0.00 2.19 2.04 -1.04 0.16 117.51 121.91 1uwt h ILE 240 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1uwt h ILE 240 Cb 0.73 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1uwt h ILE 240 CO 0.06 0.00 -0.29 0.06 0.00 0.00 0.00 178.15 177.97 1uwt h GLN 241 N -0.30 0.00 -0.40 2.37 3.07 -1.07 -0.95 115.11 117.82 1uwt h GLN 241 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.62 1uwt h GLN 241 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 1uwt h GLN 241 CO 0.02 0.29 -0.18 0.00 0.09 0.00 0.00 178.83 179.05 1uwt h ALA 242 N 1.71 0.94 0.00 0.06 0.00 -0.12 -0.48 119.26 121.36 1uwt h ALA 242 Ca -0.00 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1uwt h ALA 242 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1uwt h ALA 242 CO 0.04 0.61 -0.04 1.25 0.00 0.00 0.00 179.25 181.11 1uwt h HIS 243 N 0.68 -0.11 -0.25 0.00 -0.00 0.64 0.24 115.15 116.35 1uwt h HIS 243 Ca 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.49 1uwt h HIS 243 Cb 0.67 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.11 1uwt h HIS 243 CO 0.03 -0.07 0.14 0.00 -0.00 0.00 0.00 177.93 178.03 1uwt h ALA 244 N 0.91 0.30 -0.42 5.26 0.00 -1.03 0.82 119.26 125.11 1uwt h ALA 244 Ca 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1uwt h ALA 244 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1uwt h ALA 244 CO -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 179.25 178.96 1uwt h ARG 245 N 0.29 0.66 -0.62 0.00 -0.00 -1.02 -1.81 114.38 111.88 1uwt h ARG 245 Ca 0.10 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.98 59.35 1uwt h ARG 245 Cb -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 29.86 1uwt h ARG 245 CO -0.05 0.67 0.09 0.00 0.00 0.00 0.00 179.97 180.69 1uwt h ALA 246 N 1.38 1.00 -0.40 0.04 0.00 -0.45 -0.54 119.26 120.30 1uwt h ALA 246 Ca 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1uwt h ALA 246 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1uwt h ALA 246 CO 0.01 0.63 0.25 -0.92 0.00 0.00 0.00 179.25 179.23 1uwt h TYR 247 N 0.95 0.48 -0.55 0.00 5.03 -0.12 -0.74 116.97 122.02 1uwt h TYR 247 Ca 0.19 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.41 1uwt h TYR 247 Cb 0.42 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 1uwt h TYR 247 CO 0.03 0.29 -0.07 -0.44 -1.32 0.00 0.00 178.16 176.65 1uwt h ASP 248 N 0.52 1.00 -0.02 -2.11 3.32 -1.16 -1.13 116.42 116.85 1uwt h ASP 248 Ca 0.15 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1uwt h ASP 248 Cb -0.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 1uwt h ASP 248 CO -0.05 1.09 0.00 1.23 -1.72 0.00 0.00 179.24 179.80 1uwt h GLY 249 N 0.96 0.02 0.96 2.75 0.00 -0.88 -1.19 103.07 105.69 1uwt h GLY 249 Ca 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1uwt h GLY 249 CO 0.04 -0.00 0.14 -2.22 0.00 0.00 0.00 176.54 174.50 1uwt h ILE 250 N 0.01 1.11 0.00 2.60 2.04 -0.98 -2.88 117.51 119.41 1uwt h ILE 250 Ca 0.01 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1uwt h ILE 250 Cb 0.01 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1uwt h ILE 250 CO -0.01 0.11 -0.05 0.11 0.00 0.00 0.00 178.15 178.31 1uwt h LYS 251 N 0.29 0.00 0.00 2.37 1.79 -1.02 0.77 116.57 120.77 1uwt h LYS 251 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1uwt h LYS 251 Cb 0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1uwt h LYS 251 CO -0.01 0.05 -0.01 0.66 -1.08 0.00 0.00 179.45 179.06 1uwt h SER 252 N 0.00 0.00 -0.00 0.86 4.64 -0.99 -3.23 113.55 114.84 1uwt h SER 252 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uwt h SER 252 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1uwt h SER 252 CO 0.01 0.01 -0.01 1.33 -0.87 0.00 0.00 176.83 177.30 1uwt n VAL 253 N -3.11 0.00 -3.80 0.95 0.24 -0.15 -5.07 118.33 107.40 1uwt n VAL 253 Ca -0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.68 1uwt n VAL 253 Cb 0.27 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.55 1uwt n VAL 253 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1uwt s SER 254 N -0.50 -0.12 0.00 -1.34 0.15 0.08 -4.87 113.70 107.10 1uwt s SER 254 Ca 0.00 0.00 0.23 0.00 0.70 0.00 0.00 55.95 56.89 1uwt s SER 254 Cb 0.00 0.29 0.14 0.00 -1.71 0.00 0.00 66.02 64.74 1uwt s SER 254 CO 0.01 -0.41 1.18 0.29 1.20 0.00 0.00 173.24 175.51 1uwt n LYS 255 N 1.39 1.12 -1.67 5.44 4.76 -1.26 -4.26 118.16 123.67 1uwt n LYS 255 Ca -0.22 -0.88 -0.33 0.00 -2.87 0.00 0.00 58.31 54.01 1uwt n LYS 255 Cb 0.56 -1.48 0.06 0.00 -1.84 0.00 0.00 35.03 32.33 1uwt n LYS 255 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1uwt s LYS 256 N -2.49 2.62 0.32 1.97 1.02 -1.26 -4.96 119.74 116.96 1uwt s LYS 256 Ca 0.19 1.48 -0.29 0.00 0.02 0.00 0.00 55.97 57.37 1uwt s LYS 256 Cb 0.18 -1.92 -0.11 0.00 -0.52 0.00 0.00 37.83 35.46 1uwt s LYS 256 CO 0.57 -1.40 1.52 -2.14 -0.92 0.00 0.00 175.35 172.97 1uwt s PRO 257 N -4.05 4.15 -0.17 -1.68 0.02 -1.26 -4.86 135.00 127.16 1uwt s PRO 257 Ca 0.69 2.51 0.01 0.00 0.02 0.00 0.00 61.00 64.23 1uwt s PRO 257 Cb -0.23 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.29 1uwt s PRO 257 CO 0.42 -0.54 -0.19 0.08 -0.33 0.00 0.00 177.00 176.45 1uwt s VAL 258 N -0.47 1.94 0.00 3.83 1.01 -1.26 -0.69 120.40 124.76 1uwt s VAL 258 Ca 0.58 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1uwt s VAL 258 Cb -0.46 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1uwt s VAL 258 CO 0.53 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.76 1uwt n GLY 259 N 4.56 7.11 3.24 4.51 0.00 0.83 -0.70 105.19 124.74 1uwt n GLY 259 Ca -0.20 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 1uwt n GLY 259 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uwt s ILE 260 N 0.53 0.04 -0.14 -0.61 2.07 -1.18 -1.47 121.20 120.44 1uwt s ILE 260 Ca 0.00 -0.31 -0.02 0.00 -1.41 0.00 0.00 60.65 58.91 1uwt s ILE 260 Cb 0.00 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 1uwt s ILE 260 CO 0.00 -0.17 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.16 1uwt s ILE 261 N -0.82 3.62 0.05 2.00 1.01 -0.51 -0.13 121.20 126.42 1uwt s ILE 261 Ca -0.09 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1uwt s ILE 261 Cb -0.04 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1uwt s ILE 261 CO 0.03 0.51 -0.11 -0.47 0.00 0.00 0.00 174.94 174.91 1uwt s TYR 262 N 0.23 0.93 -0.33 3.97 5.04 -0.79 0.93 117.35 127.33 1uwt s TYR 262 Ca -0.04 -0.47 -0.24 0.00 -2.44 0.00 0.00 57.07 53.87 1uwt s TYR 262 Cb -0.14 -0.54 0.01 0.00 0.35 0.00 0.00 41.96 41.64 1uwt s TYR 262 CO 0.04 -0.02 0.85 0.00 -1.34 0.00 0.00 175.55 175.08 1uwt s ALA 263 N -1.29 3.48 0.14 3.97 0.00 -1.26 -2.39 121.76 124.40 1uwt s ALA 263 Ca -0.06 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.54 1uwt s ALA 263 Cb -0.10 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1uwt s ALA 263 CO 0.01 -1.38 -0.09 -0.80 0.00 0.00 0.00 175.76 173.51 1uwt s ASN 264 N 1.72 4.40 0.10 0.00 0.01 -0.65 -5.00 114.94 115.52 1uwt s ASN 264 Ca 0.35 -0.44 0.06 0.00 -0.71 0.00 0.00 52.86 52.11 1uwt s ASN 264 Cb -0.13 -0.83 -0.03 0.00 0.41 0.00 0.00 41.25 40.67 1uwt s ASN 264 CO 0.15 0.14 -0.14 -0.55 -1.51 0.00 0.00 177.10 175.19 1uwt s SER 265 N -2.49 1.85 -0.36 -1.22 0.15 -1.26 -4.32 113.70 106.05 1uwt s SER 265 Ca 0.23 -0.71 -0.18 0.00 0.70 0.00 0.00 55.95 55.99 1uwt s SER 265 Cb -0.10 -0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1uwt s SER 265 CO 0.15 -0.11 0.53 -0.55 1.20 0.00 0.00 173.24 174.46 1uwt s SER 266 N -2.08 6.32 -0.13 5.45 0.15 -1.21 -4.87 113.70 117.34 1uwt s SER 266 Ca 0.03 -0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.37 1uwt s SER 266 Cb -0.08 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 1uwt s SER 266 CO 0.03 -0.50 0.86 -0.36 1.20 0.00 0.00 173.24 174.46 1uwt s PHE 267 N 2.43 3.48 -0.01 3.44 0.08 -1.26 -0.86 117.98 125.29 1uwt s PHE 267 Ca 0.19 1.36 0.05 0.00 0.12 0.00 0.00 56.93 58.65 1uwt s PHE 267 Cb -0.15 -3.03 -0.01 0.00 -0.57 0.00 0.00 43.02 39.26 1uwt s PHE 267 CO 0.14 -0.17 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.28 1uwt s GLN 268 N 1.82 1.28 0.16 0.44 -1.52 -0.20 -4.95 119.66 116.69 1uwt s GLN 268 Ca 0.41 -0.60 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 1uwt s GLN 268 Cb -0.17 -1.25 -0.07 0.00 -0.22 0.00 0.00 33.01 31.30 1uwt s GLN 268 CO 0.16 0.34 0.97 -1.25 -0.25 0.00 0.00 175.29 175.26 1uwt s PRO 269 N -0.46 4.73 0.08 2.91 0.04 -1.26 -0.94 135.00 140.10 1uwt s PRO 269 Ca 0.06 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.33 1uwt s PRO 269 Cb -0.06 -3.34 -0.16 0.00 0.04 0.00 0.00 34.50 30.97 1uwt s PRO 269 CO -0.00 0.28 1.69 1.25 0.04 0.00 0.00 177.00 180.26 1uwt h LEU 270 N 5.11 -0.28 -9.36 -3.56 5.85 -1.61 -3.46 115.31 108.00 1uwt h LEU 270 Ca -0.44 