#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 2.31 -0.11 3.17 2.02 -0.37 -5.00 117.35 119.38 1uwt s TYR 2 Ca 0.00 -1.81 -0.07 0.00 -0.37 0.00 0.00 57.07 54.82 1uwt s TYR 2 Cb 0.00 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1uwt s TYR 2 CO 0.00 -0.80 0.16 -1.12 -1.57 0.00 0.00 175.55 172.22 1uwt s SER 3 N 1.42 6.41 0.19 2.29 0.01 -1.26 -0.98 113.70 121.77 1uwt s SER 3 Ca -0.01 0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.78 1uwt s SER 3 Cb -0.18 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 1uwt s SER 3 CO -0.10 0.40 0.28 -0.36 0.41 0.00 0.00 173.24 173.87 1uwt s PHE 4 N -1.05 3.39 0.59 2.43 0.40 -0.35 -5.00 117.98 118.39 1uwt s PHE 4 Ca 0.16 0.03 -0.18 0.00 -0.60 0.00 0.00 56.93 56.35 1uwt s PHE 4 Cb -0.12 -1.59 -0.10 0.00 0.51 0.00 0.00 43.02 41.72 1uwt s PHE 4 CO 0.05 0.49 0.33 -2.30 0.70 0.00 0.00 175.22 174.49 1uwt n PRO 5 N -0.85 0.34 0.28 0.24 -0.02 -1.26 -4.86 135.00 128.87 1uwt n PRO 5 Ca -0.08 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.68 1uwt n PRO 5 Cb 0.55 -1.53 0.84 0.00 -0.02 0.00 0.00 33.50 33.34 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 0.05 0.00 0.18 2.55 2.35 -1.98 -2.56 115.58 116.17 1uwt h ASN 6 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1uwt h ASN 6 Cb 1.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1uwt h ASN 6 CO 0.44 0.06 -0.34 -1.54 -1.65 0.00 0.00 177.43 174.40 1uwt n SER 7 N -3.63 1.26 -4.75 5.81 3.41 -1.26 -4.94 113.62 109.51 1uwt n SER 7 Ca -0.02 -1.02 -0.41 0.00 -0.26 0.00 0.00 58.87 57.16 1uwt n SER 7 Cb 0.17 0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 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 -2.53 3.50 -0.05 7.33 2.19 -0.97 -4.96 117.98 122.48 1uwt s PHE 8 Ca 0.22 1.57 0.06 0.00 0.33 0.00 0.00 56.93 59.11 1uwt s PHE 8 Cb 0.19 -3.36 -0.01 0.00 -1.31 0.00 0.00 43.02 38.53 1uwt s PHE 8 CO 0.55 -0.86 -0.24 1.03 1.83 0.00 0.00 175.22 177.53 1uwt s ARG 9 N -0.90 2.46 -0.14 10.12 0.52 -0.85 -4.98 118.95 125.18 1uwt s ARG 9 Ca 0.48 -0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 54.75 1uwt s ARG 9 Cb -0.32 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 1uwt s ARG 9 CO 0.39 0.44 0.07 -0.06 0.02 0.00 0.00 175.30 176.16 1uwt s PHE 10 N -0.31 3.32 0.00 -0.53 0.08 -1.26 -1.21 117.98 118.06 1uwt s PHE 10 Ca 0.01 0.23 0.00 0.00 0.12 0.00 0.00 56.93 57.29 1uwt s PHE 10 Cb -0.13 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.37 1uwt s PHE 10 CO 0.02 0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 1uwt n GLY 11 N 2.71 3.48 3.34 4.36 0.00 0.55 -0.70 105.19 118.92 1uwt n GLY 11 Ca -0.18 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.03 -0.29 0.23 1.61 -2.14 -1.13 -1.45 118.94 115.75 1uwt s TRP 12 Ca 0.00 0.12 0.11 0.00 2.66 0.00 0.00 56.10 58.99 1uwt s TRP 12 Cb 0.00 0.28 -0.05 0.00 -3.10 0.00 0.00 33.47 30.61 1uwt s TRP 12 CO 0.00 -0.66 -0.15 -1.12 -2.66 0.00 0.00 176.95 172.36 1uwt s SER 13 N -2.42 3.90 -0.05 -2.66 0.01 -0.82 -1.57 113.70 110.09 1uwt s SER 13 Ca -0.01 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.15 1uwt s SER 13 Cb 0.00 -0.50 0.07 0.00 0.21 0.00 0.00 66.02 65.80 1uwt s SER 13 CO -0.08 0.07 0.67 -1.58 0.41 0.00 0.00 173.24 172.73 1uwt s GLN 14 N -3.15 1.05 0.07 12.44 0.74 -0.82 -4.21 119.66 125.79 1uwt s GLN 14 Ca 0.27 0.24 0.08 0.00 0.05 0.00 0.00 55.36 56.00 1uwt s GLN 14 Cb -0.07 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 1uwt s GLN 14 CO 0.15 -0.33 -0.19 0.00 -0.55 0.00 0.00 175.29 174.37 1uwt s ALA 15 N -1.19 2.60 0.06 1.58 0.00 -1.26 -4.08 121.76 119.47 1uwt s ALA 15 Ca -0.11 -1.27 -0.25 0.00 0.00 0.00 0.00 51.96 50.33 1uwt s ALA 15 Cb -0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 23.12 22.28 1uwt s ALA 15 CO 0.10 0.58 1.61 0.78 0.00 0.00 0.00 175.76 178.83 1uwt h GLY 16 N 4.21 -0.20 1.49 0.00 0.00 -1.91 -2.27 103.07 104.38 1uwt h GLY 16 Ca -0.49 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1uwt h GLY 16 CO 0.46 -0.07 0.29 -2.75 0.00 0.00 0.00 176.54 174.47 1uwt h PHE 17 N -0.29 0.66 0.00 5.60 3.57 -1.95 0.35 116.94 124.88 1uwt h PHE 17 Ca -0.02 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 1uwt h PHE 17 Cb 0.23 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1uwt h PHE 17 CO -0.04 0.45 -0.87 1.96 -2.23 0.00 0.00 178.31 177.59 1uwt h GLN 18 N 0.69 0.00 0.00 1.11 4.20 -1.77 -3.41 115.11 115.94 1uwt h GLN 18 Ca 0.18 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1uwt h GLN 18 Cb -0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1uwt h GLN 18 CO -0.03 0.87 -1.12 0.43 -0.67 0.00 0.00 178.83 178.30 1uwt n SER 19 N -3.51 4.52 -0.00 1.46 7.64 -0.87 -1.62 113.62 121.23 1uwt n SER 19 Ca -0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1uwt n SER 19 Cb 0.83 0.76 -0.07 0.00 -1.01 0.00 0.00 64.21 64.71 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 0.08 -7.18 1.43 5.08 -1.13 0.98 114.58 113.85 1uwt h GLU 20 Ca -0.03 -0.02 -0.48 0.00 -1.00 0.00 0.00 59.36 57.83 1uwt h GLU 20 Cb 0.73 -0.01 0.04 0.00 0.50 0.00 0.00 28.75 30.01 1uwt h GLU 20 CO 0.00 0.25 0.38 -1.64 -1.00 0.00 0.00 179.01 177.00 1uwt s MET 21 N -5.42 3.64 0.00 2.33 -1.94 -1.26 -0.96 119.30 115.69 1uwt s MET 21 Ca -0.14 1.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.96 1uwt s MET 21 Cb 0.05 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.81 1uwt s MET 21 CO 0.68 -0.54 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 1uwt n GLY 22 N -1.13 1.17 3.92 -0.03 0.00 -1.23 -1.06 105.19 106.83 1uwt n GLY 22 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 5.30 0.06 2.61 -4.23 -1.26 -4.73 115.64 113.38 1uwt s THR 23 Ca 0.00 -0.29 -0.37 0.00 -1.18 0.00 0.00 61.69 59.86 1uwt s THR 23 Cb 0.00 -3.65 -0.16 0.00 1.34 0.00 0.00 72.50 70.03 1uwt s THR 23 CO 0.00 0.06 1.42 -2.65 -0.54 0.00 0.00 174.62 172.90 1uwt n PRO 24 N 0.05 1.30 -0.48 3.99 -0.02 -1.26 -1.80 135.00 136.78 1uwt n PRO 24 Ca -0.04 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1uwt n PRO 24 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 2.82 0.75 0.34 -1.23 0.00 -1.26 -4.92 105.19 101.69 1uwt n GLY 25 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 1.67 -4.74 1.61 3.41 -0.74 -5.00 113.62 109.83 1uwt n SER 26 Ca 0.00 -1.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 1uwt n SER 26 Cb 0.00 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 1uwt n SER 26 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1uwt s GLU 27 N -2.63 4.13 -0.44 4.33 2.12 -1.26 -4.69 118.70 120.26 1uwt s GLU 27 Ca 0.16 2.58 0.03 0.00 0.36 0.00 0.00 54.97 58.09 1uwt s GLU 27 Cb 0.18 -3.05 0.13 0.00 0.26 0.00 0.00 34.13 31.64 1uwt s GLU 27 CO 0.65 -0.68 0.21 0.34 -0.54 0.00 0.00 175.26 175.24 1uwt s ASP 28 N 0.83 3.98 0.00 -1.70 2.15 -1.26 -4.98 116.67 115.68 1uwt s ASP 28 Ca 0.69 -2.61 0.24 0.00 0.43 0.00 0.00 52.55 51.30 1uwt s ASP 28 Cb -0.48 -1.25 1.36 0.00 -0.30 0.00 0.00 42.92 42.25 1uwt s ASP 28 CO 0.40 -0.28 1.88 -0.81 -0.17 0.00 0.00 175.17 176.19 1uwt n PRO 29 N 3.60 1.09 -1.21 4.34 -0.04 -1.26 -4.46 135.00 137.06 1uwt n PRO 29 Ca 0.06 -0.13 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 1uwt n PRO 29 Cb 0.35 -1.38 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.73 3.93 -4.64 3.54 3.02 -1.26 -4.63 115.26 114.48 1uwt n ASN 30 Ca 0.18 -3.63 -0.24 0.00 -0.03 0.00 0.00 54.58 50.86 1uwt n ASN 30 Cb 0.11 -0.84 -0.08 0.00 -0.61 0.00 0.00 39.78 38.37 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 -3.40 2.89 0.23 3.41 -4.23 -1.26 -0.77 115.64 112.51 1uwt s THR 31 Ca 0.57 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1uwt s THR 31 Cb 0.48 -2.80 0.21 0.00 1.34 0.00 0.00 72.50 71.72 1uwt s THR 31 CO 0.10 -0.25 1.87 -2.24 -0.54 0.00 0.00 174.62 173.55 1uwt h ASP 32 N 1.81 0.90 -0.60 3.99 2.03 -1.39 -2.32 116.42 120.84 1uwt h ASP 32 Ca -0.43 -0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.79 1uwt h ASP 32 Cb 1.25 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.53 1uwt h ASP 32 CO 0.64 0.61 0.05 -0.50 -1.03 0.00 0.00 179.24 179.01 1uwt h TRP 33 N 1.05 1.09 -0.04 4.15 4.06 -1.93 0.17 115.95 124.50 1uwt h TRP 33 Ca 0.35 -0.17 0.01 0.00 2.06 0.00 0.00 58.89 61.14 1uwt h TRP 33 Cb 0.04 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 1uwt h TRP 33 CO -0.02 0.96 -0.02 -0.92 -3.56 0.00 0.00 178.44 174.88 1uwt h TYR 34 N 0.91 -0.04 -0.74 0.49 5.03 -1.85 -1.18 116.97 119.60 1uwt h TYR 34 Ca 0.18 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.43 1uwt h TYR 34 Cb 0.48 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1uwt h TYR 34 CO 0.04 -0.03 0.22 -0.22 -1.32 0.00 0.00 178.16 176.85 1uwt h LYS 35 N -0.01 1.17 -0.48 1.82 3.64 -0.98 -2.40 116.57 119.33 1uwt h LYS 35 Ca 0.02 -0.26 0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1uwt h LYS 35 Cb 0.05 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1uwt h LYS 35 CO -0.05 1.00 0.24 2.35 -2.27 0.00 0.00 179.45 180.71 1uwt h TRP 36 N 1.11 0.44 0.00 1.91 2.91 -0.34 -1.77 115.95 120.21 1uwt h TRP 36 Ca 0.24 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.28 1uwt h TRP 36 Cb 0.33 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1uwt h TRP 36 CO 0.03 0.21 0.00 -0.39 -1.03 0.00 0.00 178.44 177.26 1uwt h VAL 37 N 0.47 0.00 -0.01 2.65 -1.51 -1.03 -2.94 116.25 113.88 1uwt h VAL 37 Ca 0.21 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1uwt h VAL 37 Cb 0.12 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1uwt h VAL 37 CO -0.15 0.00 -0.28 1.41 -1.23 0.00 0.00 177.57 177.32 1uwt n HIS 38 N -2.58 0.00 -2.14 5.19 8.25 -0.91 -4.72 115.22 118.32 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 0.45 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.58 6.76 0.27 0.41 2.15 -0.71 -4.91 116.67 118.05 1uwt s ASP 39 Ca 0.22 2.13 -0.02 0.00 0.43 0.00 0.00 52.55 55.32 1uwt s ASP 39 Cb 0.19 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.72 1uwt s ASP 39 CO 0.54 -0.83 1.85 -0.65 -0.17 0.00 0.00 175.17 175.92 1uwt h PRO 40 N 8.67 1.01 -0.33 4.34 0.11 -1.91 -0.69 132.00 143.19 1uwt h PRO 40 Ca -0.37 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 1uwt h PRO 40 Cb 1.17 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1uwt h PRO 40 CO 0.94 0.67 -0.36 0.93 -0.21 0.00 0.00 178.00 179.97 1uwt h GLU 41 N 1.04 0.83 -0.88 1.05 5.08 -1.98 -0.76 114.58 118.96 1uwt h GLU 41 Ca 0.45 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uwt h GLU 41 Cb 0.32 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1uwt h GLU 41 CO -0.22 1.08 0.56 -0.91 -1.00 0.00 0.00 179.01 178.53 1uwt h ASN 42 N 0.61 1.03 -0.11 1.42 2.35 -1.76 -1.32 115.58 117.79 1uwt h ASN 42 Ca 0.05 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1uwt h ASN 42 Cb 0.94 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 1uwt h ASN 42 CO 0.09 0.76 0.01 0.24 -1.65 0.00 0.00 177.43 176.88 1uwt h MET 43 N 1.20 0.20 -0.27 0.81 2.86 -0.99 -0.81 114.93 117.93 1uwt h MET 43 Ca 0.32 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.85 1uwt h MET 43 Cb -0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1uwt h MET 43 CO -0.07 0.43 -0.06 0.00 1.06 0.00 0.00 176.91 178.28 1uwt h ALA 44 N 0.76 1.40 0.00 6.32 0.00 -0.91 -0.78 119.26 126.05 1uwt h ALA 44 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1uwt h ALA 44 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uwt h ALA 44 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1uwt n ALA 45 N -2.48 1.97 -1.25 0.00 0.00 -0.52 -4.92 120.51 113.31 1uwt n ALA 45 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1uwt n ALA 45 Cb 0.26 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1uwt n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uwt n GLY 46 N 0.66 0.97 0.12 0.00 0.00 -0.30 -4.91 105.19 101.73 1uwt n GLY 46 Ca 0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -9.01 0.99 3.38 -1.39 -3.43 115.31 105.84 1uwt h LEU 47 Ca -0.16 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.28 1uwt h LEU 47 Cb 0.53 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.13 1uwt h LEU 47 CO 0.24 0.68 -0.75 0.68 0.09 0.00 0.00 178.44 179.38 1uwt s VAL 48 N -3.32 2.06 -0.06 1.22 -7.23 -1.18 -4.16 120.40 107.73 1uwt s VAL 48 Ca -0.00 -2.24 0.18 0.00 -1.81 0.00 0.00 61.98 58.11 1uwt s VAL 48 Cb 0.11 -2.12 0.13 0.00 0.56 0.00 0.00 36.38 35.07 1uwt s VAL 48 CO 0.77 -0.47 1.59 0.77 -0.31 0.00 0.00 175.10 177.45 1uwt h SER 49 N 2.56 0.00 0.00 4.85 4.64 -1.43 -3.42 113.55 120.75 1uwt h SER 49 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1uwt h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1uwt h SER 49 CO 0.59 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 1uwt n GLY 50 N 0.82 2.01 3.78 -0.77 0.00 -1.26 -5.04 105.19 104.73 1uwt n GLY 50 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.46 5.47 -0.04 1.61 1.01 -1.26 -5.05 116.67 116.95 1uwt s ASP 51 Ca 0.00 1.97 0.04 0.00 0.71 0.00 0.00 52.55 55.27 1uwt s ASP 51 Cb 0.00 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 1uwt s ASP 51 CO 0.00 -1.38 -0.16 -0.76 0.21 0.00 0.00 175.17 173.07 1uwt s LEU 52 N -4.52 1.93 0.56 1.23 1.43 -1.26 -4.93 118.68 113.11 1uwt s LEU 52 Ca 0.67 -0.33 0.29 0.00 -1.03 0.00 0.00 54.13 53.73 1uwt s LEU 52 Cb -0.19 -0.91 1.65 0.00 0.03 0.00 0.00 46.19 46.76 1uwt s LEU 52 CO 0.37 0.16 2.16 1.55 0.23 0.00 0.00 176.35 180.82 1uwt h PRO 53 N 6.15 0.00 0.00 1.29 0.13 -1.97 -2.09 132.00 135.51 1uwt h PRO 53 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1uwt h PRO 53 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1uwt h PRO 53 CO 0.48 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.46 1uwt n GLU 54 N -3.71 0.10 -1.04 0.86 0.00 -1.26 -1.69 120.64 113.90 1uwt n GLU 54 Ca -0.02 0.19 -0.09 0.00 0.00 0.00 0.00 57.16 57.24 1uwt n GLU 54 Cb 0.16 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.38 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 -1.40 4.65 -2.05 -1.84 3.02 -0.79 -3.46 115.26 113.39 1uwt n ASN 55 Ca 0.05 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 1uwt n ASN 55 Cb 0.16 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1uwt n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwt n GLY 56 N -0.26 -0.10 0.00 7.41 0.00 -0.68 -4.89 105.19 106.66 1uwt n GLY 56 Ca 0.43 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.54 0.05 -2.98 1.61 -0.04 -1.13 -4.24 135.00 127.73 1uwt n PRO 57 Ca 0.00 0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.44 1uwt n PRO 57 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.83 -0.04 0.22 0.55 0.00 -0.22 -4.89 105.19 101.64 1uwt n GLY 58 Ca 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.33 0.05 -0.49 1.61 3.20 -0.20 -0.28 116.97 119.53 1uwt h TYR 59 Ca -0.36 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.60 1uwt h TYR 59 Cb 1.22 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.39 1uwt h TYR 59 CO 0.29 0.24 -0.08 2.35 -1.64 0.00 0.00 178.16 179.31 1uwt h TRP 60 N 0.05 -0.18 0.00 -3.82 2.91 -1.26 -0.41 115.95 113.24 1uwt h TRP 60 Ca 0.01 0.04 -0.26 0.00 1.13 0.00 0.00 58.89 59.81 1uwt h TRP 60 Cb 0.37 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.13 1uwt h TRP 60 CO 0.00 -0.18 -1.59 0.78 -1.03 0.00 0.00 178.44 176.42 1uwt h GLY 61 N 0.04 0.00 -1.94 2.65 0.00 -1.75 -3.40 103.07 98.67 1uwt h GLY 61 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1uwt h GLY 61 CO -0.47 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.77 1uwt n ASN 62 N -3.04 3.66 -0.36 0.19 3.02 -0.13 -4.71 115.26 113.89 1uwt n ASN 62 Ca -0.14 -2.27 0.32 0.00 -0.03 0.00 0.00 54.58 52.45 1uwt n ASN 62 Cb 1.00 -0.40 0.65 0.00 -0.61 0.00 0.00 39.78 40.42 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 2.78 0.32 -0.37 3.10 -0.00 -1.27 -1.72 116.97 119.82 1uwt h TYR 63 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 58.69 1uwt h TYR 63 Cb 1.05 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 37.68 1uwt h TYR 63 CO 0.43 -0.01 0.02 0.87 -0.00 0.00 0.00 178.16 179.48 1uwt h LYS 64 N 0.16 0.64 -0.75 0.10 1.57 -1.87 -0.65 116.57 115.76 1uwt h LYS 64 Ca 0.63 -0.19 0.04 0.00 -1.87 0.00 0.00 60.65 59.26 1uwt h LYS 64 Cb 2.09 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 34.29 1uwt h LYS 64 CO -0.17 0.73 0.46 1.15 -0.57 0.00 0.00 179.45 181.05 1uwt h THR 65 N 0.46 1.07 0.14 -0.16 2.02 -1.70 0.16 112.91 114.89 1uwt h THR 65 Ca 0.11 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1uwt h THR 65 Cb 0.43 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1uwt h THR 65 CO 0.02 0.16 -0.08 -0.26 0.37 0.00 0.00 175.52 175.72 1uwt h PHE 66 N 0.88 -0.22 -0.43 3.16 -1.00 -1.21 -2.08 116.94 116.05 1uwt h PHE 66 Ca 0.31 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 61.03 1uwt h PHE 66 Cb 0.07 0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1uwt h PHE 66 CO -0.04 -0.13 0.01 0.45 -1.61 0.00 0.00 178.31 176.98 1uwt h HIS 67 N -0.22 0.73 -0.82 -0.55 3.86 -0.89 -0.63 115.15 116.63 1uwt h HIS 67 Ca -0.01 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1uwt h HIS 67 Cb 0.18 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1uwt h HIS 67 CO -0.08 0.69 0.54 0.22 0.86 0.00 0.00 177.93 180.15 1uwt h ASP 68 N 0.66 0.93 -0.02 2.45 3.58 -0.38 -0.45 116.42 123.18 1uwt h ASP 68 Ca 0.13 -0.02 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 1uwt h ASP 68 Cb 0.40 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.23 1uwt h ASP 68 CO 0.01 0.67 -0.78 0.78 -2.88 0.00 0.00 179.24 177.04 1uwt h ASN 69 N 1.10 0.81 -0.68 2.28 2.35 -1.04 -1.74 115.58 118.65 1uwt h ASN 69 Ca 0.30 -0.54 -0.05 0.00 -0.55 0.00 0.00 56.30 55.47 1uwt h ASN 69 Cb -0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 1uwt h ASN 69 CO -0.07 1.32 0.24 0.00 -1.65 0.00 0.00 177.43 177.27 1uwt h ALA 70 N 0.66 1.10 -0.16 -0.83 0.00 -0.88 -0.98 119.26 118.17 1uwt h ALA 70 Ca -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1uwt h ALA 70 Cb 1.