#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuj s SER 20 N 0.00 1.17 0.33 -3.46 1.04 -1.26 -5.02 113.70 106.49 1wuj s SER 20 Ca 0.00 0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.16 1wuj s SER 20 Cb 0.00 0.28 -0.11 0.00 0.10 0.00 0.00 66.02 66.30 1wuj s SER 20 CO 0.00 -0.29 1.41 -0.47 0.98 0.00 0.00 173.24 174.87 1wuj s TYR 21 N 2.30 2.87 -0.03 5.02 5.04 -1.26 -4.13 117.35 127.15 1wuj s TYR 21 Ca 0.04 1.21 0.05 0.00 -2.44 0.00 0.00 57.07 55.94 1wuj s TYR 21 Cb -0.14 -3.85 -0.01 0.00 0.35 0.00 0.00 41.96 38.31 1wuj s TYR 21 CO -0.09 -2.52 -0.19 -1.12 -1.34 0.00 0.00 175.55 170.28 1wuj s SER 22 N -0.13 2.36 0.00 4.32 0.01 -1.26 -0.18 113.70 118.82 1wuj s SER 22 Ca 0.53 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1wuj s SER 22 Cb -0.43 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1wuj s SER 22 CO 0.54 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.01 1wuj n GLY 23 N 2.85 1.01 3.84 3.44 0.00 0.34 -4.97 105.19 111.70 1wuj n GLY 23 Ca -0.17 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1wuj n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wuj s PRO 24 N -1.28 3.63 -0.02 1.61 0.04 -1.26 -0.09 135.00 137.63 1wuj s PRO 24 Ca 0.00 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.01 1wuj s PRO 24 Cb 0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1wuj s PRO 24 CO 0.00 -0.54 -0.05 0.42 0.04 0.00 0.00 177.00 176.87 1wuj s ILE 25 N -2.77 0.50 -0.07 0.56 1.01 -0.40 -4.90 121.20 115.14 1wuj s ILE 25 Ca 0.59 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.10 1wuj s ILE 25 Cb -0.12 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1wuj s ILE 25 CO 0.40 0.18 -0.21 -0.69 0.00 0.00 0.00 174.94 174.62 1wuj s VAL 26 N 0.41 2.41 -0.30 2.92 1.01 -1.26 -1.13 120.40 124.46 1wuj s VAL 26 Ca -0.05 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1wuj s VAL 26 Cb -0.09 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.46 1wuj s VAL 26 CO -0.00 0.57 -0.01 -0.69 0.00 0.00 0.00 175.10 174.97 1wuj s VAL 27 N -0.16 1.98 -0.28 2.92 1.01 0.20 -5.00 120.40 121.07 1wuj s VAL 27 Ca -0.03 -1.87 0.01 0.00 0.00 0.00 0.00 61.98 60.10 1wuj s VAL 27 Cb -0.14 -2.32 0.17 0.00 0.00 0.00 0.00 36.38 34.09 1wuj s VAL 27 CO 0.04 -0.36 0.47 -0.62 0.00 0.00 0.00 175.10 174.62 1wuj s ASP 28 N 1.11 -0.37 0.32 3.32 3.68 -1.26 -1.25 116.67 122.22 1wuj s ASP 28 Ca 0.02 0.11 -0.24 0.00 2.13 0.00 0.00 52.55 54.58 1wuj s ASP 28 Cb -0.19 1.48 -0.10 0.00 -1.45 0.00 0.00 42.92 42.67 1wuj s ASP 28 CO -0.09 -0.31 0.90 -2.16 0.13 0.00 0.00 175.17 173.64 1wuj s PRO 29 N 2.66 4.46 -0.32 4.34 0.04 -1.26 -5.08 135.00 139.83 1wuj s PRO 29 Ca 0.13 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1wuj s PRO 29 Cb -0.13 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1wuj s PRO 29 CO -0.24 0.25 1.33 0.08 0.04 0.00 0.00 177.00 178.46 1wuj s VAL 30 N -1.70 4.08 0.66 -0.36 1.01 -0.29 -5.02 120.40 118.78 1wuj s VAL 30 Ca 0.51 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 1wuj s VAL 30 Cb -0.17 -4.16 0.09 0.00 0.00 0.00 0.00 36.38 32.14 1wuj s VAL 30 CO 0.21 -0.54 0.92 0.42 0.00 0.00 0.00 175.10 176.12 1wuj s THR 31 N 4.61 2.34 -1.41 3.92 -4.23 -1.26 -4.47 115.64 115.14 1wuj s THR 31 Ca 0.57 -0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 60.43 1wuj s THR 31 Cb -0.16 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 70.96 1wuj s THR 31 CO 0.25 0.00 0.94 0.54 -0.54 0.00 0.00 174.62 175.81 1wuj n ARG 32 N -2.68 -5.88 -4.24 3.99 1.74 -1.26 -5.00 116.66 103.32 1wuj n ARG 32 Ca 0.12 0.67 -0.14 0.00 -0.77 0.00 0.00 57.85 57.72 1wuj n ARG 32 Cb 0.60 -5.50 -0.10 0.00 -1.02 0.00 0.00 32.46 26.44 1wuj n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1wuj s ILE 33 N -3.42 0.15 0.08 0.55 -4.36 -1.26 -4.72 121.20 108.22 1wuj s ILE 33 Ca 0.41 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.55 1wuj s ILE 33 Cb -0.20 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 40.92 1wuj s ILE 33 CO 0.80 0.00 0.76 -0.70 0.24 0.00 0.00 174.94 176.04 1wuj s GLU 34 N -4.05 4.51 0.81 0.37 -6.30 -1.07 -4.98 118.70 107.98 1wuj s GLU 34 Ca 0.39 1.08 0.00 0.00 -2.50 0.00 0.00 54.97 53.94 1wuj s GLU 34 Cb 0.07 -3.33 0.00 0.00 0.00 0.00 0.00 34.13 30.87 1wuj s GLU 34 CO 0.14 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1wuj n GLY 35 N 2.14 -1.84 3.10 -1.50 0.00 -1.26 -1.19 105.19 104.64 1wuj n GLY 35 Ca -0.04 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1wuj n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wuj s HIS 36 N 0.00 3.62 -0.03 1.61 3.76 -1.26 -4.88 115.29 118.12 1wuj s HIS 36 Ca 0.00 -2.53 0.06 0.00 -0.15 0.00 0.00 55.06 52.44 1wuj s HIS 36 Cb 0.00 -3.17 -0.01 0.00 1.11 0.00 0.00 32.58 30.50 1wuj s HIS 36 CO 0.00 -0.97 -0.21 -1.17 -0.85 0.00 0.00 174.74 171.54 1wuj s LEU 37 N 1.09 2.02 -0.19 0.89 2.96 -1.26 -1.55 118.68 122.65 1wuj s LEU 37 Ca 0.09 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1wuj s LEU 37 Cb -0.22 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.35 1wuj s LEU 37 CO -0.05 0.24 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.47 1wuj s ARG 38 N -0.32 3.13 -0.18 1.98 3.52 0.31 -1.14 118.95 126.24 1wuj s ARG 38 Ca 0.03 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 54.82 1wuj s ARG 38 Cb -0.10 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1wuj s ARG 38 CO 0.01 -0.17 0.00 0.42 -0.81 0.00 0.00 175.30 174.75 1wuj s ILE 39 N 1.26 4.08 -0.11 4.11 -1.09 -0.38 -1.08 121.20 127.99 1wuj s ILE 39 Ca 0.03 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1wuj s ILE 39 Cb -0.14 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.90 1wuj s ILE 39 CO -0.08 0.45 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.31 1wuj s GLU 40 N 0.71 3.20 0.11 2.79 2.02 -0.62 -0.63 118.70 126.29 1wuj s GLU 40 Ca 0.00 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1wuj s GLU 40 Cb -0.14 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1wuj s GLU 40 CO 0.02 0.25 -0.12 0.14 0.02 0.00 0.00 175.26 175.57 1wuj s VAL 41 N 0.23 1.18 -0.20 2.63 -7.23 -0.29 -0.51 120.40 116.21 1wuj s VAL 41 Ca -0.10 -1.70 -0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1wuj s VAL 41 Cb -0.16 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 1wuj s VAL 41 CO 0.06 -0.48 0.10 -1.61 -0.31 0.00 0.00 175.10 172.86 1wuj s GLU 42 N -2.74 4.04 -0.09 4.82 2.02 -0.27 -1.28 118.70 125.20 1wuj s GLU 42 Ca 0.08 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1wuj s GLU 42 Cb -0.04 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 1wuj s GLU 42 CO 0.02 0.21 -0.11 0.08 0.02 0.00 0.00 175.26 175.48 1wuj s VAL 43 N 0.57 3.30 -0.16 2.63 1.01 0.87 -0.49 120.40 128.12 1wuj s VAL 43 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1wuj s VAL 43 Cb -0.12 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.94 1wuj s VAL 43 CO 0.01 0.56 -0.09 -0.70 0.00 0.00 0.00 175.10 174.88 1wuj s GLU 44 N -0.32 1.76 -1.44 2.72 2.12 0.41 -0.50 118.70 123.45 1wuj s GLU 44 Ca 0.04 -0.56 -0.05 0.00 0.36 0.00 0.00 54.97 54.76 1wuj s GLU 44 Cb -0.13 -2.05 0.03 0.00 0.26 0.00 0.00 34.13 32.25 1wuj s GLU 44 CO 0.02 -0.36 0.62 -1.71 -0.54 0.00 0.00 175.26 173.30 1wuj n ASN 45 N 4.82 -1.60 0.00 -1.70 4.05 -1.11 -2.25 115.26 117.47 1wuj n ASN 45 Ca -0.14 -0.92 0.00 0.00 0.45 0.00 0.00 54.58 53.97 1wuj n ASN 45 Cb 0.48 -3.40 0.00 0.00 1.23 0.00 0.00 39.78 38.09 1wuj n ASN 45 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wuj n GLY 46 N -1.76 0.63 3.07 8.20 0.00 0.75 -4.79 105.19 111.28 1wuj n GLY 46 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1wuj n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuj s LYS 47 N -0.12 0.82 0.11 1.61 1.02 -0.95 -0.79 119.74 121.45 1wuj s LYS 47 Ca 0.00 -0.49 -0.31 0.00 0.02 0.00 0.00 55.97 55.19 1wuj s LYS 47 Cb 0.00 -0.79 -0.08 0.00 -0.52 0.00 0.00 37.83 36.44 1wuj s LYS 47 CO 0.00 0.21 1.50 0.08 -0.92 0.00 0.00 175.35 176.21 1wuj s VAL 48 N -0.48 3.06 -0.33 3.17 1.01 0.19 -0.45 120.40 126.57 1wuj s VAL 48 Ca 0.02 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1wuj s VAL 48 Cb -0.05 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1wuj s VAL 48 CO 0.00 0.04 0.30 2.29 0.00 0.00 0.00 175.10 177.73 1wuj n LYS 49 N 4.37 4.52 -3.51 2.72 2.85 0.36 -0.83 118.16 128.63 1wuj n LYS 49 Ca 0.13 -0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.24 1wuj n LYS 49 Cb 0.41 -0.85 -0.05 0.00 -0.65 0.00 0.00 35.03 33.89 1wuj n LYS 49 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wuj s ASN 50 N -1.71 -0.57 -0.03 -5.58 3.04 -1.15 -4.95 114.94 104.00 1wuj s ASN 50 Ca 0.03 0.37 -0.17 0.00 0.04 0.00 0.00 52.86 53.12 1wuj s ASN 50 Cb 0.05 0.54 0.03 0.00 -1.54 0.00 0.00 41.25 40.33 1wuj s ASN 50 CO 0.30 -0.73 0.37 0.00 -3.04 0.00 0.00 177.10 173.99 1wuj s ALA 51 N -2.21 -0.93 -0.04 1.71 0.00 -1.26 -1.11 121.76 117.92 1wuj s ALA 51 Ca -0.06 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1wuj s ALA 51 Cb -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1wuj s ALA 51 CO 0.01 -0.27 -0.08 0.71 0.00 0.00 0.00 175.76 176.13 1wuj s TYR 52 N -1.17 0.97 -0.44 0.00 2.02 0.33 -4.89 117.35 114.18 1wuj s TYR 52 Ca -0.12 -0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 1wuj s TYR 52 Cb -0.04 -0.74 0.09 0.00 -0.40 0.00 0.00 41.96 40.86 1wuj s TYR 52 CO 0.05 -0.17 0.29 0.45 -1.57 0.00 0.00 175.55 174.60 1wuj s SER 53 N 0.54 5.70 -0.30 2.29 0.15 -1.26 -1.59 113.70 119.22 1wuj s SER 53 Ca -0.09 -1.59 -0.05 0.00 0.70 0.00 0.00 55.95 54.92 1wuj s SER 53 Cb -0.12 -2.01 0.03 0.00 -1.71 0.00 0.00 66.02 62.21 1wuj s SER 53 CO 0.01 -0.59 0.05 -0.55 1.20 0.00 0.00 173.24 173.36 1wuj s SER 54 N 2.31 5.02 -0.27 5.45 0.15 -0.24 -4.44 113.70 121.67 1wuj s SER 54 Ca 0.04 -1.02 -0.15 0.00 0.70 0.00 0.00 55.95 55.52 1wuj s SER 54 Cb -0.24 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.23 1wuj s SER 54 CO 0.02 -0.25 0.40 -0.44 