0.01 -0.55 0.00 0.84 0.00 0.00 57.88 57.74 1uwt h LEU 270 Cb 1.21 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.17 1uwt h LEU 270 CO 0.71 -0.19 -0.64 0.42 -0.34 0.00 0.00 178.44 178.39 1uwt s THR 271 N -6.12 1.77 -0.22 1.05 -4.23 -1.26 -5.03 115.64 101.60 1uwt s THR 271 Ca -0.15 -2.08 0.21 0.00 -1.18 0.00 0.00 61.69 58.49 1uwt s THR 271 Cb 0.05 -2.71 0.21 0.00 1.34 0.00 0.00 72.50 71.39 1uwt s THR 271 CO 0.65 -0.13 1.65 -0.90 -0.54 0.00 0.00 174.62 175.34 1uwt n ASP 272 N -0.76 0.55 -1.05 3.99 5.68 -1.26 -1.77 116.55 121.93 1uwt n ASP 272 Ca -0.05 0.76 0.04 0.00 -0.50 0.00 0.00 54.79 55.04 1uwt n ASP 272 Cb 0.65 -0.83 0.18 0.00 -1.14 0.00 0.00 41.12 39.98 1uwt n ASP 272 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1uwt n LYS 273 N -2.24 2.63 -0.13 0.11 0.00 -1.26 -4.27 118.16 113.00 1uwt n LYS 273 Ca -0.01 -1.41 0.09 0.00 -0.00 0.00 0.00 58.31 56.98 1uwt n LYS 273 Cb 0.04 -1.75 0.14 0.00 -0.00 0.00 0.00 35.03 33.45 1uwt n LYS 273 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1uwt n ASP 274 N 0.32 2.18 0.03 -5.58 8.00 -0.73 -4.77 116.55 116.01 1uwt n ASP 274 Ca 0.13 -3.07 -0.03 0.00 0.71 0.00 0.00 54.79 52.53 1uwt n ASP 274 Cb 0.62 -0.42 0.21 0.00 -0.02 0.00 0.00 41.12 41.50 1uwt n ASP 274 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1uwt h MET 275 N 0.05 0.44 -0.43 -1.24 4.05 -1.80 -2.44 114.93 113.56 1uwt h MET 275 Ca -0.00 -0.17 -0.15 0.00 -0.28 0.00 0.00 59.70 59.10 1uwt h MET 275 Cb 1.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.79 1uwt h MET 275 CO 0.00 0.68 -0.31 1.49 0.23 0.00 0.00 176.91 179.00 1uwt h GLU 276 N 0.38 0.97 -0.95 0.39 4.81 -1.94 -2.61 114.58 115.63 1uwt h GLU 276 Ca 0.05 -0.46 0.10 0.00 -0.13 0.00 0.00 59.36 58.92 1uwt h GLU 276 Cb 0.69 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 1uwt h GLU 276 CO 0.05 1.13 0.59 0.00 -0.73 0.00 0.00 179.01 180.05 1uwt h ALA 277 N 0.83 1.38 -0.31 2.92 0.00 -1.81 -0.78 119.26 121.49 1uwt h ALA 277 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uwt h ALA 277 Cb 0.90 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1uwt h ALA 277 CO 0.08 0.25 0.18 0.28 0.00 0.00 0.00 179.25 180.04 1uwt h VAL 278 N 0.98 1.12 -0.48 0.00 2.07 -1.22 -0.19 116.25 118.54 1uwt h VAL 278 Ca 0.45 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1uwt h VAL 278 Cb 0.37 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1uwt h VAL 278 CO -0.23 0.12 0.20 -0.33 0.02 0.00 0.00 177.57 177.34 1uwt h GLU 279 N 0.39 0.71 -0.52 1.57 5.08 -1.02 0.95 114.58 121.74 1uwt h GLU 279 Ca 0.11 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1uwt h GLU 279 Cb 0.03 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1uwt h GLU 279 CO -0.02 0.63 0.29 0.52 -1.00 0.00 0.00 179.01 179.42 1uwt h MET 280 N 0.63 0.54 -0.73 2.33 2.86 -1.04 -0.54 114.93 118.98 1uwt h MET 280 Ca 0.16 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1uwt h MET 280 Cb 0.18 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 1uwt h MET 280 CO -0.01 0.36 0.46 0.00 1.06 0.00 0.00 176.91 178.78 1uwt h ALA 281 N 1.26 0.96 -0.61 6.32 0.00 -0.60 -0.53 119.26 126.06 1uwt h ALA 281 Ca 0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1uwt h ALA 281 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1uwt h ALA 281 CO -0.13 0.25 0.04 0.93 0.00 0.00 0.00 179.25 180.34 1uwt h GLU 282 N 0.90 1.04 0.20 0.00 5.08 -0.49 -1.46 114.58 119.85 1uwt h GLU 282 Ca 0.30 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1uwt h GLU 282 Cb 0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1uwt h GLU 282 CO -0.11 0.99 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.75 1uwt h ASN 283 N 0.96 -0.63 0.85 1.42 2.35 -0.87 -0.61 115.58 119.05 1uwt h ASN 283 Ca 0.18 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1uwt h ASN 283 Cb 0.50 0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1uwt h ASN 283 CO 0.02 -0.33 -0.10 0.44 -1.65 0.00 0.00 177.43 175.81 1uwt h ASP 284 N -0.48 0.00 0.00 5.81 3.32 -0.97 -2.40 116.42 121.71 1uwt h ASP 284 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1uwt h ASP 284 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1uwt h ASP 284 CO -0.07 0.10 -0.45 0.59 -1.72 0.00 0.00 179.24 177.68 1uwt n ASN 285 N -3.27 0.87 0.15 6.45 3.02 -0.56 -4.90 115.26 117.02 1uwt n ASN 285 Ca -0.00 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1uwt n ASN 285 Cb 0.33 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.55 1uwt n ASN 285 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1uwt n ARG 286 N -1.24 0.00 -0.18 3.52 0.63 -0.34 -4.90 116.66 114.15 1uwt n ARG 286 Ca 0.01 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 1uwt n ARG 286 Cb 0.10 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.02 1uwt n ARG 286 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1uwt h TRP 287 N 0.00 0.82 -0.83 -0.14 -0.00 -1.32 -2.16 115.95 112.33 1uwt h TRP 287 Ca 0.00 -0.09 0.14 0.00 -0.00 0.00 0.00 58.89 58.94 1uwt h TRP 287 Cb 0.00 -0.24 -0.09 0.00 -0.00 0.00 0.00 29.16 28.83 1uwt h TRP 287 CO 0.00 0.72 0.42 0.11 -0.00 0.00 0.00 178.44 179.69 1uwt h TRP 288 N 0.69 0.74 -0.04 0.49 5.08 -1.68 0.37 115.95 121.61 1uwt h TRP 288 Ca 0.16 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 60.14 1uwt h TRP 288 Cb 0.28 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 26.24 1uwt h TRP 288 CO 0.02 0.18 -0.07 0.35 -1.28 0.00 0.00 178.44 177.64 1uwt h PHE 289 N 0.61 0.14 -0.01 0.12 3.04 -1.72 -2.88 116.94 116.24 1uwt h PHE 289 Ca 0.44 -0.05 -0.13 0.00 3.98 0.00 0.00 57.97 62.21 1uwt h PHE 289 Cb 0.61 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 1uwt h PHE 289 CO -0.10 0.66 -0.62 0.74 -2.02 0.00 0.00 178.31 176.97 1uwt h PHE 290 N -0.42 0.03 0.00 0.41 -1.00 -1.00 -2.46 116.94 112.51 1uwt h PHE 290 Ca 0.00 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1uwt h PHE 290 Cb 0.65 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1uwt h PHE 290 CO 0.12 0.64 -0.22 -0.44 -1.61 0.00 0.00 178.31 176.81 1uwt h ASP 291 N 0.02 0.00 0.14 2.17 5.19 -0.33 0.03 116.42 123.63 1uwt h ASP 291 Ca -0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1uwt h ASP 291 Cb 1.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1uwt h ASP 291 CO 0.08 0.22 -0.07 0.00 -3.12 0.00 0.00 179.24 176.35 1uwt h ALA 292 N 1.78 -0.19 0.00 3.45 0.00 -1.22 -1.12 119.26 121.96 1uwt h ALA 292 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1uwt h ALA 292 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1uwt h ALA 292 CO 0.03 -0.37 -0.26 0.44 0.00 0.00 0.00 179.25 179.09 1uwt n ILE 293 N -4.96 0.30 -0.12 0.00 -5.35 -1.09 -0.88 119.36 107.26 1uwt n ILE 293 Ca -0.09 -0.18 -0.25 0.00 -0.27 0.00 0.00 62.75 61.97 1uwt n ILE 293 Cb 0.25 -0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 37.76 1uwt n ILE 293 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1uwt n ILE 294 N -1.94 1.35 0.58 7.28 5.41 -0.02 -1.44 119.36 130.59 1uwt n ILE 294 Ca 0.05 -0.37 0.09 0.00 1.00 0.00 0.00 62.75 63.53 1uwt n ILE 294 Cb 0.40 -1.76 0.11 0.00 -0.71 0.00 0.00 39.64 37.67 1uwt n ILE 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1uwt n ARG 295 N -3.98 1.73 -0.99 0.38 1.74 -0.51 -0.13 116.66 114.90 1uwt n ARG 295 Ca -0.48 -1.72 0.00 0.00 -0.77 0.00 0.00 57.85 54.88 1uwt n ARG 295 Cb 0.86 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1uwt n ARG 295 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uwt n GLY 296 N 1.04 0.14 3.66 -0.13 0.00 -0.06 -4.72 105.19 105.13 1uwt n GLY 296 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1uwt n GLY 296 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwt s GLU 297 N -1.43 4.26 0.14 1.61 2.02 -0.70 -0.84 118.70 123.77 1uwt s GLU 297 Ca 0.00 1.21 -0.09 0.00 0.02 0.00 0.00 54.97 56.11 1uwt s GLU 297 Cb 0.00 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.60 1uwt s GLU 297 CO 0.00 -0.54 0.27 -1.50 0.02 0.00 0.00 175.26 173.51 1uwt s ILE 298 N 2.88 0.09 -0.07 -1.63 2.07 -0.68 -2.70 121.20 121.15 1uwt s ILE 298 Ca 0.41 -1.28 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 1uwt s ILE 298 Cb -0.16 -1.67 -0.03 0.00 0.13 0.00 0.00 42.46 40.74 1uwt s ILE 298 CO 0.08 -0.40 -0.11 -0.89 -1.91 0.00 0.00 174.94 171.72 1uwt s THR 299 N -3.93 3.33 0.00 4.00 2.01 -1.26 -0.93 115.64 118.86 1uwt s THR 299 Ca 0.13 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1uwt s THR 299 Cb 0.04 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1uwt s THR 299 CO -0.04 0.58 0.00 -1.14 -0.69 0.00 0.00 174.62 173.33 1uwt n ARG 300 N 2.54 1.77 -3.53 4.92 0.63 -1.26 -5.01 116.66 116.73 1uwt n ARG 300 Ca -0.18 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.34 