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1uwt h ALA 70 CO 0.15 0.62 -0.03 0.37 0.00 0.00 0.00 179.25 180.37 1uwt h GLN 71 N 1.03 0.31 -0.50 0.00 4.15 -1.07 -1.63 115.11 117.41 1uwt h GLN 71 Ca 0.23 -0.11 0.14 0.00 0.77 0.00 0.00 58.65 59.67 1uwt h GLN 71 Cb 0.26 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1uwt h GLN 71 CO -0.01 0.57 0.35 0.87 -1.93 0.00 0.00 178.83 178.68 1uwt h LYS 72 N 0.02 0.04 -0.01 1.69 1.57 -1.17 -0.74 116.57 117.98 1uwt h LYS 72 Ca 0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1uwt h LYS 72 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1uwt h LYS 72 CO 0.01 0.03 -0.01 -0.12 -0.57 0.00 0.00 179.45 178.79 1uwt n MET 73 N -4.40 1.28 -1.06 3.15 1.56 -0.39 -4.91 117.12 112.35 1uwt n MET 73 Ca 0.09 -0.46 -0.02 0.00 -0.27 0.00 0.00 57.70 57.04 1uwt n MET 73 Cb 0.54 -1.49 -0.01 0.00 2.15 0.00 0.00 33.22 34.41 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 1.10 0.54 3.78 -5.12 0.00 -0.28 -4.17 105.19 101.05 1uwt n GLY 74 Ca 0.21 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.44 3.86 0.00 0.99 1.43 -0.63 -4.47 118.68 119.42 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 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1uwt s LEU 75 CO 0.00 -0.92 0.44 0.29 0.23 0.00 0.00 176.35 176.40 1uwt n LYS 76 N -0.92 0.34 -3.79 1.70 4.01 0.12 -4.71 118.16 114.91 1uwt n LYS 76 Ca 0.09 -0.54 -0.12 0.00 -0.51 0.00 0.00 58.31 57.23 1uwt n LYS 76 Cb 0.51 -0.72 -0.09 0.00 -0.51 0.00 0.00 35.03 34.23 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 -0.19 0.07 -0.07 -0.18 2.07 -1.21 -1.10 121.20 120.58 1uwt s ILE 77 Ca 0.00 -0.60 -0.10 0.00 -1.41 0.00 0.00 60.65 58.53 1uwt s ILE 77 Cb 0.00 -0.68 0.02 0.00 0.13 0.00 0.00 42.46 41.93 1uwt s ILE 77 CO 0.00 -0.33 0.26 0.00 -1.91 0.00 0.00 174.94 172.96 1uwt s ALA 78 N -1.73 -0.66 -0.11 1.50 0.00 -0.29 -2.82 121.76 117.66 1uwt s ALA 78 Ca -0.11 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1uwt s ALA 78 Cb -0.04 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1uwt s ALA 78 CO 0.01 -0.16 -0.15 0.50 0.00 0.00 0.00 175.76 175.96 1uwt s ARG 79 N -0.30 2.26 0.09 0.00 3.00 -0.61 -1.00 118.95 122.39 1uwt s ARG 79 Ca -0.04 -0.57 -0.02 0.00 -1.00 0.00 0.00 55.73 54.10 1uwt s ARG 79 Cb -0.03 -1.92 -0.04 0.00 0.00 0.00 0.00 34.95 32.96 1uwt s ARG 79 CO 0.01 -0.07 0.03 -0.51 0.00 0.00 0.00 175.30 174.76 1uwt s LEU 80 N 1.00 2.06 0.26 -0.88 1.02 -1.07 -1.95 118.68 119.12 1uwt s LEU 80 Ca -0.06 -1.08 0.11 0.00 0.02 0.00 0.00 54.13 53.13 1uwt s LEU 80 Cb -0.15 0.31 -0.05 0.00 0.02 0.00 0.00 46.19 46.33 1uwt s LEU 80 CO -0.02 -0.68 -0.20 0.54 0.02 0.00 0.00 176.35 176.02 1uwt s ASN 81 N -2.98 3.45 0.09 2.29 4.22 -1.26 -0.99 114.94 119.76 1uwt s ASN 81 Ca 0.15 -1.01 -0.19 0.00 -2.14 0.00 0.00 52.86 49.67 1uwt s ASN 81 Cb 0.07 -0.28 -0.07 0.00 1.28 0.00 0.00 41.25 42.26 1uwt s ASN 81 CO -0.04 0.03 0.59 0.68 -2.04 0.00 0.00 177.10 176.31 1uwt s VAL 82 N -2.46 4.72 -0.43 3.54 -7.23 -1.18 -4.46 120.40 112.90 1uwt s VAL 82 Ca 0.28 1.22 -0.25 0.00 -1.81 0.00 0.00 61.98 61.43 1uwt s VAL 82 Cb -0.05 -3.90 0.02 0.00 0.56 0.00 0.00 36.38 33.01 1uwt s VAL 82 CO 0.13 0.52 0.87 -1.61 -0.31 0.00 0.00 175.10 174.70 1uwt s GLU 83 N -1.21 3.57 0.23 4.82 0.41 -1.26 -4.56 118.70 120.69 1uwt s GLU 83 Ca 0.31 0.16 -0.10 0.00 -0.41 0.00 0.00 54.97 54.93 1uwt s GLU 83 Cb -0.19 -3.90 0.34 0.00 -1.78 0.00 0.00 34.13 28.60 1uwt s GLU 83 CO 0.20 -1.11 1.36 1.87 -0.49 0.00 0.00 175.26 177.08 1uwt n TRP 84 N 6.90 0.22 0.07 1.61 -0.00 -1.26 -0.73 117.44 124.25 1uwt n TRP 84 Ca 0.05 1.07 0.14 0.00 -0.00 0.00 0.00 57.50 58.75 1uwt n TRP 84 Cb 0.48 -0.95 0.62 0.00 -0.00 0.00 0.00 31.31 31.46 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 0.10 0.77 5.87 4.64 -1.87 -0.09 113.55 122.97 1uwt h SER 85 Ca 0.38 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.52 1uwt h SER 85 Cb 0.60 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1uwt h SER 85 CO -0.89 0.06 -0.88 0.03 -0.87 0.00 0.00 176.83 174.29 1uwt h ARG 86 N 0.12 0.06 0.07 4.77 3.08 -1.31 -2.78 114.38 118.39 1uwt h ARG 86 Ca 0.17 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1uwt h ARG 86 Cb 0.52 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1uwt h ARG 86 CO -0.02 0.89 -0.64 0.82 -1.07 0.00 0.00 179.97 179.95 1uwt h ILE 87 N 0.03 1.49 -2.56 2.04 1.08 -1.30 -3.41 117.51 114.88 1uwt h ILE 87 Ca -0.02 -2.41 -0.63 0.00 -0.39 0.00 0.00 64.86 61.41 1uwt h ILE 87 Cb 1.53 3.11 -0.40 0.00 -3.07 0.00 0.00 36.82 37.98 1uwt h ILE 87 CO 0.12 0.63 -0.43 0.49 -0.69 0.00 0.00 178.15 178.27 1uwt n PHE 88 N -4.31 3.50 0.33 1.37 3.72 -0.12 -0.37 117.46 121.59 1uwt n PHE 88 Ca -0.16 -4.07 0.15 0.00 -0.05 0.00 0.00 57.45 53.32 1uwt n PHE 88 Cb 0.69 -0.68 0.62 0.00 -0.94 0.00 0.00 39.48 39.17 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 4.72 0.00 -6.30 -1.08 0.13 -1.72 -3.43 132.00 124.32 1uwt h PRO 89 Ca 0.18 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.71 1uwt h PRO 89 Cb 0.69 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.69 1uwt h PRO 89 CO 0.85 0.00 -0.73 -0.80 -0.23 0.00 0.00 178.00 177.09 1uwt s ASN 90 N -5.00 3.98 0.62 1.44 0.01 -1.26 -4.82 114.94 109.91 1uwt s ASN 90 Ca 0.02 -0.81 -0.17 0.00 -0.71 0.00 0.00 52.86 51.19 1uwt s ASN 90 Cb 0.09 -0.54 -0.02 0.00 0.41 0.00 0.00 41.25 41.20 1uwt s ASN 90 CO 0.47 0.05 1.16 -2.84 -1.51 0.00 0.00 177.10 174.43 1uwt s PRO 91 N -3.32 2.86 0.32 -0.60 0.02 -1.26 -5.04 135.00 127.97 1uwt s PRO 91 Ca 0.28 1.64 0.01 0.00 0.02 0.00 0.00 61.00 62.96 1uwt s PRO 91 Cb -0.06 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1uwt s PRO 91 CO 0.16 -1.25 0.50 -0.51 -0.33 0.00 0.00 177.00 175.57 1uwt s LEU 92 N -4.42 4.08 0.31 -5.54 1.43 -1.26 -5.06 118.68 108.21 1uwt s LEU 92 Ca 0.73 0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 1uwt s LEU 92 Cb -0.26 -3.23 -0.13 0.00 0.03 0.00 0.00 46.19 42.61 1uwt s LEU 92 CO 0.36 -0.23 1.36 -2.65 0.23 0.00 0.00 176.35 175.42 1uwt n PRO 93 N -1.61 2.17 -1.70 1.29 -0.02 -1.26 -4.90 135.00 128.97 1uwt n PRO 93 Ca -0.05 0.76 -0.44 0.00 -2.02 0.00 0.00 63.50 61.75 1uwt n PRO 93 Cb 0.56 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1uwt n PRO 93 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1uwt n ARG 94 N 1.17 2.27 0.00 -0.52 0.00 -1.26 -5.19 116.66 113.12 1uwt n ARG 94 Ca 0.07 0.81 0.00 0.00 -0.00 0.00 0.00 57.85 58.73 1uwt n ARG 94 Cb 0.35 -2.51 0.00 0.00 -0.00 0.00 0.00 32.46 30.30 1uwt n ARG 94 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1uwt n PRO 95 N 2.15 0.00 0.00 2.89 -0.02 -1.26 -5.27 135.00 133.49 1uwt n PRO 95 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1uwt n PRO 95 Cb 0.33 -0.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.78 1uwt n PRO 95 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1uwt n PHE 98 N 0.00 0.00 -3.64 6.00 7.35 -1.26 -5.16 117.46 120.75 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 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 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 5.54 0.22 -2.13 -1.08 -1.26 -4.97 116.67 112.99 1uwt s ASP 99 Ca 0.00 -1.73 0.16 0.00 -0.52 0.00 0.00 52.55 50.47 1uwt s ASP 99 Cb 0.00 -1.95 0.85 0.00 -1.46 0.00 0.00 42.92 40.36 1uwt s ASP 99 CO 0.00 -0.57 1.50 -0.62 0.52 0.00 0.00 175.17 176.00 1uwt n GLU 100 N 4.83 0.11 0.07 4.34 4.71 -1.26 -2.01 120.64 131.43 1uwt n GLU 100 Ca -0.08 0.56 0.12 0.00 -0.01 0.00 0.00 57.16 57.75 1uwt n GLU 100 Cb 0.42 -1.82 0.11 0.00 -1.01 0.00 0.00 31.44 29.14 1uwt n GLU 100 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1uwt h SER 101 N 0.00 0.00 -2.94 1.62 4.64 -2.01 -3.44 113.55 111.42 1uwt h SER 101 Ca 0.00 -0.18 -0.53 0.00 -0.47 0.00 0.00 61.79 60.61 1uwt h SER 101 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1uwt h SER 101 CO 0.00 0.09 0.78 -0.54 -0.87 0.00 0.00 176.83 176.29 1uwt s LYS 102 N -3.22 4.29 0.14 4.77 3.01 -0.85 -4.95 119.74 122.93 1uwt s LYS 102 Ca 0.04 2.10 -0.16 0.00 -1.01 0.00 0.00 55.97 56.94 1uwt s LYS 102 Cb 0.12 -3.33 0.00 0.00 -1.01 0.00 0.00 37.83 33.62 1uwt s LYS 102 CO 0.75 -0.50 1.72 1.96 0.51 0.00 0.00 175.35 179.78 1uwt h GLN 103 N 7.13 0.59 -5.83 1.68 4.20 -1.89 -3.45 115.11 117.54 1uwt h GLN 103 Ca -0.41 -0.09 -0.64 0.00 0.06 0.00 0.00 58.65 57.57 1uwt h GLN 103 Cb 1.20 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 1uwt h GLN 103 CO 0.88 0.51 -0.36 -0.51 -0.67 0.00 0.00 178.83 178.68 1uwt s ASP 104 N -5.78 6.56 -0.45 1.46 1.01 -1.26 -4.99 116.67 113.21 1uwt s ASP 104 Ca -0.13 0.66 -0.00 0.00 0.71 0.00 0.00 52.55 53.78 1uwt s ASP 104 Cb 0.10 -2.14 0.12 0.00 1.01 0.00 0.00 42.92 42.02 1uwt s ASP 104 CO 0.75 0.34 0.22 -0.69 0.21 0.00 0.00 175.17 176.00 1uwt s VAL 105 N -1.12 3.04 -0.17 -1.27 1.01 -1.26 -4.95 120.40 115.67 1uwt s VAL 105 Ca 0.21 -2.47 0.20 0.00 0.00 0.00 0.00 61.98 59.92 1uwt s VAL 105 Cb -0.14 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 1uwt s VAL 105 CO 0.10 -0.72 0.88 0.35 0.00 0.00 0.00 175.10 175.71 1uwt n THR 106 N 4.09 0.77 -3.73 3.92 -2.24 -1.26 -4.89 114.28 110.94 1uwt n THR 106 Ca 0.02 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 1uwt n THR 106 Cb 0.40 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.21 0.63 -0.20 -0.78 2.12 -1.26 -4.88 118.70 111.12 1uwt s GLU 107 Ca -0.02 0.12 -0.03 0.00 0.36 0.00 0.00 54.97 55.40 1uwt s GLU 107 Cb 0.10 0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.84 1uwt s GLU 107 CO 0.81 -0.15 0.05 0.08 -0.54 0.00 0.00 175.26 175.52 1uwt s VAL 108 N -0.75 0.42 -0.04 3.70 1.01 -1.26 -5.12 120.40 118.37 1uwt s VAL 108 Ca -0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 1uwt s VAL 108 Cb -0.04 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1uwt s VAL 108 CO 0.03 -0.28 1.07 -0.70 0.00 0.00 0.00 175.10 175.22 1uwt s GLU 109 N 1.90 4.45 -0.03 2.72 2.12 -1.26 -4.91 118.70 123.68 1uwt s GLU 109 Ca 0.01 1.52 0.01 0.00 0.36 0.00 0.00 54.97 56.87 1uwt s GLU 109 Cb -0.17 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.75 1uwt s GLU 109 CO -0.11 -0.25 -0.03 0.42 -0.54 0.00 0.00 175.26 174.75 1uwt s ILE 110 N 1.60 0.39 0.33 -3.70 1.01 -1.26 -5.07 121.20 114.49 1uwt s ILE 110 Ca 0.53 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1uwt s ILE 110 Cb -0.22 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.79 1uwt s ILE 110 CO 0.24 0.18 0.13 0.54 0.00 0.00 0.00 174.94 176.03 1uwt s ASN 111 N 0.76 1.96 0.27 3.58 2.20 -1.26 -5.03 114.94 117.42 1uwt s ASN 111 Ca -0.09 -1.55 0.00 0.00 -0.94 0.00 0.00 52.86 50.28 1uwt s ASN 111 Cb -0.12 0.33 0.59 0.00 -2.00 0.00 0.00 41.25 40.05 1uwt s ASN 111 CO -0.00 -0.85 1.74 -0.08 -2.94 0.00 0.00 177.10 174.96 1uwt h GLU 112 N 2.10 0.51 -0.25 3.55 4.57 -1.99 -0.87 114.58 122.20 1uwt h GLU 112 Ca -0.35 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.75 1uwt h GLU 112 Cb 1.25 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1uwt h GLU 112 CO 0.56 0.34 -0.02 -0.91 -1.18 0.00 0.00 179.01 177.80 1uwt h ASN 113 N 0.52 0.45 -0.68 1.04 2.35 -1.99 -1.16 115.58 116.11 1uwt h ASN 113 Ca 0.49 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1uwt h ASN 113 Cb 0.79 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1uwt h ASN 113 CO -0.42 0.67 0.43 -0.33 -1.65 0.00 0.00 177.43 176.12 1uwt h GLU 114 N 0.22 0.92 -0.50 0.81 5.08 -1.80 -1.78 114.58 117.54 1uwt h GLU 114 Ca 0.07 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1uwt h GLU 114 Cb 0.45 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1uwt h GLU 114 CO 0.02 0.63 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.53 1uwt h LEU 115 N 0.94 0.86 -0.82 1.33 3.38 -0.88 -1.23 115.31 118.90 1uwt h LEU 115 Ca 0.25 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1uwt h LEU 115 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1uwt h LEU 115 CO -0.05 0.96 -0.15 0.11 0.09 0.00 0.00 178.44 179.39 1uwt h LYS 116 N 0.80 0.72 -0.14 1.13 1.57 -0.80 -1.27 116.57 118.58 1uwt h LYS 116 Ca 0.14 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1uwt h LYS 116 Cb 0.56 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1uwt h LYS 116 CO 0.03 0.84 0.03 0.00 -0.57 0.00 0.00 179.45 179.78 1uwt h ARG 117 N 0.65 0.23 -0.74 3.15 2.47 -1.05 -2.91 114.38 116.18 1uwt h ARG 117 Ca 0.10 -0.06 0.12 0.00 -1.26 0.00 0.00 59.98 58.89 1uwt h ARG 117 Cb 0.62 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.83 1uwt h ARG 117 CO 0.04 0.39 0.33 -0.07 0.56 0.00 0.00 179.97 181.23 1uwt h LEU 118 N 0.03 0.38 -2.14 3.04 3.38 -1.16 -0.93 115.31 117.91 1uwt h LEU 118 Ca 0.04 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1uwt h LEU 118 Cb 0.27 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1uwt h LEU 118 CO 0.00 0.18 0.26 -0.78 0.09 0.00 0.00 178.44 178.20 1uwt h ASP 119 N 0.53 0.00 0.57 -0.43 3.58 -1.02 -0.04 116.42 119.60 1uwt h ASP 119 Ca 0.39 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 1uwt h ASP 119 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1uwt h ASP 119 CO -0.34 0.00 -0.25 -0.33 -2.88 0.00 0.00 179.24 175.44 1uwt h GLU 120 N 0.00 0.00 0.00 0.28 5.08 -1.13 -3.14 114.58 115.67 1uwt h GLU 120 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1uwt h GLU 120 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1uwt h GLU 120 CO -0.00 0.25 -1.10 0.66 -1.00 0.00 0.00 179.01 177.82 1uwt n TYR 121 N -3.68 0.27 -2.51 4.33 4.01 -0.04 -4.98 117.16 114.55 1uwt n TYR 121 Ca -0.01 0.08 -0.38 0.00 -0.16 0.00 0.00 57.90 57.43 1uwt n TYR 121 Cb 0.37 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 38.91 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 -3.22 3.17 -0.20 -0.72 0.00 -1.14 -4.82 121.76 114.83 1uwt s ALA 122 Ca 0.03 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 1uwt s ALA 122 Cb 0.14 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.97 1uwt s ALA 122 CO 0.81 -0.21 1.19 1.21 0.00 0.00 0.00 175.76 178.76 1uwt s ASN 123 N -1.36 6.97 0.11 0.00 3.84 0.50 -4.92 114.94 120.09 1uwt s ASN 123 Ca 0.54 1.54 0.03 0.00 0.21 0.00 0.00 52.86 55.18 1uwt s ASN 123 Cb -0.25 -2.54 -0.20 0.00 -0.55 0.00 0.00 41.25 37.71 1uwt s ASN 123 CO 0.32 -0.76 1.26 0.11 -2.79 0.00 0.00 177.10 175.23 1uwt h LYS 124 N 8.05 0.09 -0.73 0.43 1.79 -1.93 -1.92 116.57 122.35 1uwt h LYS 124 Ca -0.24 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.04 1uwt h LYS 124 Cb 1.09 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.76 1uwt h LYS 124 CO 0.98 1.05 0.31 -0.44 -1.08 0.00 0.00 179.45 180.27 1uwt h ASP 125 N 0.03 0.99 -0.23 0.86 3.32 -1.97 0.01 116.42 119.43 1uwt h ASP 125 Ca -0.05 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1uwt h ASP 125 Cb 1.79 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 1uwt h ASP 125 CO 0.15 0.88 0.03 0.00 -1.72 0.00 0.00 179.24 178.58 1uwt h ALA 126 N 1.15 0.31 -0.37 3.45 0.00 -1.83 -0.94 119.26 121.03 1uwt h ALA 126 Ca 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uwt