1.20 0.00 0.00 173.24 174.17 1wuj s SER 55 N 1.38 6.28 -0.08 5.45 0.01 -1.26 -0.53 113.70 124.96 1wuj s SER 55 Ca -0.01 0.32 0.11 0.00 1.31 0.00 0.00 55.95 57.68 1wuj s SER 55 Cb -0.18 -2.22 0.26 0.00 0.21 0.00 0.00 66.02 64.08 1wuj s SER 55 CO 0.01 -0.21 1.18 0.35 0.41 0.00 0.00 173.24 174.98 1wuj n THR 56 N 5.13 1.55 -4.78 1.44 -2.24 -0.59 -1.57 114.28 113.21 1wuj n THR 56 Ca -0.08 -1.59 -0.26 0.00 -2.27 0.00 0.00 64.05 59.85 1wuj n THR 56 Cb 0.50 0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.68 1wuj n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1wuj s LEU 57 N -1.98 1.84 -0.02 3.22 2.96 -1.26 -5.05 118.68 118.38 1wuj s LEU 57 Ca 0.23 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 1wuj s LEU 57 Cb 0.18 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 1wuj s LEU 57 CO 0.06 0.11 -0.25 0.12 -1.32 0.00 0.00 176.35 175.06 1wuj s PHE 58 N 0.31 2.28 -0.03 5.38 5.36 -1.26 -4.85 117.98 125.17 1wuj s PHE 58 Ca -0.10 -0.47 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 1wuj s PHE 58 Cb -0.14 -1.47 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 1wuj s PHE 58 CO 0.04 -0.06 -0.02 0.54 -1.46 0.00 0.00 175.22 174.25 1wuj n ARG 59 N 2.53 1.12 -2.41 10.12 1.74 -0.52 -5.08 116.66 124.16 1wuj n ARG 59 Ca -0.16 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 1wuj n ARG 59 Cb 0.51 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 1wuj n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wuj n GLY 60 N 3.19 0.93 0.30 -0.13 0.00 -0.85 -4.97 105.19 103.66 1wuj n GLY 60 Ca -0.06 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.37 1wuj n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wuj h LEU 61 N 0.00 0.31 -0.91 0.99 3.38 -1.91 -1.55 115.31 115.62 1wuj h LEU 61 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1wuj h LEU 61 Cb 0.98 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1wuj h LEU 61 CO 0.00 0.22 0.06 -0.33 0.09 0.00 0.00 178.44 178.48 1wuj h GLU 62 N 0.37 0.87 -0.27 1.13 5.08 -1.93 -1.67 114.58 118.15 1wuj h GLU 62 Ca 0.12 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1wuj h GLU 62 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1wuj h GLU 62 CO -0.03 0.83 -0.05 0.82 -1.00 0.00 0.00 179.01 179.58 1wuj h ILE 63 N 0.82 1.28 -0.41 3.13 2.04 -1.63 -3.15 117.51 119.58 1wuj h ILE 63 Ca 0.17 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 1wuj h ILE 63 Cb 0.40 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1wuj h ILE 63 CO 0.01 0.33 0.25 0.40 0.00 0.00 0.00 178.15 179.14 1wuj h ILE 64 N 0.28 1.12 0.00 -0.67 2.04 -1.05 -2.56 117.51 116.66 1wuj h ILE 64 Ca 0.07 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1wuj h ILE 64 Cb 0.51 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1wuj h ILE 64 CO 0.02 0.12 -0.07 -0.07 0.00 0.00 0.00 178.15 178.16 1wuj h LEU 65 N 0.56 0.00 -9.69 1.44 3.38 -1.27 -3.46 115.31 106.27 1wuj h LEU 65 Ca 0.15 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.57 1wuj h LEU 65 Cb -0.02 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.81 1wuj h LEU 65 CO -0.03 0.07 0.84 1.17 0.09 0.00 0.00 178.44 180.58 1wuj n LYS 66 N -3.17 2.52 -0.05 1.13 4.81 -0.97 -1.88 118.16 120.55 1wuj n LYS 66 Ca 0.01 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1wuj n LYS 66 Cb 0.37 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1wuj n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wuj n GLY 67 N 2.65 1.71 3.92 3.14 0.00 0.49 -4.98 105.19 112.12 1wuj n GLY 67 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1wuj n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wuj s ARG 68 N -0.40 2.19 0.06 1.61 0.52 -0.79 -4.52 118.95 117.62 1wuj s ARG 68 Ca 0.00 -0.17 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 1wuj s ARG 68 Cb 0.00 -2.13 -0.08 0.00 0.52 0.00 0.00 34.95 33.26 1wuj s ARG 68 CO 0.00 -1.28 1.61 0.34 0.02 0.00 0.00 175.30 175.99 1wuj s ASP 69 N -4.52 6.64 0.54 0.23 -1.08 -1.26 -0.90 116.67 116.33 1wuj s ASP 69 Ca 0.60 2.43 0.26 0.00 -0.52 0.00 0.00 52.55 55.32 1wuj s ASP 69 Cb -0.11 -2.56 1.44 0.00 -1.46 0.00 0.00 42.92 40.22 1wuj s ASP 69 CO 0.46 -0.86 1.99 -0.65 0.52 0.00 0.00 175.17 176.63 1wuj h PRO 70 N 8.21 0.00 0.00 4.34 0.11 -1.90 0.12 132.00 142.88 1wuj h PRO 70 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1wuj h PRO 70 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1wuj h PRO 70 CO 0.92 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.68 1wuj h ARG 71 N 0.00 0.00 0.00 1.05 3.08 -1.95 -2.30 114.38 114.26 1wuj h ARG 71 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1wuj h ARG 71 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1wuj h ARG 71 CO -0.00 0.04 -0.23 -0.25 -1.07 0.00 0.00 179.97 178.45 1wuj n ASP 72 N -3.29 0.76 -0.17 7.04 8.00 0.42 -4.31 116.55 124.99 1wuj n ASP 72 Ca -0.02 0.40 -0.04 0.00 0.71 0.00 0.00 54.79 55.84 1wuj n ASP 72 Cb 0.19 -0.43 0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1wuj n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wuj h ALA 73 N 2.53 0.66 -0.29 2.24 0.00 -1.46 -2.09 119.26 120.85 1wuj h ALA 73 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1wuj h ALA 73 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wuj h ALA 73 CO 0.00 -0.10 0.20 -0.56 0.00 0.00 0.00 179.25 178.79 1wuj h GLN 74 N 0.49 0.21 -0.21 0.00 3.07 -1.79 0.13 115.11 117.02 1wuj h GLN 74 Ca 0.23 -0.01 -0.20 0.00 0.09 0.00 0.00 58.65 58.76 1wuj h GLN 74 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.67 1wuj h GLN 74 CO -0.17 0.14 -0.65 0.45 0.09 0.00 0.00 178.83 178.69 1wuj h HIS 75 N 0.22 1.01 -0.04 0.06 3.86 -1.66 -1.17 115.15 117.44 1wuj h HIS 75 Ca 0.13 -0.40 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 1wuj h HIS 75 Cb 0.23 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1wuj h HIS 75 CO -0.00 1.22 -0.03 0.74 0.86 0.00 0.00 177.93 180.72 1wuj h PHE 76 N 0.57 0.10 0.00 2.45 -1.00 -1.26 -3.32 116.94 114.47 1wuj h PHE 76 Ca -0.02 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 1wuj h PHE 76 Cb 1.26 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.80 1wuj h PHE 76 CO 0.07 0.51 -0.09 1.79 -1.61 0.00 0.00 178.31 178.98 1wuj h THR 77 N -0.35 0.23 -0.41 -1.55 1.35 -0.79 -1.88 112.91 109.51 1wuj h THR 77 Ca 0.01 -0.81 0.04 0.00 -0.55 0.00 0.00 66.41 65.09 1wuj h THR 77 Cb 0.49 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1wuj h THR 77 CO 0.01 0.09 0.27 -0.61 -0.25 0.00 0.00 175.52 175.03 1wuj h GLN 78 N 0.00 0.38 0.00 4.72 4.15 -1.30 0.58 115.11 123.64 1wuj h GLN 78 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1wuj h GLN 78 Cb 0.66 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1wuj h GLN 78 CO 0.01 0.25 0.00 0.54 -1.93 0.00 0.00 178.83 177.70 1wuj n ARG 79 N -4.48 0.79 -0.36 1.69 3.00 -0.71 -2.39 116.66 114.21 1wuj n ARG 79 Ca 0.04 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.95 1wuj n ARG 79 Cb 0.19 -1.21 0.23 0.00 0.00 0.00 0.00 32.46 31.67 1wuj n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1wuj h THR 80 N 0.00 0.93 -1.97 0.55 2.02 -0.97 -3.44 112.91 110.02 1wuj h THR 80 Ca 0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1wuj h THR 80 Cb 0.00 -0.16 -0.21 0.00 -1.74 0.00 0.00 68.15 66.03 1wuj h THR 80 CO 0.00 0.18 0.11 0.00 0.37 0.00 0.00 175.52 176.18 1wuj n GLY 82 N 3.27 -0.45 0.05 0.00 0.00 -1.26 -3.16 105.19 103.64 1wuj n GLY 82 Ca -0.16 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 1wuj n GLY 82 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wuj h VAL 83 N 1.08 0.00 -0.61 1.61 2.07 -1.96 -3.28 116.25 115.16 1wuj h VAL 83 Ca 0.00 -0.99 -0.49 0.00 0.82 0.00 0.00 66.70 66.04 1wuj h VAL 83 Cb 0.58 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1wuj h VAL 83 CO 0.00 0.00 1.16 0.00 0.02 0.00 0.00 177.57 178.75 1wuj n THR 85 N 1.96 1.34 0.00 0.00 5.66 -1.19 -3.07 114.28 118.98 1wuj n THR 85 Ca 0.55 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 1wuj n THR 85 Cb 0.54 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 1wuj n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wuj n TYR 86 N -3.29 0.00 -0.27 1.09 -0.00 -1.26 -4.74 117.16 108.69 1wuj n TYR 86 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 58.04 1wuj n TYR 86 Cb 0.51 0.00 0.16 0.00 -0.00 0.00 0.00 39.34 40.01 1wuj n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1wuj h THR 87 N 0.00 0.88 -0.02 2.97 1.35 -1.91 0.89 112.91 117.08 1wuj h THR 87 Ca 0.00 -0.25 -0.18 0.00 -0.55 0.00 0.00 66.41 65.44 1wuj h THR 87 Cb 0.00 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.51 1wuj h THR 87 CO 0.00 0.13 -0.78 0.45 -0.25 0.00 0.00 175.52 175.07 1wuj h HIS 88 N 0.72 0.30 -0.72 4.73 3.86 -1.85 0.00 115.15 122.19 1wuj h HIS 88 Ca 0.38 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1wuj h HIS 88 Cb 0.37 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1wuj h HIS 88 CO -0.08 0.90 0.38 0.00 0.86 0.00 0.00 177.93 180.00 1wuj h ALA 89 N 1.05 0.92 -0.41 2.45 0.00 -1.41 0.31 119.26 122.18 1wuj h ALA 89 Ca -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1wuj h ALA 89 Cb 1.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wuj h ALA 89 CO 0.12 0.45 0.14 1.25 0.00 0.00 0.00 179.25 181.21 1wuj h LEU 90 N 0.99 0.58 -0.60 0.00 5.85 -0.68 -0.42 115.31 121.05 1wuj h LEU 90 Ca 0.25 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1wuj h LEU 90 Cb 0.