1uwt n ARG 300 Cb 0.53 -0.66 -0.08 0.00 0.45 0.00 0.00 32.46 32.70 1uwt n ARG 300 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1uwt s LYS 304 N -1.18 2.53 0.52 -0.14 -0.14 -1.26 -5.27 119.74 114.79 1uwt s LYS 304 Ca 0.00 -1.75 0.01 0.00 -1.36 0.00 0.00 55.97 52.87 1uwt s LYS 304 Cb 0.00 -3.96 -0.01 0.00 -1.68 0.00 0.00 37.83 32.19 1uwt s LYS 304 CO 0.00 -1.20 0.01 0.96 -0.76 0.00 0.00 175.35 174.36 1uwt s ILE 305 N 1.39 1.06 -0.18 2.17 -5.25 -0.11 -4.95 121.20 115.32 1uwt s ILE 305 Ca 0.05 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.69 1uwt s ILE 305 Cb -0.26 -2.08 -0.01 0.00 2.95 0.00 0.00 42.46 43.05 1uwt s ILE 305 CO -0.00 0.00 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.39 1uwt s VAL 306 N -2.90 3.34 -0.27 8.37 1.01 -1.26 -1.68 120.40 127.00 1uwt s VAL 306 Ca 0.03 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1uwt s VAL 306 Cb 0.01 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1uwt s VAL 306 CO 0.02 0.47 0.07 -0.13 0.00 0.00 0.00 175.10 175.52 1uwt s ARG 307 N 0.95 3.37 0.47 2.72 0.52 -0.02 -4.97 118.95 121.99 1uwt s ARG 307 Ca -0.01 -0.67 0.26 0.00 -0.52 0.00 0.00 55.73 54.79 1uwt s ARG 307 Cb -0.15 -3.32 1.07 0.00 0.52 0.00 0.00 34.95 33.07 1uwt s ARG 307 CO 0.00 -0.31 1.89 -0.44 0.02 0.00 0.00 175.30 176.46 1uwt h ASP 308 N 8.23 0.00 0.70 0.23 3.32 -1.96 -1.44 116.42 125.51 1uwt h ASP 308 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1uwt h ASP 308 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1uwt h ASP 308 CO 0.59 0.18 0.00 -0.90 -1.72 0.00 0.00 179.24 177.40 1uwt n ASP 309 N -3.40 0.00 -0.11 6.45 5.75 -1.26 -3.69 116.55 120.29 1uwt n ASP 309 Ca -0.00 0.27 -0.13 0.00 -0.01 0.00 0.00 54.79 54.91 1uwt n ASP 309 Cb 0.38 -0.41 -0.13 0.00 -1.03 0.00 0.00 41.12 39.93 1uwt n ASP 309 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uwt n LEU 310 N -1.41 1.54 -4.67 -2.12 4.77 -0.60 -4.85 117.00 109.66 1uwt n LEU 310 Ca 0.08 -0.07 -0.44 0.00 -0.03 0.00 0.00 56.01 55.55 1uwt n LEU 310 Cb 0.26 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1uwt n LEU 310 CO 0.22 0.70 0.98 1.17 -1.33 0.00 0.00 177.39 179.12 1uwt n LYS 311 N -2.96 2.02 -1.40 3.23 4.81 -0.86 -3.13 118.16 119.88 1uwt n LYS 311 Ca -0.37 0.72 -0.13 0.00 -0.87 0.00 0.00 58.31 57.65 1uwt n LYS 311 Cb 1.03 -2.35 -0.06 0.00 0.02 0.00 0.00 35.03 33.68 1uwt n LYS 311 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uwt n GLY 312 N 1.88 1.39 2.48 3.14 0.00 0.81 -4.88 105.19 110.02 1uwt n GLY 312 Ca 0.10 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1uwt n GLY 312 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwt n ARG 313 N -2.61 3.68 -3.60 1.61 3.00 -0.52 -4.84 116.66 113.38 1uwt n ARG 313 Ca -0.13 -3.00 -0.03 0.00 -0.01 0.00 0.00 57.85 54.67 1uwt n ARG 313 Cb 0.44 -2.42 -0.06 0.00 0.00 0.00 0.00 32.46 30.42 1uwt n ARG 313 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1uwt s LEU 314 N -2.19 -0.73 -0.18 0.55 2.96 -1.26 -4.87 118.68 112.97 1uwt s LEU 314 Ca 0.56 1.11 0.18 0.00 -0.22 0.00 0.00 54.13 55.76 1uwt s LEU 314 Cb 0.27 1.98 -0.26 0.00 0.50 0.00 0.00 46.19 48.68 1uwt s LEU 314 CO -0.15 -0.17 0.12 0.47 -1.32 0.00 0.00 176.35 175.30 1uwt n ASP 315 N 4.34 0.08 -3.64 3.68 8.00 0.13 -5.04 116.55 124.09 1uwt n ASP 315 Ca -0.16 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.23 1uwt n ASP 315 Cb 0.56 1.11 -0.04 0.00 -0.02 0.00 0.00 41.12 42.74 1uwt n ASP 315 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1uwt s TRP 316 N -2.61 -0.22 -0.15 1.24 1.48 -1.24 -4.41 118.94 113.03 1uwt s TRP 316 Ca -0.10 -0.09 0.02 0.00 -1.06 0.00 0.00 56.10 54.87 1uwt s TRP 316 Cb 0.07 0.36 0.02 0.00 -1.16 0.00 0.00 33.47 32.75 1uwt s TRP 316 CO 0.83 -0.81 -0.20 0.42 -4.06 0.00 0.00 176.95 173.13 1uwt s ILE 317 N -3.82 1.94 -0.27 0.66 1.01 -0.78 -3.07 121.20 116.86 1uwt s ILE 317 Ca 0.05 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 1uwt s ILE 317 Cb 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 1uwt s ILE 317 CO -0.08 0.52 0.55 -0.83 0.00 0.00 0.00 174.94 175.10 1uwt s GLY 318 N 1.08 1.82 -0.37 6.18 0.00 0.81 -2.15 107.32 114.69 1uwt s GLY 318 Ca -0.01 -0.60 -0.15 0.00 0.00 0.00 0.00 44.72 43.95 1uwt s GLY 318 CO -0.07 1.31 0.34 0.14 0.00 0.00 0.00 173.10 174.82 1uwt s VAL 319 N 2.40 5.20 -0.19 1.40 1.01 -0.13 -1.88 120.40 128.21 1uwt s VAL 319 Ca 0.23 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1uwt s VAL 319 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1uwt s VAL 319 CO 0.10 -0.17 0.31 0.20 0.00 0.00 0.00 175.10 175.53 1uwt s ASN 320 N 1.74 6.38 -0.04 3.32 -0.87 -1.01 -0.90 114.94 123.55 1uwt s ASN 320 Ca 0.09 0.44 -0.02 0.00 -1.57 0.00 0.00 52.86 51.80 1uwt s ASN 320 Cb -0.17 -2.19 0.03 0.00 -0.02 0.00 0.00 41.25 38.90 1uwt s ASN 320 CO 0.11 0.02 0.10 -0.47 -2.57 0.00 0.00 177.10 174.29 1uwt s TYR 321 N 0.92 -0.09 0.00 2.20 5.04 -0.42 -1.64 117.35 123.36 1uwt s TYR 321 Ca 0.16 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1uwt s TYR 321 Cb -0.14 -0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.09 1uwt s TYR 321 CO 0.06 -0.11 0.00 0.66 -1.34 0.00 0.00 175.55 174.82 1uwt n TYR 322 N 3.82 0.00 -3.86 4.97 4.01 -1.26 -4.08 117.16 120.77 1uwt n TYR 322 Ca -0.22 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.47 1uwt n TYR 322 Cb 0.54 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.59 1uwt n TYR 322 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1uwt n THR 323 N -2.33 0.00 -2.91 -0.72 5.66 -1.26 -4.69 114.28 108.02 1uwt n THR 323 Ca 0.00 -0.68 -0.20 0.00 -3.05 0.00 0.00 64.05 60.12 1uwt n THR 323 Cb 0.43 0.83 0.05 0.00 -1.55 0.00 0.00 70.33 70.08 1uwt n THR 323 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uwt s ARG 324 N -2.06 2.40 -0.06 1.09 1.70 -1.26 -3.28 118.95 117.48 1uwt s ARG 324 Ca 0.20 -1.34 0.01 0.00 -0.47 0.00 0.00 55.73 54.14 1uwt s ARG 324 Cb -0.03 -2.62 0.02 0.00 -0.57 0.00 0.00 34.95 31.75 1uwt s ARG 324 CO 0.07 -0.75 -0.05 0.99 -1.08 0.00 0.00 175.30 174.48 1uwt s THR 325 N -2.65 0.64 -0.14 4.99 2.01 -0.04 -3.88 115.64 116.57 1uwt s THR 325 Ca 0.60 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 1uwt s THR 325 Cb -0.08 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1uwt s THR 325 CO 0.38 0.26 0.32 -0.69 -0.69 0.00 0.00 174.62 174.20 1uwt s VAL 326 N 1.07 5.28 0.14 3.82 1.01 -1.26 -1.04 120.40 129.42 1uwt s VAL 326 Ca -0.08 0.61 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1uwt s VAL 326 Cb -0.14 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1uwt s VAL 326 CO -0.01 0.40 -0.19 0.68 0.00 0.00 0.00 175.10 175.99 1uwt s VAL 327 N 0.34 1.73 0.13 2.92 -7.23 -0.12 -0.60 120.40 117.57 1uwt s VAL 327 Ca 0.18 -1.77 0.07 0.00 -1.81 0.00 0.00 61.98 58.65 1uwt s VAL 327 Cb -0.13 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1uwt s VAL 327 CO 0.05 -0.25 -0.16 -1.59 -0.31 0.00 0.00 175.10 172.85 1uwt s LYS 328 N -2.49 1.09 0.35 4.82 -2.85 -0.19 -1.59 119.74 118.88 1uwt s LYS 328 Ca 0.12 -1.27 -0.27 0.00 -1.00 0.00 0.00 55.97 53.55 1uwt s LYS 328 Cb -0.07 -1.07 -0.09 0.00 -2.06 0.00 0.00 37.83 34.54 1uwt s LYS 328 CO 0.05 0.22 1.18 0.50 0.10 0.00 0.00 175.35 177.40 1uwt s ARG 329 N -2.59 4.32 0.47 1.78 6.06 -1.26 -1.37 118.95 126.36 1uwt s ARG 329 Ca 0.10 1.91 0.02 0.00 -2.50 0.00 0.00 55.73 55.26 1uwt s ARG 329 Cb -0.06 -2.93 -0.01 0.00 0.06 0.00 0.00 34.95 32.01 1uwt s ARG 329 CO 0.04 -0.11 0.08 0.95 -2.50 0.00 0.00 175.30 173.76 1uwt s THR 330 N -1.28 0.76 0.08 4.11 -4.23 0.12 -4.84 115.64 110.36 1uwt s THR 330 Ca 0.51 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.69 1uwt s THR 330 Cb -0.33 -2.19 -0.16 0.00 1.34 0.00 0.00 72.50 71.16 1uwt s THR 330 CO 0.42 0.00 1.61 -0.33 -0.54 0.00 0.00 174.62 175.78 1uwt h GLU 331 N 1.54 -0.85 0.00 3.99 5.08 -2.00 -3.18 114.58 119.16 1uwt h GLU 331 Ca -0.39 0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1uwt h GLU 331 Cb 1.30 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1uwt h GLU 331 CO 0.63 -0.56 -0.19 1.57 -1.00 0.00 0.00 179.01 179.46 1uwt h LYS 332 N -0.88 0.00 0.00 2.33 5.09 -2.02 -3.48 116.57 117.61 1uwt h LYS 332 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.68 1uwt h LYS 332 Cb 0.73 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.06 1uwt h LYS 332 CO 0.04 0.19 0.00 0.41 -2.09 0.00 0.00 179.45 177.99 1uwt n GLY 333 N -0.33 -1.29 3.25 0.07 0.00 -1.20 -5.15 105.19 100.54 1uwt n GLY 333 Ca -0.01 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 1uwt n GLY 333 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uwt s TYR 334 N 0.00 -0.09 0.07 1.61 1.13 -1.26 0.11 117.35 118.92 1uwt s TYR 334 Ca 0.00 -0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.64 1uwt s TYR 334 Cb 0.00 0.09 -0.03 0.00 -1.10 0.00 0.00 41.96 40.91 1uwt s TYR 334 CO 0.00 -0.50 -0.12 0.14 -2.51 0.00 0.00 175.55 172.56 1uwt s VAL 335 N -2.58 0.98 0.32 -3.49 -7.23 -0.47 -4.86 120.40 103.06 1uwt s VAL 335 Ca -0.05 -1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.60 1uwt s VAL 335 Cb -0.01 -1.07 -0.09 0.00 0.56 0.00 0.00 36.38 35.77 1uwt s VAL 335 CO -0.04 -0.34 0.75 -0.44 -0.31 0.00 0.00 175.10 174.73 1uwt s SER 336 N -1.90 6.83 -0.17 4.85 0.01 -1.26 -1.02 113.70 121.04 1uwt s SER 336 Ca -0.01 1.33 -0.05 0.00 1.31 0.00 0.00 55.95 58.53 1uwt s SER 336 Cb -0.08 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 1uwt s SER 336 CO 0.01 -0.18 0.00 -0.76 0.41 0.00 0.00 173.24 172.72 1uwt s LEU 337 N -2.86 3.48 0.76 2.44 1.43 0.23 -4.95 118.68 119.22 1uwt s LEU 337 Ca 0.53 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.46 1uwt s LEU 337 Cb -0.11 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.31 1uwt s LEU 337 CO 0.18 0.17 1.15 -0.83 0.23 0.00 0.00 176.35 177.24 1uwt s GLY 338 N 0.38 2.03 0.00 -3.19 0.00 -1.26 -3.75 107.32 101.52 1uwt s GLY 338 Ca -0.01 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1uwt s GLY 338 CO 0.02 1.00 0.00 0.61 0.00 0.00 0.00 173.10 174.73 1uwt n GLY 339 N -0.19 0.80 3.23 0.20 0.00 -0.40 -4.96 105.19 103.87 1uwt n GLY 339 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1uwt n GLY 339 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uwt s TYR 340 N -3.08 1.19 0.00 1.61 2.02 -1.25 -0.58 117.35 117.27 1uwt s TYR 340 Ca 0.00 -1.08 0.00 0.00 -0.37 0.00 0.00 57.07 55.62 1uwt s TYR 340 Cb 0.00 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 1uwt s TYR 340 CO 0.00 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 1uwt n GLY 341 N -0.25 3.75 0.12 0.71 0.00 -1.26 -1.84 105.19 106.43 1uwt n GLY 341 Ca -0.05 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1uwt n GLY 341 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1uwt n HIS 342 N 14.00 0.00 -1.67 1.61 1.44 -1.25 -0.62 115.22 128.72 1uwt n HIS 342 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1uwt n HIS 342 Cb 0.00 -0.16 0.06 0.00 0.12 0.00 0.00 29.99 30.01 1uwt n HIS 342 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1uwt n GLY 343 N 1.25 5.83 3.88 -1.39 0.00 -0.77 -4.65 105.19 109.33 1uwt n GLY 343 Ca 0.16 -2.44 -0.22 0.00 0.00 0.00 0.00 46.02 43.52 1uwt n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwt s GLU 345 N -4.15 3.79 0.34 0.00 2.02 -1.26 -4.54 118.70 114.90 1uwt s GLU 345 Ca 0.46 1.79 -0.28 0.00 0.02 0.00 0.00 54.97 56.96 1uwt s GLU 345 Cb -0.03 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.66 1uwt s GLU 345 CO 0.27 -0.53 1.25 1.03 0.02 0.00 0.00 175.26 177.30 1uwt s ARG 346 N -2.64 4.31 -1.12 1.61 0.52 -1.26 -3.98 118.95 116.39 1uwt s ARG 346 Ca 0.63 2.08 -0.21 0.00 -0.52 0.00 0.00 55.73 57.71 1uwt s ARG 346 Cb -0.29 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 1uwt s ARG 346 CO 0.35 -0.17 0.78 0.09 0.02 0.00 0.00 175.30 176.37 1uwt n ASN 347 N 0.67 -5.34 0.00 0.23 4.13 -0.43 -4.91 115.26 109.61 1uwt n ASN 347 Ca 0.01 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1uwt n ASN 347 Cb 0.43 -3.27 0.00 0.00 -1.54 0.00 0.00 39.78 35.40 1uwt n ASN 347 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1uwt n SER 348 N -2.61 0.82 -4.20 6.41 2.88 -1.25 -4.44 113.62 111.22 1uwt n SER 348 Ca -0.10 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.27 1uwt n SER 348 Cb 0.59 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.94 1uwt n SER 348 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1uwt s VAL 349 N -0.14 1.15 1.05 2.46 -7.23 -1.26 -1.17 120.40 115.27 1uwt s VAL 349 Ca 0.00 -1.60 -0.17 0.00 -1.81 0.00 0.00 61.98 58.40 1uwt s VAL 349 Cb 0.00 -1.37 0.23 0.00 0.56 0.00 0.00 36.38 35.80 1uwt s VAL 349 CO 0.00 -0.42 1.23 -0.94 -0.31 0.00 0.00 175.10 174.66 1uwt s SER 350 N -2.29 2.32 0.66 4.85 1.04 0.83 -4.75 113.70 116.36 1uwt s SER 350 Ca 0.05 0.44 0.43 0.00 0.48 0.00 0.00 55.95 57.35 1uwt s SER 350 Cb -0.05 -0.59 2.33 0.00 0.10 0.00 0.00 66.02 67.81 1uwt s SER 350 CO 0.02 -3.24 2.35 -0.07 0.98 0.00 0.00 173.24 173.28 1uwt h LEU 351 N -1.98 0.00 -1.15 2.42 3.38 -1.18 -1.03 115.31 115.76 1uwt h LEU 351 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1uwt h LEU 351 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1uwt h LEU 351 CO 0.38 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1uwt n ALA 352 N -2.10 2.54 -0.75 1.53 0.00 -1.26 -4.94 120.51 115.53 1uwt n ALA 352 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1uwt n ALA 352 Cb 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1uwt n ALA 352 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uwt n GLY 353 N 1.19 0.64 3.84 0.00 0.00 -0.39 -5.04 105.19 105.43 1uwt n GLY 353 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1uwt n GLY 353 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwt s LEU 354 N 0.00 4.41 0.53 0.99 1.43 -1.26 -4.76 118.68 120.02 1uwt s LEU 354 Ca 0.00 0.98 -0.21 0.00 -1.03 0.00 0.00 54.13 53.87 1uwt s LEU 354 Cb 0.00 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 1uwt s LEU 354 CO 0.00 0.22 1.22 -2.16 0.23 0.00 0.00 176.35 175.85 1uwt s PRO 355 N -1.56 3.35 0.26 1.29 0.04 -1.26 -0.12 135.00 137.00 1uwt s PRO 355 Ca 0.31 1.88 0.10 0.00 0.04 0.00 0.00 61.00 63.33 1uwt s PRO 355 Cb -0.16 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1uwt s PRO 355 CO 0.17 -0.92 -0.06 0.95 0.04 0.00 0.00 177.00 177.17 1uwt s THR 356 N -1.52 3.17 0.71 1.26 -4.23 -0.31 -1.76 115.64 112.96 1uwt s THR 356 Ca 0.70 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1uwt s THR 356 Cb -0.31 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.01 1uwt s THR 356 CO 0.37 -0.35 0.96 -1.54 -0.54 0.00 0.00 174.62 173.52 1uwt n SER 357 N -0.72 0.52 0.27 3.99 3.41 -0.66 -3.93 113.62 116.51 1uwt n SER 357 Ca -0.07 -1.62 0.19 0.00 -0.26 0.00 0.00 58.87 57.11 1uwt n SER 357 Cb 0.59 -0.70 0.97 0.00 -0.26 0.00 0.00 64.21 64.81 1uwt n SER 357 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1uwt h ASP 358 N -1.02 0.00 -0.01 4.04 3.32 -1.55 -0.83 116.42 120.37 1uwt h ASP 358 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1uwt h ASP 358 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1uwt h ASP 358 CO 0.26 0.00 -0.31 0.33 -1.72 0.00 0.00 179.24 177.81 1uwt n PHE 359 N -2.80 0.00 -1.71 4.55 -0.00 -1.26 -4.68 117.46 111.56 1uwt n PHE 359 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1uwt n PHE 359 Cb 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.56 1uwt n PHE 359 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1uwt n GLY 360 N 1.39 0.41 3.67 7.13 0.00 -0.53 -4.79 105.19 112.47 1uwt n GLY 360 Ca 0.11 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1uwt n GLY 360 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uwt s TRP 361 N -2.00 3.30 0.31 1.61 0.51 -1.26 -2.19 118.94 119.22 1uwt s TRP 361 Ca 0.00 0.16 -0.29 0.00 -2.12 0.00 0.00 56.10 53.85 1uwt s TRP 361 Cb 0.00 -2.07 -0.10 0.00 -0.81 0.00 0.00 33.47 30.49 1uwt s TRP 361 CO 0.00 0.23 1.23 -2.00 -0.51 0.00 0.00 176.95 175.90 1uwt s GLU 362 N 0.23 4.46 -0.26 4.98 2.12 0.21 -1.65 118.70 128.80 1uwt s GLU 362 Ca 0.05 2.06 -0.29 0.00 0.36 0.00 0.00 54.97 57.15 1uwt s GLU 362 Cb -0.12 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1uwt s GLU 362 CO -0.00 -0.04 1.46 0.12 -0.54 0.00 0.00 175.26 176.26 1uwt s PHE 363 N -1.14 2.39 -0.46 5.30 2.19 -0.72 -4.65 117.98 120.89 1uwt s PHE 363 Ca 0.47 0.70 0.07 0.00 0.33 0.00 0.00 56.93 58.50 1uwt s PHE 363 Cb -0.37 -3.94 0.25 0.00 -1.31 0.00 0.00 43.02 37.65 1uwt s PHE 363 CO 0.48 -2.34 0.80 0.34 1.83 0.00 0.00 175.22 176.34 1uwt n PHE 364 N 8.01 -2.47 0.27 10.12 7.35 -1.26 -4.84 117.46 134.64 1uwt n PHE 364 Ca 0.17 -2.29 0.15 0.00 -0.76 0.00 0.00 57.45 54.72 1uwt n PHE 364 Cb 0.46 1.03 0.73 0.00 0.35 0.00 0.00 39.48 42.05 1uwt n PHE 364 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1uwt h PRO 365 N 3.92 0.00 -0.74 -7.13 0.13 -1.92 -2.83 132.00 123.43 1uwt h PRO 365 Ca -0.08 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.11 1uwt h PRO 365 Cb 0.99 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.08 1uwt h PRO 365 CO 0.36 0.08 0.49 0.93 -0.23 0.00 0.00 178.00 179.62 1uwt h GLU 366 N 0.00 0.77 -0.97 0.86 3.07 -1.95 -1.89 114.58 114.48 1uwt h GLU 366 Ca -0.00 -0.05 0.28 0.00 -0.50 0.00 0.00 59.36 59.09 1uwt h GLU 366 Cb 0.43 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 1uwt h GLU 366 CO 0.01 0.51 0.70 0.78 -1.40 0.00 0.00 179.01 179.61 1uwt h GLY 367 N 0.79 0.00 1.35 -3.84 0.00 -1.90 -0.76 103.07 98.72 1uwt h GLY 367 Ca 0.32 -0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.47 1uwt h GLY 367 CO -0.10 -0.00 -0.57 -2.00 0.00 0.00 0.00 176.54 173.87 1uwt h LEU 368 N 0.00 0.76 -0.37 3.11 5.85 -1.54 -0.76 115.31 122.35 1uwt h LEU 368 Ca 0.46 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1uwt h LEU 368 Cb 1.85 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 1uwt h LEU 368 CO -0.01 1.17 0.11 0.22 -0.34 0.00 0.00 178.44 179.59 1uwt h TYR 369 N 0.52 0.62 -0.35 1.25 3.20 -1.30 -0.74 116.97 120.17 1uwt h TYR 369 Ca 0.01 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 61.86 1uwt h TYR 369 Cb 1.14 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 1uwt h TYR 369 CO 0.06 0.59 0.08 0.22 -1.64 0.00 0.00 178.16 177.48 1uwt h ASP 370 N 0.46 0.05 -0.23 -2.11 3.58 -1.19 -1.86 116.42 115.11 1uwt h ASP 370 Ca 0.12 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 1uwt h ASP 370 Cb 0.28 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1uwt h ASP 370 CO -0.00 0.06 -0.26 0.58 -2.88 0.00 0.00 179.24 176.74 1uwt h VAL 371 N 0.21 1.32 -0.37 2.25 2.07 -0.86 -1.17 116.25 119.69 1uwt h VAL 371 Ca 0.16 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1uwt h VAL 371 Cb 0.17 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1uwt h VAL 371 CO -0.20 0.45 0.22 -0.07 0.02 0.00 0.00 177.57 177.99 1uwt h LEU 372 N 0.29 0.45 -0.28 2.57 3.38 -1.07 -2.37 115.31 118.28 1uwt h LEU 372 Ca 0.03 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1uwt h LEU 372 Cb 0.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1uwt h LEU 372 CO 0.06 0.39 -0.80 0.71 0.09 0.00 0.00 178.44 178.89 1uwt h THR 373 N 0.48 1.35 -0.52 0.22 1.35 -1.29 -1.67 112.91 112.83 1uwt h THR 373 Ca 0.13 -2.16 0.01 0.00 -0.55 0.00 0.00 66.41 63.85 1uwt h THR 373 Cb 0.02 2.15 -0.03 0.00 -1.73 0.00 0.00 68.15 68.56 1uwt h THR 373 CO -0.02 0.66 0.33 0.11 -0.25 0.00 0.00 175.52 176.35 1uwt h LYS 374 N 0.34 0.65 -0.33 4.72 1.79 -1.17 -0.14 116.57 122.43 1uwt h LYS 374 Ca -0.05 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1uwt h LYS 374 Cb 1.40 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 1uwt h LYS 374 CO 0.15 0.43 0.16 1.88 -1.08 0.00 0.00 179.45 180.98 1uwt h TYR 375 N 0.67 0.47 -0.34 -1.35 0.05 -1.34 -2.19 116.97 112.94 1uwt h TYR 375 Ca 0.20 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1uwt h TYR 375 Cb -0.03 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 1uwt h TYR 375 CO -0.05 0.41 0.18 2.35 -1.05 0.00 0.00 178.16 180.01 1uwt h TRP 376 N 0.39 0.47 0.00 4.88 2.91 -1.08 -1.39 115.95 122.13 1uwt h TRP 376 Ca 0.11 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 1uwt h TRP 376 Cb 0.12 -0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1uwt h TRP 376 CO -0.02 0.38 -0.13 -0.91 -1.03 0.00 0.00 178.44 176.73 1uwt h ASN 377 N 0.43 0.00 0.20 2.65 2.35 -0.90 0.05 115.58 120.35 1uwt h ASN 377 Ca 0.12 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.52 1uwt h ASN 377 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1uwt h ASN 377 CO -0.02 0.13 -1.94 -1.14 -1.65 0.00 0.00 177.43 172.82 1uwt n ARG 378 N -3.49 0.74 -0.00 0.81 0.63 -0.83 -4.72 116.66 109.79 1uwt n ARG 378 Ca -0.01 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1uwt n ARG 378 Cb 0.29 -1.73 -0.00 0.00 0.45 0.00 0.00 32.46 31.47 1uwt n ARG 378 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1uwt n TYR 379 N -3.40 0.00 -3.51 -0.14 4.01 -0.58 -5.03 117.16 108.52 1uwt n TYR 379 Ca -0.29 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.19 1uwt n TYR 379 Cb 1.05 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.09 1uwt n TYR 379 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1uwt n HIS 380 N -1.61 -1.99 -3.91 -0.72 8.25 0.00 -4.98 115.22 110.25 1uwt n HIS 380 Ca -0.00 0.63 -0.35 0.00 -0.26 0.00 0.00 57.72 57.75 1uwt n HIS 380 Cb 0.11 -3.58 -0.05 0.00 1.12 0.00 0.00 29.99 27.59 1uwt n HIS 380 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uwt s LEU 381 N -6.81 4.34 0.65 2.41 1.43 -1.26 -5.09 118.68 114.35 1uwt s LEU 381 Ca 0.48 0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 53.81 1uwt s LEU 381 Cb -0.24 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 1uwt s LEU 381 CO 0.59 0.32 1.11 -0.72 0.23 0.00 0.00 176.35 177.89 1uwt s TYR 382 N -1.20 2.61 0.15 0.29 1.13 -1.26 -4.78 117.35 114.29 1uwt s TYR 382 Ca 0.22 1.55 0.06 0.00 -1.41 0.00 0.00 57.07 57.49 1uwt s TYR 382 Cb -0.12 -3.19 -0.04 0.00 -1.10 0.00 0.00 41.96 37.51 1uwt s TYR 382 CO 0.13 -1.70 -0.12 -1.64 -2.51 0.00 0.00 175.55 169.71 1uwt s MET 383 N -4.01 1.10 0.06 -3.49 -1.94 0.25 -1.87 119.30 109.39 1uwt s MET 383 Ca 0.68 -1.40 0.09 0.00 -1.71 0.00 0.00 55.69 53.35 1uwt s MET 383 Cb -0.21 -0.82 -0.03 0.00 2.01 0.00 0.00 34.83 35.78 1uwt s MET 383 CO 0.40 0.13 -0.24 0.71 -0.01 0.00 0.00 175.02 176.02 1uwt s TYR 384 N -2.81 2.06 -0.64 -0.03 2.02 -0.91 -1.16 117.35 115.88 1uwt s TYR 384 Ca 0.15 -0.39 -0.25 0.00 -0.37 0.00 0.00 57.07 56.20 1uwt s TYR 384 Cb -0.01 -1.20 0.05 0.00 -0.40 0.00 0.00 41.96 40.39 1uwt s TYR 384 CO 0.03 0.15 1.07 0.08 -1.57 0.00 0.00 175.55 175.31 1uwt s VAL 385 N -0.88 4.14 -0.53 0.71 1.01 -0.59 -0.95 120.40 123.31 1uwt s VAL 385 Ca 0.10 0.22 0.24 0.00 0.00 0.00 0.00 61.98 62.54 1uwt s VAL 385 Cb -0.10 -4.71 0.11 0.00 0.00 0.00 0.00 36.38 31.68 1uwt s VAL 385 CO 0.03 -1.44 1.35 0.71 0.00 0.00 0.00 175.10 175.75 1uwt h THR 386 N 6.03 0.00 -2.65 3.92 1.35 -1.26 0.17 112.91 120.48 1uwt h THR 386 Ca -0.27 -0.68 -0.11 0.00 -0.55 0.00 0.00 66.41 64.81 1uwt h THR 386 Cb 1.06 1.35 -0.22 0.00 -1.73 0.00 0.00 68.15 68.61 1uwt h THR 386 CO 1.18 0.00 -0.16 -1.61 -0.25 0.00 0.00 175.52 174.68 1uwt s GLU 387 N -3.21 0.61 -0.29 4.72 2.02 -1.16 -4.54 118.70 116.84 1uwt s GLU 387 Ca 0.05 0.44 -0.16 0.00 0.02 0.00 0.00 54.97 55.33 1uwt s GLU 387 Cb 0.11 0.29 0.16 0.00 0.10 0.00 0.00 34.13 34.79 1uwt s GLU 387 CO 0.71 -0.11 1.03 1.21 0.02 0.00 0.00 175.26 178.12 1uwt s ASN 388 N -0.19 -0.44 0.00 -0.19 3.84 -1.23 -1.30 114.94 115.43 1uwt s ASN 388 Ca -0.04 0.68 0.00 0.00 0.21 0.00 0.00 52.86 53.71 1uwt s ASN 388 Cb -0.03 1.27 0.00 0.00 -0.55 0.00 0.00 41.25 41.93 1uwt s ASN 388 CO 0.02 -0.10 0.00 0.61 -2.79 0.00 0.00 177.10 174.84 1uwt n GLY 389 N 3.89 -1.13 3.37 1.21 0.00 -1.26 -0.79 105.19 110.49 1uwt n GLY 389 Ca -0.16 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1uwt n GLY 389 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uwt s ILE 390 N -3.00 -0.00 -0.40 -0.61 2.07 -1.26 -4.91 121.20 113.09 1uwt s ILE 390 Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 1uwt s ILE 390 Cb 0.00 -0.66 0.02 0.00 0.13 0.00 0.00 42.46 41.95 1uwt s ILE 390 CO 0.00 0.00 1.19 0.00 -1.91 0.00 0.00 174.94 174.22 1uwt s ALA 391 N 0.26 3.25 -0.46 1.50 0.00 -1.26 -4.27 121.76 120.78 1uwt s ALA 391 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1uwt s ALA 391 Cb -0.03 -3.83 0.19 0.00 0.00 0.00 0.00 23.12 19.45 1uwt s ALA 391 CO 0.00 -2.02 0.79 0.34 0.00 0.00 0.00 175.76 174.87 1uwt s ASP 392 N 2.53 -1.22 0.27 0.00 2.15 -0.19 -1.28 116.67 118.93 1uwt s ASP 392 Ca 0.51 -1.26 -0.04 0.00 0.43 0.00 0.00 52.55 52.19 1uwt s ASP 392 Cb -0.11 1.59 0.35 0.00 -0.30 0.00 0.00 42.92 44.45 1uwt s ASP 392 CO 0.27 -0.06 1.88 -0.78 -0.17 0.00 0.00 175.17 176.31 1uwt h ASP 393 N 5.26 0.96 0.89 -0.34 3.58 -1.91 -2.95 116.42 121.91 1uwt h ASP 393 Ca 0.04 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 1uwt h ASP 393 Cb 1.14 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.94 1uwt h ASP 393 CO 0.00 0.79 -0.20 0.00 -2.88 0.00 0.00 179.24 176.95 1uwt h ALA 394 N 1.36 1.04 -0.54 -0.78 0.00 -1.95 -3.47 119.26 114.91 1uwt h ALA 394 Ca 0.27 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1uwt h ALA 394 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1uwt h ALA 394 CO -0.04 0.25 -0.15 -3.47 0.00 0.00 0.00 179.25 175.84 1uwt n ASP 395 N -3.38 -3.54 -0.04 0.00 2.03 -1.12 -4.97 116.55 105.52 1uwt n ASP 395 Ca 0.00 0.13 -0.12 0.00 0.52 0.00 0.00 54.79 55.31 1uwt n ASP 395 Cb 0.41 -2.02 -0.07 0.00 -0.72 0.00 0.00 41.12 38.72 1uwt n ASP 395 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1uwt h TYR 396 N 0.00 0.29 0.00 -0.67 0.05 -1.91 -3.36 116.97 111.37 1uwt h TYR 396 Ca -0.16 -0.07 -0.25 0.00 0.05 0.00 0.00 58.73 58.30 1uwt h TYR 396 Cb 0.66 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 38.29 1uwt h TYR 396 CO 0.20 0.59 -1.91 1.04 -1.05 0.00 0.00 178.16 177.02 1uwt n GLN 397 N -4.70 0.65 -0.24 4.88 6.02 -1.26 -4.60 117.38 118.13 1uwt n GLN 397 Ca -0.06 0.10 0.04 0.00 -0.01 0.00 0.00 57.00 57.07 1uwt n GLN 397 Cb 0.28 -1.66 0.17 0.00 1.02 0.00 0.00 30.24 