h ALA 126 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1uwt h ALA 126 CO -0.02 -0.00 0.22 -0.07 0.00 0.00 0.00 179.25 179.38 1uwt h LEU 127 N 0.18 0.44 -0.74 0.00 3.38 -1.18 -1.53 115.31 115.87 1uwt h LEU 127 Ca 0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1uwt h LEU 127 Cb 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1uwt h LEU 127 CO 0.01 0.37 -0.13 -1.13 0.09 0.00 0.00 178.44 177.64 1uwt h ASN 128 N 0.48 0.82 -0.17 -0.43 -1.24 -0.94 -1.86 115.58 112.24 1uwt h ASN 128 Ca 0.13 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.88 1uwt h ASN 128 Cb 0.01 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 1uwt h ASN 128 CO -0.02 0.96 0.09 -0.74 -1.29 0.00 0.00 177.43 176.43 1uwt h HIS 129 N 0.73 0.24 -0.94 0.67 2.76 -0.84 -0.62 115.15 117.16 1uwt h HIS 129 Ca 0.12 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1uwt h HIS 129 Cb 0.64 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.46 1uwt h HIS 129 CO 0.03 0.24 0.62 1.88 -1.30 0.00 0.00 177.93 179.40 1uwt h TYR 130 N 0.18 1.15 -0.71 5.26 0.05 -1.20 0.56 116.97 122.26 1uwt h TYR 130 Ca 0.06 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1uwt h TYR 130 Cb 0.08 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.40 1uwt h TYR 130 CO -0.04 0.66 0.40 -0.09 -1.05 0.00 0.00 178.16 178.04 1uwt h ARG 131 N 1.19 0.98 -0.44 4.88 2.43 -1.09 0.46 114.38 122.79 1uwt h ARG 131 Ca 0.38 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1uwt h ARG 131 Cb 0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1uwt h ARG 131 CO -0.12 0.72 -0.06 0.93 -1.51 0.00 0.00 179.97 179.93 1uwt h GLU 132 N 0.97 0.76 0.30 0.20 5.08 0.25 -0.79 114.58 121.35 1uwt h GLU 132 Ca 0.25 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1uwt h GLU 132 Cb 0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1uwt h GLU 132 CO -0.04 0.81 -0.14 0.82 -1.00 0.00 0.00 179.01 179.46 1uwt h ILE 133 N 0.70 0.73 -0.27 3.13 2.04 -0.69 -2.80 117.51 120.36 1uwt h ILE 133 Ca 0.13 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1uwt h ILE 133 Cb 0.52 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1uwt h ILE 133 CO 0.03 0.08 -0.08 -0.26 0.00 0.00 0.00 178.15 177.92 1uwt h PHE 134 N -0.62 0.46 -0.55 1.37 0.04 -0.79 -1.53 116.94 115.32 1uwt h PHE 134 Ca -0.04 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.60 1uwt h PHE 134 Cb 0.44 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 1uwt h PHE 134 CO -0.00 0.51 0.07 0.87 -0.60 0.00 0.00 178.31 179.16 1uwt h LYS 135 N 0.42 0.92 -0.62 1.51 1.57 -1.18 -0.66 116.57 118.52 1uwt h LYS 135 Ca 0.08 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1uwt h LYS 135 Cb 0.40 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1uwt h LYS 135 CO 0.02 0.90 0.11 0.22 -0.57 0.00 0.00 179.45 180.13 1uwt h ASP 136 N 0.81 0.95 0.52 0.86 3.58 -1.18 -0.96 116.42 121.00 1uwt h ASP 136 Ca 0.16 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1uwt h ASP 136 Cb 0.44 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.24 1uwt h ASP 136 CO 0.01 0.94 -0.25 0.25 -2.88 0.00 0.00 179.24 177.31 1uwt h LEU 137 N 0.95 -0.59 -1.83 2.28 5.85 -0.83 -2.06 115.31 119.07 1uwt h LEU 137 Ca 0.19 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1uwt h LEU 137 Cb 0.39 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1uwt h LEU 137 CO 0.01 -0.34 0.28 0.11 -0.34 0.00 0.00 178.44 178.15 1uwt h LYS 138 N -0.82 0.20 0.00 1.25 1.79 -1.07 -1.09 116.57 116.83 1uwt h LYS 138 Ca -0.07 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1uwt h LYS 138 Cb 0.59 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1uwt h LYS 138 CO 0.12 0.13 0.00 0.66 -1.08 0.00 0.00 179.45 179.28 1uwt h SER 139 N 0.20 0.00 -0.34 0.86 4.64 -0.46 -2.34 113.55 116.11 1uwt h SER 139 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1uwt h SER 139 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1uwt h SER 139 CO -0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 1uwt n ARG 140 N -2.87 2.63 -1.73 4.77 5.12 -0.42 -4.91 116.66 119.25 1uwt n ARG 140 Ca 0.01 -1.57 -0.13 0.00 -1.93 0.00 0.00 57.85 54.22 1uwt n ARG 140 Cb 0.27 -1.68 -0.04 0.00 -1.16 0.00 0.00 32.46 29.86 1uwt n ARG 140 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uwt n GLY 141 N 0.63 0.76 3.67 -0.13 0.00 -0.88 -4.88 105.19 104.36 1uwt n GLY 141 Ca 0.14 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.34 4.16 0.40 0.99 1.43 -1.22 -4.75 118.68 116.36 1uwt s LEU 142 Ca 0.00 0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 53.76 1uwt s LEU 142 Cb 0.00 -2.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.16 1uwt s LEU 142 CO 0.00 -0.29 1.34 -0.47 0.23 0.00 0.00 176.35 177.16 1uwt s TYR 143 N 1.88 2.78 -0.22 0.29 5.04 -0.26 -4.35 117.35 122.51 1uwt s TYR 143 Ca 0.31 1.37 0.01 0.00 -2.44 0.00 0.00 57.07 56.32 1uwt s TYR 143 Cb -0.16 -3.74 0.04 0.00 0.35 0.00 0.00 41.96 38.45 1uwt s TYR 143 CO 0.11 -2.26 -0.15 0.12 -1.34 0.00 0.00 175.55 172.04 1uwt s PHE 144 N -1.22 3.01 -0.33 4.97 5.36 -1.26 -1.14 117.98 127.37 1uwt s PHE 144 Ca 0.56 -1.91 -0.15 0.00 -0.96 0.00 0.00 56.93 54.47 1uwt s PHE 144 Cb -0.40 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.32 1uwt s PHE 144 CO 0.52 -0.83 0.34 0.42 -1.46 0.00 0.00 175.22 174.21 1uwt s ILE 145 N 1.22 5.19 -0.26 3.12 1.01 -0.17 -1.18 121.20 130.12 1uwt s ILE 145 Ca -0.01 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.55 1uwt s ILE 145 Cb -0.16 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1uwt s ILE 145 CO -0.09 -0.05 0.35 -0.22 0.00 0.00 0.00 174.94 174.93 1uwt s LEU 146 N 1.98 4.05 -0.10 2.97 2.96 0.03 -2.59 118.68 127.96 1uwt s LEU 146 Ca 0.11 0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1uwt s LEU 146 Cb -0.17 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1uwt s LEU 146 CO 0.11 -0.16 0.16 0.21 -1.32 0.00 0.00 176.35 175.36 1uwt s ASN 147 N 1.59 6.41 0.09 3.68 2.47 -0.16 -0.68 114.94 128.34 1uwt s ASN 147 Ca 0.14 0.49 0.10 0.00 0.42 0.00 0.00 52.86 54.01 1uwt s ASN 147 Cb -0.16 -2.07 -0.18 0.00 -1.45 0.00 0.00 41.25 37.39 1uwt s ASN 147 CO 0.10 0.39 1.09 0.24 -3.72 0.00 0.00 177.10 175.20 1uwt h MET 148 N 4.84 0.00 -2.81 0.43 2.86 -0.89 -3.11 114.93 116.24 1uwt h MET 148 Ca -0.54 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 56.94 1uwt h MET 148 Cb 1.23 0.00 -0.28 0.00 0.06 0.00 0.00 31.60 32.60 1uwt h MET 148 CO 0.59 0.75 -0.40 -0.47 1.06 0.00 0.00 176.91 178.44 1uwt s TYR 149 N -2.72 -0.49 -0.31 -0.22 5.04 -1.05 -4.55 117.35 113.05 1uwt s TYR 149 Ca -0.01 1.07 0.19 0.00 -2.44 0.00 0.00 57.07 55.88 1uwt s TYR 149 Cb 0.09 0.15 0.47 0.00 0.35 0.00 0.00 41.96 43.02 1uwt s TYR 149 CO 0.81 -0.31 1.02 1.58 -1.34 0.00 0.00 175.55 177.31 1uwt n HIS 150 N 4.42 0.92 0.00 4.97 -0.00 -1.26 -0.94 115.22 123.33 1uwt n HIS 150 Ca -0.22 -2.57 0.00 0.00 -0.00 0.00 0.00 57.72 54.93 1uwt n HIS 150 Cb 0.53 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 1uwt n HIS 150 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1uwt n TRP 151 N -0.24 0.00 -1.84 1.57 8.01 -1.26 -4.89 117.44 118.78 1uwt n TRP 151 Ca 0.07 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.84 1uwt n TRP 151 Cb 0.82 0.00 -0.03 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 4.18 0.04 -0.99 0.02 -1.26 -4.95 135.00 132.04 1uwt s PRO 152 Ca 0.00 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.51 1uwt s PRO 152 Cb 0.00 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1uwt s PRO 152 CO 0.00 -0.67 0.07 -0.51 -0.33 0.00 0.00 177.00 175.56 1uwt s LEU 153 N 1.21 3.81 0.33 -5.54 1.43 -1.26 -4.78 118.68 113.87 1uwt s LEU 153 Ca 0.72 0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.59 1uwt s LEU 153 Cb -0.46 -2.38 -0.13 0.00 0.03 0.00 0.00 46.19 43.25 1uwt s LEU 153 CO 0.32 0.22 1.19 -2.65 0.23 0.00 0.00 176.35 175.65 1uwt n PRO 154 N 0.78 1.86 0.07 1.29 -0.02 -1.26 -1.30 135.00 136.42 1uwt n PRO 154 Ca -0.11 0.65 0.18 0.00 -2.02 0.00 0.00 63.50 62.20 1uwt n PRO 154 Cb 0.52 -2.16 0.69 0.00 -0.02 0.00 0.00 33.50 32.53 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 2.34 0.00 -0.36 2.45 3.38 -1.16 0.16 115.31 122.12 1uwt h LEU 155 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1uwt h LEU 155 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 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 -4.34 0.42 0.21 1.13 4.27 -1.26 -1.90 117.44 115.96 1uwt n TRP 156 Ca 0.06 0.17 0.10 0.00 -3.89 0.00 0.00 57.50 53.94 1uwt n TRP 156 Cb 0.48 -0.77 -0.14 0.00 -1.36 0.00 0.00 31.31 29.52 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 -1.88 0.21 -3.38 5.67 4.77 0.02 -4.82 117.00 117.59 1uwt n LEU 157 Ca 0.03 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1uwt n LEU 157 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1uwt n LEU 157 CO 0.17 0.05 0.17 -2.28 -1.33 0.00 0.00 177.39 174.17 1uwt s HIS 158 N -3.22 -1.40 -0.53 -1.77 5.04 -0.80 -0.80 115.29 111.81 1uwt s HIS 158 Ca -0.04 1.86 -0.14 0.00 -1.54 0.00 0.00 55.06 55.21 1uwt s HIS 158 Cb 0.13 0.60 0.13 0.00 0.04 0.00 0.00 32.58 33.47 1uwt s HIS 158 CO 0.80 -0.76 0.46 0.34 -2.34 0.00 0.00 174.74 173.24 1uwt s ASP 159 N 2.83 6.04 0.40 9.88 -1.08 -0.66 -4.34 116.67 129.74 1uwt s ASP 159 Ca 0.09 -1.87 0.21 0.00 -0.52 0.00 0.00 52.55 50.46 1uwt s ASP 159 Cb -0.14 -2.14 0.72 0.00 -1.46 0.00 0.00 42.92 39.90 1uwt s ASP 159 CO -0.19 -0.79 1.75 1.55 0.52 0.00 0.00 175.17 178.00 1uwt h PRO 160 N 8.70 0.00 -0.27 4.34 0.13 -1.87 -2.81 132.00 140.22 1uwt h PRO 160 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1uwt h PRO 160 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1uwt h PRO 160 CO 0.97 0.31 -0.40 0.82 -0.23 0.00 0.00 178.00 179.47 1uwt h ILE 161 N 0.00 1.30 -0.47 -3.56 1.08 -1.92 0.16 117.51 114.10 1uwt h ILE 161 Ca -0.00 -1.59 0.02 0.00 -0.39 0.00 0.00 64.86 62.89 1uwt h ILE 161 Cb 0.88 1.67 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 1uwt h ILE 161 CO 0.04 0.51 0.28 -0.09 -0.69 0.00 0.00 178.15 178.20 1uwt h ARG 162 N 0.48 0.55 -0.41 2.37 2.43 -1.86 -1.35 114.38 116.59 1uwt h ARG 162 Ca 0.03 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1uwt h ARG 162 Cb 0.99 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1uwt h ARG 162 CO 0.09 0.36 -0.01 0.28 -1.51 0.00 0.00 179.97 179.19 1uwt h VAL 163 N 0.56 1.26 -0.95 0.20 2.07 -1.39 -1.86 116.25 116.15 1uwt h VAL 163 Ca 0.18 -1.03 0.20 0.00 0.82 0.00 0.00 66.70 66.87 1uwt h VAL 163 Cb 0.00 1.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.77 1uwt h VAL 163 CO -0.08 0.35 0.53 -0.09 0.02 0.00 0.00 177.57 178.30 1uwt h ARG 164 N 0.56 0.62 0.00 1.57 2.43 -0.79 0.44 114.38 119.21 1uwt h ARG 164 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1uwt h ARG 164 Cb 0.49 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1uwt h ARG 164 CO 0.02 0.41 0.00 0.54 -1.51 0.00 0.00 179.97 179.43 1uwt n ARG 165 N -4.86 0.28 -0.62 0.20 1.74 -0.53 -4.86 116.66 108.02 1uwt n ARG 165 Ca 0.22 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1uwt n ARG 165 Cb 0.59 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.44 0.64 3.42 -0.13 0.00 0.14 -5.03 105.19 104.67 1uwt n GLY 166 Ca 0.10 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.40 5.93 -0.26 1.61 -1.08 -0.73 -4.97 116.67 114.75 1uwt s ASP 167 Ca 0.00 -0.96 0.13 0.00 -0.52 0.00 0.00 52.55 51.20 1uwt s ASP 167 Cb 0.00 -2.09 0.76 0.00 -1.46 0.00 0.00 42.92 40.13 1uwt s ASP 167 CO 0.00 -0.42 1.73 0.49 0.52 0.00 0.00 175.17 177.49 1uwt n PHE 168 N 5.08 2.08 0.54 -5.34 3.72 -1.26 -3.71 117.46 118.57 1uwt n PHE 168 Ca -0.11 -0.94 0.12 0.00 -0.05 0.00 0.00 57.45 56.47 1uwt n PHE 168 Cb 0.46 -0.56 0.16 0.00 -0.94 0.00 0.00 39.48 38.60 1uwt n PHE 168 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1uwt h THR 169 N 3.22 0.00 -3.41 4.37 1.35 -1.95 -3.47 112.91 113.02 1uwt h THR 169 Ca 0.10 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1uwt h THR 169 Cb 2.05 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1uwt h THR 169 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1uwt n GLY 170 N 1.33 1.70 3.68 5.82 0.00 -1.26 -5.03 105.19 111.42 1uwt n GLY 170 Ca 0.03 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 0.03 4.23 -0.13 1.61 0.02 -1.26 -4.91 135.00 134.59 1uwt s PRO 171 Ca 0.00 2.09 0.16 0.00 0.02 0.00 0.00 61.00 63.27 1uwt s PRO 171 Cb 0.00 -3.69 0.36 0.00 0.02 0.00 0.00 34.50 31.19 1uwt s PRO 171 CO 0.00 -0.69 1.25 -1.13 -0.33 0.00 0.00 177.00 176.10 1uwt n SER 172 N 5.94 2.98 0.00 2.53 3.41 -1.16 -1.65 113.62 125.68 1uwt n SER 172 Ca 0.15 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 1uwt n SER 172 Cb 0.43 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.85 2.91 0.00 5.00 0.00 0.02 -1.71 105.19 110.55 1uwt n GLY 173 Ca 0.16 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 13.63 0.00 0.89 1.61 7.02 -1.26 -1.79 117.44 137.54 1uwt n TRP 174 Ca 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 1uwt n TRP 174 Cb 0.00 -0.21 0.55 0.00 -2.42 0.00 0.00 31.31 29.23 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 -1.21 0.00 -4.35 -0.99 4.77 -0.70 -4.29 117.00 110.23 1uwt n LEU 175 Ca 0.08 0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 56.23 1uwt n LEU 175 Cb 0.09 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 1uwt n LEU 175 CO 0.10 -0.06 -0.49 -0.55 -1.33 0.00 0.00 177.39 175.06 1uwt s SER 176 N -2.99 3.68 0.32 -1.43 0.15 -0.74 -4.97 113.70 107.72 1uwt s SER 176 Ca 0.13 -0.37 0.23 0.00 0.70 0.00 0.00 55.95 56.64 1uwt s SER 176 Cb 0.17 -1.25 1.16 0.00 -1.71 0.00 0.00 66.02 64.39 1uwt s SER 176 CO 0.47 0.22 1.71 0.71 1.20 0.00 0.00 173.24 177.55 1uwt h THR 177 N 5.14 0.00 -0.80 6.45 1.35 -1.86 -1.93 112.91 121.25 1uwt h THR 177 Ca -0.31 -0.09 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 1uwt h THR 177 Cb 1.20 0.68 -0.04 0.00 -1.73 0.00 0.00 68.15 68.26 1uwt h THR 177 CO 0.51 0.00 0.35 -0.09 -0.25 0.00 0.00 175.52 176.05 1uwt h ARG 178 N 0.00 1.18 -0.49 4.72 9.65 -1.91 -0.93 114.38 126.60 1uwt h ARG 178 Ca 0.00 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.64 1uwt h ARG 178 Cb 0.13 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1uwt h ARG 178 CO 0.00 0.94 0.14 1.15 2.80 0.00 0.00 179.97 184.99 1uwt h THR 179 N 1.16 1.21 -0.50 0.20 2.02 -1.58 0.18 112.91 115.59 1uwt h THR 179 Ca 0.27 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 1uwt h THR 179 Cb 0.17 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1uwt h THR 179 CO -0.03 0.27 0.13 0.58 0.37 0.00 0.00 175.52 176.84 1uwt h VAL 180 N 0.72 1.24 -0.23 3.16 2.07 -1.37 -0.70 116.25 121.14 1uwt h VAL 180 Ca 0.16 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1uwt h VAL 180 Cb 0.24 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1uwt h VAL 180 CO -0.01 0.30 0.02 0.22 0.02 0.00 0.00 177.57 178.13 1uwt h TYR 181 N 0.69 0.42 -0.36 1.57 5.03 -0.69 -2.30 116.97 121.32 1uwt h TYR 181 Ca 0.16 -0.06 -0.11 0.00 2.58 0.00 0.00 58.73 61.29 1uwt h TYR 181 Cb 0.32 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1uwt h TYR 181 CO 0.02 0.54 -0.24 0.93 -1.32 0.00 0.00 178.16 178.09 1uwt h GLU 182 N 0.18 0.73 -0.55 1.82 4.39 -0.87 -2.65 114.58 117.62 1uwt h GLU 182 Ca 0.07 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1uwt h GLU 182 Cb 0.36 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1uwt h GLU 182 CO 0.01 0.90 0.29 0.35 -1.16 0.00 0.00 179.01 179.39 1uwt h PHE 183 N 0.63 0.77 -0.30 4.33 3.57 -1.01 0.23 116.94 125.17 1uwt h PHE 183 Ca 0.09 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1uwt h PHE 183 Cb 0.74 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 1uwt h PHE 183 CO 0.04 0.57 -0.15 0.00 -2.23 0.00 0.00 178.31 176.54 1uwt h ALA 184 N 1.12 0.08 -0.66 2.41 0.00 -1.28 -0.23 119.26 120.69 1uwt h ALA 184 Ca 0.19 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1uwt h ALA 184 Cb 0.08 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1uwt h ALA 184 CO -0.03 -0.55 0.30 0.00 0.00 0.00 0.00 179.25 178.97 1uwt h ARG 185 N -0.11 0.96 -0.28 0.00 3.08 -1.14 -2.00 114.38 114.89 1uwt h ARG 185 Ca 0.16 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1uwt h ARG 185 Cb 0.35 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1uwt h ARG 185 CO -0.37 0.78 0.17 0.35 -1.07 0.00 0.00 179.97 179.83 1uwt h PHE 186 N 0.92 0.32 -0.39 3.04 3.57 -0.07 -1.13 116.94 123.19 1uwt h PHE 186 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1uwt h PHE 186 Cb 0.