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1wuj h LEU 90 CO -0.04 0.62 0.25 0.00 -0.34 0.00 0.00 178.44 178.93 1wuj h ALA 91 N 0.99 0.77 -0.52 1.25 0.00 -0.77 0.99 119.26 121.97 1wuj h ALA 91 Ca 0.13 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1wuj h ALA 91 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wuj h ALA 91 CO -0.01 0.38 -0.11 0.77 0.00 0.00 0.00 179.25 180.29 1wuj h SER 92 N 0.82 1.00 -0.58 0.00 0.02 -0.84 0.39 113.55 114.35 1wuj h SER 92 Ca 0.20 -0.35 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 1wuj h SER 92 Cb 0.18 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1wuj h SER 92 CO -0.02 1.12 -0.03 0.74 -1.14 0.00 0.00 176.83 177.50 1wuj h THR 93 N 0.86 1.27 -0.94 -2.27 2.02 -0.89 0.77 112.91 113.72 1wuj h THR 93 Ca 0.13 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1wuj h THR 93 Cb 0.67 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1wuj h THR 93 CO 0.05 0.42 0.62 0.03 0.37 0.00 0.00 175.52 177.01 1wuj h ARG 94 N 0.94 1.17 -0.25 6.66 3.08 -0.67 0.24 114.38 125.55 1wuj h ARG 94 Ca 0.16 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1wuj h ARG 94 Cb 0.59 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1wuj h ARG 94 CO 0.03 0.77 0.06 0.00 -1.07 0.00 0.00 179.97 179.77 1wuj h VAL 96 N 0.22 1.36 -0.60 0.00 2.07 -0.68 -0.80 116.25 117.83 1wuj h VAL 96 Ca 0.08 -2.39 0.12 0.00 0.82 0.00 0.00 66.70 65.33 1wuj h VAL 96 Cb 0.27 2.41 -0.11 0.00 -1.52 0.00 0.00 31.29 32.35 1wuj h VAL 96 CO 0.00 0.72 -0.07 0.44 0.02 0.00 0.00 177.57 178.68 1wuj h ASP 97 N 0.28 -0.40 -0.37 0.57 3.45 -0.50 -0.93 116.42 118.52 1wuj h ASP 97 Ca -0.10 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 1wuj h ASP 97 Cb 1.62 0.31 -0.02 0.00 -0.56 0.00 0.00 39.33 40.69 1wuj h ASP 97 CO 0.18 -0.15 0.19 -1.13 -1.57 0.00 0.00 179.24 176.75 1wuj h ASN 98 N 0.06 0.47 -0.91 6.45 -0.73 -1.05 -0.52 115.58 119.36 1wuj h ASN 98 Ca 0.30 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1wuj h ASN 98 Cb 0.48 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.90 1wuj h ASN 98 CO -0.56 0.45 0.58 0.00 -0.37 0.00 0.00 177.43 177.53 1wuj h ALA 99 N 1.04 1.15 -0.00 1.57 0.00 -0.58 -2.44 119.26 120.00 1wuj h ALA 99 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wuj h ALA 99 Cb 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1wuj h ALA 99 CO -0.02 0.58 -0.25 1.33 0.00 0.00 0.00 179.25 180.88 1wuj n VAL 100 N -4.43 0.00 -2.00 0.00 0.24 -0.40 -4.75 118.33 106.99 1wuj n VAL 100 Ca 0.10 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.34 62.27 1wuj n VAL 100 Cb 0.03 0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.46 1wuj n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wuj n GLY 101 N 1.40 0.20 3.83 7.63 0.00 -0.28 -4.74 105.19 113.22 1wuj n GLY 101 Ca 0.10 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1wuj n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuj s VAL 102 N -2.39 4.81 -0.39 1.61 0.11 -0.74 -5.03 120.40 118.37 1wuj s VAL 102 Ca 0.00 1.03 -0.07 0.00 -2.93 0.00 0.00 61.98 60.01 1wuj s VAL 102 Cb 0.00 -3.81 0.08 0.00 -1.53 0.00 0.00 36.38 31.11 1wuj s VAL 102 CO 0.00 0.42 0.20 -1.00 -3.33 0.00 0.00 175.10 171.39 1wuj s HIS 103 N -1.27 3.36 0.67 1.54 0.09 -1.26 -4.64 115.29 113.79 1wuj s HIS 103 Ca 0.33 -1.70 -0.13 0.00 -0.00 0.00 0.00 55.06 53.56 1wuj s HIS 103 Cb -0.17 -2.83 -0.00 0.00 -0.00 0.00 0.00 32.58 29.58 1wuj s HIS 103 CO 0.19 -0.85 1.06 0.96 -0.00 0.00 0.00 174.74 176.10 1wuj s ILE 104 N 1.35 3.85 0.76 0.60 -4.36 -1.26 -4.86 121.20 117.28 1wuj s ILE 104 Ca 0.02 0.70 -0.14 0.00 -0.26 0.00 0.00 60.65 60.97 1wuj s ILE 104 Cb -0.22 -3.33 0.06 0.00 1.25 0.00 0.00 42.46 40.22 1wuj s ILE 104 CO 0.01 -0.69 1.21 -2.84 0.24 0.00 0.00 174.94 172.87 1wuj s PRO 105 N -4.67 1.91 0.26 0.37 0.02 -1.26 -4.82 135.00 126.80 1wuj s PRO 105 Ca 0.61 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 63.40 1wuj s PRO 105 Cb -0.15 -1.80 0.50 0.00 0.02 0.00 0.00 34.50 33.07 1wuj s PRO 105 CO 0.49 -2.02 1.78 0.87 -0.33 0.00 0.00 177.00 177.79 1wuj h LYS 106 N -0.55 0.68 -0.15 5.54 1.57 -1.93 -0.93 116.57 120.80 1wuj h LYS 106 Ca -0.47 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 1wuj h LYS 106 Cb 1.30 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1wuj h LYS 106 CO 0.48 0.45 -0.26 -0.91 -0.57 0.00 0.00 179.45 178.64 1wuj h ASN 107 N 0.70 0.27 -0.57 0.86 2.35 -1.91 0.01 115.58 117.28 1wuj h ASN 107 Ca 0.45 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1wuj h ASN 107 Cb 0.57 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1wuj h ASN 107 CO -0.32 0.53 0.05 0.00 -1.65 0.00 0.00 177.43 176.04 1wuj h ALA 108 N 1.49 0.95 -0.29 -0.83 0.00 -1.37 0.50 119.26 119.71 1wuj h ALA 108 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1wuj h ALA 108 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wuj h ALA 108 CO 0.04 0.64 0.14 1.15 0.00 0.00 0.00 179.25 181.23 1wuj h THR 109 N 0.93 1.14 -0.32 0.00 2.02 -1.01 -0.22 112.91 115.45 1wuj h THR 109 Ca 0.18 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1wuj h THR 109 Cb 0.48 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1wuj h THR 109 CO 0.02 0.14 0.20 1.88 0.37 0.00 0.00 175.52 178.13 1wuj h TYR 110 N 0.33 0.42 -0.39 3.16 0.99 -0.76 -0.38 116.97 120.35 1wuj h TYR 110 Ca 0.10 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 1wuj h TYR 110 Cb 0.10 -0.14 -0.01 0.00 1.00 0.00 0.00 36.73 37.68 1wuj h TYR 110 CO -0.02 0.29 0.03 0.82 -0.00 0.00 0.00 178.16 179.28 1wuj h ILE 111 N 0.42 1.25 -0.98 -2.88 2.04 -0.81 0.54 117.51 117.09 1wuj h ILE 111 Ca 0.12 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.06 1wuj h ILE 111 Cb -0.01 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1wuj h ILE 111 CO -0.02 0.32 0.65 0.03 0.00 0.00 0.00 178.15 179.12 1wuj h ARG 112 N 0.49 1.25 -0.44 2.37 3.08 -0.94 -1.62 114.38 118.58 1wuj h ARG 112 Ca 0.11 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 1wuj h ARG 112 Cb 0.42 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1wuj h ARG 112 CO 0.01 0.83 -0.21 -0.91 -1.07 0.00 0.00 179.97 178.62 1wuj h ASN 113 N 1.29 0.95 -0.66 7.04 -0.26 -0.72 -1.87 115.58 121.34 1wuj h ASN 113 Ca 0.38 -0.40 -0.05 0.00 -0.56 0.00 0.00 56.30 55.66 1wuj h ASN 113 Cb -0.08 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 36.90 1wuj h ASN 113 CO -0.10 1.14 0.22 -0.07 -1.06 0.00 0.00 177.43 177.56 1wuj h LEU 114 N 0.75 0.96 -0.98 1.61 3.38 -0.59 0.98 115.31 121.42 1wuj h LEU 114 Ca 0.10 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1wuj h LEU 114 Cb 0.79 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1wuj h LEU 114 CO 0.06 0.90 0.01 0.58 0.09 0.00 0.00 178.44 180.09 1wuj h VAL 115 N 0.96 1.23 -0.40 1.22 2.07 -1.24 -1.16 116.25 118.92 1wuj h VAL 115 Ca 0.22 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 1wuj h VAL 115 Cb 0.28 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1wuj h VAL 115 CO -0.01 0.34 -0.26 0.25 0.02 0.00 0.00 177.57 177.91 1wuj h LEU 116 N 0.71 0.93 -0.89 2.57 5.85 -0.90 -1.19 115.31 122.39 1wuj h LEU 116 Ca 0.14 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1wuj h LEU 116 Cb 0.42 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1wuj h LEU 116 CO 0.02 1.15 0.56 1.23 -0.34 0.00 0.00 178.44 181.06 1wuj h GLY 117 N 0.71 1.27 1.45 3.75 0.00 -0.51 -1.28 103.07 108.45 1wuj h GLY 117 Ca 0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1wuj h GLY 117 CO 0.07 0.49 0.07 0.00 0.00 0.00 0.00 176.54 177.17 1wuj h ALA 118 N 1.31 1.28 -0.47 3.60 0.00 -0.99 -2.52 119.26 121.47 1wuj h ALA 118 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wuj h ALA 118 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1wuj h ALA 118 CO -0.06 0.50 0.30 0.37 0.00 0.00 0.00 179.25 180.35 1wuj h GLN 119 N 0.66 0.62 -0.97 0.00 5.75 -0.47 -1.93 115.11 118.78 1wuj h GLN 119 Ca 0.14 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 1wuj h GLN 119 Cb 0.32 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 1wuj h GLN 119 CO 0.00 0.43 0.63 1.88 -2.65 0.00 0.00 178.83 179.12 1wuj h TYR 120 N 0.63 1.14 -0.19 3.99 -1.99 -0.85 -0.03 116.97 119.66 1wuj h TYR 120 Ca 0.17 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.86 1wuj h TYR 120 Cb -0.05 -0.38 -0.00 0.00 2.00 0.00 0.00 36.73 38.30 1wuj h TYR 120 CO -0.04 0.60 -0.15 -0.07 -0.00 0.00 0.00 178.16 178.50 1wuj h LEU 121 N 1.13 0.47 -0.15 3.88 3.38 -1.11 -0.96 115.31 121.95 1wuj h LEU 121 Ca 0.41 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wuj h LEU 121 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1wuj h LEU 121 CO -0.16 0.82 0.02 -0.74 0.09 0.00 0.00 178.44 178.47 1wuj h HIS 122 N 0.11 0.03 0.06 1.13 2.76 -1.13 -2.32 115.15 115.80 1wuj h HIS 122 Ca 0.04 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1wuj h HIS 122 Cb 0.68 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1wuj h HIS 122 CO 0.07 0.01 -0.03 0.22 -1.30 0.00 0.00 177.93 176.90 1wuj h ASP 123 N 0.08 -0.07 -0.14 3.26 1.82 -0.90 -2.20 116.42 118.27 1wuj h ASP 123 Ca 0.07 -0.18 -0.09 0.00 -0.39 0.00 0.00 57.03 56.43 1wuj h ASP 123 Cb 0.07 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 1wuj h ASP 123 CO -0.10 0.14 -0.18 0.45 -1.61 0.00 0.00 179.24 177.94 1wuj h HIS 124 N -0.28 0.61 -0.18 0.28 3.86 -1.19 0.59 115.15 118.83 1wuj h HIS 124 Ca -0.01 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1wuj h HIS 124 Cb 0.25 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1wuj h HIS 124 CO -0.01 0.70 0.06 0.82 0.86 0.00 0.00 177.93 180.36 1wuj h ILE 125 N 0.50 1.18 -0.70 2.45 2.04 -1.30 -1.19 117.51 120.48 1wuj h ILE 125 Ca 0.08 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1wuj h ILE 125 Cb 0.60 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1wuj h ILE 125 CO 0.04 0.18 0.30 0.58 0.00 0.00 0.00 178.15 179.25 1wuj h VAL 126 N 0.11 1.23 0.10 1.67 2.07 -1.25 -2.27 116.25 117.92 1wuj h VAL 126 Ca 0.06 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1wuj h VAL 126 Cb 0.23 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1wuj h VAL 126 CO -0.00 0.29 -0.05 -0.74 0.02 0.00 0.00 177.57 177.09 1wuj h HIS 127 N 1.01 -0.12 -0.09 1.57 -0.00 -0.61 0.26 115.15 117.17 1wuj h HIS 127 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1wuj h HIS 127 Cb 0.16 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1wuj h HIS 127 CO 0.01 0.07 0.06 