30.04 1uwt n GLN 397 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1uwt h ARG 398 N 0.00 0.42 -0.76 -1.09 2.43 -1.93 0.31 114.38 113.75 1uwt h ARG 398 Ca -0.31 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 58.95 1uwt h ARG 398 Cb 1.85 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 31.23 1uwt h ARG 398 CO 0.04 0.28 0.37 -1.35 -1.51 0.00 0.00 179.97 177.80 1uwt h PRO 399 N 0.43 0.57 -0.33 0.20 0.11 -1.81 0.40 132.00 131.57 1uwt h PRO 399 Ca 0.39 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.32 1uwt h PRO 399 Cb 0.56 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1uwt h PRO 399 CO -0.38 0.38 -0.35 1.88 -0.21 0.00 0.00 178.00 179.32 1uwt h TYR 400 N 0.59 0.98 -0.11 0.65 -1.99 -1.47 -2.34 116.97 113.28 1uwt h TYR 400 Ca 0.39 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 1uwt h TYR 400 Cb 0.49 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 1uwt h TYR 400 CO -0.11 1.09 0.04 -0.92 -0.00 0.00 0.00 178.16 178.25 1uwt h TYR 401 N 0.59 0.17 0.66 4.88 5.03 0.06 -0.68 116.97 127.68 1uwt h TYR 401 Ca 0.05 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1uwt h TYR 401 Cb 0.93 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.17 1uwt h TYR 401 CO 0.07 0.30 -0.33 1.25 -1.32 0.00 0.00 178.16 178.13 1uwt h LEU 402 N -0.01 -0.80 -0.61 2.82 5.85 -0.26 -1.32 115.31 120.97 1uwt h LEU 402 Ca 0.04 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1uwt h LEU 402 Cb 0.21 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1uwt h LEU 402 CO -0.00 -0.55 0.28 0.58 -0.34 0.00 0.00 178.44 178.40 1uwt h VAL 403 N -0.91 1.22 -0.69 1.05 2.07 -1.42 -1.97 116.25 115.60 1uwt h VAL 403 Ca -0.09 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1uwt h VAL 403 Cb 0.71 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1uwt h VAL 403 CO 0.13 0.26 0.45 0.28 0.02 0.00 0.00 177.57 178.71 1uwt h SER 404 N 0.85 0.78 0.13 0.57 0.02 -1.04 -1.17 113.55 113.69 1uwt h SER 404 Ca 0.21 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1uwt h SER 404 Cb 0.15 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1uwt h SER 404 CO -0.02 0.56 -0.62 0.45 -1.14 0.00 0.00 176.83 176.06 1uwt h HIS 405 N 0.92 0.62 -0.70 3.45 -0.00 -0.99 -2.31 115.15 116.14 1uwt h HIS 405 Ca 0.25 -0.24 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 1uwt h HIS 405 Cb -0.09 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1uwt h HIS 405 CO -0.03 0.97 0.23 0.28 -0.00 0.00 0.00 177.93 179.39 1uwt h VAL 406 N 0.35 1.25 -0.57 2.45 2.07 -1.21 -1.72 116.25 118.88 1uwt h VAL 406 Ca -0.01 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.68 1uwt h VAL 406 Cb 1.17 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1uwt h VAL 406 CO 0.11 0.34 0.34 0.22 0.02 0.00 0.00 177.57 178.59 1uwt h TYR 407 N 1.02 0.62 -0.49 1.57 3.20 -1.03 -1.83 116.97 120.04 1uwt h TYR 407 Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1uwt h TYR 407 Cb 0.28 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1uwt h TYR 407 CO 0.02 0.34 0.23 1.96 -1.64 0.00 0.00 178.16 179.08 1uwt h GLN 408 N 0.66 0.68 -0.49 1.82 1.08 -0.84 0.18 115.11 118.21 1uwt h GLN 408 Ca 0.23 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1uwt h GLN 408 Cb 0.05 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1uwt h GLN 408 CO -0.11 0.54 0.25 0.28 -0.95 0.00 0.00 178.83 178.83 1uwt h VAL 409 N 0.68 1.18 -0.74 -0.54 2.07 -0.72 -0.73 116.25 117.45 1uwt h VAL 409 Ca 0.17 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.28 1uwt h VAL 409 Cb 0.08 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1uwt h VAL 409 CO -0.02 0.19 0.41 -0.74 0.02 0.00 0.00 177.57 177.43 1uwt h HIS 410 N 0.64 0.75 -0.64 1.57 -0.00 -0.69 -1.13 115.15 115.65 1uwt h HIS 410 Ca 0.17 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 1uwt h HIS 410 Cb 0.08 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 1uwt h HIS 410 CO -0.01 0.33 0.40 0.00 -0.00 0.00 0.00 177.93 178.65 1uwt h ARG 411 N 0.73 0.78 -0.30 5.26 3.08 -0.63 -0.69 114.38 122.60 1uwt h ARG 411 Ca 0.34 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1uwt h ARG 411 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1uwt h ARG 411 CO -0.22 0.51 0.13 0.00 -1.07 0.00 0.00 179.97 179.33 1uwt h ALA 412 N 1.27 0.38 -0.36 0.04 0.00 -0.37 -1.84 119.26 118.38 1uwt h ALA 412 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1uwt h ALA 412 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1uwt h ALA 412 CO -0.09 -0.04 0.20 0.82 0.00 0.00 0.00 179.25 180.14 1uwt h ILE 413 N 0.34 1.15 -0.85 0.00 2.04 -1.00 -2.30 117.51 116.89 1uwt h ILE 413 Ca 0.10 -0.39 0.15 0.00 1.00 0.00 0.00 64.86 65.72 1uwt h ILE 413 Cb 0.15 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1uwt h ILE 413 CO -0.01 0.15 0.55 -1.13 0.00 0.00 0.00 178.15 177.71 1uwt h ASN 414 N 0.46 0.56 0.11 1.72 -0.73 -0.90 0.72 115.58 117.52 1uwt h ASN 414 Ca 0.13 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.33 1uwt h ASN 414 Cb 0.07 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.58 1uwt h ASN 414 CO -0.02 0.28 -0.02 -1.54 -0.37 0.00 0.00 177.43 175.76 1uwt n SER 415 N -4.53 0.38 0.00 1.15 3.41 -0.71 -4.91 113.62 108.41 1uwt n SER 415 Ca 0.17 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1uwt n SER 415 Cb 0.50 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1uwt n SER 415 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwt n GLY 416 N 1.11 1.29 3.75 5.00 0.00 0.24 -5.10 105.19 111.48 1uwt n GLY 416 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1uwt n GLY 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwt s ALA 417 N -2.02 3.52 -0.82 4.61 0.00 -0.91 -4.96 121.76 121.17 1uwt s ALA 417 Ca 0.00 1.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.90 1uwt s ALA 417 Cb 0.00 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1uwt s ALA 417 CO 0.00 -0.55 1.10 0.34 0.00 0.00 0.00 175.76 176.65 1uwt s ASP 418 N 0.01 6.42 -0.11 0.00 -1.08 -1.26 -4.13 116.67 116.51 1uwt s ASP 418 Ca 0.54 -1.51 0.04 0.00 -0.52 0.00 0.00 52.55 51.09 1uwt s ASP 418 Cb -0.37 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 1uwt s ASP 418 CO 0.43 -1.28 -0.23 -0.69 0.52 0.00 0.00 175.17 173.91 1uwt s VAL 419 N 3.56 2.05 -0.48 1.11 1.01 -1.26 -0.59 120.40 125.81 1uwt s VAL 419 Ca 0.30 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1uwt s VAL 419 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1uwt s VAL 419 CO -0.01 0.56 0.40 0.54 0.00 0.00 0.00 175.10 176.59 1uwt n ARG 420 N 3.67 3.54 -3.65 2.72 1.74 -0.31 -4.97 116.66 119.40 1uwt n ARG 420 Ca -0.19 -0.25 -0.02 0.00 -0.77 0.00 0.00 57.85 56.61 1uwt n ARG 420 Cb 0.53 -0.90 -0.01 0.00 -1.02 0.00 0.00 32.46 31.06 1uwt n ARG 420 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1uwt s GLY 421 N -1.35 -0.34 -0.09 -0.13 0.00 -1.26 -2.09 107.32 102.06 1uwt s GLY 421 Ca 0.04 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.41 1uwt s GLY 421 CO 0.22 0.16 -0.02 -0.47 0.00 0.00 0.00 173.10 173.00 1uwt s TYR 422 N -2.81 0.91 -0.26 1.90 6.14 -0.50 -1.54 117.35 121.20 1uwt s TYR 422 Ca 0.12 -0.35 0.01 0.00 0.64 0.00 0.00 57.07 57.48 1uwt s TYR 422 Cb 0.01 -0.93 0.04 0.00 0.42 0.00 0.00 41.96 41.50 1uwt s TYR 422 CO -0.03 -0.39 -0.08 -0.51 0.64 0.00 0.00 175.55 175.18 1uwt s LEU 423 N 1.89 3.33 0.34 6.97 1.02 0.60 -0.84 118.68 131.98 1uwt s LEU 423 Ca 0.05 -1.15 -0.27 0.00 0.02 0.00 0.00 54.13 52.77 1uwt s LEU 423 Cb -0.12 -1.61 -0.09 0.00 0.02 0.00 0.00 46.19 44.39 1uwt s LEU 423 CO -0.06 -0.17 1.14 -2.28 0.02 0.00 0.00 176.35 175.00 1uwt s HIS 424 N 1.21 3.33 -0.40 0.29 2.46 -0.46 -3.39 115.29 118.33 1uwt s HIS 424 Ca -0.04 1.62 -0.14 0.00 0.47 0.00 0.00 55.06 56.96 1uwt s HIS 424 Cb -0.18 -3.34 0.02 0.00 -0.13 0.00 0.00 32.58 28.95 1uwt s HIS 424 CO -0.05 -0.93 0.28 -0.46 -2.47 0.00 0.00 174.74 171.11 1uwt s TRP 425 N -1.30 3.24 0.35 3.88 -0.11 0.03 -1.87 118.94 123.15 1uwt s TRP 425 Ca 0.50 -0.66 0.06 0.00 1.22 0.00 0.00 56.10 57.23 1uwt s TRP 425 Cb -0.31 -2.56 -0.02 0.00 -1.50 0.00 0.00 33.47 29.08 1uwt s TRP 425 CO 0.40 -0.60 0.34 0.45 -4.62 0.00 0.00 176.95 172.92 1uwt s SER 426 N 1.66 1.62 0.10 5.86 0.15 -0.86 -4.08 113.70 118.16 1uwt s SER 426 Ca 0.04 -1.73 -0.18 0.00 0.70 0.00 0.00 55.95 54.78 1uwt s SER 426 Cb -0.19 0.60 -0.06 0.00 -1.71 0.00 0.00 66.02 64.66 1uwt s SER 426 CO 0.09 -1.14 1.59 0.25 1.20 0.00 0.00 173.24 175.23 1uwt h LEU 427 N 2.09 0.45 -8.60 3.45 5.85 -1.76 -1.03 115.31 115.77 1uwt h LEU 427 Ca -0.25 -0.24 -0.30 0.00 0.84 0.00 0.00 57.88 57.93 1uwt h LEU 427 Cb 1.23 -0.12 -0.15 0.00 0.37 0.00 0.00 40.66 42.00 1uwt h LEU 427 CO 0.36 0.58 -0.71 0.00 -0.34 0.00 0.00 178.44 178.32 1uwt s