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1uwt h PHE 186 CO 0.01 0.19 0.11 0.77 -2.23 0.00 0.00 178.31 177.16 1uwt h SER 187 N 0.35 0.58 -0.66 0.41 0.02 -0.87 -0.65 113.55 112.74 1uwt h SER 187 Ca 0.11 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1uwt h SER 187 Cb -0.02 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1uwt h SER 187 CO -0.04 0.65 0.43 0.00 -1.14 0.00 0.00 176.83 176.73 1uwt h ALA 188 N 0.96 0.84 -0.42 3.77 0.00 -1.31 -1.82 119.26 121.28 1uwt h ALA 188 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uwt h ALA 188 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1uwt h ALA 188 CO -0.00 0.25 0.26 -0.92 0.00 0.00 0.00 179.25 178.84 1uwt h TYR 189 N 0.88 0.54 -0.35 0.00 3.20 -0.79 0.54 116.97 121.00 1uwt h TYR 189 Ca 0.24 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1uwt h TYR 189 Cb -0.09 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1uwt h TYR 189 CO -0.03 0.37 0.06 0.82 -1.64 0.00 0.00 178.16 177.74 1uwt h ILE 190 N 0.56 1.23 -0.89 1.81 1.08 -0.92 -0.85 117.51 119.52 1uwt h ILE 190 Ca 0.15 -0.82 0.05 0.00 -0.39 0.00 0.00 64.86 63.86 1uwt h ILE 190 Cb -0.02 1.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 1uwt h ILE 190 CO -0.03 0.27 0.56 0.00 -0.69 0.00 0.00 178.15 178.27 1uwt h ALA 191 N 0.91 1.21 -0.86 1.87 0.00 -1.11 0.11 119.26 121.38 1uwt h ALA 191 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1uwt h ALA 191 Cb 0.34 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1uwt h ALA 191 CO 0.01 0.35 0.46 2.35 0.00 0.00 0.00 179.25 182.41 1uwt h TRP 192 N 1.05 1.20 0.05 0.00 7.01 -0.42 -1.16 115.95 123.69 1uwt h TRP 192 Ca 0.38 -0.04 -0.24 0.00 2.11 0.00 0.00 58.89 61.10 1uwt h TRP 192 Cb 0.12 -0.38 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 1uwt h TRP 192 CO -0.02 0.85 -1.14 0.87 -2.79 0.00 0.00 178.44 176.20 1uwt h LYS 193 N 1.21 0.11 -0.03 2.65 1.79 -0.32 -3.39 116.57 118.60 1uwt h LYS 193 Ca 0.30 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1uwt h LYS 193 Cb 0.06 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1uwt h LYS 193 CO -0.05 1.07 0.00 1.19 -1.08 0.00 0.00 179.45 180.59 1uwt n PHE 194 N -3.41 0.02 -0.02 -1.35 3.72 0.31 -4.73 117.46 111.99 1uwt n PHE 194 Ca -0.05 -0.04 0.24 0.00 -0.05 0.00 0.00 57.45 57.55 1uwt n PHE 194 Cb 0.98 -0.00 0.72 0.00 -0.94 0.00 0.00 39.48 40.24 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 1.32 0.00 0.91 4.37 3.58 -1.41 0.60 116.42 125.78 1uwt h ASP 195 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1uwt h ASP 195 Cb 0.31 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 1uwt h ASP 195 CO 0.00 0.00 -0.00 -2.24 -2.88 0.00 0.00 179.24 174.12 1uwt h ASP 196 N 0.00 0.00 0.00 2.28 2.03 -1.86 -3.13 116.42 115.75 1uwt h ASP 196 Ca 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1uwt h ASP 196 Cb 1.38 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 1uwt h ASP 196 CO -0.00 0.00 -1.42 0.18 -1.03 0.00 0.00 179.24 176.97 1uwt n LEU 197 N -3.10 0.33 -4.86 0.15 4.77 0.21 -5.00 117.00 109.49 1uwt n LEU 197 Ca 0.00 -0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.42 1uwt n LEU 197 Cb 0.28 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1uwt n LEU 197 CO 0.26 0.08 0.03 -0.69 -1.33 0.00 0.00 177.39 175.75 1uwt s VAL 198 N -3.00 5.16 -0.26 4.08 1.01 -1.09 -4.77 120.40 121.54 1uwt s VAL 198 Ca -0.01 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.35 1uwt s VAL 198 Cb 0.12 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.73 1uwt s VAL 198 CO 0.73 0.46 -0.20 0.47 0.00 0.00 0.00 175.10 176.56 1uwt n ASP 199 N 1.44 1.95 -4.16 3.32 8.00 -0.33 -4.95 116.55 121.82 1uwt n ASP 199 Ca -0.13 0.31 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 1uwt n ASP 199 Cb 0.53 -0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.48 0.85 0.04 -1.24 2.02 -0.84 -4.50 118.70 112.55 1uwt s GLU 200 Ca -0.36 -1.36 0.08 0.00 0.02 0.00 0.00 54.97 53.35 1uwt s GLU 200 Cb 0.12 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 34.25 1uwt s GLU 200 CO 0.53 -0.09 -0.23 0.71 0.02 0.00 0.00 175.26 176.20 1uwt s TYR 201 N -3.75 2.42 -0.00 1.61 2.02 -0.06 -0.79 117.35 118.80 1uwt s TYR 201 Ca 0.15 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1uwt s TYR 201 Cb 0.06 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1uwt s TYR 201 CO -0.03 0.17 -0.20 0.45 -1.57 0.00 0.00 175.55 174.37 1uwt s SER 202 N -1.28 3.60 -0.06 2.29 0.15 0.15 -0.81 113.70 117.73 1uwt s SER 202 Ca 0.13 -0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.14 1uwt s SER 202 Cb -0.10 -0.58 -0.23 0.00 -1.71 0.00 0.00 66.02 63.41 1uwt s SER 202 CO 0.03 0.30 1.06 0.71 1.20 0.00 0.00 173.24 176.54 1uwt h THR 203 N 4.25 1.55 -3.80 6.45 1.35 -1.62 -0.62 112.91 120.46 1uwt h THR 203 Ca -0.46 -1.75 -0.14 0.00 -0.55 0.00 0.00 66.41 63.51 1uwt h THR 203 Cb 1.14 2.68 -0.19 0.00 -1.73 0.00 0.00 68.15 70.05 1uwt h THR 203 CO 0.48 0.47 -0.57 -0.04 -0.25 0.00 0.00 175.52 175.60 1uwt s MET 204 N -3.34 0.49 -0.26 4.72 -1.94 -1.26 -2.52 119.30 115.19 1uwt s MET 204 Ca -0.17 -0.65 -0.09 0.00 -1.71 0.00 0.00 55.69 53.08 1uwt s MET 204 Cb 0.00 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 37.00 1uwt s MET 204 CO 0.71 -0.11 0.11 1.21 -0.01 0.00 0.00 175.02 176.93 1uwt s ASN 205 N -1.80 5.50 -1.10 3.03 2.47 -0.12 -1.19 114.94 121.72 1uwt s ASN 205 Ca -0.10 -0.11 -0.22 0.00 0.42 0.00 0.00 52.86 52.85 1uwt s ASN 205 Cb -0.05 -2.00 0.01 0.00 -1.45 0.00 0.00 41.25 37.76 1uwt s ASN 205 CO -0.02 -0.03 0.73 -0.62 -3.72 0.00 0.00 177.10 173.44 1uwt n GLU 206 N 4.88 -0.93 0.05 0.43 1.02 0.14 -4.76 120.64 121.47 1uwt n GLU 206 Ca -0.15 0.42 0.06 0.00 -0.02 0.00 0.00 57.16 57.47 1uwt n GLU 206 Cb 0.52 -3.45 0.49 0.00 -0.02 0.00 0.00 31.44 28.98 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 -1.83 0.38 -0.15 3.49 0.13 -1.89 -2.24 132.00 129.90 1uwt h PRO 207 Ca -0.64 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.44 1uwt h PRO 207 Cb 1.36 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1uwt h PRO 207 CO 0.47 0.25 0.01 -2.95 -0.23 0.00 0.00 178.00 175.55 1uwt h ASN 208 N 0.39 0.18 -0.17 1.44 -1.07 -1.93 -2.12 115.58 112.30 1uwt h ASN 208 Ca 0.13 -0.02 -0.17 0.00 0.07 0.00 0.00 56.30 56.32 1uwt h ASN 208 Cb 0.06 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.27 1uwt h ASN 208 CO -0.03 0.22 -0.54 0.58 0.07 0.00 0.00 177.43 177.73 1uwt h VAL 209 N 0.21 1.32 -0.19 6.14 2.07 -1.77 0.54 116.25 124.56 1uwt h VAL 209 Ca 0.05 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 65.84 1uwt h VAL 209 Cb 0.13 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1uwt h VAL 209 CO 0.00 0.55 -0.12 0.58 0.02 0.00 0.00 177.57 178.61 1uwt h VAL 210 N 0.36 0.64 0.04 2.57 2.07 -1.25 0.42 116.25 121.10 1uwt h VAL 210 Ca -0.02 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.24 1uwt h VAL 210 Cb 1.16 0.64 0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1uwt h VAL 210 CO 0.11 0.00 -1.07 1.23 0.02 0.00 0.00 177.57 177.86 1uwt h GLY 211 N -0.11 0.62 0.61 2.17 0.00 -1.46 -2.35 103.07 102.54 1uwt h GLY 211 Ca 0.11 -1.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.27 1uwt h GLY 211 CO -0.26 1.02 -0.12 -1.33 0.00 0.00 0.00 176.54 175.85 1uwt h GLY 212 N 0.75 -0.35 1.70 4.60 0.00 -0.72 -2.97 103.07 106.09 1uwt h GLY 212 Ca -0.13 0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 1uwt h GLY 212 CO 0.20 -0.13 -0.68 1.41 0.00 0.00 0.00 176.54 177.34 1uwt h LEU 213 N -0.73 0.35 -1.44 3.11 3.38 -1.07 -0.77 115.31 118.13 1uwt h LEU 213 Ca -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1uwt h LEU 213 Cb 0.49 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1uwt h LEU 213 CO 0.06 0.93 0.34 1.23 0.09 0.00 0.00 178.44 181.08 1uwt h GLY 214 N 1.46 0.76 0.00 0.83 0.00 -1.51 -3.30 103.07 101.30 1uwt h GLY 214 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1uwt h GLY 214 CO 0.11 0.29 0.00 -1.72 0.00 0.00 0.00 176.54 175.22 1uwt n TYR 215 N -4.44 0.00 0.07 5.60 4.01 -1.12 -1.63 117.16 119.65 1uwt n TYR 215 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1uwt n TYR 215 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 -0.12 0.43 -1.69 -0.72 0.31 -0.48 -0.15 118.33 115.91 1uwt n VAL 216 Ca 0.00 0.14 -0.41 0.00 -0.01 0.00 0.00 64.34 64.07 1uwt n VAL 216 Cb 0.11 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.01 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 2.40 4.52 0.17 2.92 0.00 -0.42 -4.72 105.19 110.05 1uwt n GLY 217 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 3.39 0.00 0.00 1.61 -1.51 -1.86 -1.93 116.25 115.94 1uwt h VAL 218 Ca 0.68 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 1uwt h VAL 218 Cb 0.45 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1uwt h VAL 218 CO 1.76 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 178.39 1uwt n LYS 219 N -2.48 0.15 0.06 5.19 5.02 -1.26 -2.37 118.16 122.47 1uwt n LYS 219 Ca 0.02 0.40 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 1uwt n LYS 219 Cb 0.29 -1.79 0.45 0.00 -0.02 0.00 0.00 35.03 33.96 1uwt n LYS 219 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1uwt n SER 220 N -2.06 0.37 -3.09 4.39 3.41 -0.73 -4.92 113.62 111.00 1uwt n SER 220 Ca 0.02 0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 59.02 1uwt n SER 220 Cb 0.20 -0.65 0.07 0.00 -0.26 0.00 0.00 64.21 63.57 1uwt n SER 220 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwt n GLY 221 N 0.58 -0.29 3.88 5.00 0.00 -1.00 -4.71 105.19 108.66 1uwt n GLY 221 Ca 0.04 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.28 3.58 0.51 1.61 0.40 -1.26 -4.62 117.98 114.92 1uwt s PHE 222 Ca 0.32 0.50 -0.20 0.00 -0.60 0.00 0.00 56.93 56.95 1uwt s PHE 222 Cb -0.14 -1.92 -0.07 0.00 0.51 0.00 0.00 43.02 41.40 1uwt s PHE 222 CO 0.62 0.72 1.10 -1.25 0.70 0.00 0.00 175.22 177.11 1uwt s PRO 223 N -1.13 3.58 0.00 0.24 0.04 -1.26 -1.33 135.00 135.13 1uwt s PRO 223 Ca 0.16 1.55 0.19 0.00 0.04 0.00 0.00 61.00 62.94 1uwt s PRO 223 Cb -0.12 -2.10 0.71 0.00 0.04 0.00 0.00 34.50 33.03 1uwt s PRO 223 CO 0.06 -0.65 1.51 -0.35 0.04 0.00 0.00 177.00 177.61 1uwt n PRO 224 N -1.05 1.65 -3.24 0.56 -0.04 -1.25 -4.44 135.00 127.19 1uwt n PRO 224 Ca 0.10 -0.98 -0.20 0.00 -0.04 0.00 0.00 63.50 62.39 1uwt n PRO 224 Cb 0.51 -1.36 0.05 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 1.07 -0.33 3.34 0.55 0.00 -0.45 -3.55 105.19 105.83 1uwt n GLY 225 Ca 0.15 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.20 3.13 -0.50 1.61 5.04 -0.97 -4.85 117.35 117.61 1uwt s TYR 226 Ca 0.41 -0.98 -0.29 0.00 -2.44 0.00 0.00 57.07 53.78 1uwt s TYR 226 Cb -0.18 -2.24 0.03 0.00 0.35 0.00 0.00 41.96 39.92 1uwt s TYR 226 CO 0.51 -0.57 1.15 -1.17 -1.34 0.00 0.00 175.55 174.13 1uwt s LEU 227 N 1.50 3.60 -0.30 6.97 2.96 -1.26 -4.17 118.68 127.97 1uwt s LEU 227 Ca 0.03 0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.25 1uwt s LEU 227 Cb -0.17 -3.45 0.17 0.00 0.50 0.00 0.00 46.19 43.24 1uwt s LEU 227 CO 0.02 -1.31 0.69 -0.55 -1.32 0.00 0.00 176.35 173.88 1uwt s SER 228 N 2.58 -1.17 0.14 3.68 0.15 0.79 -5.01 113.70 114.86 1uwt s SER 228 Ca 0.47 0.98 -0.18 0.00 0.70 0.00 0.00 55.95 57.91 1uwt s SER 228 Cb -0.07 2.08 0.02 0.00 -1.71 0.00 0.00 66.02 66.34 1uwt s SER 228 CO 0.30 -0.22 1.70 -0.26 1.20 0.00 0.00 173.24 175.97 1uwt h PHE 229 N 7.97 -0.06 -0.49 3.44 0.04 -1.93 -1.21 116.94 124.69 1uwt h PHE 229 Ca -0.20 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.63 1uwt h PHE 229 Cb 1.14 0.07 -0.04 0.00 2.20 0.00 0.00 35.95 39.32 1uwt h PHE 229 CO 0.12 -0.07 0.26 1.49 -0.60 0.00 0.00 178.31 179.50 1uwt h GLU 230 N 0.05 0.50 0.00 1.51 4.81 -1.95 -1.76 114.58 117.73 1uwt h GLU 230 Ca 0.13 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1uwt h GLU 230 Cb 0.19 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1uwt h GLU 230 CO -0.25 0.33 -0.63 -0.07 -0.73 0.00 0.00 179.01 177.66 1uwt h LEU 231 N 0.51 0.00 -0.71 1.64 3.38 -1.92 -2.05 115.31 116.16 1uwt h LEU 231 Ca 0.21 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1uwt h LEU 231 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1uwt h LEU 231 CO -0.14 0.63 0.44 -1.28 0.09 0.00 0.00 178.44 178.19 1uwt h SER 232 N 0.00 0.72 -0.54 -0.43 0.87 -0.78 0.17 113.55 113.56 1uwt h SER 232 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1uwt h SER 232 Cb 1.14 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1uwt h SER 232 CO 0.08 0.49 0.17 0.03 -0.53 0.00 0.00 176.83 177.08 1uwt h ARG 233 N 0.86 0.84 -0.36 2.24 3.08 -1.04 -1.30 114.38 118.70 1uwt h ARG 233 Ca 0.29 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1uwt h ARG 233 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1uwt h ARG 233 CO -0.11 0.77 0.14 -0.09 -1.07 0.00 0.00 179.97 179.61 1uwt h ARG 234 N 0.75 0.55 -0.71 0.04 2.43 -1.02 0.28 114.38 116.70 1uwt h ARG 234 Ca 0.18 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1uwt h ARG 234 Cb 0.28 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1uwt h ARG 234 CO -0.01 0.53 0.47 0.00 -1.51 0.00 0.00 179.97 179.45 1uwt h ALA 235 N 0.99 0.91 -0.45 2.80 0.00 -0.50 -1.58 119.26 121.42 1uwt h ALA 235 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1uwt h ALA 235 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1uwt h ALA 235 CO -0.01 0.30 0.09 0.52 0.00 0.00 0.00 179.25 180.16 1uwt h MET 236 N 0.94 0.73 -0.47 0.00 2.86 -0.91 -0.57 114.93 117.52 1uwt h MET 236 Ca 0.27 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1uwt h MET 236 Cb -0.09 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.43 1uwt h MET 236 CO -0.07 0.74 0.14 -0.92 1.06 0.00 0.00 176.91 177.86 1uwt h TYR 237 N 0.60 0.25 -0.51 -0.22 3.20 -0.74 -0.80 116.97 118.75 1uwt h TYR 237 Ca 0.14 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1uwt h TYR 237 Cb 0.35 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1uwt h TYR 237 CO 0.02 0.07 0.07 -0.91 -1.64 0.00 0.00 178.16 175.77 1uwt h ASN 238 N 0.30 0.82 -0.40 -2.11 2.35 -1.05 -2.54 115.58 112.94 1uwt h ASN 238 Ca 0.22 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1uwt h ASN 238 Cb 0.25 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1uwt h ASN 238 CO -0.25 0.88 0.07 -0.29 -1.65 0.00 0.00 177.43 176.18 1uwt h ILE 239 N 0.73 1.22 0.46 2.81 2.10 -0.85 0.91 117.51 124.89 1uwt h ILE 239 Ca 0.15 -0.85 -0.02 0.00 1.08 0.00 0.00 64.86 65.22 1uwt h ILE 239 Cb 0.41 0.79 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 1uwt h ILE 239 CO 0.01 0.31 -0.25 0.40 -1.08 0.00 0.00 178.15 177.54 1uwt h ILE 240 N 0.71 0.49 0.00 2.19 2.04 -0.95 -0.51 117.51 121.49 1uwt h ILE 240 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.98 1uwt h ILE 240 Cb 0.34 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1uwt h ILE 240 CO 0.01 0.00 -0.15 0.06 0.00 0.00 0.00 178.15 178.07 1uwt h GLN 241 N -0.66 0.00 -0.54 2.37 3.07 -1.20 -0.83 115.11 117.32 1uwt h GLN 241 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.60 1uwt h GLN 241 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.06 1uwt h GLN 241 CO 0.08 0.15 0.00 0.00 0.09 0.00 0.00 178.83 179.15 1uwt h ALA 242 N 1.85 0.98 -0.16 0.06 0.00 -0.51 0.59 119.26 122.07 1uwt h ALA 242 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1uwt h ALA 242 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1uwt h ALA 242 CO 0.02 0.62 0.08 1.25 0.00 0.00 0.00 179.25 181.22 1uwt h HIS 243 N 0.85 0.23 -0.12 0.00 -0.00 0.32 0.73 115.15 117.16 1uwt h HIS 243 Ca 0.16 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1uwt h HIS 243 Cb 0.50 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.83 1uwt h HIS 243 CO 0.03 0.24 0.01 0.00 -0.00 0.00 0.00 177.93 178.21 1uwt h ALA 244 N 0.96 0.11 -0.45 5.26 0.00 -0.93 0.88 119.26 125.10 1uwt h ALA 244 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1uwt h ALA 244 Cb 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1uwt h ALA 244 CO -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 179.25 178.87 1uwt h ARG 245 N 0.05 0.69 -0.22 0.00 2.47 -0.83 -1.77 114.38 114.77 1uwt h ARG 245 Ca 0.05 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.52 1uwt h ARG 245 Cb 0.06 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1uwt h ARG 245 CO -0.08 0.65 -0.36 0.00 0.56 0.00 0.00 179.97 180.73 1uwt h ALA 246 N 1.42 0.96 -0.04 0.04 0.00 -0.43 -0.77 119.26 120.44 