0.35 -0.00 0.00 0.00 177.93 178.42 1wuj h PHE 128 N -0.29 0.12 0.02 5.26 3.04 -1.09 0.23 116.94 124.23 1wuj h PHE 128 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1wuj h PHE 128 Cb 0.24 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1wuj h PHE 128 CO -0.02 0.10 -0.01 1.88 -2.02 0.00 0.00 178.31 178.24 1wuj h TYR 129 N 0.10 -0.03 0.00 0.41 0.05 -1.38 -0.10 116.97 116.02 1wuj h TYR 129 Ca 0.03 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1wuj h TYR 129 Cb 0.02 0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1wuj h TYR 129 CO -0.06 0.61 -1.07 0.72 -1.05 0.00 0.00 178.16 177.31 1wuj n HIS 130 N -4.71 0.83 -0.09 4.88 8.25 0.89 -3.58 115.22 121.69 1wuj n HIS 130 Ca -0.07 0.24 -0.16 0.00 -0.26 0.00 0.00 57.72 57.47 1wuj n HIS 130 Cb 0.31 -0.88 -0.07 0.00 1.12 0.00 0.00 29.99 30.48 1wuj n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wuj n LEU 131 N -2.57 2.05 0.03 2.41 4.77 -0.90 -4.85 117.00 117.94 1wuj n LEU 131 Ca -0.00 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 1wuj n LEU 131 Cb 0.54 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.91 1wuj n LEU 131 CO 0.40 0.57 -0.69 -0.74 -1.33 0.00 0.00 177.39 175.60 1wuj h HIS 132 N -0.37 0.54 0.00 -1.77 2.76 -0.58 -3.41 115.15 112.32 1wuj h HIS 132 Ca -0.43 -0.40 -0.02 0.00 -2.20 0.00 0.00 60.37 57.32 1wuj h HIS 132 Cb 1.49 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.43 1wuj h HIS 132 CO -0.02 1.70 -0.10 0.00 -1.30 0.00 0.00 177.93 178.20 1wuj h ALA 133 N 0.15 1.81 0.00 5.26 0.00 -1.06 -0.67 119.26 124.75 1wuj h ALA 133 Ca -0.38 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1wuj h ALA 133 Cb 2.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1wuj h ALA 133 CO 0.12 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1wuj n LEU 134 N -4.39 0.00 0.12 0.00 4.77 -1.26 -0.52 117.00 115.72 1wuj n LEU 134 Ca -0.03 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1wuj n LEU 134 Cb 0.18 -0.34 0.45 0.00 -2.33 0.00 0.00 43.42 41.38 1wuj n LEU 134 CO 0.35 -0.19 0.87 0.47 -1.33 0.00 0.00 177.39 177.56 1wuj n ASP 135 N -1.34 0.74 0.00 -1.43 8.00 -0.26 -4.32 116.55 117.94 1wuj n ASP 135 Ca 0.05 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1wuj n ASP 135 Cb 0.12 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 1wuj n ASP 135 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wuj n PHE 136 N -2.25 0.00 -4.10 1.24 3.01 0.32 -4.94 117.46 110.74 1wuj n PHE 136 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.15 1wuj n PHE 136 Cb 0.33 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.68 1wuj n PHE 136 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1wuj s VAL 137 N -1.21 4.06 -0.74 -4.37 1.01 0.03 -4.57 120.40 114.61 1wuj s VAL 137 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1wuj s VAL 137 Cb 0.00 -2.83 0.11 0.00 0.00 0.00 0.00 36.38 33.66 1wuj s VAL 137 CO 0.00 0.43 0.93 -0.62 0.00 0.00 0.00 175.10 175.84 1wuj s ASP 138 N 0.87 6.36 0.30 3.32 -1.08 -1.26 -4.64 116.67 120.55 1wuj s ASP 138 Ca 0.01 -1.56 -0.00 0.00 -0.52 0.00 0.00 52.55 50.48 1wuj s ASP 138 Cb -0.14 -2.37 0.47 0.00 -1.46 0.00 0.00 42.92 39.42 1wuj s ASP 138 CO 0.02 -1.17 1.89 0.58 0.52 0.00 0.00 175.17 177.00 1wuj h VAL 139 N 5.84 1.21 0.00 1.11 2.07 -1.96 -2.44 116.25 122.08 1wuj h VAL 139 Ca -0.12 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1wuj h VAL 139 Cb 1.06 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1wuj h VAL 139 CO 1.11 0.26 -0.34 0.71 0.02 0.00 0.00 177.57 179.32 1wuj h THR 140 N 0.84 0.89 0.00 2.57 1.35 -1.95 -2.38 112.91 114.23 1wuj h THR 140 Ca 0.20 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1wuj h THR 140 Cb 0.15 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1wuj h THR 140 CO -0.02 0.33 0.00 0.00 -0.25 0.00 0.00 175.52 175.58 1wuj h ALA 141 N 1.66 1.00 0.00 6.62 0.00 -1.83 -2.48 119.26 124.23 1wuj h ALA 141 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wuj h ALA 141 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1wuj h ALA 141 CO 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.28 1wuj h ALA 142 N 2.09 1.30 0.00 0.00 0.00 -1.42 -1.93 119.26 119.30 1wuj h ALA 142 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wuj h ALA 142 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wuj h ALA 142 CO 0.00 0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1wuj h LEU 143 N 0.00 0.00 -1.93 0.00 3.38 -1.59 -2.83 115.31 112.34 1wuj h LEU 143 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wuj h LEU 143 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wuj h LEU 143 CO 0.00 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.82 1wuj n LYS 144 N -2.85 2.30 -2.01 1.13 2.85 -0.73 -4.96 118.16 113.90 1wuj n LYS 144 Ca 0.01 -1.92 -0.33 0.00 -1.05 0.00 0.00 58.31 55.02 1wuj n LYS 144 Cb 0.31 -1.48 0.02 0.00 -0.65 0.00 0.00 35.03 33.23 1wuj n LYS 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wuj s ALA 145 N -1.83 2.66 -0.50 0.58 0.00 -1.07 -4.96 121.76 116.65 1wuj s ALA 145 Ca 0.32 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.54 1wuj s ALA 145 Cb 0.21 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 20.09 1wuj s ALA 145 CO 0.31 -0.92 0.89 0.34 0.00 0.00 0.00 175.76 176.38 1wuj s ASP 146 N -2.57 6.40 0.46 0.00 -1.08 -1.26 -4.96 116.67 113.66 1wuj s ASP 146 Ca 0.66 -0.17 0.20 0.00 -0.52 0.00 0.00 52.55 52.72 1wuj s ASP 146 Cb -0.18 -2.42 1.12 0.00 -1.46 0.00 0.00 42.92 39.97 1wuj s ASP 146 CO 0.36 -1.09 1.97 1.55 0.52 0.00 0.00 175.17 178.48 1wuj h PRO 147 N 9.15 0.00 -0.25 4.34 0.13 -1.94 -0.13 132.00 143.30 1wuj h PRO 147 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1wuj h PRO 147 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1wuj h PRO 147 CO 1.03 0.21 -0.21 0.00 -0.23 0.00 0.00 178.00 178.80 1wuj h ALA 148 N 1.79 0.36 -0.56 -0.56 0.00 -1.93 -0.06 119.26 118.31 1wuj h ALA 148 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1wuj h ALA 148 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1wuj h ALA 148 CO 0.03 0.31 0.25 -0.22 0.00 0.00 0.00 179.25 179.62 1wuj h LYS 149 N 0.30 0.82 -0.99 0.00 3.64 -1.89 -2.44 116.57 116.01 1wuj h LYS 149 Ca 0.04 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1wuj h LYS 149 Cb 0.76 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 1wuj h LYS 149 CO 0.05 0.69 0.65 0.00 -2.27 0.00 0.00 179.45 178.57 1wuj h ALA 150 N 1.09 1.31 -0.73 5.00 0.00 -0.93 -2.08 119.26 122.92 1wuj h ALA 150 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1wuj h ALA 150 Cb 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1wuj h ALA 150 CO -0.02 0.53 0.27 0.00 0.00 0.00 0.00 179.25 180.03 1wuj h ALA 151 N 1.41 1.10 -0.61 0.00 0.00 -0.77 0.10 119.26 120.49 1wuj h ALA 151 Ca 0.40 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1wuj h ALA 151 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1wuj h ALA 151 CO -0.13 0.63 0.05 0.87 0.00 0.00 0.00 179.25 180.68 1wuj h LYS 152 N 1.07 1.04 -0.18 0.00 1.57 -0.95 0.17 116.57 119.30 1wuj h LYS 152 Ca 0.24 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1wuj h LYS 152 Cb 0.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1wuj h LYS 152 CO -0.02 1.00 0.09 0.28 -0.57 0.00 0.00 179.45 180.23 1wuj h VAL 153 N 0.95 1.12 -0.46 0.50 2.07 -1.08 -1.17 116.25 118.18 1wuj h VAL 153 Ca 0.18 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1wuj h VAL 153 Cb 0.49 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1wuj h VAL 153 CO 0.02 0.12 0.11 0.00 0.02 0.00 0.00 177.57 177.84 1wuj h ALA 154 N 0.96 1.34 0.00 1.67 0.00 -0.45 -1.71 119.26 121.08 1wuj h ALA 154 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wuj h ALA 154 Cb 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1wuj h ALA 154 CO -0.01 0.47 0.00 0.77 0.00 0.00 0.00 179.25 180.48 1wuj h SER 155 N 0.67 0.00 1.71 0.00 0.02 -0.32 -3.06 113.55 112.57 1wuj h SER 155 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1wuj h SER 155 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1wuj h SER 155 CO -0.00 0.00 -0.27 0.77 -1.14 0.00 0.00 176.83 176.18 1wuj h SER 156 N 0.00 0.00 0.02 3.07 4.64 -0.28 -3.33 113.55 117.67 1wuj h SER 156 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wuj h SER 156 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1wuj h SER 156 CO 0.00 0.00 -0.69 2.30 -0.87 0.00 0.00 176.83 177.57 1wuj n ILE 157 N -2.96 0.00 -3.89 0.95 -5.35 -1.07 -4.97 119.36 102.07 1wuj n ILE 157 Ca 0.03 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 1wuj n ILE 157 Cb 0.53 1.07 -0.10 0.00 -1.74 0.00 0.00 39.64 39.40 1wuj n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1wuj s SER 158 N -2.72 0.06 0.45 7.28 0.15 -1.21 -4.75 113.70 112.95 1wuj s SER 158 Ca 0.14 -0.22 0.23 0.00 0.70 0.00 0.00 55.95 56.80 1wuj s SER 158 Cb 0.17 0.19 1.03 0.00 -1.71 0.00 0.00 66.02 65.70 1wuj s SER 158 CO 0.70 -0.31 1.89 1.55 1.20 0.00 0.00 173.24 178.27 1wuj h PRO 159 N 4.58 0.00 -6.19 5.44 0.13 -1.86 -3.42 132.00 130.69 1wuj h PRO 159 Ca -0.30 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.25 1wuj h PRO 159 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wuj h PRO 159 CO 0.41 0.24 1.33 -2.13 -0.23 0.00 0.00 178.00 177.61 1wuj n ARG 160 N -3.56 2.34 -3.36 0.86 0.63 -1.26 -4.99 116.66 107.31 1wuj n ARG 160 Ca -0.01 0.78 -0.38 0.00 -0.92 0.00 0.00 57.85 57.33 1wuj n ARG 160 Cb 0.38 -3.02 -0.06 0.00 0.45 0.00 0.00 32.46 30.21 1wuj n ARG 160 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1wuj s LYS 161 N 5.23 4.28 -0.07 -0.14 0.00 -1.26 -4.53 119.74 123.24 1wuj s LYS 161 Ca 0.95 0.41 0.05 0.00 0.00 0.00 0.00 55.97 57.38 1wuj s LYS 161 Cb -0.46 -3.41 -0.01 0.00 0.00 0.00 0.00 37.83 33.96 1wuj s LYS 161 CO 0.41 0.24 -0.23 0.99 0.00 0.00 0.00 175.35 176.76 1wuj s THR 162 N 0.37 1.96 0.37 3.79 2.01 -1.26 -5.03 115.64 117.84 1wuj s THR 162 Ca 0.25 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1wuj s THR 162 Cb -0.15 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1wuj s THR 162 CO 0.10 0.54 0.35 0.42 -0.69 0.00 0.00 174.62 175.34 1wuj s THR 163 N 0.05 3.17 0.25 -0.82 -4.23 -1.26 -4.64 115.64 108.17 1wuj s THR 163 Ca -0.09 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1wuj s THR 163 Cb -0.15 -3.11 0.23 0.00 1.34 0.00 0.00 72.50 70.82 1wuj s THR 163 CO 0.05 -0.09 1.81 0.00 -0.54 0.00 0.00 174.62 175.85 1wuj h ALA 164 N 1.12 1.26 -0.34 3.99 0.00 -1.87 -2.22 119.26 121.20 1wuj h ALA 164 Ca -0.43 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1wuj h ALA 164 Cb 1.