ALA 428 N -5.26 1.35 0.62 1.25 0.00 -1.26 -0.12 121.76 118.33 1uwt s ALA 428 Ca -0.13 -1.46 -0.18 0.00 0.00 0.00 0.00 51.96 50.19 1uwt s ALA 428 Cb 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1uwt s ALA 428 CO 0.74 -0.13 0.86 -0.25 0.00 0.00 0.00 175.76 176.99 1uwt n ASP 429 N -0.15 0.31 -2.33 0.00 8.00 -0.92 -4.13 116.55 117.32 1uwt n ASP 429 Ca -0.11 0.76 -0.09 0.00 0.71 0.00 0.00 54.79 56.07 1uwt n ASP 429 Cb 0.61 -1.34 -0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1uwt n ASP 429 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1uwt n ASN 430 N -0.65 -1.21 -4.60 -2.24 0.23 -1.26 -4.78 115.26 100.75 1uwt n ASN 430 Ca 0.13 -2.24 -0.43 0.00 -0.53 0.00 0.00 54.58 51.52 1uwt n ASN 430 Cb 0.48 2.13 -0.02 0.00 -2.08 0.00 0.00 39.78 40.29 1uwt n ASN 430 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1uwt s TYR 431 N -3.85 2.84 -1.32 -2.53 5.04 -0.69 -4.66 117.35 112.18 1uwt s TYR 431 Ca 0.17 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 55.43 1uwt s TYR 431 Cb -0.02 -4.36 0.13 0.00 0.35 0.00 0.00 41.96 38.06 1uwt s TYR 431 CO 0.12 -1.23 2.13 -1.91 -1.34 0.00 0.00 175.55 173.32 1uwt n GLU 432 N 7.74 3.95 0.00 4.97 4.07 -0.02 -4.61 120.64 136.74 1uwt n GLU 432 Ca 0.11 -3.40 0.00 0.00 -0.06 0.00 0.00 57.16 53.82 1uwt n GLU 432 Cb 0.49 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 1uwt n GLU 432 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 1uwt n TRP 433 N 3.15 0.00 0.27 4.31 7.02 -1.26 -1.21 117.44 129.72 1uwt n TRP 433 Ca 0.50 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 57.12 1uwt n TRP 433 Cb 0.31 0.00 0.75 0.00 -2.42 0.00 0.00 31.31 29.96 1uwt n TRP 433 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1uwt h ALA 434 N -0.55 1.32 0.00 6.99 0.00 -1.83 -2.37 119.26 122.81 1uwt h ALA 434 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uwt h ALA 434 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uwt h ALA 434 CO 0.00 0.13 0.00 0.77 0.00 0.00 0.00 179.25 180.15 1uwt h SER 435 N 0.00 0.00 0.00 0.00 0.02 -1.49 -0.48 113.55 111.59 1uwt h SER 435 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uwt h SER 435 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1uwt h SER 435 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1uwt n GLY 436 N 0.72 -0.56 0.01 -3.77 0.00 -0.89 -4.09 105.19 96.60 1uwt n GLY 436 Ca 0.03 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 45.07 1uwt n GLY 436 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uwt n PHE 437 N 0.00 0.09 0.23 1.61 3.72 -1.26 -0.84 117.46 121.01 1uwt n PHE 437 Ca 0.00 0.03 0.09 0.00 -0.05 0.00 0.00 57.45 57.52 1uwt n PHE 437 Cb 0.00 -0.51 0.54 0.00 -0.94 0.00 0.00 39.48 38.57 1uwt n PHE 437 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1uwt h SER 438 N 0.00 0.00 -3.36 4.37 4.64 -1.90 -3.39 113.55 113.91 1uwt h SER 438 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1uwt h SER 438 Cb 0.52 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.49 1uwt h SER 438 CO 0.00 0.22 0.48 -0.04 -0.87 0.00 0.00 176.83 176.62 1uwt s MET 439 N -3.96 3.36 -0.35 4.77 -1.94 -1.26 -4.90 119.30 115.02 1uwt s MET 439 Ca -0.01 -0.23 -0.05 0.00 -1.71 0.00 0.00 55.69 53.69 1uwt s MET 439 Cb 0.12 -4.02 0.06 0.00 2.01 0.00 0.00 34.83 33.00 1uwt s MET 439 CO 0.63 -1.35 0.11 1.03 -0.01 0.00 0.00 175.02 175.43 1uwt s ARG 440 N 3.68 2.47 0.00 2.03 0.52 -1.26 -4.65 118.95 121.74 1uwt s ARG 440 Ca 0.30 -1.33 0.22 0.00 -0.52 0.00 0.00 55.73 54.39 1uwt s ARG 440 Cb -0.13 -3.44 0.20 0.00 0.52 0.00 0.00 34.95 32.11 1uwt s ARG 440 CO 0.20 -0.75 1.22 1.19 0.02 0.00 0.00 175.30 177.18 1uwt n PHE 441 N 4.74 0.06 -2.38 -0.53 3.01 -1.26 -1.02 117.46 120.08 1uwt n PHE 441 Ca -0.11 -0.04 -0.40 0.00 1.01 0.00 0.00 57.45 57.92 1uwt n PHE 441 Cb 0.44 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 1uwt n PHE 441 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1uwt s GLY 442 N -1.77 2.99 0.48 1.37 0.00 -1.26 -2.02 107.32 107.11 1uwt s GLY 442 Ca 0.27 0.96 0.14 0.00 0.00 0.00 0.00 44.72 46.10 1uwt s GLY 442 CO 0.28 1.54 2.08 1.41 0.00 0.00 0.00 173.10 178.42 1uwt h LEU 443 N 3.38 0.07 -8.99 0.66 3.38 -0.79 -3.42 115.31 109.61 1uwt h LEU 443 Ca -0.48 -0.01 -0.65 0.00 0.09 0.00 0.00 57.88 56.83 1uwt h LEU 443 Cb 1.22 -0.02 -0.20 0.00 0.09 0.00 0.00 40.66 41.76 1uwt h LEU 443 CO 0.65 0.11 -0.66 -0.76 0.09 0.00 0.00 178.44 177.88 1uwt s LEU 444 N -9.00 3.32 0.19 1.67 1.43 0.83 -2.49 118.68 114.63 1uwt s LEU 444 Ca -0.05 -0.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 1uwt s LEU 444 Cb 0.17 -1.78 -0.08 0.00 0.03 0.00 0.00 46.19 44.53 1uwt s LEU 444 CO 0.69 0.25 0.81 -0.75 0.23 0.00 0.00 176.35 177.58 1uwt s LYS 445 N -0.11 4.60 -0.19 1.70 2.20 0.72 -2.16 119.74 126.50 1uwt s LYS 445 Ca 0.03 1.21 -0.05 0.00 -0.36 0.00 0.00 55.97 56.79 1uwt s LYS 445 Cb -0.13 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 1uwt s LYS 445 CO 0.02 0.54 0.01 0.08 -0.36 0.00 0.00 175.35 175.64 1uwt s VAL 446 N -1.20 4.15 -0.50 4.02 1.01 -1.26 -0.67 120.40 125.95 1uwt s VAL 446 Ca 0.38 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 1uwt s VAL 446 Cb -0.23 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1uwt s VAL 446 CO 0.27 0.44 0.86 -0.62 0.00 0.00 0.00 175.10 176.04 1uwt s ASP 447 N 0.78 6.38 0.43 3.32 -1.08 -0.67 -4.93 116.67 120.89 1uwt s ASP 447 Ca 0.01 -0.24 0.29 0.00 -0.52 0.00 0.00 52.55 52.10 1uwt s ASP 447 Cb -0.14 -2.41 1.17 0.00 -1.46 0.00 0.00 42.92 40.08 1uwt s ASP 447 CO 0.02 -1.06 1.86 1.88 0.52 0.00 0.00 175.17 178.40 1uwt h TYR 448 N 9.13 0.00 -0.43 -5.34 0.05 -1.93 0.62 116.97 119.07 1uwt h TYR 448 Ca -0.25 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.39 1uwt h TYR 448 Cb 1.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 1uwt h TYR 448 CO 0.85 0.00 -0.27 -0.91 -1.05 0.00 0.00 178.16 176.78 1uwt h ASN 449 N 0.00 0.96 0.00 3.88 2.35 -1.93 -3.36 115.58 117.48 1uwt h ASN 449 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1uwt h ASN 449 Cb 0.48 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1uwt h ASN 449 CO 0.00 1.16 -0.38 0.35 -1.65 0.00 0.00 177.43 176.91 1uwt n THR 450 N -4.09 0.00 -1.23 2.81 -2.24 -1.04 -5.00 114.28 103.49 1uwt n THR 450 Ca -0.01 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 1uwt n THR 450 Cb 0.48 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 1uwt n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uwt n LYS 451 N -1.20 -1.32 -2.29 -0.78 4.76 0.21 -4.99 118.16 112.55 1uwt n LYS 451 Ca 0.01 0.73 -0.39 0.00 -2.87 0.00 0.00 58.31 55.79 1uwt n LYS 451 Cb 0.09 -4.89 -0.02 0.00 -1.84 0.00 0.00 35.03 28.36 1uwt n LYS 451 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1uwt s ARG 452 N -2.45 4.14 -0.06 1.97 3.52 -1.22 -4.81 118.95 120.05 1uwt s ARG 452 Ca 0.00 1.88 -0.03 0.00 -0.13 0.00 0.00 55.73 57.45 1uwt s ARG 452 Cb 0.00 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1uwt s ARG 452 CO 0.00 -0.26 0.08 -0.51 -0.81 0.00 0.00 175.30 173.80 1uwt s LEU 453 N -2.33 3.96 0.05 -0.88 1.43 -1.26 -1.68 118.68 117.98 1uwt s LEU 453 Ca 0.55 0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.95 1uwt s LEU 453 Cb -0.32 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1uwt s LEU 453 CO 0.40 0.34 -0.16 -0.31 0.23 0.00 0.00 176.35 176.85 1uwt s TYR 454 N -1.07 1.44 -0.53 0.29 1.51 0.16 -4.95 117.35 114.20 1uwt s TYR 454 Ca 0.18 -0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 55.63 1uwt s TYR 454 Cb -0.12 -0.84 0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1uwt s TYR 454 CO 0.08 0.07 0.94 -1.58 -1.11 0.00 0.00 175.55 173.95 1uwt s TRP 455 N -0.89 2.83 0.65 2.71 0.52 -1.26 -0.20 118.94 123.29 1uwt s TRP 455 Ca 0.03 0.10 -0.17 0.00 0.02 0.00 0.00 56.10 56.09 1uwt s TRP 455 Cb -0.08 -4.05 -0.01 0.00 -1.15 0.00 0.00 33.47 28.18 1uwt s TRP 455 CO 0.02 -1.28 1.19 1.03 0.02 0.00 0.00 176.95 177.92 1uwt s ARG 456 N 3.91 2.69 0.46 4.98 0.52 -1.04 -4.91 118.95 125.57 1uwt s ARG 456 Ca 0.32 1.73 0.23 0.00 -0.52 0.00 0.00 55.73 57.50 1uwt s ARG 456 Cb -0.12 -1.90 1.24 0.00 0.52 0.00 0.00 34.95 34.69 1uwt s ARG 456 CO 0.21 -1.40 1.86 -1.35 0.02 0.00 0.00 175.30 174.64 1uwt h PRO 457 N 0.39 0.24 -0.24 3.54 0.11 -1.93 0.46 132.00 134.57 1uwt h PRO 457 Ca -0.49 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1uwt h PRO 457 Cb 1.29 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1uwt h PRO 457 CO 0.53 0.16 0.17 0.77 -0.21 0.00 0.00 178.00 179.42 1uwt h SER 458 N 0.24 0.03 -0.62 -2.05 0.02 -1.89 -1.37 113.55 107.92 1uwt h SER 458 Ca 0.47 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.34 1uwt h SER 458 Cb 1.42 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.93 