1uwt h ALA 246 Ca 0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1uwt h ALA 246 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1uwt h ALA 246 CO 0.00 0.61 0.02 -0.92 0.00 0.00 0.00 179.25 178.96 1uwt h TYR 247 N 0.41 0.06 -0.87 0.00 5.03 -0.09 -1.06 116.97 120.44 1uwt h TYR 247 Ca 0.04 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.38 1uwt h TYR 247 Cb 0.82 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 1uwt h TYR 247 CO 0.03 0.17 0.57 -0.44 -1.32 0.00 0.00 178.16 177.17 1uwt h ASP 248 N -0.08 0.95 -0.45 -2.11 3.32 -1.29 -0.89 116.42 115.87 1uwt h ASP 248 Ca 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uwt h ASP 248 Cb 0.14 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1uwt h ASP 248 CO -0.00 0.66 0.26 1.23 -1.72 0.00 0.00 179.24 179.67 1uwt h GLY 249 N 1.11 0.65 1.02 2.75 0.00 -0.94 -0.95 103.07 106.71 1uwt h GLY 249 Ca 0.34 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1uwt h GLY 249 CO -0.11 0.27 -0.24 -2.22 0.00 0.00 0.00 176.54 174.25 1uwt h ILE 250 N 0.59 1.28 0.00 2.60 2.04 -0.82 -2.79 117.51 120.41 1uwt h ILE 250 Ca 0.16 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1uwt h ILE 250 Cb 0.01 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1uwt h ILE 250 CO -0.03 0.46 -0.10 0.11 0.00 0.00 0.00 178.15 178.59 1uwt h LYS 251 N 0.60 0.00 0.00 2.37 1.79 -0.93 0.12 116.57 120.51 1uwt h LYS 251 Ca 0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1uwt h LYS 251 Cb 0.80 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1uwt h LYS 251 CO 0.07 0.10 -0.12 0.66 -1.08 0.00 0.00 179.45 179.07 1uwt h SER 252 N 0.00 0.00 -0.00 0.86 4.64 -0.89 -3.16 113.55 115.01 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1uwt h SER 252 CO 0.01 0.12 -0.05 0.52 -0.87 0.00 0.00 176.83 176.56 1uwt n VAL 253 N -3.49 0.00 -3.93 0.95 0.31 -0.54 -5.06 118.33 106.57 1uwt n VAL 253 Ca -0.01 -0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 1uwt n VAL 253 Cb 0.28 1.01 -0.10 0.00 -0.91 0.00 0.00 33.84 34.12 1uwt n VAL 253 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1uwt s SER 254 N -0.81 0.14 0.00 4.52 0.15 0.30 -4.87 113.70 113.13 1uwt s SER 254 Ca 0.01 -0.37 0.22 0.00 0.70 0.00 0.00 55.95 56.52 1uwt s SER 254 Cb 0.01 0.15 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1uwt s SER 254 CO 0.05 -0.34 1.09 0.29 1.20 0.00 0.00 173.24 175.53 1uwt n LYS 255 N 1.49 0.11 -1.34 5.44 4.76 -1.26 -4.31 118.16 123.05 1uwt n LYS 255 Ca -0.23 -0.08 -0.31 0.00 -2.87 0.00 0.00 58.31 54.81 1uwt n LYS 255 Cb 0.55 -1.50 0.08 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 -2.95 2.40 0.38 1.97 1.02 -1.26 -4.98 119.74 116.32 1uwt s LYS 256 Ca 0.10 1.15 -0.26 0.00 0.02 0.00 0.00 55.97 56.98 1uwt s LYS 256 Cb 0.17 -1.91 -0.09 0.00 -0.52 0.00 0.00 37.83 35.47 1uwt s LYS 256 CO 0.79 -1.54 1.23 -2.14 -0.92 0.00 0.00 175.35 172.77 1uwt s PRO 257 N -4.87 4.13 -0.13 -1.68 0.02 -1.26 -4.89 135.00 126.32 1uwt s PRO 257 Ca 0.61 2.01 -0.00 0.00 0.02 0.00 0.00 61.00 63.64 1uwt s PRO 257 Cb -0.17 -2.82 0.03 0.00 0.02 0.00 0.00 34.50 31.56 1uwt s PRO 257 CO 0.55 -0.31 -0.08 0.08 -0.33 0.00 0.00 177.00 176.91 1uwt s VAL 258 N -1.29 1.15 0.00 3.83 1.01 -1.26 -0.88 120.40 122.96 1uwt s VAL 258 Ca 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1uwt s VAL 258 Cb -0.35 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1uwt s VAL 258 CO 0.45 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.50 1uwt n GLY 259 N 4.90 6.79 3.19 4.51 0.00 0.01 -1.00 105.19 123.59 1uwt n GLY 259 Ca -0.13 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 0.64 0.10 -0.08 -0.61 2.07 -1.15 -1.71 121.20 120.47 1uwt s ILE 260 Ca 0.00 -0.84 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 1uwt s ILE 260 Cb 0.00 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 1uwt s ILE 260 CO 0.00 -0.46 -0.15 -0.63 -1.91 0.00 0.00 174.94 171.79 1uwt s ILE 261 N -2.51 2.95 0.03 2.00 1.01 -0.33 -0.39 121.20 123.94 1uwt s ILE 261 Ca -0.05 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1uwt s ILE 261 Cb -0.01 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 1uwt s ILE 261 CO -0.03 0.57 -0.07 -0.47 0.00 0.00 0.00 174.94 174.93 1uwt s TYR 262 N -0.29 0.64 -0.32 3.97 5.04 -0.89 0.23 117.35 125.75 1uwt s TYR 262 Ca 0.02 -0.35 -0.26 0.00 -2.44 0.00 0.00 57.07 54.04 1uwt s TYR 262 Cb -0.13 -0.39 0.01 0.00 0.35 0.00 0.00 41.96 41.80 1uwt s TYR 262 CO 0.03 -0.05 0.92 0.00 -1.34 0.00 0.00 175.55 175.10 1uwt s ALA 263 N -0.93 3.50 0.06 3.97 0.00 -1.26 -2.50 121.76 124.61 1uwt s ALA 263 Ca -0.05 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.69 1uwt s ALA 263 Cb -0.07 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1uwt s ALA 263 CO 0.00 -1.36 -0.11 -0.80 0.00 0.00 0.00 175.76 173.49 1uwt s ASN 264 N 1.66 4.33 0.05 0.00 0.01 -0.52 -5.00 114.94 115.46 1uwt s ASN 264 Ca 0.38 -0.33 0.05 0.00 -0.71 0.00 0.00 52.86 52.25 1uwt s ASN 264 Cb -0.13 -0.85 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 1uwt s ASN 264 CO 0.14 0.22 -0.14 -0.55 -1.51 0.00 0.00 177.10 175.26 1uwt s SER 265 N -1.84 1.69 -0.34 -1.22 0.15 -1.26 -4.27 113.70 106.61 1uwt s SER 265 Ca 0.19 -0.50 -0.24 0.00 0.70 0.00 0.00 55.95 56.10 1uwt s SER 265 Cb -0.11 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1uwt s SER 265 CO 0.10 0.01 0.80 -0.55 1.20 0.00 0.00 173.24 174.81 1uwt s SER 266 N -1.30 6.62 -0.14 5.45 0.15 -1.20 -4.86 113.70 118.42 1uwt s SER 266 Ca 0.01 0.54 -0.24 0.00 0.70 0.00 0.00 55.95 56.95 1uwt s SER 266 Cb -0.08 -2.41 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 1uwt s SER 266 CO 0.02 -0.69 0.76 -0.36 1.20 0.00 0.00 173.24 174.17 1uwt s PHE 267 N 3.08 3.46 -0.02 3.44 0.08 -1.26 -0.23 117.98 126.53 1uwt s PHE 267 Ca 0.33 1.21 0.06 0.00 0.12 0.00 0.00 56.93 58.65 1uwt s PHE 267 Cb -0.13 -2.92 -0.01 0.00 -0.57 0.00 0.00 43.02 39.38 1uwt s PHE 267 CO 0.15 -0.13 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.27 1uwt s GLN 268 N 1.71 1.81 0.13 0.44 -1.52 0.40 -4.95 119.66 117.68 1uwt s GLN 268 Ca 0.37 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.71 1uwt s GLN 268 Cb -0.17 -1.71 -0.06 0.00 -0.22 0.00 0.00 33.01 30.85 1uwt s GLN 268 CO 0.14 0.44 1.02 -1.25 -0.25 0.00 0.00 175.29 175.39 1uwt s PRO 269 N -0.43 4.65 0.10 2.91 0.04 -1.26 -0.90 135.00 140.10 1uwt s PRO 269 Ca 0.06 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 1uwt s PRO 269 Cb -0.09 -3.34 -0.12 0.00 0.04 0.00 0.00 34.50 30.98 1uwt s PRO 269 CO -0.00 0.14 1.68 1.25 0.04 0.00 0.00 177.00 180.10 1uwt h LEU 270 N 5.49 -0.44 -9.24 -3.56 5.85 -1.51 -3.46 115.31 108.45 1uwt h LEU 270 Ca -0.43 0.04 -0.51 0.00 0.84 0.00 0.00 57.88 57.82 1uwt h LEU 270 Cb 1.21 0.15 -0.14 0.00 0.37 0.00 0.00 40.66 42.25 1uwt h LEU 270 CO 0.73 -0.26 -0.65 0.42 -0.34 0.00 0.00 178.44 178.34 1uwt s THR 271 N -6.12 1.60 -1.12 1.05 -4.23 -1.26 -5.03 115.64 100.53 1uwt s THR 271 Ca -0.15 -2.08 0.06 0.00 -1.18 0.00 0.00 61.69 58.34 1uwt s THR 271 Cb 0.06 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.35 1uwt s THR 271 CO 0.65 -0.18 1.15 -0.90 -0.54 0.00 0.00 174.62 174.80 1uwt n ASP 272 N -0.67 0.00 -1.02 3.99 5.75 -1.26 -1.77 116.55 121.56 1uwt n ASP 272 Ca -0.05 0.41 0.05 0.00 -0.01 0.00 0.00 54.79 55.19 1uwt n ASP 272 Cb 0.65 -0.44 0.20 0.00 -1.03 0.00 0.00 41.12 40.49 1uwt n ASP 272 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1uwt n LYS 273 N -1.44 2.58 -0.06 0.11 4.01 -1.26 -4.32 118.16 117.79 1uwt n LYS 273 Ca 0.02 -1.55 0.08 0.00 -0.51 0.00 0.00 58.31 56.35 1uwt n LYS 273 Cb 0.06 -1.66 0.11 0.00 -0.51 0.00 0.00 35.03 33.04 1uwt n LYS 273 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1uwt n ASP 274 N 0.46 2.28 -0.10 4.39 8.00 -0.73 -4.74 116.55 126.11 1uwt n ASP 274 Ca 0.14 -2.86 -0.04 0.00 0.71 0.00 0.00 54.79 52.74 1uwt n ASP 274 Cb 0.58 -0.34 0.17 0.00 -0.02 0.00 0.00 41.12 41.50 1uwt n ASP 274 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1uwt h MET 275 N 0.01 0.76 -0.50 -1.24 2.86 -1.79 -2.41 114.93 112.61 1uwt h MET 275 Ca 0.00 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 1uwt h MET 275 Cb 0.90 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1uwt h MET 275 CO 0.00 0.78 0.08 1.49 1.06 0.00 0.00 176.91 180.32 1uwt h GLU 276 N 0.71 0.84 -0.89 1.72 4.81 -1.95 -2.48 114.58 117.33 1uwt h GLU 276 Ca 0.14 -0.23 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1uwt h GLU 276 Cb 0.46 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.66 1uwt h GLU 276 CO 0.02 0.83 0.51 0.00 -0.73 0.00 0.00 179.01 179.64 1uwt h ALA 277 N 0.97 1.34 -0.05 2.92 0.00 -1.82 -0.34 119.26 122.28 1uwt h ALA 277 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1uwt h ALA 277 Cb 0.40 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1uwt h ALA 277 CO 0.01 0.06 0.03 0.28 0.00 0.00 0.00 179.25 179.63 1uwt h VAL 278 N 0.79 1.03 -0.52 0.00 2.07 -1.07 -1.06 116.25 117.49 1uwt h VAL 278 Ca 0.46 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.95 1uwt h VAL 278 Cb 0.53 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1uwt h VAL 278 CO -0.30 0.03 0.24 -0.33 0.02 0.00 0.00 177.57 177.23 1uwt h GLU 279 N 0.04 0.46 -0.63 1.57 5.08 -0.90 0.13 114.58 120.33 1uwt h GLU 279 Ca 0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1uwt h GLU 279 Cb 0.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1uwt h GLU 279 CO -0.00 0.30 0.31 0.52 -1.00 0.00 0.00 179.01 179.13 1uwt h MET 280 N 0.47 0.91 -0.76 2.33 2.86 -0.92 -0.62 114.93 119.20 1uwt h MET 280 Ca 0.23 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1uwt h MET 280 Cb 0.18 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1uwt h MET 280 CO -0.18 0.73 0.39 0.00 1.06 0.00 0.00 176.91 178.91 1uwt h ALA 281 N 1.13 0.98 -0.66 6.32 0.00 -0.59 -0.62 119.26 125.83 1uwt h ALA 281 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1uwt h ALA 281 Cb 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1uwt h ALA 281 CO -0.03 0.51 0.15 0.93 0.00 0.00 0.00 179.25 180.81 1uwt h GLU 282 N 1.06 1.05 0.28 0.00 5.08 -0.45 -1.56 114.58 120.05 1uwt h GLU 282 Ca 0.26 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1uwt h GLU 282 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1uwt h GLU 282 CO -0.04 0.94 -0.22 -0.91 -1.00 0.00 0.00 179.01 177.78 1uwt h ASN 283 N 1.00 -0.57 1.14 1.42 2.35 -0.90 -0.78 115.58 119.25 1uwt h ASN 283 Ca 0.21 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1uwt h ASN 283 Cb 0.37 0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1uwt h ASN 283 CO 0.00 -0.34 0.00 0.44 -1.65 0.00 0.00 177.43 175.89 1uwt h ASP 284 N -0.51 0.00 0.00 5.81 5.19 -0.96 -2.04 116.42 123.91 1uwt h ASP 284 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1uwt h ASP 284 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1uwt h ASP 284 CO -0.01 0.00 -0.52 0.59 -3.12 0.00 0.00 179.24 176.18 1uwt n ASN 285 N -2.72 1.74 0.12 6.45 3.02 -0.60 -4.91 115.26 118.35 1uwt n ASN 285 Ca 0.02 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1uwt n ASN 285 Cb 0.33 1.05 0.00 0.00 -0.61 0.00 0.00 39.78 40.56 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 -1.27 0.00 -0.14 3.52 0.63 -0.62 -4.91 116.66 113.87 1uwt n ARG 286 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1uwt n ARG 286 Cb 0.06 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.95 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 1.01 -0.82 -0.14 -0.00 -1.12 -2.57 115.95 112.30 1uwt h TRP 287 Ca 0.00 -0.25 0.15 0.00 -0.00 0.00 0.00 58.89 58.79 1uwt h TRP 287 Cb 0.00 -0.23 -0.09 0.00 -0.00 0.00 0.00 29.16 28.83 1uwt h TRP 287 CO 0.00 1.03 0.40 0.11 -0.00 0.00 0.00 178.44 179.98 1uwt h TRP 288 N 0.70 0.70 0.26 0.49 5.08 -1.62 0.38 115.95 121.93 1uwt h TRP 288 Ca 0.09 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.09 1uwt h TRP 288 Cb 0.76 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 26.74 1uwt h TRP 288 CO 0.06 0.15 -0.12 0.35 -1.28 0.00 0.00 178.44 177.59 1uwt h PHE 289 N 0.57 -0.32 0.00 0.12 3.57 -1.78 -2.80 116.94 116.31 1uwt h PHE 289 Ca 0.45 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.83 1uwt h PHE 289 Cb 0.65 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1uwt h PHE 289 CO -0.11 -0.00 -0.56 0.74 -2.23 0.00 0.00 178.31 176.15 1uwt h PHE 290 N -0.64 0.00 0.00 0.41 -1.00 -1.16 -2.44 116.94 112.11 1uwt h PHE 290 Ca -0.04 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 1uwt h PHE 290 Cb 0.46 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1uwt h PHE 290 CO 0.02 0.56 -0.20 -0.44 -1.61 0.00 0.00 178.31 176.64 1uwt h ASP 291 N 0.00 0.00 0.04 2.17 3.32 -0.31 -1.28 116.42 120.36 1uwt h ASP 291 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1uwt h ASP 291 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1uwt h ASP 291 CO 0.07 0.20 -0.02 0.00 -1.72 0.00 0.00 179.24 177.77 1uwt h ALA 292 N 1.80 -0.05 -0.00 3.45 0.00 -1.16 -0.70 119.26 122.60 1uwt h ALA 292 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uwt h ALA 292 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1uwt h ALA 292 CO 0.03 -0.26 -0.23 0.44 0.00 0.00 0.00 179.25 179.23 1uwt n ILE 293 N -4.86 0.00 -0.07 0.00 -5.35 -1.11 -0.98 119.36 106.99 1uwt n ILE 293 Ca -0.09 -0.04 -0.11 0.00 -0.27 0.00 0.00 62.75 62.24 1uwt n ILE 293 Cb 0.27 -0.01 -0.06 0.00 -1.74 0.00 0.00 39.64 38.10 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 -1.21 0.75 0.63 7.28 5.41 -0.49 -1.69 119.36 130.04 1uwt n ILE 294 Ca 0.10 -0.25 0.07 0.00 1.00 0.00 0.00 62.75 63.67 1uwt n ILE 294 Cb 0.32 -1.25 0.04 0.00 -0.71 0.00 0.00 39.64 38.04 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 -3.18 1.30 -0.90 0.38 1.74 -0.58 -0.46 116.66 114.96 1uwt n ARG 295 Ca -0.25 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 1uwt n ARG 295 Cb 0.72 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 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 0.91 0.41 3.68 -0.13 0.00 -0.15 -4.72 105.19 105.20 1uwt n GLY 296 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.67 4.39 0.12 1.61 2.02 -0.38 -1.24 118.70 124.57 1uwt s GLU 297 Ca 0.00 1.26 -0.12 0.00 0.02 0.00 0.00 54.97 56.13 1uwt s GLU 297 Cb 0.00 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.70 1uwt s GLU 297 CO 0.00 -0.29 0.32 -1.50 0.02 0.00 0.00 175.26 173.81 1uwt s ILE 298 N 1.97 0.09 -0.16 -1.63 2.07 -0.61 -2.63 121.20 120.30 1uwt s ILE 298 Ca 0.45 -0.94 -0.06 0.00 -1.41 0.00 0.00 60.65 58.70 1uwt s ILE 298 Cb -0.18 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.00 1uwt s ILE 298 CO 0.17 -0.41 0.02 -0.89 -1.91 0.00 0.00 174.94 171.91 1uwt s THR 299 N -3.86 4.43 0.00 4.00 2.01 -1.26 -0.67 115.64 120.30 1uwt s THR 299 Ca 0.06 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1uwt s THR 299 Cb 0.03 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.57 1uwt s THR 299 CO -0.09 0.49 0.00 -1.14 -0.69 0.00 0.00 174.62 173.19 1uwt n ARG 300 N 3.38 1.94 -1.09 4.92 0.63 -1.26 -5.01 116.66 120.17 1uwt n ARG 300 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1uwt n ARG 300 Cb 0.52 -0.88 -0.00 0.00 0.45 0.00 0.00 32.46 32.55 1uwt n ARG 300 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1uwt n GLU 303 N -1.29 -0.85 -3.67 -0.14 0.28 -1.26 -5.05 120.64 108.66 1uwt n GLU 303 Ca 0.00 0.66 -0.39 0.00 -0.16 0.00 0.00 57.16 57.27 1uwt n GLU 303 Cb 0.12 -1.23 -0.12 0.00 1.43 0.00 0.00 31.44 31.64 1uwt n GLU 303 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1uwt s LYS 304 N -4.35 2.90 0.27 3.44 1.02 -1.26 -5.00 119.74 116.76 1uwt s LYS 304 Ca 0.00 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.04 1uwt s LYS 304 Cb 0.00 -3.59 -0.06 0.00 -0.52 0.00 0.00 37.83 33.67 1uwt s LYS 304 CO 0.00 -0.61 -0.05 0.96 -0.92 0.00 0.00 175.35 174.73 1uwt s ILE 305 N 1.52 1.57 -0.19 2.17 -4.36 0.16 -4.98 121.20 117.09 1uwt s ILE 305 Ca 0.02 -2.11 -0.03 0.00 -0.26 0.00 0.00 60.65 58.26 1uwt s ILE 305 Cb -0.19 -2.43 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 1uwt s ILE 305 CO 0.05 -0.31 -0.06 -0.69 0.24 0.00 0.00 174.94 174.18 1uwt s VAL 306 N -3.06 3.46 -0.27 8.37 1.01 -1.26 -1.57 120.40 127.08 1uwt s VAL 306 Ca 0.29 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1uwt s VAL 306 Cb 0.04 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1uwt s VAL 306 CO 0.11 0.46 0.08 -0.13 0.00 0.00 0.00 175.10 175.63 1uwt s ARG 307 N 0.99 3.44 0.53 2.72 0.52 -0.37 -4.97 118.95 121.81 