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1wuj h ALA 164 CO 0.57 0.12 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 1wuj h ALA 165 N 1.48 1.26 -0.17 0.00 0.00 -1.95 0.16 119.26 120.03 1wuj h ALA 165 Ca 0.43 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1wuj h ALA 165 Cb 0.41 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1wuj h ALA 165 CO -0.26 0.49 -0.11 -0.44 0.00 0.00 0.00 179.25 178.94 1wuj h ASP 166 N 0.52 -0.35 1.11 0.00 3.32 -1.82 -1.26 116.42 117.93 1wuj h ASP 166 Ca 0.10 0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.05 1wuj h ASP 166 Cb 0.44 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 1wuj h ASP 166 CO 0.02 -0.14 -0.92 -0.07 -1.72 0.00 0.00 179.24 176.41 1wuj h LEU 167 N -0.10 0.00 -1.18 1.55 3.38 -1.02 -3.10 115.31 114.84 1wuj h LEU 167 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1wuj h LEU 167 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1wuj h LEU 167 CO -0.24 0.81 0.13 0.50 0.09 0.00 0.00 178.44 179.73 1wuj h LYS 168 N 0.00 0.70 -0.92 1.13 3.64 -0.44 -1.28 116.57 119.40 1wuj h LYS 168 Ca -0.04 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1wuj h LYS 168 Cb 1.65 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.29 1wuj h LYS 168 CO 0.10 0.63 0.59 0.00 -2.27 0.00 0.00 179.45 178.49 1wuj h ALA 169 N 1.46 1.27 -0.25 5.00 0.00 -1.15 0.15 119.26 125.73 1wuj h ALA 169 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wuj h ALA 169 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wuj h ALA 169 CO -0.01 0.37 0.01 0.28 0.00 0.00 0.00 179.25 179.90 1wuj h VAL 170 N 1.08 1.25 -0.81 0.00 2.07 -1.45 -2.25 116.25 116.13 1wuj h VAL 170 Ca 0.40 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 67.08 1wuj h VAL 170 Cb 0.15 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1wuj h VAL 170 CO -0.17 0.28 0.51 -0.61 0.02 0.00 0.00 177.57 177.60 1wuj h GLN 171 N 0.21 0.94 -0.48 1.57 4.15 -0.71 -0.07 115.11 120.72 1wuj h GLN 171 Ca 0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1wuj h GLN 171 Cb 0.40 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1wuj h GLN 171 CO 0.01 0.62 0.27 -0.44 -1.93 0.00 0.00 178.83 177.36 1wuj h ASP 172 N 0.97 0.59 -0.43 -0.69 3.45 -0.64 0.20 116.42 119.86 1wuj h ASP 172 Ca 0.34 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.70 1wuj h ASP 172 Cb 0.07 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1wuj h ASP 172 CO -0.14 0.50 0.21 0.50 -1.57 0.00 0.00 179.24 178.74 1wuj h LYS 173 N 0.63 0.63 -0.61 3.56 1.63 -1.03 -1.62 116.57 119.76 1wuj h LYS 173 Ca 0.17 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1wuj h LYS 173 Cb 0.03 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.53 1wuj h LYS 173 CO -0.03 0.54 0.13 1.25 -3.45 0.00 0.00 179.45 177.89 1wuj h LEU 174 N 0.56 0.91 -0.35 5.20 5.85 -0.78 -1.78 115.31 124.91 1wuj h LEU 174 Ca 0.15 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1wuj h LEU 174 Cb 0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1wuj h LEU 174 CO -0.02 0.90 0.22 0.50 -0.34 0.00 0.00 178.44 179.70 1wuj h LYS 175 N 0.92 0.47 -0.52 1.25 3.64 -0.11 0.21 116.57 122.43 1wuj h LYS 175 Ca 0.19 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1wuj h LYS 175 Cb 0.36 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1wuj h LYS 175 CO 0.00 0.35 0.30 1.15 -2.27 0.00 0.00 179.45 178.98 1wuj h THR 176 N 0.46 1.04 0.07 1.00 2.02 -1.11 0.11 112.91 116.50 1wuj h THR 176 Ca 0.13 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1wuj h THR 176 Cb -0.01 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1wuj h THR 176 CO -0.02 0.11 -0.03 0.15 0.37 0.00 0.00 175.52 176.09 1wuj h PHE 177 N 0.60 -0.08 -0.55 3.16 3.04 -0.82 -2.39 116.94 119.90 1wuj h PHE 177 Ca 0.21 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 1wuj h PHE 177 Cb 0.04 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1wuj h PHE 177 CO -0.07 -0.04 0.02 0.28 -2.02 0.00 0.00 178.31 176.48 1wuj h VAL 178 N -0.10 1.25 0.00 1.41 2.07 -0.34 -2.30 116.25 118.24 1wuj h VAL 178 Ca -0.01 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1wuj h VAL 178 Cb 0.08 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1wuj h VAL 178 CO 0.02 0.38 0.00 -0.62 0.02 0.00 0.00 177.57 177.36 1wuj n GLU 179 N -4.20 0.10 0.05 1.57 1.02 0.36 -1.43 120.64 118.11 1wuj n GLU 179 Ca 0.03 0.34 0.11 0.00 -0.02 0.00 0.00 57.16 57.62 1wuj n GLU 179 Cb 0.31 -1.69 0.46 0.00 -0.02 0.00 0.00 31.44 30.49 1wuj n GLU 179 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1wuj n THR 180 N -1.88 0.60 -0.29 2.62 -2.24 -0.86 -4.90 114.28 107.32 1wuj n THR 180 Ca 0.03 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1wuj n THR 180 Cb 0.20 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1wuj n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wuj n GLY 181 N 0.68 1.92 3.39 3.38 0.00 -0.51 -4.95 105.19 109.10 1wuj n GLY 181 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1wuj n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wuj s GLN 182 N -0.06 3.85 0.00 1.61 -0.21 -1.26 -4.88 119.66 118.72 1wuj s GLN 182 Ca 0.00 -2.47 0.28 0.00 0.02 0.00 0.00 55.36 53.18 1wuj s GLN 182 Cb 0.00 -4.73 1.17 0.00 1.00 0.00 0.00 33.01 30.45 1wuj s GLN 182 CO 0.00 -1.52 1.88 1.28 -2.12 0.00 0.00 175.29 174.82 1wuj n LEU 183 N 4.76 0.01 0.00 2.90 4.77 -1.26 -4.83 117.00 123.34 1wuj n LEU 183 Ca 0.24 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1wuj n LEU 183 Cb 0.45 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1wuj n LEU 183 CO 0.47 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1wuj n GLY 184 N 1.35 3.38 0.00 -0.72 0.00 -1.26 -0.63 105.19 107.31 1wuj n GLY 184 Ca 0.07 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.35 1wuj n GLY 184 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wuj n PRO 185 N 14.00 0.05 -0.09 1.61 -0.05 -1.26 -1.63 135.00 147.63 1wuj n PRO 185 Ca 0.00 0.27 0.12 0.00 -0.05 0.00 0.00 63.50 63.84 1wuj n PRO 185 Cb 0.00 -1.50 0.23 0.00 -0.05 0.00 0.00 33.50 32.18 1wuj n PRO 185 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1wuj n PHE 186 N -1.43 0.23 -1.66 0.54 3.72 0.20 -4.91 117.46 114.15 1wuj n PHE 186 Ca 0.03 -0.12 -0.47 0.00 -0.05 0.00 0.00 57.45 56.85 1wuj n PHE 186 Cb 0.11 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 1wuj n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1wuj n THR 187 N 1.14 0.03 -2.21 4.37 -1.04 -0.65 -1.74 114.28 114.19 1wuj n THR 187 Ca 0.17 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 62.02 1wuj n THR 187 Cb 0.54 -1.50 -0.02 0.00 -1.82 0.00 0.00 70.33 67.52 1wuj n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1wuj n ASN 188 N 3.54 -4.62 -4.72 8.00 5.03 -1.26 -4.94 115.26 116.29 1wuj n ASN 188 Ca 0.17 0.17 -0.39 0.00 0.87 0.00 0.00 54.58 55.41 1wuj n ASN 188 Cb 0.28 -3.95 0.04 0.00 -1.02 0.00 0.00 39.78 35.13 1wuj n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wuj n ALA 189 N -1.48 1.29 0.29 5.41 0.00 -0.71 -4.86 120.51 120.45 1wuj n ALA 189 Ca -0.18 0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.53 1wuj n ALA 189 Cb 0.62 -2.30 0.88 0.00 0.00 0.00 0.00 19.45 18.65 1wuj n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1wuj h TYR 190 N 1.29 0.00 -0.00 0.00 0.99 -1.92 -1.61 116.97 115.73 1wuj h TYR 190 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1wuj h TYR 190 Cb 1.32 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.05 1wuj h TYR 190 CO 0.44 0.05 -0.16 1.97 -0.00 0.00 0.00 178.16 180.46 1wuj n PHE 191 N -3.59 0.00 -1.98 4.88 1.16 -1.26 -4.66 117.46 112.01 1wuj n PHE 191 Ca -0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.14 1wuj n PHE 191 Cb 0.15 -0.34 -0.03 0.00 -1.61 0.00 0.00 39.48 37.66 1wuj n PHE 191 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1wuj s LEU 192 N -2.84 4.37 0.00 5.98 1.43 -0.61 -1.28 118.68 125.74 1wuj s LEU 192 Ca 0.18 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1wuj s LEU 192 Cb 0.19 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1wuj s LEU 192 CO 0.56 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1wuj n GLY 193 N 3.65 1.13 0.00 -3.19 0.00 -1.26 -4.81 105.19 100.70 1wuj n GLY 193 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1wuj n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuj n GLY 194 N -2.00 0.20 3.47 -0.02 0.00 -0.40 -5.09 105.19 101.34 1wuj n GLY 194 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 1wuj n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wuj s HIS 195 N -2.85 -0.85 0.51 1.61 5.04 -1.26 -4.84 115.29 112.65 1wuj s HIS 195 Ca 0.00 1.75 0.29 0.00 -1.54 0.00 0.00 55.06 55.56 1wuj s HIS 195 Cb 0.00 0.47 1.68 0.00 0.04 0.00 0.00 32.58 34.76 1wuj s HIS 195 CO 0.00 -0.44 2.18 -1.00 -2.34 0.00 0.00 174.74 173.13 1wuj h PRO 196 N 7.06 0.00 -0.00 2.88 0.13 -1.98 -1.85 132.00 138.24 1wuj h PRO 196 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1wuj h PRO 196 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wuj h PRO 196 CO 0.22 0.05 -0.12 0.00 -0.23 0.00 0.00 178.00 177.93 1wuj n ALA 197 N -2.29 2.73 -2.61 -0.56 0.00 -1.26 -4.78 120.51 111.74 1wuj n ALA 197 Ca -0.02 -0.23 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 