1uwt h SER 458 CO -0.12 0.02 0.11 0.00 -1.14 0.00 0.00 176.83 175.70 1uwt h ALA 459 N 1.88 0.82 -0.87 3.77 0.00 -1.05 0.14 119.26 123.95 1uwt h ALA 459 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1uwt h ALA 459 Cb 0.40 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1uwt h ALA 459 CO -0.01 0.57 0.44 -0.07 0.00 0.00 0.00 179.25 180.19 1uwt h LEU 460 N 0.93 1.11 -0.50 0.00 3.38 -1.30 0.23 115.31 119.16 1uwt h LEU 460 Ca 0.19 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1uwt h LEU 460 Cb 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1uwt h LEU 460 CO 0.01 0.92 0.07 0.58 0.09 0.00 0.00 178.44 180.10 1uwt h VAL 461 N 1.22 1.25 -0.41 1.22 2.07 -0.99 -2.48 116.25 118.13 1uwt h VAL 461 Ca 0.30 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1uwt h VAL 461 Cb 0.08 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1uwt h VAL 461 CO -0.04 0.34 -0.11 0.22 0.02 0.00 0.00 177.57 178.00 1uwt h TYR 462 N 0.71 0.80 -0.99 1.57 3.20 -0.40 -2.12 116.97 119.75 1uwt h TYR 462 Ca 0.15 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1uwt h TYR 462 Cb 0.42 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 1uwt h TYR 462 CO 0.03 0.80 0.63 -0.09 -1.64 0.00 0.00 178.16 177.90 1uwt h ARG 463 N 0.67 1.12 -0.30 1.82 2.43 -0.71 0.67 114.38 120.08 1uwt h ARG 463 Ca 0.12 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1uwt h ARG 463 Cb 0.57 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1uwt h ARG 463 CO 0.04 0.74 0.19 0.93 -1.51 0.00 0.00 179.97 180.35 1uwt h GLU 464 N 1.15 0.40 -0.04 0.20 4.39 -0.94 -0.99 114.58 118.74 1uwt h GLU 464 Ca 0.42 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 1uwt h GLU 464 Cb 0.16 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1uwt h GLU 464 CO -0.17 0.28 0.01 0.82 -1.16 0.00 0.00 179.01 178.79 1uwt h ILE 465 N 0.39 1.18 -0.15 3.13 2.04 -0.95 -2.72 117.51 120.43 1uwt h ILE 465 Ca 0.11 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1uwt h ILE 465 Cb -0.02 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1uwt h ILE 465 CO -0.02 0.15 -0.15 0.00 0.00 0.00 0.00 178.15 178.13 1uwt h ALA 466 N 0.80 0.23 -0.51 1.87 0.00 -0.73 0.17 119.26 121.08 1uwt h ALA 466 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1uwt h ALA 466 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1uwt h ALA 466 CO -0.00 0.11 0.19 1.15 0.00 0.00 0.00 179.25 180.70 1uwt h THR 467 N 0.01 1.20 0.00 0.00 2.02 -1.28 -2.81 112.91 112.05 1uwt h THR 467 Ca 0.03 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1uwt h THR 467 Cb 0.68 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1uwt h THR 467 CO 0.04 0.25 -0.65 0.59 0.37 0.00 0.00 175.52 176.12 1uwt n ASN 468 N -4.33 0.62 -1.97 4.18 3.02 -1.03 -4.96 115.26 110.80 1uwt n ASN 468 Ca 0.04 -0.04 -0.17 0.00 -0.03 0.00 0.00 54.58 54.39 1uwt n ASN 468 Cb 0.17 0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1uwt n ASN 468 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwt n GLY 469 N 1.39 -0.32 3.51 7.41 0.00 0.54 -4.94 105.19 112.78 1uwt n GLY 469 Ca 0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1uwt n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwt s ALA 470 N -2.86 -1.80 -0.36 4.61 0.00 -0.83 -1.20 121.76 119.33 1uwt s ALA 470 Ca 0.03 1.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 1uwt s ALA 470 Cb -0.01 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1uwt s ALA 470 CO 0.03 -0.52 1.35 0.42 0.00 0.00 0.00 175.76 177.04 1uwt s ILE 471 N -2.21 4.02 0.71 0.00 1.01 -0.32 -4.10 121.20 120.31 1uwt s ILE 471 Ca -0.02 1.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.62 1uwt s ILE 471 Cb -0.01 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.29 1uwt s ILE 471 CO -0.02 -0.64 1.07 0.42 0.00 0.00 0.00 174.94 175.77 1uwt s THR 472 N 4.91 3.87 0.27 2.92 -4.23 -1.26 -1.50 115.64 120.62 1uwt s THR 472 Ca 0.58 0.61 0.01 0.00 -1.18 0.00 0.00 61.69 61.71 1uwt s THR 472 Cb -0.15 -3.35 0.26 0.00 1.34 0.00 0.00 72.50 70.60 1uwt s THR 472 CO 0.28 -0.79 1.75 0.44 -0.54 0.00 0.00 174.62 175.76 1uwt h ASP 473 N -0.78 0.52 0.69 3.99 3.32 -1.95 -2.53 116.42 119.69 1uwt h ASP 473 Ca -0.44 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1uwt h ASP 473 Cb 1.22 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1uwt h ASP 473 CO 0.57 0.18 -0.05 1.05 -1.72 0.00 0.00 179.24 179.28 1uwt h GLU 474 N 0.60 0.00 -0.19 3.56 9.09 -2.02 -3.06 114.58 122.56 1uwt h GLU 474 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 1uwt h GLU 474 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1uwt h GLU 474 CO -0.40 0.05 0.00 0.44 0.05 0.00 0.00 179.01 179.15 1uwt n ILE 475 N -3.22 1.14 0.29 -1.06 -5.35 -0.97 -4.68 119.36 105.50 1uwt n ILE 475 Ca -0.01 -1.13 0.18 0.00 -0.27 0.00 0.00 62.75 61.52 1uwt n ILE 475 Cb 0.26 0.40 0.78 0.00 -1.74 0.00 0.00 39.64 39.35 1uwt n ILE 475 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1uwt h GLU 476 N 1.11 0.00 0.00 6.28 4.81 -1.40 -1.53 114.58 123.85 1uwt h GLU 476 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1uwt h GLU 476 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1uwt h GLU 476 CO 0.02 0.01 0.00 1.12 -0.73 0.00 0.00 179.01 179.43 1uwt h HIS 477 N 0.00 0.00 0.00 0.92 2.07 -1.83 -2.47 115.15 113.84 1uwt h HIS 477 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1uwt h HIS 477 Cb 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 1uwt h HIS 477 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1uwt n LEU 478 N -3.07 0.00 -3.59 6.12 4.77 -0.58 -3.93 117.00 116.72 1uwt n LEU 478 Ca -0.01 0.20 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1uwt n LEU 478 Cb 0.22 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1uwt n LEU 478 CO 0.25 -0.02 2.87 -3.20 -1.33 0.00 0.00 177.39 175.95 1uwt n ASN 479 N -1.20 5.84 -3.86 -1.43 5.15 -0.93 -3.87 115.26 114.95 1uwt n ASN 479 Ca 0.15 -2.78 -0.07 0.00 -0.60 0.00 0.00 54.58 51.28 1uwt n ASN 479 Cb 0.18 -1.60 -0.02 0.00 -0.53 0.00 0.00 39.78 37.81 1uwt n ASN 479 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1uwt s SER 480 N 2.52 -0.25 0.09 1.20 1.04 -1.25 -4.93 113.70 112.12 1uwt s SER 480 Ca 0.55 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 1uwt s SER 480 Cb 0.15 0.71 -0.06 0.00 0.10 0.00 0.00 66.02 66.93 1uwt s SER 480 CO -0.07 -1.32 1.07 -0.69 0.98 0.00 0.00 173.24 173.21 1uwt s VAL 481 N -3.93 4.26 0.20 5.02 1.01 -1.26 -4.76 120.40 120.94 1uwt s VAL 481 Ca 0.12 1.76 -0.32 0.00 0.00 0.00 0.00 61.98 63.53 1uwt s VAL 481 Cb -0.05 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 1uwt s VAL 481 CO 0.07 0.21 1.38 -2.65 0.00 0.00 0.00 175.10 174.11 1uwt n PRO 482 N 3.22 1.80 -1.71 2.72 -0.02 -1.26 -4.84 135.00 134.91 1uwt n PRO 482 Ca 0.05 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1uwt n PRO 482 Cb 0.48 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1uwt n PRO 482 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1uwt s PRO 483 N -0.11 4.13 0.33 0.52 0.02 -1.26 -4.82 135.00 133.81 1uwt s PRO 483 Ca 0.72 2.60 0.18 0.00 0.02 0.00 0.00 61.00 64.53 1uwt s PRO 483 Cb -0.72 -3.57 0.15 0.00 0.02 0.00 0.00 34.50 30.38 1uwt s PRO 483 CO 0.48 -0.84 1.47 -0.39 -0.33 0.00 0.00 177.00 177.39 1uwt h VAL 484 N 4.64 0.53 -0.57 3.83 -1.51 -1.93 -3.38 116.25 117.86 1uwt h VAL 484 Ca -0.46 -1.75 0.08 0.00 -1.23 0.00 0.00 66.70 63.33 1uwt h VAL 484 Cb 1.22 2.24 -0.06 0.00 -2.13 0.00 0.00 31.29 32.55 1uwt h VAL 484 CO 0.95 0.30 0.23 0.50 -1.23 0.00 0.00 177.57 178.32 1uwt h LYS 485 N 0.00 0.42 0.00 5.19 3.11 -1.98 -1.82 116.57 121.50 1uwt h LYS 485 Ca -0.01 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1uwt h LYS 485 Cb 1.25 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 1uwt h LYS 485 CO 0.04 0.28 0.00 -2.30 -2.81 0.00 0.00 179.45 174.66 1uwt n PRO 486 N -4.96 0.11 -2.66 1.90 -0.02 -1.26 -4.87 135.00 123.24 1uwt n PRO 486 Ca 0.07 0.18 -0.26 0.00 -2.02 0.00 0.00 63.50 61.47 1uwt n PRO 486 Cb 0.22 -1.65 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1uwt n PRO 486 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uwt s LEU 487 N -3.69 3.47 0.37 2.45 1.43 -0.68 -5.05 118.68 116.98 1uwt s LEU 487 Ca 0.10 0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 53.55 1uwt s LEU 487 Cb 0.14 -3.50 -0.10 0.00 0.03 0.00 0.00 46.19 42.75 1uwt s LEU 487 CO 0.48 -0.82 1.40 -0.60 0.23 0.00 0.00 176.35 177.04 1uwt s ARG 488 N -4.78 4.17 0.00 1.70 3.52 -1.26 -5.01 118.95 117.29 1uwt s ARG 488 Ca 0.50 2.40 0.15 0.00 -0.13 0.00 0.00 55.73 58.65 1uwt s ARG 488 Cb -0.10 -2.98 0.12 0.00 -1.56 0.00 0.00 34.95 30.43 1uwt s ARG 488 CO 0.43 -0.42 0.97 1.58 -0.81 0.00 0.00 175.30 177.05