1uwt s ARG 307 Ca 0.00 -0.63 0.30 0.00 -0.52 0.00 0.00 55.73 54.88 1uwt s ARG 307 Cb -0.15 -3.37 1.46 0.00 0.52 0.00 0.00 34.95 33.41 1uwt s ARG 307 CO 0.00 -0.30 2.05 -0.44 0.02 0.00 0.00 175.30 176.63 1uwt h ASP 308 N 8.25 0.00 1.34 0.23 3.32 -1.95 -1.41 116.42 126.20 1uwt h ASP 308 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1uwt h ASP 308 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1uwt h ASP 308 CO 0.59 0.10 0.00 -2.24 -1.72 0.00 0.00 179.24 175.98 1uwt h ASP 309 N 0.00 0.00 0.17 6.45 2.03 -1.93 -3.30 116.42 119.84 1uwt h ASP 309 Ca -0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 1uwt h ASP 309 Cb 0.40 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.85 1uwt h ASP 309 CO 0.01 0.00 -2.10 0.18 -1.03 0.00 0.00 179.24 176.31 1uwt n LEU 310 N -2.73 1.74 -4.64 0.15 4.77 -0.58 -4.88 117.00 110.83 1uwt n LEU 310 Ca 0.03 0.15 -0.47 0.00 -0.03 0.00 0.00 56.01 55.69 1uwt n LEU 310 Cb 0.38 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1uwt n LEU 310 CO 0.28 0.68 1.02 1.17 -1.33 0.00 0.00 177.39 179.21 1uwt n LYS 311 N -3.18 1.77 -1.16 3.23 4.81 -0.90 -3.02 118.16 119.71 1uwt n LYS 311 Ca -0.31 0.64 -0.06 0.00 -0.87 0.00 0.00 58.31 57.71 1uwt n LYS 311 Cb 1.06 -2.31 -0.02 0.00 0.02 0.00 0.00 35.03 33.77 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 2.71 0.78 2.42 3.14 0.00 0.39 -4.89 105.19 109.74 1uwt n GLY 312 Ca 0.16 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.28 3.71 -3.54 1.61 3.00 -0.68 -4.84 116.66 113.63 1uwt n ARG 313 Ca -0.06 -2.80 -0.01 0.00 -0.01 0.00 0.00 57.85 54.97 1uwt n ARG 313 Cb 0.25 -2.48 -0.05 0.00 0.00 0.00 0.00 32.46 30.18 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 -1.65 -0.72 -0.14 0.55 2.96 -1.26 -4.87 118.68 113.55 1uwt s LEU 314 Ca 0.59 1.04 0.18 0.00 -0.22 0.00 0.00 54.13 55.72 1uwt s LEU 314 Cb 0.25 1.90 -0.26 0.00 0.50 0.00 0.00 46.19 48.57 1uwt s LEU 314 CO -0.12 -0.15 0.17 0.47 -1.32 0.00 0.00 176.35 175.41 1uwt n ASP 315 N 4.66 0.33 -3.47 3.68 8.00 -0.17 -5.03 116.55 124.54 1uwt n ASP 315 Ca -0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.25 1uwt n ASP 315 Cb 0.54 1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 42.85 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 -2.73 -0.46 -0.13 1.24 1.48 -1.25 -4.45 118.94 112.63 1uwt s TRP 316 Ca -0.09 0.26 0.03 0.00 -1.06 0.00 0.00 56.10 55.24 1uwt s TRP 316 Cb 0.08 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.88 1uwt s TRP 316 CO 0.80 -0.80 -0.22 0.42 -4.06 0.00 0.00 176.95 173.09 1uwt s ILE 317 N -3.65 2.00 -0.27 0.66 1.01 -0.88 -2.93 121.20 117.15 1uwt s ILE 317 Ca 0.01 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.54 1uwt s ILE 317 Cb -0.00 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1uwt s ILE 317 CO -0.12 0.54 0.44 -0.83 0.00 0.00 0.00 174.94 174.97 1uwt s GLY 318 N 0.73 1.86 -0.37 6.18 0.00 0.47 -2.17 107.32 114.02 1uwt s GLY 318 Ca -0.10 -0.72 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 1uwt s GLY 318 CO 0.00 1.11 0.28 0.14 0.00 0.00 0.00 173.10 174.63 1uwt s VAL 319 N 2.19 5.26 -0.25 1.40 1.01 0.14 -2.09 120.40 128.06 1uwt s VAL 319 Ca 0.18 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1uwt s VAL 319 Cb -0.16 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1uwt s VAL 319 CO 0.10 -0.15 0.25 0.20 0.00 0.00 0.00 175.10 175.50 1uwt s ASN 320 N 1.71 6.17 -0.03 3.32 -0.87 -1.04 -0.25 114.94 123.95 1uwt s ASN 320 Ca 0.06 0.18 -0.00 0.00 -1.57 0.00 0.00 52.86 51.53 1uwt s ASN 320 Cb -0.18 -2.15 0.03 0.00 -0.02 0.00 0.00 41.25 38.93 1uwt s ASN 320 CO 0.11 -0.04 0.02 -0.47 -2.57 0.00 0.00 177.10 174.14 1uwt s TYR 321 N 1.52 0.19 0.00 2.20 5.04 -0.26 -1.44 117.35 124.60 1uwt s TYR 321 Ca 0.11 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1uwt s TYR 321 Cb -0.15 -0.36 0.00 0.00 0.35 0.00 0.00 41.96 41.80 1uwt s TYR 321 CO 0.08 -0.13 0.00 0.66 -1.34 0.00 0.00 175.55 174.82 1uwt n TYR 322 N 4.30 0.00 -3.86 4.97 4.02 -1.26 -4.11 117.16 121.22 1uwt n TYR 322 Ca -0.24 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.63 1uwt n TYR 322 Cb 0.50 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.84 1uwt n TYR 322 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1uwt n THR 323 N -2.46 0.00 -3.03 -0.72 5.66 -1.26 -4.72 114.28 107.75 1uwt n THR 323 Ca 0.00 -0.46 -0.18 0.00 -3.05 0.00 0.00 64.05 60.36 1uwt n THR 323 Cb 0.50 0.66 0.03 0.00 -1.55 0.00 0.00 70.33 69.97 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 -2.04 2.59 -0.07 1.09 1.70 -1.26 -3.28 118.95 117.68 1uwt s ARG 324 Ca 0.21 -1.43 0.02 0.00 -0.47 0.00 0.00 55.73 54.06 1uwt s ARG 324 Cb -0.02 -2.71 0.02 0.00 -0.57 0.00 0.00 34.95 31.67 1uwt s ARG 324 CO 0.04 -0.54 -0.10 0.99 -1.08 0.00 0.00 175.30 174.61 1uwt s THR 325 N -2.50 1.02 -0.16 4.99 2.01 0.69 -3.91 115.64 117.77 1uwt s THR 325 Ca 0.58 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 1uwt s THR 325 Cb -0.08 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1uwt s THR 325 CO 0.36 0.33 0.28 -0.69 -0.69 0.00 0.00 174.62 174.21 1uwt s VAL 326 N 0.79 5.31 0.13 3.82 1.01 -1.26 -0.45 120.40 129.76 1uwt s VAL 326 Ca -0.12 0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.47 1uwt s VAL 326 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1uwt s VAL 326 CO 0.02 0.40 -0.20 0.68 0.00 0.00 0.00 175.10 176.00 1uwt s VAL 327 N 0.43 1.80 0.10 2.92 -7.23 -0.08 -0.71 120.40 117.63 1uwt s VAL 327 Ca 0.16 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1uwt s VAL 327 Cb -0.13 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1uwt s VAL 327 CO 0.04 -0.17 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.97 1uwt s LYS 328 N -2.33 0.86 0.45 4.82 -2.85 -0.42 -1.29 119.74 118.98 1uwt s LYS 328 Ca 0.11 -1.21 -0.22 0.00 -1.00 0.00 0.00 55.97 53.66 1uwt s LYS 328 Cb -0.08 -0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 35.13 1uwt s LYS 328 CO 0.06 0.06 1.07 1.03 0.10 0.00 0.00 175.35 177.67 1uwt s ARG 329 N -3.04 3.89 0.35 1.78 1.81 -1.26 -1.34 118.95 121.15 1uwt s ARG 329 Ca 0.07 1.50 0.03 0.00 -1.72 0.00 0.00 55.73 55.62 1uwt s ARG 329 Cb -0.01 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.15 1uwt s ARG 329 CO -0.01 -0.38 0.11 0.99 -0.68 0.00 0.00 175.30 175.33 1uwt s THR 330 N -1.77 0.74 0.07 0.02 2.01 0.27 -4.84 115.64 112.14 1uwt s THR 330 Ca 0.64 -2.00 -0.31 0.00 0.31 0.00 0.00 61.69 60.33 1uwt s THR 330 Cb -0.21 -2.55 -0.18 0.00 0.01 0.00 0.00 72.50 69.57 1uwt s THR 330 CO 0.26 0.00 1.59 -0.33 -0.69 0.00 0.00 174.62 175.45 1uwt h GLU 331 N 2.02 -0.70 -0.10 4.92 3.07 -2.00 -3.24 114.58 118.55 1uwt h GLU 331 Ca -0.37 0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1uwt h GLU 331 Cb 1.26 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.32 1uwt h GLU 331 CO 0.61 -0.45 0.05 -0.22 -1.40 0.00 0.00 179.01 177.60 1uwt h LYS 332 N -0.77 0.13 0.00 2.33 3.11 -2.02 -3.48 116.57 115.87 1uwt h LYS 332 Ca -0.07 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1uwt h LYS 332 Cb 0.57 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1uwt h LYS 332 CO 0.12 0.10 0.00 0.41 -2.81 0.00 0.00 179.45 177.27 1uwt n GLY 333 N -1.49 -1.33 3.18 5.01 0.00 -1.22 -5.15 105.19 104.19 1uwt n GLY 333 Ca -0.01 0.51 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 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 0.20 0.03 1.61 1.13 -1.26 -0.56 117.35 118.50 1uwt s TYR 334 Ca 0.00 -0.62 0.02 0.00 -1.41 0.00 0.00 57.07 55.06 1uwt s TYR 334 Cb 0.00 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.73 1uwt s TYR 334 CO 0.00 -0.49 -0.07 0.14 -2.51 0.00 0.00 175.55 172.61 1uwt s VAL 335 N -3.65 0.52 0.27 -3.49 -7.23 -0.45 -4.87 120.40 101.50 1uwt s VAL 335 Ca 0.04 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1uwt s VAL 335 Cb 0.04 -0.55 -0.08 0.00 0.56 0.00 0.00 36.38 36.35 1uwt s VAL 335 CO -0.10 -0.26 0.62 -0.94 -0.31 0.00 0.00 175.10 174.12 1uwt s SER 336 N -1.23 6.67 -0.15 4.85 1.04 -1.26 -1.30 113.70 122.33 1uwt s SER 336 Ca -0.07 1.05 -0.05 0.00 0.48 0.00 0.00 55.95 57.36 1uwt s SER 336 Cb -0.08 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 1uwt s SER 336 CO 0.00 -0.13 0.03 -0.76 0.98 0.00 0.00 173.24 173.36 1uwt s LEU 337 N -2.92 3.69 0.70 2.42 1.43 0.11 -4.96 118.68 119.15 1uwt s LEU 337 Ca 0.50 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.54 1uwt s LEU 337 Cb -0.11 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1uwt s LEU 337 CO 0.20 0.24 1.15 -0.83 0.23 0.00 0.00 176.35 177.34 1uwt s GLY 338 N -0.07 2.18 0.00 -3.19 0.00 -1.26 -3.84 107.32 101.15 1uwt s GLY 338 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1uwt s GLY 338 CO 0.02 1.04 0.00 0.61 0.00 0.00 0.00 173.10 174.77 1uwt n GLY 339 N -0.16 0.78 3.29 0.20 0.00 0.10 -4.97 105.19 104.43 1uwt n GLY 339 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.91 1.41 0.00 1.61 2.02 -1.25 -0.72 117.35 117.51 1uwt s TYR 340 Ca 0.00 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 1uwt s TYR 340 Cb 0.00 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 1uwt s TYR 340 CO 0.00 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 1uwt n GLY 341 N -0.34 3.32 0.34 0.71 0.00 -1.25 -1.96 105.19 106.01 1uwt n GLY 341 Ca -0.06 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 13.79 0.00 -1.59 1.61 1.44 -1.25 -0.58 115.22 128.63 1uwt n HIS 342 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1uwt n HIS 342 Cb 0.00 -0.04 0.06 0.00 0.12 0.00 0.00 29.99 30.12 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 1.20 5.95 3.93 -1.39 0.00 -0.83 -4.64 105.19 109.40 1uwt n GLY 343 Ca 0.18 -2.42 -0.20 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.24 3.66 0.39 0.00 2.02 -1.26 -4.57 118.70 114.69 1uwt s GLU 345 Ca 0.50 1.64 -0.26 0.00 0.02 0.00 0.00 54.97 56.87 1uwt s GLU 345 Cb -0.05 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.86 1uwt s GLU 345 CO 0.30 -0.61 1.19 1.03 0.02 0.00 0.00 175.26 177.20 1uwt s ARG 346 N -2.96 4.10 -1.10 1.61 0.52 -1.26 -3.91 118.95 115.94 1uwt s ARG 346 Ca 0.67 1.91 -0.20 0.00 -0.52 0.00 0.00 55.73 57.58 1uwt s ARG 346 Cb -0.25 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.48 1uwt s ARG 346 CO 0.29 -0.30 0.76 0.09 0.02 0.00 0.00 175.30 176.16 1uwt n ASN 347 N 0.20 -5.26 0.00 0.23 4.13 -0.47 -4.91 115.26 109.17 1uwt n ASN 347 Ca 0.04 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.29 1uwt n ASN 347 Cb 0.46 -3.07 0.00 0.00 -1.54 0.00 0.00 39.78 35.63 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 -2.53 1.56 -3.94 6.41 2.88 -1.25 -4.48 113.62 112.26 1uwt n SER 348 Ca -0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.32 1uwt n SER 348 Cb 0.59 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.92 1uwt n SER 348 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1uwt s VAL 349 N 0.03 0.16 0.98 2.46 1.01 -1.26 -0.79 120.40 122.98 1uwt s VAL 349 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1uwt s VAL 349 Cb 0.00 -0.21 0.18 0.00 0.00 0.00 0.00 36.38 36.35 1uwt s VAL 349 CO 0.00 -0.21 1.19 -0.94 0.00 0.00 0.00 175.10 175.14 1uwt s SER 350 N -0.72 2.95 0.67 3.32 1.04 0.13 -4.77 113.70 116.31 1uwt s SER 350 Ca -0.07 0.68 0.41 0.00 0.48 0.00 0.00 55.95 57.46 1uwt s SER 350 Cb -0.05 -1.03 2.27 0.00 0.10 0.00 0.00 66.02 67.31 1uwt s SER 350 CO -0.00 -2.87 2.29 -0.07 0.98 0.00 0.00 173.24 173.56 1uwt h LEU 351 N -1.73 0.00 -1.38 2.42 3.38 -1.26 0.20 115.31 116.95 1uwt h LEU 351 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1uwt h LEU 351 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1uwt h LEU 351 CO 0.50 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.03 1uwt n ALA 352 N -2.06 2.47 -1.06 1.53 0.00 -1.26 -4.94 120.51 115.19 1uwt n ALA 352 Ca -0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.74 1uwt n ALA 352 Cb 0.13 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 1.15 0.55 3.85 0.00 0.00 0.71 -5.03 105.19 106.42 1uwt n GLY 353 Ca 0.15 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.49 4.41 0.49 0.99 1.43 -1.26 -4.74 118.68 119.52 1uwt s LEU 354 Ca 0.00 0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 53.80 1uwt s LEU 354 Cb 0.00 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 43.31 1uwt s LEU 354 CO 0.00 0.23 1.19 -2.16 0.23 0.00 0.00 176.35 175.84 1uwt s PRO 355 N -1.52 3.57 0.28 1.29 0.04 -1.26 0.18 135.00 137.57 1uwt s PRO 355 Ca 0.29 1.81 0.09 0.00 0.04 0.00 0.00 61.00 63.24 1uwt s PRO 355 Cb -0.15 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1uwt s PRO 355 CO 0.16 -0.72 0.03 0.95 0.04 0.00 0.00 177.00 177.46 1uwt s THR 356 N -1.55 3.43 0.48 1.26 -4.23 0.03 -2.06 115.64 112.99 1uwt s THR 356 Ca 0.67 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1uwt s THR 356 Cb -0.29 -2.90 0.10 0.00 1.34 0.00 0.00 72.50 70.75 1uwt s THR 356 CO 0.35 -0.34 0.65 -1.54 -0.54 0.00 0.00 174.62 173.20 1uwt n SER 357 N -0.95 0.65 0.24 3.99 3.41 -0.57 -4.00 113.62 116.39 1uwt n SER 357 Ca -0.06 -1.60 0.16 0.00 -0.26 0.00 0.00 58.87 57.11 1uwt n SER 357 Cb 0.59 -0.44 0.83 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.52 0.00 -0.01 4.04 5.19 -1.57 -0.92 116.42 122.62 1uwt h ASP 358 Ca -0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1uwt h ASP 358 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1uwt h ASP 358 CO 0.21 0.00 -0.50 0.33 -3.12 0.00 0.00 179.24 176.16 1uwt n PHE 359 N -2.60 0.00 -1.21 4.55 -0.00 -1.26 -4.67 117.46 112.28 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 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.57 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 1.36 0.68 3.75 7.13 0.00 -0.49 -4.78 105.19 112.83 1uwt n GLY 360 Ca 0.08 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 3.41 0.27 1.61 0.51 -1.26 -2.00 118.94 119.48 1uwt s TRP 361 Ca 0.00 0.31 -0.29 0.00 -2.12 0.00 0.00 56.10 54.00 1uwt s TRP 361 Cb 0.00 -2.05 -0.09 0.00 -0.81 0.00 0.00 33.47 30.51 1uwt s TRP 361 CO 0.00 0.39 1.04 -2.00 -0.51 0.00 0.00 176.95 175.87 1uwt s GLU 362 N -0.11 4.69 -0.35 4.98 2.12 0.25 -1.50 118.70 128.78 1uwt s GLU 362 Ca 0.09 1.66 -0.29 0.00 0.36 0.00 0.00 54.97 56.79 1uwt s GLU 362 Cb -0.12 -3.17 0.01 0.00 0.26 0.00 0.00 34.13 31.11 1uwt s GLU 362 CO 0.00 0.30 1.30 0.12 -0.54 0.00 0.00 175.26 176.45 1uwt s PHE 363 N -1.21 2.65 -0.45 5.30 2.19 -0.88 -4.65 117.98 120.94 1uwt s PHE 363 Ca 0.44 0.82 0.07 0.00 0.33 0.00 0.00 56.93 58.59 1uwt s PHE 363 Cb -0.29 -4.06 0.26 0.00 -1.31 0.00 0.00 43.02 37.62 1uwt s PHE 363 CO 0.37 -1.68 0.79 0.34 1.83 0.00 0.00 175.22 176.87 1uwt n PHE 364 N 7.92 -2.20 0.27 10.12 7.35 -1.26 -4.82 117.46 134.85 1uwt n PHE 364 Ca 0.15 -2.46 0.15 0.00 -0.76 0.00 0.00 57.45 54.53 1uwt n PHE 364 Cb 0.47 0.88 0.78 0.00 0.35 0.00 0.00 39.48 41.96 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 3.84 0.00 -0.14 -7.13 0.13 -1.92 -2.54 132.00 124.25 1uwt h PRO 365 Ca -0.06 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1uwt h PRO 365 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1uwt h PRO 365 CO 0.36 0.09 0.09 1.49 -0.23 0.00 0.00 178.00 179.80 1uwt h GLU 366 N 0.00 0.14 -0.21 0.86 4.57 -1.95 -2.35 114.58 115.64 1uwt h GLU 366 Ca -0.00 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1uwt h GLU 366 Cb 0.33 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1uwt h GLU 366 CO 0.01 0.09 0.17 0.78 -1.18 0.00 0.00 179.01 178.88 1uwt h GLY 367 N 0.14 0.00 0.96 1.92 0.00 -1.85 -1.54 103.07 102.71 1uwt h GLY 367 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 1uwt h GLY 367 CO -0.01 0.00 -0.09 -2.00 0.00 0.00 0.00 176.54 174.44 1uwt h LEU 368 N 0.00 0.74 -0.20 3.11 5.85 -1.63 -0.74 115.31 122.45 1uwt h LEU 368 Ca 0.10 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1uwt h LEU 368 Cb 0.44 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1uwt h LEU 368 CO -0.00 0.93 0.08 0.22 -0.34 0.00 0.00 178.44 179.33 1uwt h TYR 369 N 0.54 0.14 -0.43 1.25 3.20 -1.43 -0.16 116.97 120.08 1uwt h TYR 369 Ca 0.10 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.06 1uwt h TYR 369 Cb 0.61 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.76 1uwt h TYR 369 CO 0.05 0.07 -0.13 0.22 -1.64 0.00 0.00 178.16 176.73 1uwt h ASP 370 N 0.18 -0.47 -0.16 -2.11 3.58 -1.17 -1.97 116.42 114.30 1uwt h ASP 370 Ca 0.08 0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 1uwt h ASP 370 Cb 0.04 0.30 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1uwt h ASP 370 CO -0.08 -0.17 -0.22 0.58 -2.88 0.00 0.00 179.24 176.48 1uwt h VAL 371 N -0.03 1.35 -0.49 2.25 2.07 -0.70 -0.88 116.25 119.82 1uwt h VAL 371 Ca 0.21 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1uwt h VAL 371 Cb 0.35 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1uwt h VAL 371 CO -0.46 0.42 0.31 -0.07 0.02 0.00 0.00 177.57 177.79 1uwt h LEU 372 N 0.05 0.58 -0.27 2.57 3.38 -0.93 -2.05 115.31 118.64 1uwt h LEU 372 Ca 0.02 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 1uwt h LEU 372 Cb 0.78 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1uwt h LEU 372 CO 0.05 0.45 -0.72 0.71 0.09 0.00 0.00 178.44 179.03 1uwt h THR 373 N 0.66 1.30 -0.33 0.22 1.35 -1.31 -1.24 112.91 113.56 1uwt h THR 373 Ca 0.18 -1.96 0.04 0.00 -0.55 0.00 0.00 66.41 64.11 1uwt h THR 373 Cb -0.03 1.