1wuj n ALA 197 Cb 0.15 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 1wuj n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wuj s TYR 198 N -2.63 3.24 -0.06 0.00 1.51 -0.70 -4.98 117.35 113.73 1wuj s TYR 198 Ca 0.24 0.23 0.09 0.00 -1.01 0.00 0.00 57.07 56.63 1wuj s TYR 198 Cb 0.20 -2.42 -0.14 0.00 -0.11 0.00 0.00 41.96 39.48 1wuj s TYR 198 CO 0.51 -0.15 0.22 0.66 -1.11 0.00 0.00 175.55 175.68 1wuj n TYR 199 N 5.02 0.00 -2.32 2.71 4.01 -1.26 -4.83 117.16 120.49 1wuj n TYR 199 Ca -0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.26 1wuj n TYR 199 Cb 0.52 -0.19 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 1wuj n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wuj s LEU 200 N -3.50 3.82 0.77 7.72 1.43 -1.26 -5.02 118.68 122.65 1wuj s LEU 200 Ca -0.03 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1wuj s LEU 200 Cb 0.06 -4.51 0.06 0.00 0.03 0.00 0.00 46.19 41.83 1wuj s LEU 200 CO 0.38 -1.07 1.09 1.51 0.23 0.00 0.00 176.35 178.49 1wuj s ASP 201 N -1.73 4.68 0.29 2.29 1.47 -1.26 -4.85 116.67 117.56 1wuj s ASP 201 Ca 0.70 1.41 0.00 0.00 1.18 0.00 0.00 52.55 55.84 1wuj s ASP 201 Cb -0.23 -2.18 0.51 0.00 -0.34 0.00 0.00 42.92 40.68 1wuj s ASP 201 CO 0.27 -1.87 1.89 -0.65 0.68 0.00 0.00 175.17 175.50 1wuj h PRO 202 N -1.01 1.03 -0.38 2.11 0.11 -1.94 -1.68 132.00 130.24 1wuj h PRO 202 Ca -0.46 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1wuj h PRO 202 Cb 1.25 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1wuj h PRO 202 CO 0.58 0.68 -0.11 0.93 -0.21 0.00 0.00 178.00 179.87 1wuj h GLU 203 N 1.06 0.75 -0.38 1.05 3.07 -1.90 -0.58 114.58 117.65 1wuj h GLU 203 Ca 0.42 -0.29 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 1wuj h GLU 203 Cb 0.25 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1wuj h GLU 203 CO -0.17 0.90 -0.12 1.15 -1.40 0.00 0.00 179.01 179.37 1wuj h THR 204 N 0.55 1.25 -0.99 1.13 2.02 -1.89 -0.81 112.91 114.17 1wuj h THR 204 Ca 0.09 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.20 1wuj h THR 204 Cb 0.63 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1wuj h THR 204 CO 0.04 0.38 0.65 0.78 0.37 0.00 0.00 175.52 177.74 1wuj h ASN 205 N 0.61 1.06 -0.29 4.18 -0.26 -1.06 -1.38 115.58 118.44 1wuj h ASN 205 Ca 0.11 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1wuj h ASN 205 Cb 0.56 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1wuj h ASN 205 CO 0.03 0.70 -0.07 0.25 -1.06 0.00 0.00 177.43 177.29 1wuj h LEU 206 N 1.21 0.56 -0.28 1.61 5.85 -0.50 0.54 115.31 124.31 1wuj h LEU 206 Ca 0.41 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1wuj h LEU 206 Cb 0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1wuj h LEU 206 CO -0.14 0.79 0.02 0.40 -0.34 0.00 0.00 178.44 179.17 1wuj h ILE 207 N 0.32 0.83 -0.60 4.05 2.04 -1.02 0.78 117.51 123.91 1wuj h ILE 207 Ca 0.07 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 1wuj h ILE 207 Cb 0.54 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1wuj h ILE 207 CO 0.03 0.02 0.01 0.00 0.00 0.00 0.00 178.15 178.21 1wuj h ALA 208 N 1.22 0.89 -0.57 1.87 0.00 -1.12 -1.70 119.26 119.86 1wuj h ALA 208 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1wuj h ALA 208 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wuj h ALA 208 CO -0.20 0.66 0.20 1.15 0.00 0.00 0.00 179.25 181.06 1wuj h THR 209 N 0.95 1.23 -0.60 0.00 2.02 -0.66 0.74 112.91 116.59 1wuj h THR 209 Ca 0.17 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.66 1wuj h THR 209 Cb 0.53 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 1wuj h THR 209 CO 0.03 0.29 0.31 0.00 0.37 0.00 0.00 175.52 176.51 1wuj h ALA 210 N 1.06 0.79 -0.00 6.16 0.00 -0.58 -1.80 119.26 124.88 1wuj h ALA 210 Ca 0.19 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 1wuj h ALA 210 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1wuj h ALA 210 CO -0.01 -0.04 -0.80 0.45 0.00 0.00 0.00 179.25 178.84 1wuj h HIS 211 N 0.57 0.11 -0.32 0.00 3.86 -1.04 -0.48 115.15 117.86 1wuj h HIS 211 Ca 0.27 -0.06 0.07 0.00 -1.16 0.00 0.00 60.37 59.49 1wuj h HIS 211 Cb 0.20 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.59 1wuj h HIS 211 CO -0.10 0.85 -0.13 -0.92 0.86 0.00 0.00 177.93 178.49 1wuj h TYR 212 N 0.05 -0.30 -0.34 2.45 3.20 -0.56 0.60 116.97 122.05 1wuj h TYR 212 Ca -0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1wuj h TYR 212 Cb 1.41 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.85 1wuj h TYR 212 CO 0.01 -0.20 0.02 -0.07 -1.64 0.00 0.00 178.16 176.28 1wuj h LEU 213 N -0.07 0.58 -0.84 2.82 3.38 -1.09 -2.43 115.31 117.67 1wuj h LEU 213 Ca 0.16 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1wuj h LEU 213 Cb 0.31 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1wuj h LEU 213 CO -0.37 0.73 0.51 -0.08 0.09 0.00 0.00 178.44 179.33 1wuj h GLU 214 N 0.41 0.89 0.00 1.13 4.81 -0.85 -2.23 114.58 118.75 1wuj h GLU 214 Ca 0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1wuj h GLU 214 Cb 0.42 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1wuj h GLU 214 CO 0.01 0.59 -0.11 0.00 -0.73 0.00 0.00 179.01 178.77 1wuj h ALA 215 N 1.41 1.79 -0.90 2.92 0.00 -0.63 -0.36 119.26 123.48 1wuj h ALA 215 Ca 0.37 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1wuj h ALA 215 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1wuj h ALA 215 CO -0.19 0.14 0.59 -0.07 0.00 0.00 0.00 179.25 179.73 1wuj h LEU 216 N 0.00 0.99 0.08 0.00 3.38 -0.91 -0.26 115.31 118.59 1wuj h LEU 216 Ca -0.00 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 1wuj h LEU 216 Cb 0.21 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1wuj h LEU 216 CO 0.01 0.69 -1.53 0.03 0.09 0.00 0.00 178.44 177.73 1wuj h ARG 217 N 1.15 0.18 -0.66 1.13 3.08 -1.31 -3.35 114.38 114.59 1wuj h ARG 217 Ca 0.35 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1wuj h ARG 217 Cb -0.02 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1wuj h ARG 217 CO -0.10 1.00 0.27 1.25 -1.07 0.00 0.00 179.97 181.32 1wuj h LEU 218 N 0.05 0.88 -2.11 3.04 7.12 -0.89 -1.93 115.31 121.46 1wuj h LEU 218 Ca -0.23 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.64 1wuj h LEU 218 Cb 1.99 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 41.89 1wuj h LEU 218 CO 0.14 0.78 -0.07 0.06 -0.13 0.00 0.00 178.44 179.22 1wuj h GLN 219 N 0.95 0.00 -0.71 1.25 -0.00 -1.18 -0.51 115.11 114.91 1wuj h GLN 219 Ca 0.22 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.94 1wuj h GLN 219 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.59 1wuj h GLN 219 CO -0.02 0.07 0.40 0.28 -0.00 0.00 0.00 178.83 179.56 1wuj h VAL 220 N 0.00 0.97 -0.38 1.86 2.07 -1.49 -0.44 116.25 118.85 1wuj h VAL 220 Ca -0.00 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 1wuj h VAL 220 Cb 0.19 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1wuj h VAL 220 CO 0.01 0.13 -0.39 0.11 0.02 0.00 0.00 177.57 177.45 1wuj h LYS 221 N 0.73 0.92 -0.51 1.57 1.57 -1.18 0.16 116.57 119.83 1wuj h LYS 221 Ca 0.32 -0.48 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1wuj h LYS 221 Cb 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1wuj h LYS 221 CO -0.19 1.14 0.14 0.00 -0.57 0.00 0.00 179.45 179.97 1wuj h ALA 222 N 0.80 1.29 -0.09 3.86 0.00 -1.01 -2.08 119.26 122.03 1wuj h ALA 222 Ca 0.06 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1wuj h ALA 222 Cb 0.98 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1wuj h ALA 222 CO 0.09 0.50 -0.83 0.00 0.00 0.00 0.00 179.25 179.02 1wuj h ALA 223 N 1.41 0.38 -0.76 0.00 0.00 -1.01 -3.14 119.26 116.14 1wuj h ALA 223 Ca 0.17 -0.63 0.11 0.00 0.00 0.00 0.00 54.91 54.55 1wuj h ALA 223 Cb 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1wuj h ALA 223 CO -0.01 0.73 0.50 -0.09 0.00 0.00 0.00 179.25 180.38 1wuj h ARG 224 N 0.39 0.61 -0.80 0.00 2.43 -0.47 -0.78 114.38 115.76 1wuj h ARG 224 Ca -0.06 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.19 1wuj h ARG 224 Cb 1.45 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 1wuj h ARG 224 CO 0.16 0.40 0.52 0.00 -1.51 0.00 0.00 179.97 179.54 1wuj h ALA 225 N 1.62 1.84 -0.21 2.80 0.00 -1.34 0.44 119.26 124.41 1wuj h ALA 225 Ca 0.36 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1wuj h ALA 225 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wuj h ALA 225 CO -0.13 -0.03 -0.38 0.52 0.00 0.00 0.00 179.25 179.23 1wuj h MET 226 N 0.66 0.48 0.00 0.00 2.86 -1.25 -3.13 114.93 114.55 1wuj h MET 226 Ca 0.38 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1wuj h MET 226 Cb 0.57 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1wuj h MET 226 CO -0.15 0.79 -0.17 0.00 1.06 0.00 0.00 176.91 178.44 1wuj h ALA 227 N 1.19 0.99 -0.21 6.32 0.00 -0.86 0.14 119.26 126.83 1wuj h ALA 227 Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1wuj h ALA 227 Cb 0.85 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1wuj h ALA 227 CO 0.07 0.21 -0.19 0.28 0.00 0.00 0.00 179.25 179.62 1wuj h VAL 228 N 0.00 0.49 0.00 0.00 2.07 -1.33 -1.92 116.25 115.56 1wuj h VAL 228 Ca -0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 1wuj h VAL 228 Cb 0.75 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1wuj h VAL 228 CO 0.02 0.00 -1.86 0.49 0.02 0.00 0.00 177.57 176.24 1wuj n PHE 229 N -5.34 0.53 -0.38 1.57 3.72 -1.23 -4.66 117.46 111.67 1wuj n PHE 229 Ca -0.01 0.18 0.11 0.00 -0.05 0.00 0.00 57.45 57.67 1wuj n PHE 229 Cb 0.25 -0.99 0.30 0.00 -0.94 0.00 0.00 39.48 38.10 1wuj n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wuj n GLY 230 N 1.52 2.58 3.85 1.37 0.00 0.48 -4.78 105.19 110.20 1wuj n GLY 230 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1wuj n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuj n ALA 231 N 1.44 0.00 -3.56 4.61 0.00 -0.73 -0.92 120.51 121.35 1wuj n ALA 231 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1wuj n ALA 231 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 1wuj n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wuj s LYS 232 N 0.00 0.60 -0.02 0.00 -2.85 -1.26 -4.86 119.74 111.35 1wuj s LYS 232 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.90 1wuj s LYS 232 Cb 0.00 0.28 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1wuj s LYS 232 CO 0.00 -0.23 0.01 1.21 0.10 0.00 0.00 175.35 176.43 1wuj s ASN 233 N -1.82 0.29 0.56 0.03 3.04 -1.26 -3.21 114.94 112.56 1wuj s ASN 233 Ca 0.03 -0.01 -0.16 0.00 0.04 0.00 0.00 52.86 52.76 1wuj s ASN 233 Cb -0.01 -0.15 -0.06 0.00 -1.54 0.00 0.00 41.25 39.50 1wuj s ASN 233 CO -0.04 -0.09 1.02 -2.84 -3.04 0.00 0.00 177.10 172.12 1wuj s PRO 234 N 0.86 3.62 0.00 0.43 0.02 -1.26 -5.00 135.00 133.67 1wuj s PRO 234 Ca -0.08 1.08 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1wuj s PRO 234 Cb -0.11 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1wuj s PRO 234 CO -0.02 -0.55 0.00 0.72 -0.33 0.00 0.00 177.00 176.82 1wuj n HIS 235 N -1.82 0.00 -0.67 6.54 8.25 -1.26 -5.02 115.22 121.24 1wuj n HIS 235 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 1wuj n HIS 235 Cb 0.53 -0.95 0.17 0.00 1.12 0.00 0.00 29.99 30.87 1wuj n HIS 235 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wuj n THR 236 N -0.14 0.00 -2.95 1.59 -2.24 -1.20 -4.70 114.28 104.65 1wuj n THR 236 Ca 0.00 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 1wuj n THR 236 Cb 0.00 -0.97 0.01 0.00 -2.10 0.00 0.00 70.33 67.27 1wuj n THR 236 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1wuj n GLN 237 N -4.10 0.85 0.00 -0.78 7.27 -0.09 -4.91 117.38 115.61 1wuj n GLN 237 Ca 0.11 -2.48 0.00 0.00 0.07 0.00 0.00 57.00 54.70 1wuj n GLN 237 Cb 0.52 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.83 1wuj n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1wuj n PHE 238 N 1.05 0.00 -3.75 3.69 1.16 -1.26 -4.67 117.46 113.68 1wuj n PHE 238 Ca 0.15 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.36 1wuj n PHE 238 Cb 0.62 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.44 1wuj n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1wuj s THR 239 N 0.00 5.32 0.05 1.97 -4.23 -1.26 -0.88 115.64 116.61 1wuj s THR 239 Ca 0.00 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1wuj s THR 239 Cb 0.00 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 1wuj s THR 239 CO 0.00 0.51 -0.04 0.68 -0.54 0.00 0.00 174.62 175.23 1wuj s VAL 240 N -1.15 0.31 0.21 2.29 -7.23 -0.99 -4.90 120.40 108.93 1wuj s VAL 240 Ca 0.22 -1.62 -0.32 0.00 -1.81 0.00 0.00 61.98 58.44 1wuj s VAL 240 Cb -0.13 -1.26 -0.14 0.00 0.56 0.00 0.00 36.38 35.41 1wuj s VAL 240 CO 0.11 -0.84 1.49 0.52 -0.31 0.00 0.00 175.10 176.07 1wuj n VAL 241 N 0.44 0.53 0.00 1.32 0.31 -1.26 -1.87 118.33 117.80 1wuj n VAL 241 Ca -0.16 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1wuj n VAL 241 Cb 0.59 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1wuj n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wuj n GLY 242 N 2.71 1.31 0.00 2.92 0.00 -1.26 -4.85 105.19 106.02 1wuj n GLY 242 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wuj n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wuj n GLY 243 N -2.00 -0.40 3.23 -0.02 0.00 -0.78 -0.74 105.19 104.47 1wuj n GLY 243 Ca 0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1wuj n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wuj s VAL 244 N -0.32 0.28 -0.48 1.61 -7.23 -0.64 -2.36 120.40 111.27 1wuj s VAL 244 Ca 0.00 -1.98 0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1wuj s VAL 244 Cb 0.00 -2.39 -0.15 0.00 0.56 0.00 0.00 36.38 34.40 1wuj s VAL 244 CO 0.00 -0.17 0.48 0.35 -0.31 0.00 0.00 175.10 175.46 1wuj n THR 245 N -0.28 0.00 -2.75 5.32 -2.24 -0.06 -4.29 114.28 109.97 1wuj n THR 245 Ca -0.01 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 1wuj n THR 245 Cb 0.65 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1wuj n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wuj h TYR 247 N 7.20 0.00 0.00 0.00 -1.99 -1.96 -0.28 116.97 119.93 1wuj h TYR 247 Ca 0.38 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 1wuj h TYR 247 Cb 0.85 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.58 1wuj h TYR 247 CO 1.24 0.00 0.00 0.22 -0.00 0.00 0.00 178.16 179.62 1wuj h ASP 248 N 0.00 0.00 0.65 3.88 -0.00 -1.98 -2.05 116.42 116.93 1wuj h ASP 248 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 1wuj h ASP 248 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.03 1wuj h ASP 248 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 1wuj n ALA 249 N -2.03 1.69 0.55 -0.78 0.00 -0.12 -1.78 120.51 118.03 1wuj n ALA 249 Ca -0.01 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1wuj n ALA 249 Cb 0.19 -1.33 0.40 0.00 0.00 0.00 0.00 19.45 18.72 1wuj n ALA 249 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wuj h LEU 250 N 0.00 0.00 -9.92 0.00 3.38 -1.53 -3.41 115.31 103.83 1wuj h LEU 250 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1wuj h LEU 250 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wuj h LEU 250 CO 0.00 0.00 0.39 0.42 0.09 0.00 0.00 178.44 179.34 1wuj s THR 251 N -3.16 3.89 0.48 0.22 -4.23 -0.74 -4.94 115.64 107.17 1wuj s THR 251 Ca 0.09 1.53 0.18 0.00 -1.18 0.00 0.00 61.69 62.31 1wuj s THR 251 Cb 0.11 -3.83 0.34 0.00 1.34 0.00 0.00 72.50 70.46 1wuj s THR 251 CO 0.57 0.09 2.02 -0.65 -0.54 0.00 0.00 174.62 176.10 1wuj h PRO 252 N 2.87 0.19 -0.22 3.99 0.11 -1.90 -2.07 132.00 134.96 1wuj h PRO 252 Ca -0.48 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1wuj h PRO 252 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1wuj h PRO 252 CO 0.64 0.12 -0.05 1.96 -0.21 0.00 0.00 178.00 180.46 1wuj h GLN 253 N 0.19 0.43 -0.42 1.05 7.50 -1.92 0.13 115.11 122.06 1wuj h GLN 253 Ca 0.22 -0.16 -0.12 0.00 0.50 0.00 0.00 58.65 59.08 1wuj h GLN 253 Cb 0.61 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 1wuj h GLN 253 CO -0.04 0.66 -0.23 0.00 -1.50 0.00 0.00 178.83 177.73 1wuj h ARG 254 N 0.16 0.90 -0.82 1.46 2.47 -1.74 -0.92 114.38 115.89 1wuj h ARG 254 Ca 0.06 -0.40 0.02 0.00 -1.26 0.00 0.00 59.98 58.40 1wuj h ARG 254 Cb 0.50 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.75 1wuj h ARG 254 CO 0.02 1.05 0.53 0.82 0.56 0.00 0.00 179.97 182.95 1wuj h ILE 255 N 0.72 1.15 -0.57 2.04 2.04 -1.31 -0.60 117.51 120.99 1wuj h ILE 255 Ca 0.09 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1wuj h ILE 255 Cb 0.80 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1wuj h ILE 255 CO 0.07 0.19 0.19 0.00 0.00 0.00 0.00 178.15 178.60 1wuj h ALA 256 N 1.33 1.28 -0.32 1.87 0.00 -0.51 0.01 119.26 122.91 1wuj h ALA 256 Ca 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1wuj h ALA 256 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wuj h ALA 256 CO -0.10 0.52 -0.02 1.49 0.00 0.00 0.00 179.25 181.14 1wuj h GLU 257 N 0.82 0.58 -0.13 0.00 4.81 -0.53 -1.21 114.58 118.92 1wuj h GLU 257 Ca 0.19 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1wuj h GLU 257 Cb 0.21 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1wuj h GLU 257 CO -0.01 0.73 -0.06 0.35 -0.73 0.00 0.00 179.01 179.29 1wuj h PHE 258 N 0.37 -0.14 -0.99 0.92 3.04 -0.93 -2.51 116.94 116.70 1wuj h PHE 258 Ca 0.09 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1wuj h PHE 258 Cb 0.48 0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.03 1wuj h PHE 258 CO 0.04 -0.10 0.65 1.49 -2.02 0.00 0.00 178.31 178.38 1wuj h GLU 259 N -0.05 1.29 -0.60 1.11 4.81 -0.75 0.80 114.58 121.19 1wuj h GLU 259 Ca 0.07 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1wuj h GLU 259 Cb 0.15 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1wuj h GLU 259 CO -0.16 0.85 0.17 0.00 -0.73 0.00 0.00 179.01 179.14 1wuj h ALA 260 N 1.39 0.79 -0.50 2.92 0.00 -1.11 0.38 119.26 123.13 1wuj h ALA 260 Ca 0.37 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1wuj h ALA 260 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1wuj h ALA 260 CO -0.09 0.48 -0.08 -0.07 0.00 0.00 0.00 179.25 179.49 1wuj h LEU 261 N 0.86 0.93 -0.29 0.00 3.38 -0.96 -2.34 115.31 116.89 1wuj h LEU 261 Ca 0.19 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1wuj h LEU 261 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1wuj h LEU 261 CO -0.00 1.06 0.16 -0.25 0.09 0.00 0.00 178.44 179.49 1wuj h TRP 262 N 0.80 0.41 -0.76 1.13 7.01 -0.68 0.19 115.95 124.05 1wuj h TRP 262 Ca 0.13 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1wuj h TRP 262 Cb 0.62 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.51 1wuj h TRP 262 CO 0.05 0.33 0.49 0.87 -2.79 0.00 0.00 178.44 177.40 1wuj h LYS 263 N 0.36 0.97 -0.39 2.65 1.57 -0.80 0.29 116.57 121.21 1wuj h LYS 263 Ca 0.10 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1wuj h LYS 263 Cb 0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1wuj h LYS 263 CO -0.02 0.64 -0.31 1.49 -0.57 0.00 0.00 179.45 180.68 1wuj h GLU 264 N 1.00 0.87 -0.36 3.15 4.81 -1.21 -1.40 114.58 121.44 1wuj h GLU 264 Ca 0.29 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1wuj h GLU 264 Cb -0.07 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1wuj h GLU 264 CO -0.08 1.06 0.04 1.15 -0.73 0.00 0.00 179.01 180.46 1wuj h THR 265 N 0.73 1.24 -0.96 0.32 2.02 -0.23 -2.27 112.91 113.77 1wuj h THR 265 Ca 0.08 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.39 1wuj h THR 265 Cb 0.88 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 1wuj h THR 265 CO 0.08 0.30 0.63 0.50 0.37 0.00 0.00 175.52 177.40 1wuj h LYS 266 N 0.44 1.25 -0.87 6.66 3.64 -0.30 -1.16 116.57 126.24 1wuj h LYS 266 Ca 0.11 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1wuj h LYS 266 Cb 0.39 -0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1wuj h LYS 266 CO 0.01 0.83 0.56 0.00 -2.27 0.00 0.00 179.45 178.58 1wuj h ALA 267 N 1.36 1.13 -0.43 5.00 0.00 -1.10 -0.03 119.26 125.18 1wuj h ALA 267 Ca 