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 1uwt h THR 373 CO -0.04 0.62 0.11 0.11 -0.25 0.00 0.00 175.52 176.07 1uwt h LYS 374 N 0.49 0.25 -0.33 4.72 6.56 -1.07 -0.39 116.57 126.80 1uwt h LYS 374 Ca -0.03 -0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1uwt h LYS 374 Cb 1.32 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.91 1uwt h LYS 374 CO 0.14 0.16 0.21 1.88 -2.06 0.00 0.00 179.45 179.79 1uwt h TYR 375 N 0.25 0.40 -0.35 -1.35 0.05 -1.27 -1.85 116.97 112.85 1uwt h TYR 375 Ca 0.15 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.97 1uwt h TYR 375 Cb 0.13 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 1uwt h TYR 375 CO -0.14 0.25 0.15 2.35 -1.05 0.00 0.00 178.16 179.72 1uwt h TRP 376 N 0.43 0.27 0.00 4.88 2.91 -0.99 -1.72 115.95 121.74 1uwt h TRP 376 Ca 0.12 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.09 1uwt h TRP 376 Cb -0.04 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 1uwt h TRP 376 CO -0.06 0.13 -0.30 -0.91 -1.03 0.00 0.00 178.44 176.27 1uwt h ASN 377 N 0.32 0.00 0.17 2.65 2.35 -0.94 0.74 115.58 120.88 1uwt h ASN 377 Ca 0.15 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.64 1uwt h ASN 377 Cb 0.10 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.49 1uwt h ASN 377 CO -0.13 0.30 -1.24 -0.09 -1.65 0.00 0.00 177.43 174.63 1uwt h ARG 378 N 0.00 0.37 0.00 0.81 2.43 -0.84 -3.43 114.38 113.72 1uwt h ARG 378 Ca -0.00 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 1uwt h ARG 378 Cb 0.68 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1uwt h ARG 378 CO 0.04 1.30 -0.70 0.66 -1.51 0.00 0.00 179.97 179.76 1uwt n TYR 379 N -3.91 0.00 -3.33 2.20 4.01 -0.69 -5.02 117.16 110.42 1uwt n TYR 379 Ca -0.18 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.32 1uwt n TYR 379 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 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 -1.21 -1.83 -3.83 -0.72 8.25 0.25 -4.98 115.22 111.15 1uwt n HIS 380 Ca 0.00 0.49 -0.37 0.00 -0.26 0.00 0.00 57.72 57.58 1uwt n HIS 380 Cb 0.00 -3.22 -0.06 0.00 1.12 0.00 0.00 29.99 27.83 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 -6.54 4.36 0.62 2.41 1.43 -1.26 -5.08 118.68 114.62 1uwt s LEU 381 Ca 0.39 0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 53.76 1uwt s LEU 381 Cb -0.20 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1uwt s LEU 381 CO 0.48 0.36 1.21 -0.72 0.23 0.00 0.00 176.35 177.92 1uwt s TYR 382 N -0.77 2.32 0.20 0.29 -0.85 -1.26 -4.73 117.35 112.54 1uwt s TYR 382 Ca 0.14 1.52 0.04 0.00 -0.52 0.00 0.00 57.07 58.26 1uwt s TYR 382 Cb -0.12 -3.49 -0.05 0.00 0.38 0.00 0.00 41.96 38.68 1uwt s TYR 382 CO 0.03 -2.33 -0.05 0.00 -1.52 0.00 0.00 175.55 171.68 1uwt s MET 383 N -3.44 1.25 0.09 -3.49 0.23 0.17 -2.06 119.30 112.04 1uwt s MET 383 Ca 0.77 -1.60 0.09 0.00 -1.03 0.00 0.00 55.69 53.93 1uwt s MET 383 Cb -0.31 -0.68 -0.03 0.00 -1.53 0.00 0.00 34.83 32.28 1uwt s MET 383 CO 0.36 -0.01 -0.24 0.71 -2.03 0.00 0.00 175.02 173.81 1uwt s TYR 384 N -3.34 2.05 -0.57 3.16 2.02 -0.92 -1.02 117.35 118.73 1uwt s TYR 384 Ca 0.24 -0.40 -0.24 0.00 -0.37 0.00 0.00 57.07 56.30 1uwt s TYR 384 Cb 0.04 -1.16 0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1uwt s TYR 384 CO 0.06 0.21 0.97 0.08 -1.57 0.00 0.00 175.55 175.29 1uwt s VAL 385 N -0.99 4.34 -0.32 0.71 1.01 -0.49 -0.68 120.40 123.99 1uwt s VAL 385 Ca 0.10 0.24 0.23 0.00 0.00 0.00 0.00 61.98 62.55 1uwt s VAL 385 Cb -0.10 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.70 1uwt s VAL 385 CO 0.04 -1.19 1.07 0.35 0.00 0.00 0.00 175.10 175.37 1uwt n THR 386 N 6.19 0.54 -3.80 3.92 -2.24 0.65 -1.16 114.28 118.38 1uwt n THR 386 Ca 0.01 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1uwt n THR 386 Cb 0.47 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 1uwt n THR 386 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1uwt s GLU 387 N -3.33 0.28 -0.29 -0.78 2.02 -1.17 -4.49 118.70 110.94 1uwt s GLU 387 Ca 0.01 0.26 -0.16 0.00 0.02 0.00 0.00 54.97 55.10 1uwt s GLU 387 Cb 0.11 0.13 0.13 0.00 0.10 0.00 0.00 34.13 34.60 1uwt s GLU 387 CO 0.78 -0.04 0.89 1.21 0.02 0.00 0.00 175.26 178.12 1uwt s ASN 388 N 0.02 -0.66 0.00 -0.19 3.84 -1.22 -1.10 114.94 115.63 1uwt s ASN 388 Ca -0.01 1.03 0.00 0.00 0.21 0.00 0.00 52.86 54.09 1uwt s ASN 388 Cb -0.02 1.36 0.00 0.00 -0.55 0.00 0.00 41.25 42.04 1uwt s ASN 388 CO 0.00 -0.16 0.00 0.61 -2.79 0.00 0.00 177.10 174.77 1uwt n GLY 389 N 4.08 -1.27 3.25 1.21 0.00 -1.26 -1.00 105.19 110.20 1uwt n GLY 389 Ca -0.18 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.62 0.00 -0.41 -0.61 2.07 -1.26 -4.90 121.20 113.46 1uwt s ILE 390 Ca 0.00 -0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 58.92 1uwt s ILE 390 Cb 0.00 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.10 1uwt s ILE 390 CO 0.00 -0.02 1.14 0.00 -1.91 0.00 0.00 174.94 174.16 1uwt s ALA 391 N 0.08 3.27 -0.44 1.50 0.00 -1.26 -4.30 121.76 120.61 1uwt s ALA 391 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1uwt s ALA 391 Cb -0.03 -3.82 0.19 0.00 0.00 0.00 0.00 23.12 19.46 1uwt s ALA 391 CO 0.01 -2.00 0.82 0.34 0.00 0.00 0.00 175.76 174.93 1uwt s ASP 392 N 2.31 -1.11 0.29 0.00 2.15 -0.44 -1.35 116.67 118.52 1uwt s ASP 392 Ca 0.48 -1.10 -0.02 0.00 0.43 0.00 0.00 52.55 52.34 1uwt s ASP 392 Cb -0.10 1.45 0.42 0.00 -0.30 0.00 0.00 42.92 44.39 1uwt s ASP 392 CO 0.26 -0.06 1.92 -0.78 -0.17 0.00 0.00 175.17 176.34 1uwt h ASP 393 N 5.26 0.91 1.34 -0.34 3.58 -1.91 -2.89 116.42 122.36 1uwt h ASP 393 Ca 0.04 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1uwt h ASP 393 Cb 1.15 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1uwt h ASP 393 CO -0.01 0.73 0.00 0.00 -2.88 0.00 0.00 179.24 177.08 1uwt h ALA 394 N 1.43 1.00 -1.38 -0.78 0.00 -1.95 -3.47 119.26 114.11 1uwt h ALA 394 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 1uwt h ALA 394 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1uwt h ALA 394 CO -0.04 0.00 -0.34 -3.47 0.00 0.00 0.00 179.25 175.40 1uwt n ASP 395 N -2.84 -4.78 -0.06 0.00 2.03 -1.09 -4.95 116.55 104.85 1uwt n ASP 395 Ca 0.03 0.21 -0.11 0.00 0.52 0.00 0.00 54.79 55.44 1uwt n ASP 395 Cb 0.38 -3.76 -0.05 0.00 -0.72 0.00 0.00 41.12 36.97 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 0.35 0.00 -0.67 0.05 -1.91 -3.37 116.97 111.42 1uwt h TYR 396 Ca -0.34 -0.05 -0.29 0.00 0.05 0.00 0.00 58.73 58.10 1uwt h TYR 396 Cb 1.13 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.72 1uwt h TYR 396 CO 0.43 0.48 -2.17 1.04 -1.05 0.00 0.00 178.16 176.89 1uwt n GLN 397 N -4.74 0.67 -0.29 4.88 6.02 -1.26 -4.59 117.38 118.07 1uwt n GLN 397 Ca -0.04 0.02 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1uwt n GLN 397 Cb 0.19 -1.58 0.22 0.00 1.02 0.00 0.00 30.24 30.09 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 0.62 -0.84 -1.09 2.43 -1.93 -0.35 114.38 113.23 1uwt h ARG 398 Ca -0.41 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 58.87 1uwt h ARG 398 Cb 1.99 -0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 31.30 1uwt h ARG 398 CO 0.03 0.41 0.42 -1.35 -1.51 0.00 0.00 179.97 177.98 1uwt h PRO 399 N 0.64 0.60 -0.20 0.20 0.11 -1.81 0.14 132.00 131.68 1uwt h PRO 399 Ca 0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 1uwt h PRO 399 Cb 0.61 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1uwt h PRO 399 CO -0.35 0.39 -0.26 1.88 -0.21 0.00 0.00 178.00 179.45 1uwt h TYR 400 N 0.61 0.65 -0.08 0.65 0.05 -1.47 -2.50 116.97 114.88 1uwt h TYR 400 Ca 0.45 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 1uwt h TYR 400 Cb 0.63 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 1uwt h TYR 400 CO -0.10 0.91 0.05 -0.92 -1.05 0.00 0.00 178.16 177.05 1uwt h TYR 401 N 0.20 0.10 0.67 4.88 5.03 -0.44 0.65 116.97 128.06 1uwt h TYR 401 Ca 0.02 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.30 1uwt h TYR 401 Cb 0.83 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.09 1uwt h TYR 401 CO 0.08 0.11 -0.33 1.25 -1.32 0.00 0.00 178.16 177.95 1uwt h LEU 402 N 0.06 -0.79 -0.72 2.82 5.85 -0.81 -1.80 115.31 119.92 1uwt h LEU 402 Ca 0.03 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1uwt h LEU 402 Cb 0.04 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1uwt h LEU 402 CO -0.01 -0.55 0.45 0.58 -0.34 0.00 0.00 178.44 178.57 1uwt h VAL 403 N -0.91 1.20 -0.53 1.05 2.07 -1.40 -0.98 116.25 116.75 1uwt h VAL 403 Ca -0.09 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1uwt h VAL 403 Cb 0.70 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1uwt h VAL 403 CO 0.14 0.20 0.23 0.28 0.02 0.00 0.00 177.57 178.44 1uwt h SER 404 N 0.99 0.73 0.04 0.57 0.02 -0.81 -1.11 113.55 113.97 1uwt h SER 404 Ca 0.26 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 1uwt h SER 404 Cb -0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1uwt h SER 404 CO -0.05 0.68 -0.54 0.45 -1.14 0.00 0.00 176.83 176.23 1uwt h HIS 405 N 0.72 0.67 -0.70 3.45 -0.00 -1.08 -2.21 115.15 115.99 1uwt h HIS 405 Ca 0.18 -0.23 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1uwt h HIS 405 Cb 0.17 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 1uwt h HIS 405 CO 0.00 0.95 0.30 0.28 -0.00 0.00 0.00 177.93 179.47 1uwt h VAL 406 N 0.41 1.24 -0.55 2.45 2.07 -0.95 -2.22 116.25 118.71 1uwt h VAL 406 Ca 0.01 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1uwt h VAL 406 Cb 1.07 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1uwt h VAL 406 CO 0.10 0.29 0.26 0.22 0.02 0.00 0.00 177.57 178.46 1uwt h TYR 407 N 0.99 0.47 0.00 1.57 3.20 -1.03 -1.47 116.97 120.70 1uwt h TYR 407 Ca 0.24 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1uwt h TYR 407 Cb 0.17 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1uwt h TYR 407 CO 0.01 0.20 -0.08 1.96 -1.64 0.00 0.00 178.16 178.61 1uwt h GLN 408 N 0.49 0.00 -0.14 1.82 1.08 -0.81 -0.43 115.11 117.12 1uwt h GLN 408 Ca 0.25 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.24 1uwt h GLN 408 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1uwt h GLN 408 CO -0.20 0.08 -0.75 0.28 -0.95 0.00 0.00 178.83 177.29 1uwt h VAL 409 N 0.00 1.31 -0.75 -0.54 2.07 -0.86 -1.09 116.25 116.39 1uwt h VAL 409 Ca -0.00 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 65.53 1uwt h VAL 409 Cb 0.20 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1uwt h VAL 409 CO 0.01 0.63 0.49 -0.74 0.02 0.00 0.00 177.57 177.98 1uwt h HIS 410 N 0.47 0.93 -0.09 1.57 -0.00 -0.55 -1.30 115.15 116.19 1uwt h HIS 410 Ca -0.04 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1uwt h HIS 410 Cb 1.36 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 1uwt h HIS 410 CO 0.07 0.58 0.03 0.00 -0.00 0.00 0.00 177.93 178.62 1uwt h ARG 411 N 1.00 0.08 -0.57 5.26 3.08 -1.00 -0.89 114.38 121.33 1uwt h ARG 411 Ca 0.28 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.37 1uwt h ARG 411 Cb -0.10 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 1uwt h ARG 411 CO -0.07 0.05 0.30 0.00 -1.07 0.00 0.00 179.97 179.19 1uwt h ALA 412 N 1.05 0.75 0.20 0.04 0.00 -0.93 -1.36 119.26 119.01 1uwt h ALA 412 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1uwt h ALA 412 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1uwt h ALA 412 CO -0.03 -0.04 -0.10 0.82 0.00 0.00 0.00 179.25 179.91 1uwt h ILE 413 N 0.57 0.83 -1.07 0.00 2.04 -1.02 -2.06 117.51 116.81 1uwt h ILE 413 Ca 0.26 -0.15 0.33 0.00 1.00 0.00 0.00 64.86 66.30 1uwt h ILE 413 Cb 0.16 0.92 -0.14 0.00 -0.74 0.00 0.00 36.82 37.02 1uwt h ILE 413 CO -0.17 0.03 0.64 -1.13 0.00 0.00 0.00 178.15 177.52 1uwt h ASN 414 N -0.34 0.46 -0.01 1.72 -0.73 -0.90 0.67 115.58 116.45 1uwt h ASN 414 Ca -0.03 0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1uwt h ASN 414 Cb 0.27 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1uwt h ASN 414 CO 0.05 -0.10 0.00 -1.20 -0.37 0.00 0.00 177.43 175.80 1uwt n SER 415 N -4.92 0.10 0.00 1.15 7.64 -0.53 -4.88 113.62 112.18 1uwt n SER 415 Ca 0.32 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1uwt n SER 415 Cb 1.04 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 1uwt n SER 415 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwt n GLY 416 N 0.85 0.70 3.73 0.23 0.00 0.23 -5.08 105.19 105.85 1uwt n GLY 416 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.40 -0.73 4.61 0.00 -0.82 -4.97 121.76 121.24 1uwt s ALA 417 Ca 0.00 0.87 -0.25 0.00 0.00 0.00 0.00 51.96 52.58 1uwt s ALA 417 Cb 0.00 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.78 1uwt s ALA 417 CO 0.00 -0.30 1.16 0.34 0.00 0.00 0.00 175.76 176.96 1uwt s ASP 418 N 0.12 6.20 -0.09 0.00 -1.08 -1.26 -4.18 116.67 116.38 1uwt s ASP 418 Ca 0.52 -0.76 0.01 0.00 -0.52 0.00 0.00 52.55 51.80 1uwt s ASP 418 Cb -0.31 -2.50 0.02 0.00 -1.46 0.00 0.00 42.92 38.67 1uwt s ASP 418 CO 0.35 -1.65 -0.11 -0.69 0.52 0.00 0.00 175.17 173.59 1uwt s VAL 419 N 4.97 1.16 -0.64 1.11 1.01 -1.26 -0.65 120.40 126.10 1uwt s VAL 419 Ca 0.31 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1uwt s VAL 419 Cb -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1uwt s VAL 419 CO 0.11 0.37 0.56 0.54 0.00 0.00 0.00 175.10 176.69 1uwt n ARG 420 N 4.20 1.47 -3.69 2.72 1.74 -0.19 -4.97 116.66 117.94 1uwt n ARG 420 Ca -0.19 -0.62 -0.02 0.00 -0.77 0.00 0.00 57.85 56.25 1uwt n ARG 420 Cb 0.51 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.92 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 -0.83 -0.30 -0.06 -0.13 0.00 -1.26 -2.02 107.32 102.72 1uwt s GLY 421 Ca 0.06 0.39 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 1uwt s GLY 421 CO 0.13 0.07 -0.01 -0.47 0.00 0.00 0.00 173.10 172.82 1uwt s TYR 422 N -3.00 0.64 -0.22 1.90 6.14 -0.35 -1.39 117.35 121.07 1uwt s TYR 422 Ca 0.12 -0.16 0.01 0.00 0.64 0.00 0.00 57.07 57.69 1uwt s TYR 422 Cb 0.00 -0.72 0.05 0.00 0.42 0.00 0.00 41.96 41.72 1uwt s TYR 422 CO -0.00 -0.27 -0.09 -0.51 0.64 0.00 0.00 175.55 175.31 1uwt s LEU 423 N 1.60 2.66 0.30 6.97 1.02 -0.31 -0.33 118.68 130.59 1uwt s LEU 423 Ca -0.01 -1.09 -0.29 0.00 0.02 0.00 0.00 54.13 52.76 1uwt s LEU 423 Cb -0.13 -1.31 -0.09 0.00 0.02 0.00 0.00 46.19 44.68 1uwt s LEU 423 CO -0.04 -0.18 1.10 -2.28 0.02 0.00 0.00 176.35 174.98 1uwt s HIS 424 N 1.31 3.51 -0.40 0.29 2.46 -0.53 -3.39 115.29 118.55 1uwt s HIS 424 Ca -0.04 1.68 -0.15 0.00 0.47 0.00 0.00 55.06 57.02 1uwt s HIS 424 Cb -0.18 -3.28 0.01 0.00 -0.13 0.00 0.00 32.58 29.00 1uwt s HIS 424 CO -0.07 -0.62 0.32 -0.46 -2.47 0.00 0.00 174.74 171.45 1uwt s TRP 425 N -1.23 3.22 0.30 3.88 -0.11 -0.17 -1.94 118.94 122.89 1uwt s TRP 425 Ca 0.47 -0.45 0.07 0.00 1.22 0.00 0.00 56.10 57.41 1uwt s TRP 425 Cb -0.31 -2.64 -0.03 0.00 -1.50 0.00 0.00 33.47 28.99 1uwt s TRP 425 CO 0.40 -0.57 0.24 0.45 -4.62 0.00 0.00 176.95 172.85 1uwt n SER 426 N 5.26 -0.53 -0.01 5.86 2.88 -0.73 -4.13 113.62 122.22 1uwt n SER 426 Ca -0.10 -2.95 -0.11 0.00 -1.33 0.00 0.00 58.87 54.37 1uwt n SER 426 Cb 0.48 1.46 -0.05 0.00 -0.75 0.00 0.00 64.21 65.34 1uwt n SER 426 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1uwt h LEU 427 N 0.00 0.13 -8.76 2.46 5.85 -1.75 -1.68 115.31 111.56 1uwt h LEU 427 Ca -0.21 -0.06 -0.34 0.00 0.84 0.00 0.00 57.88 58.11 1uwt h LEU 427 Cb 1.07 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.92 1uwt h LEU 427 CO 0.31 0.15 -0.67 0.00 -0.34 0.00 0.00 178.44 177.89 1uwt s ALA 428 N -5.98 1.59 0.73 1.25 0.00 -1.26 -0.02 121.76 118.08 1uwt s ALA 428 Ca -0.13 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.03 1uwt s ALA 428 Cb 0.07 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.63 1uwt s ALA 428 CO 0.68 -0.23 1.22 -0.51 0.00 0.00 0.00 175.76 176.92 1uwt s ASP 429 N -3.23 4.14 0.30 0.00 1.01 -0.90 -4.21 116.67 113.78 1uwt s ASP 429 Ca 0.24 2.41 -0.10 0.00 0.71 0.00 0.00 52.55 55.81 1uwt s ASP 429 Cb 0.05 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.43 1uwt s ASP 429 CO 0.05 -2.30 0.58 -0.46 0.21 0.00 0.00 175.17 173.26 1uwt n ASN 430 N -2.68 -1.69 -4.60 0.27 0.23 -1.26 -4.76 115.26 100.76 1uwt n ASN 430 Ca 0.14 -2.25 -0.43 0.00 -0.53 0.00 0.00 54.58 51.51 1uwt n ASN 430 Cb 0.50 2.84 -0.02 0.00 -2.08 0.00 0.00 39.78 41.02 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 -3.72 2.76 -1.26 -2.53 5.04 -0.64 -4.66 117.35 112.34 1uwt s TYR 431 Ca 0.13 0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 55.40 1uwt s TYR 431 Cb -0.03 -4.43 0.18 0.00 0.35 0.00 0.00 41.96 38.03 1uwt s TYR 431 CO 0.10 -1.37 1.94 -1.91 -1.34 0.00 0.00 175.55 172.97 1uwt n GLU 432 N 7.88 4.01 0.00 4.97 4.07 -0.26 -4.62 120.64 136.70 1uwt n GLU 432 Ca 0.13 -3.68 0.00 0.00 -0.06 0.00 0.00 57.16 53.55 1uwt n GLU 432 Cb 0.49 -2.79 0.00 0.00 -0.06 0.00 0.00 31.44 29.08 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 2.91 0.00 0.30 4.31 7.02 -1.26 -0.98 117.44 129.74 1uwt n TRP 433 Ca 0.43 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 57.09 1uwt n TRP 433 Cb 0.33 0.01 0.98 0.00 -2.42 0.00 0.00 31.31 30.20 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 -0.56 1.26 0.00 6.99 0.00 -1.84 -2.03 119.26 123.08 1uwt h ALA 434 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uwt h ALA 434 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uwt h ALA 434 CO 0.00 0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.05 1uwt h SER 435 N 0.00 0.00 0.00 0.00 0.02 -1.40 -0.83 113.55 111.34 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 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1uwt h SER 435 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1uwt n GLY 436 N 1.14 -1.26 0.10 -3.77 0.00 -0.77 -4.09 105.19 96.54 1uwt n GLY 436 Ca 0.04 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 0.72 0.27 1.61 3.72 -1.26 -1.10 117.46 121.41 1uwt n PHE 437 Ca 0.00 0.24 0.14 0.00 -0.05 0.00 0.00 57.45 57.78 1uwt n PHE 437 Cb 0.00 -0.89 0.79 0.00 -0.94 0.00 0.00 39.48 38.43 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 -3.29 4.37 4.64 -1.91 -3.39 113.55 113.98 1uwt h SER 438 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1uwt h SER 438 Cb 0.52 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.44 1uwt h SER 438 CO 0.00 0.09 0.16 -0.04 -0.87 0.00 0.00 176.83 176.16 1uwt s MET 439 N -4.20 3.18 -0.36 4.77 -1.94 -1.26 -4.91 119.30 114.60 1uwt s MET 439 Ca -0.03 -0.70 -0.08 0.00 -1.71 0.00 0.00 55.69 53.18 1uwt s MET 439 Cb 0.13 -4.07 0.04 0.00 2.01 0.00 0.00 34.83 32.94 1uwt s MET 439 CO 0.56 -1.24 0.15 1.03 -0.01 0.00 0.00 175.02 175.51 1uwt s ARG 440 N 2.91 2.66 0.00 2.03 0.52 -1.26 -4.68 118.95 121.13 1uwt s ARG 440 Ca 0.19 -1.19 0.21 0.00 -0.52 0.00 0.00 55.73 54.42 1uwt s ARG 440 Cb -0.17 -3.56 0.29 0.00 0.52 0.00 0.00 34.95 32.03 1uwt s ARG 440 CO 0.14 -0.71 1.26 1.19 0.02 0.00 0.00 175.30 177.21 1uwt n PHE 441 N 4.87 0.27 -2.53 -0.53 3.01 -1.26 -1.33 117.46 119.95 1uwt n PHE 441 Ca -0.12 -0.15 -0.40 0.00 1.01 0.00 0.00 57.45 57.79 1uwt n PHE 441 Cb 0.45 -0.00 -0.05 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 -1.53 3.06 0.39 1.37 0.00 -1.26 -1.77 107.32 107.59 1uwt s GLY 442 Ca 0.30 0.84 0.07 0.00 0.00 0.00 0.00 44.72 45.93 1uwt s GLY 442 CO 0.27 1.43 2.01 1.41 0.00 0.00 0.00 173.10 178.22 1uwt h LEU 443 N 3.82 0.56 -9.11 0.66 3.38 -0.92 -3.42 115.31 110.28 1uwt h LEU 443 Ca -0.46 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 56.84 1uwt h LEU 443 Cb 1.21 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 1uwt h LEU 443 CO 0.67 0.38 -0.64 -0.76 0.09 0.00 0.00 178.44 178.18 1uwt s LEU 444 N -9.57 3.44 0.08 1.67 1.43 0.97 -2.31 118.68 114.39 1uwt s LEU 444 Ca -0.09 0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 1uwt s LEU 444 Cb 0.18 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.54 1uwt s LEU 444 CO 0.75 0.30 0.72 -0.75 0.23 0.00 0.00 176.35 177.60 1uwt s LYS 445 N -0.39 4.46 -0.20 1.70 2.20 0.40 -2.11 119.74 125.79 1uwt s LYS 445 Ca 0.07 1.01 -0.08 0.00 -0.36 0.00 0.00 55.97 56.61 1uwt s LYS 445 Cb -0.12 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 1uwt s LYS 445 CO 0.02 0.43 0.08 0.08 -0.36 0.00 0.00 175.35 175.61 1uwt s VAL 446 N -0.57 4.86 -0.44 4.02 1.01 -1.26 -0.80 120.40 127.22 1uwt s VAL 446 Ca 0.35 -0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1uwt s VAL 446 Cb -0.21 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1uwt s VAL 446 CO 0.23 0.42 0.76 -0.62 0.00 0.00 0.00 175.10 175.89 1uwt s ASP 447 N 0.65 6.40 0.12 3.32 -1.08 -0.62 -4.94 116.67 120.52 1uwt s ASP 447 Ca 0.04 -0.14 0.21 0.00 -0.52 0.00 0.00 52.55 52.14 1uwt s ASP 447 Cb -0.13 -2.37 0.84 0.00 -1.46 0.00 0.00 42.92 39.80 1uwt s ASP 447 CO 0.01 -0.88 1.64 -1.22 0.52 0.00 0.00 175.17 175.24 1uwt n TYR 448 N 6.62 0.40 0.02 -5.34 4.01 -1.26 0.56 117.16 122.17 1uwt n TYR 448 Ca 0.02 0.15 -0.18 0.00 -0.16 0.00 0.00 57.90 57.72 1uwt n TYR 448 Cb 0.48 -0.74 -0.13 0.00 -0.31 0.00 0.00 39.34 38.64 1uwt n TYR 448 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1uwt h ASN 449 N 0.00 0.44 0.00 7.72 -0.26 -1.92 -3.38 115.58 118.18 1uwt h ASN 449 Ca 0.00 -0.88 0.00 0.00 -0.56 0.00 0.00 56.30 54.86 1uwt h ASN 449 Cb 0.37 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1uwt h ASN 449 CO 0.00 1.28 -1.30 0.35 -1.06 0.00 0.00 177.43 176.70 1uwt n THR 450 N -4.21 0.00 -0.97 2.81 -2.24 -1.14 -4.98 114.28 103.55 1uwt n THR 450 Ca -0.12 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1uwt n THR 450 Cb 0.73 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.76 -0.81 -2.13 -0.78 4.76 0.19 -5.01 118.16 112.63 1uwt n LYS 451 Ca 0.00 0.20 -0.38 0.00 -2.87 0.00 0.00 58.31 55.26 1uwt n LYS 451 Cb 0.37 -3.86 -0.00 0.00 -1.84 0.00 0.00 35.03 29.69 1uwt n LYS 451 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1uwt s ARG 452 N -0.87 3.82 -0.07 1.97 0.52 -1.23 -4.80 118.95 118.30 1uwt s ARG 452 Ca 0.00 1.99 -0.02 0.00 -0.52 0.00 0.00 55.73 57.18 1uwt s ARG 452 Cb 0.00 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 1uwt s ARG 452 CO 0.00 -0.56 0.02 -0.51 0.02 0.00 0.00 175.30 174.27 1uwt s LEU 453 N -2.76 3.65 0.00 2.53 1.43 -1.26 -1.58 118.68 120.70 1uwt s LEU 453 Ca 0.61 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 1uwt s LEU 453 Cb -0.34 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1uwt s LEU 453 CO 0.42 0.36 -0.14 -0.31 0.23 0.00 0.00 176.35 176.91 1uwt s TYR 454 N -0.94 1.27 -0.43 0.29 1.51 0.02 -4.94 117.35 114.13 1uwt s TYR 454 Ca 0.15 -0.27 -0.27 0.00 -1.01 0.00 0.00 57.07 55.67 1uwt s TYR 454 Cb -0.11 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1uwt s TYR 454 CO 0.04 -0.00 0.99 -1.58 -1.11 0.00 0.00 175.55 173.88 1uwt s TRP 455 N -0.47 2.96 0.62 2.71 0.52 -1.26 -0.45 118.94 123.56 1uwt s TRP 455 Ca 0.05 0.63 -0.16 0.00 0.02 0.00 0.00 56.10 56.64 1uwt s TRP 455 Cb -0.06 -3.97 -0.02 0.00 -1.15 0.00 0.00 33.47 28.27 1uwt s TRP 455 CO -0.00 -1.04 1.09 1.03 0.02 0.00 0.00 176.95 178.05 1uwt s ARG 456 N 3.83 3.06 0.44 4.98 0.52 -0.98 -4.91 118.95 125.90 1uwt s ARG 456 Ca 0.40 1.33 0.18 0.00 -0.52 0.00 0.00 55.73 57.12 1uwt s ARG 456 Cb -0.10 -1.99 1.12 0.00 0.52 0.00 0.00 34.95 34.50 1uwt s ARG 456 CO 0.25 -1.03 1.91 -1.35 0.02 0.00 0.00 175.30 175.09 1uwt h PRO 457 N 0.30 0.34 -0.51 3.54 0.11 -1.93 0.11 132.00 133.97 1uwt h PRO 457 Ca -0.47 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.77 1uwt h PRO 457 Cb 1.24 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1uwt h PRO 457 CO 0.56 0.23 0.37 0.77 -0.21 0.00 0.00 178.00 179.71 1uwt h SER 458 N 0.35 0.00 -0.45 -2.05 0.02 -1.89 -1.16 113.55 108.37 1uwt h SER 458 Ca 0.39 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.20 1uwt h SER 458 Cb 1.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1uwt h SER 458 CO -0.12 0.00 -0.27 0.00 -1.14 0.00 0.00 176.83 175.31 1uwt h ALA 459 N 1.74 0.64 -0.78 3.77 0.00 -0.94 0.13 119.26 123.82 1uwt h ALA 459 Ca 0.24 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1uwt h ALA 459 Cb 0.97 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1uwt h ALA 459 CO -0.00 0.67 0.37 -0.07 0.00 0.00 0.00 179.25 180.21 1uwt h LEU 460 N 0.83 1.02 -0.30 0.00 3.38 -1.25 -0.27 115.31 118.72 1uwt h LEU 460 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1uwt h LEU 460 Cb 0.85 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1uwt h LEU 460 CO 0.08 0.86 0.15 0.58 0.09 0.00 0.00 178.44 180.20 1uwt h VAL 461 N 1.11 1.15 -0.73 1.22 2.07 -1.14 -2.26 116.25 117.67 1uwt h VAL 461 Ca 0.27 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1uwt h VAL 461 Cb 0.12 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1uwt h VAL 461 CO -0.03 0.15 0.40 0.22 0.02 0.00 0.00 177.57 178.33 1uwt h TYR 462 N 0.35 0.98 -0.62 1.57 3.20 -0.42 -1.66 116.97 120.37 1uwt h TYR 462 Ca 0.10 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1uwt h TYR 462 Cb 0.10 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1uwt h TYR 462 CO -0.02 0.68 0.22 -0.09 -1.64 0.00 0.00 178.16 177.31 1uwt h ARG 463 N 1.02 0.92 -0.24 1.82 2.43 -0.82 0.22 114.38 119.73 1uwt h ARG 463 Ca 0.26 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1uwt h ARG 463 Cb 0.02 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1uwt h ARG 463 CO -0.04 0.77 0.06 0.93 -1.51 0.00 0.00 179.97 180.19 1uwt h GLU 464 N 0.90 0.16 0.16 0.20 4.39 -0.73 -0.85 114.58 118.81 1uwt h GLU 464 Ca 0.21 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1uwt h GLU 464 Cb 0.22 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1uwt h GLU 464 CO -0.01 0.11 -0.19 0.82 -1.16 0.00 0.00 179.01 178.58 1uwt h ILE 465 N 0.17 0.58 -0.12 3.13 2.04 -0.78 -2.81 117.51 119.72 1uwt h ILE 465 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 1uwt h ILE 465 Cb 0.09 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1uwt h ILE 465 CO -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 177.91 1uwt h ALA 466 N 0.40 0.17 -0.06 1.87 0.00 -0.82 0.25 119.26 121.08 1uwt h ALA 466 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1uwt h ALA 466 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1uwt h ALA 466 CO -0.07 0.02 -0.09 1.79 0.00 0.00 0.00 179.25 180.90 1uwt h THR 467 N -0.11 1.10 0.00 0.00 1.35 -1.25 -2.82 112.91 111.18 1uwt h THR 467 Ca 0.02 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1uwt h THR 467 Cb 0.63 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1uwt h THR 467 CO 0.03 0.13 -1.14 0.59 -0.25 0.00 0.00 175.52 174.88 1uwt n ASN 468 N -4.39 0.58 -2.07 5.36 3.02 -1.06 -4.96 115.26 111.74 1uwt n ASN 468 Ca -0.02 -0.07 -0.16 0.00 -0.03 0.00 0.00 54.58 54.31 1uwt n ASN 468 Cb 0.19 0.87 0.02 0.00 -0.61 0.00 0.00 39.78 40.24 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 1.31 -0.19 3.56 7.41 0.00 0.83 -4.94 105.19 113.18 1uwt n GLY 469 Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.93 -1.88 -0.43 4.61 0.00 -0.80 -1.21 121.76 119.13 1uwt s ALA 470 Ca 0.16 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 1uwt s ALA 470 Cb -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1uwt s ALA 470 CO 0.20 -0.33 1.33 0.42 0.00 0.00 0.00 175.76 177.38 1uwt s ILE 471 N -1.03 4.00 0.75 0.00 1.01 -0.16 -4.14 121.20 121.64 1uwt s ILE 471 Ca -0.05 1.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.52 1uwt s ILE 471 Cb -0.01 -4.32 0.04 0.00 0.01 0.00 0.00 42.46 38.19 1uwt s ILE 471 CO 0.04 -0.82 1.08 0.42 0.00 0.00 0.00 174.94 175.66 1uwt s THR 472 N 5.12 3.53 0.37 2.92 -4.23 -1.26 -1.23 115.64 120.85 1uwt s THR 472 Ca 0.57 0.50 0.09 0.00 -1.18 0.00 0.00 61.69 61.67 1uwt s THR 472 Cb -0.12 -3.14 0.32 0.00 1.34 0.00 0.00 72.50 70.90 1uwt s THR 472 CO 0.32 -0.65 1.91 0.44 -0.54 0.00 0.00 174.62 176.10 1uwt h ASP 473 N -0.98 0.61 0.73 3.99 3.32 -1.95 -2.67 116.42 119.47 1uwt h ASP 473 Ca -0.45 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1uwt h ASP 473 Cb 1.23 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1uwt h ASP 473 CO 0.55 0.34 -0.00 1.05 -1.72 0.00 0.00 179.24 179.46 1uwt h GLU 474 N 0.66 0.00 -0.03 3.56 9.09 -2.02 -3.04 114.58 122.80 1uwt h GLU 474 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1uwt h GLU 474 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1uwt h GLU 474 CO -0.15 0.00 0.00 0.44 0.05 0.00 0.00 179.01 179.35 1uwt n ILE 475 N -3.09 0.87 0.30 -1.06 -5.35 -1.03 -4.72 119.36 105.28 1uwt n ILE 475 Ca -0.00 -0.93 0.19 0.00 -0.27 0.00 0.00 62.75 61.73 1uwt n ILE 475 Cb 0.24 0.57 0.91 0.00 -1.74 0.00 0.00 39.64 39.62 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 0.21 0.00 0.00 6.28 4.81 -1.39 -1.48 114.58 123.02 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 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1uwt h GLU 476 CO 0.00 0.02 0.00 1.12 -0.73 0.00 0.00 179.01 179.42 1uwt h HIS 477 N 0.00 0.00 0.00 0.92 2.07 -1.84 -1.97 115.15 114.33 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 0.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.26 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 -3.03 0.00 -3.55 6.12 4.77 -0.56 -3.94 117.00 116.82 1uwt n LEU 478 Ca 0.00 0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.94 1uwt n LEU 478 Cb 0.26 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1uwt n LEU 478 CO 0.25 -0.13 2.79 -3.20 -1.33 0.00 0.00 177.39 175.77 1uwt n ASN 479 N -1.36 5.17 -3.59 -1.43 5.15 -0.74 -3.94 115.26 114.52 1uwt n ASN 479 Ca 0.07 -2.70 -0.07 0.00 -0.60 0.00 0.00 54.58 51.29 1uwt n ASN 479 Cb 0.17 -1.51 -0.01 0.00 -0.53 0.00 0.00 39.78 37.91 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 3.16 -0.18 0.02 1.20 1.04 -1.25 -4.94 113.70 112.75 1uwt s SER 480 Ca 0.54 -0.73 -0.27 0.00 0.48 0.00 0.00 55.95 55.97 1uwt s SER 480 Cb 0.15 0.73 -0.05 0.00 0.10 0.00 0.00 66.02 66.96 1uwt s SER 480 CO -0.05 -1.39 0.83 -0.69 0.98 0.00 0.00 173.24 172.92 1uwt s VAL 481 N -3.39 4.80 0.16 5.02 1.01 -1.26 -4.76 120.40 121.97 1uwt s VAL 481 Ca 0.13 1.75 -0.34 0.00 0.00 0.00 0.00 61.98 63.52 1uwt s VAL 481 Cb -0.05 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 1uwt s VAL 481 CO 0.08 0.28 1.47 -2.65 0.00 0.00 0.00 175.10 174.28 1uwt n PRO 482 N 3.27 1.83 -1.67 2.72 -0.02 -1.26 -4.84 135.00 135.03 1uwt n PRO 482 Ca 0.01 0.66 -0.47 0.00 -2.02 0.00 0.00 63.50 61.67 1uwt n PRO 482 Cb 0.50 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 1uwt n PRO 482 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uwt n PRO 483 N 2.88 2.10 0.08 0.52 -0.02 -1.26 -4.82 135.00 134.48 1uwt n PRO 483 Ca 0.16 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 62.38 1uwt n PRO 483 Cb 0.27 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 1uwt n PRO 483 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1uwt h VAL 484 N 4.09 1.14 -0.59 -1.45 -1.51 -1.93 -3.38 116.25 112.62 1uwt h VAL 484 Ca -0.46 -2.71 0.10 0.00 -1.23 0.00 0.00 66.70 62.41 1uwt h VAL 484 Cb 1.26 2.53 -0.08 0.00 -2.13 0.00 0.00 31.29 32.88 1uwt h VAL 484 CO 0.90 0.65 0.16 0.50 -1.23 0.00 0.00 177.57 178.55 1uwt h LYS 485 N 0.00 0.30 -0.00 5.19 3.64 -1.98 -1.79 116.57 121.93 1uwt h LYS 485 Ca -0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1uwt h LYS 485 Cb 1.63 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1uwt h LYS 485 CO 0.09 0.20 -0.02 -2.30 -2.27 0.00 0.00 179.45 175.15 1uwt n PRO 486 N -5.08 0.43 -2.92 1.90 -0.02 -1.26 -4.88 135.00 123.16 1uwt n PRO 486 Ca 0.08 -0.03 -0.23 0.00 -2.02 0.00 0.00 63.50 61.31 1uwt n PRO 486 Cb 0.30 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 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 -2.59 3.58 0.38 2.45 1.43 -0.67 -5.06 118.68 118.19 1uwt s LEU 487 Ca 0.28 0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 53.32 1uwt s LEU 487 Cb 0.20 -3.10 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 1uwt s LEU 487 CO 0.47 -0.78 1.42 -0.60 0.23 0.00 0.00 176.35 177.09 1uwt s ARG 488 N -4.59 4.08 0.00 1.70 3.52 -1.26 -5.02 118.95 117.38 1uwt s ARG 488 Ca 0.50 2.43 0.12 0.00 -0.13 0.00 0.00 55.73 58.65 1uwt s ARG 488 Cb -0.10 -2.92 0.09 0.00 -1.56 0.00 0.00 34.95 30.46 1uwt s ARG 488 CO 0.38 -0.50 0.87 0.72 -0.81 0.00 0.00 175.30 175.96