0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1wuj h ALA 267 Cb -0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 1wuj h ALA 267 CO -0.08 0.42 0.12 0.35 0.00 0.00 0.00 179.25 180.06 1wuj h PHE 268 N 1.10 0.70 -0.17 0.00 3.04 -0.87 0.20 116.94 120.94 1wuj h PHE 268 Ca 0.34 -0.08 0.04 0.00 3.98 0.00 0.00 57.97 62.25 1wuj h PHE 268 Cb -0.02 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.24 1wuj h PHE 268 CO -0.02 0.65 -0.11 0.28 -2.02 0.00 0.00 178.31 177.10 1wuj h VAL 269 N 0.55 0.67 -0.29 1.41 2.07 -0.73 -0.29 116.25 119.65 1wuj h VAL 269 Ca 0.14 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.48 1wuj h VAL 269 Cb 0.29 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1wuj h VAL 269 CO -0.00 0.00 -0.53 0.44 0.02 0.00 0.00 177.57 177.50 1wuj h ASP 270 N -0.11 0.93 0.09 0.57 3.45 -0.84 0.00 116.42 120.52 1wuj h ASP 270 Ca 0.10 -0.49 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1wuj h ASP 270 Cb 0.26 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1wuj h ASP 270 CO -0.24 1.27 -1.53 -0.62 -1.57 0.00 0.00 179.24 176.56 1wuj n GLU 271 N -4.01 0.41 0.07 3.56 1.02 0.67 -4.45 120.64 117.91 1wuj n GLU 271 Ca -0.04 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1wuj n GLU 271 Cb 0.62 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1wuj n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wuj n VAL 272 N -2.00 0.90 0.34 2.62 0.31 -0.22 -4.70 118.33 115.58 1wuj n VAL 272 Ca -0.01 0.30 -0.17 0.00 -0.01 0.00 0.00 64.34 64.46 1wuj n VAL 272 Cb 0.48 -1.31 -0.08 0.00 -0.91 0.00 0.00 33.84 32.01 1wuj n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1wuj h TYR 273 N 0.00 -0.79 -0.43 3.52 3.20 -1.25 -1.84 116.97 119.37 1wuj h TYR 273 Ca 0.00 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1wuj h TYR 273 Cb 0.00 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1wuj h TYR 273 CO 0.00 -0.46 0.05 0.82 -1.64 0.00 0.00 178.16 176.93 1wuj h ILE 274 N -0.99 1.25 -0.73 1.81 1.08 -1.23 -0.04 117.51 118.66 1wuj h ILE 274 Ca -0.09 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.50 1wuj h ILE 274 Cb 0.69 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1wuj h ILE 274 CO 0.14 0.32 0.48 -0.65 -0.69 0.00 0.00 178.15 177.76 1wuj h PRO 275 N 0.58 0.81 -0.47 2.37 0.11 -1.77 -1.38 132.00 132.25 1wuj h PRO 275 Ca 0.13 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 1wuj h PRO 275 Cb 0.41 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1wuj h PRO 275 CO 0.01 0.54 0.03 -0.44 -0.21 0.00 0.00 178.00 177.93 1wuj h ASP 276 N 0.83 0.78 -0.72 -2.05 3.32 -0.81 -1.39 116.42 116.38 1wuj h ASP 276 Ca 0.30 -0.29 0.09 0.00 0.02 0.00 0.00 57.03 57.15 1wuj h ASP 276 Cb 0.15 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 1wuj h ASP 276 CO -0.10 0.88 0.37 0.25 -1.72 0.00 0.00 179.24 178.93 1wuj h LEU 277 N 0.66 0.50 -0.27 1.55 5.85 -0.56 -0.83 115.31 122.22 1wuj h LEU 277 Ca 0.14 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.71 1wuj h LEU 277 Cb 0.46 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1wuj h LEU 277 CO 0.02 0.29 -0.68 -0.07 -0.34 0.00 0.00 178.44 177.66 1wuj h LEU 278 N 0.64 0.88 -0.52 2.25 3.38 -1.04 0.39 115.31 121.29 1wuj h LEU 278 Ca 0.35 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1wuj h LEU 278 Cb 0.35 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wuj h LEU 278 CO -0.26 1.32 -0.02 1.62 0.09 0.00 0.00 178.44 181.19 1wuj h VAL 279 N 0.55 1.27 -0.27 1.22 3.04 -0.93 -0.16 116.25 120.96 1wuj h VAL 279 Ca -0.02 -1.13 -0.07 0.00 -1.01 0.00 0.00 66.70 64.46 1wuj h VAL 279 Cb 1.29 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 1wuj h VAL 279 CO 0.14 0.40 -0.12 0.58 -1.01 0.00 0.00 177.57 177.56 1wuj h VAL 280 N 0.79 1.29 -0.76 1.51 2.07 -1.11 -2.62 116.25 117.43 1wuj h VAL 280 Ca 0.14 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1wuj h VAL 280 Cb 0.56 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1wuj h VAL 280 CO 0.03 0.38 0.44 0.00 0.02 0.00 0.00 177.57 178.43 1wuj h ALA 281 N 0.75 1.35 -0.14 1.67 0.00 -0.77 -1.62 119.26 120.49 1wuj h ALA 281 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1wuj h ALA 281 Cb 0.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wuj h ALA 281 CO 0.04 0.55 -0.22 0.00 0.00 0.00 0.00 179.25 179.62 1wuj h ALA 282 N 1.44 1.37 0.00 0.00 0.00 -0.90 -2.38 119.26 118.78 1wuj h ALA 282 Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wuj h ALA 282 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wuj h ALA 282 CO -0.05 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1wuj h ALA 283 N 1.55 1.00 -0.72 0.00 0.00 -0.94 -3.30 119.26 116.86 1wuj h ALA 283 Ca 0.04 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 1wuj h ALA 283 Cb 0.52 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.90 1wuj h ALA 283 CO 0.04 0.00 -0.81 0.66 0.00 0.00 0.00 179.25 179.13 1wuj n TYR 284 N -2.98 2.63 0.31 0.00 4.02 -0.82 -4.84 117.16 115.48 1wuj n TYR 284 Ca 0.03 -2.19 0.19 0.00 -0.01 0.00 0.00 57.90 55.91 1wuj n TYR 284 Cb 0.42 -0.34 0.98 0.00 -0.02 0.00 0.00 39.34 40.38 1wuj n TYR 284 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1wuj h LYS 285 N 2.14 0.00 -0.00 -0.72 1.57 -1.55 0.97 116.57 118.98 1wuj h LYS 285 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1wuj h LYS 285 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 1wuj h LYS 285 CO 0.72 0.02 0.00 0.38 -0.57 0.00 0.00 179.45 180.01 1wuj h ASP 286 N 0.00 0.00 0.00 0.86 -0.00 -1.89 -2.24 116.42 113.15 1wuj h ASP 286 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1wuj h ASP 286 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.52 1wuj h ASP 286 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1wuj n TRP 287 N -3.32 0.00 0.66 4.15 7.02 0.33 -1.99 117.44 124.29 1wuj n TRP 287 Ca -0.03 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.55 1wuj n TRP 287 Cb 0.07 0.00 0.43 0.00 -2.42 0.00 0.00 31.31 29.39 1wuj n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1wuj n THR 288 N -0.85 0.65 0.86 -0.99 -2.24 -0.84 -2.32 114.28 108.56 1wuj n THR 288 Ca 0.13 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.15 1wuj n THR 288 Cb 0.06 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.44 1wuj n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wuj n GLN 289 N -1.58 1.37 -4.30 -0.78 6.02 -0.84 -4.68 117.38 112.59 1wuj n GLN 289 Ca 0.05 -0.79 -0.23 0.00 -0.01 0.00 0.00 57.00 56.02 1wuj n GLN 289 Cb 0.24 -1.38 -0.12 0.00 1.02 0.00 0.00 30.24 30.00 1wuj n GLN 289 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1wuj s TYR 290 N -2.27 1.77 -0.53 1.08 2.02 -1.24 -4.89 117.35 113.29 1wuj s TYR 290 Ca 0.15 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1wuj s TYR 290 Cb 0.15 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.78 1wuj s TYR 290 CO 0.53 0.25 0.10 0.41 -1.57 0.00 0.00 175.55 175.27 1wuj n GLY 291 N 0.75 0.20 3.83 0.71 0.00 -1.18 -0.09 105.19 109.42 1wuj n GLY 291 Ca -0.17 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1wuj n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wuj s GLY 292 N -2.81 1.66 0.20 -0.02 0.00 -1.25 -3.76 107.32 101.35 1wuj s GLY 292 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1wuj s GLY 292 CO 0.06 0.31 0.07 -0.51 0.00 0.00 0.00 173.10 173.03 1wuj s THR 293 N -3.10 0.38 -0.24 0.90 -4.23 -1.26 -4.15 115.64 103.94 1wuj s THR 293 Ca 0.58 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1wuj s THR 293 Cb -0.13 -2.38 -0.16 0.00 1.34 0.00 0.00 72.50 71.17 1wuj s THR 293 CO 0.55 -0.20 -0.21 0.47 -0.54 0.00 0.00 174.62 174.69 1wuj n ASP 294 N -0.30 2.13 -4.25 3.99 8.00 -1.26 -4.87 116.55 119.99 1wuj n ASP 294 Ca -0.02 -0.13 -0.23 0.00 0.71 0.00 0.00 54.79 55.12 1wuj n ASP 294 Cb 0.65 -0.37 -0.13 0.00 -0.02 0.00 0.00 41.12 41.25 1wuj n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1wuj s ASN 295 N -6.32 2.32 -0.01 -2.24 0.01 -1.26 -0.91 114.94 106.53 1wuj s ASN 295 Ca -0.32 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.22 1wuj s ASN 295 Cb 0.08 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.61 1wuj s ASN 295 CO 0.55 0.06 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.83 1wuj s PHE 296 N -1.06 0.27 0.00 2.20 0.40 -0.09 -0.56 117.98 119.15 1wuj s PHE 296 Ca 0.05 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1wuj s PHE 296 Cb -0.10 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.18 1wuj s PHE 296 CO 0.03 -0.05 -0.05 -1.50 0.70 0.00 0.00 175.22 174.35 1wuj s ILE 297 N 0.31 0.39 -0.05 0.64 2.07 -0.46 -0.81 121.20 123.29 1wuj s ILE 297 Ca -0.03 -0.30 -0.18 0.00 -1.41 0.00 0.00 60.65 58.73 1wuj s ILE 297 Cb -0.06 -0.35 0.04 0.00 0.13 0.00 0.00 42.46 42.22 1wuj s ILE 297 CO -0.01 0.05 0.41 0.28 -1.91 0.00 0.00 174.94 173.76 1wuj s THR 298 N -0.26 0.03 -0.57 4.00 -1.32 -0.80 -4.35 115.64 112.37 1wuj s THR 298 Ca 0.00 -0.28 0.14 0.00 -1.21 0.00 0.00 61.69 60.35 1wuj s THR 298 Cb -0.03 -0.68 -0.17 0.00 -1.51 0.00 0.00 72.50 70.11 1wuj s THR 298 CO -0.00 -0.15 0.57 0.49 -2.21 0.00 0.00 174.62 173.31 1wuj n PHE 299 N 1.57 0.00 0.00 9.09 0.99 -1.26 -1.38 117.46 126.47 1wuj n PHE 299 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 1wuj n PHE 299 Cb 0.56 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.99 1wuj n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1wuj n GLY 300 N 1.39 -2.04 3.41 1.37 0.00 -1.25 -3.91 105.19 104.16 1wuj n GLY 300 Ca 0.02 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 1wuj n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wuj s GLU 301 N -3.39 1.12 -0.12 1.61 2.56 -0.31 -3.36 118.70 116.80 1wuj s GLU 301 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.97 54.67 1wuj s GLU 301 Cb 0.00 0.51 -0.00 0.00 2.00 0.00 0.00 34.13 36.64 1wuj s GLU 301 CO 0.00 -0.43 0.12 1.19 -0.56 0.00 0.00 175.26 175.57 1wuj n PHE 302 N 0.15 -0.47 -2.04 5.30 3.01 -1.26 -1.63 117.46 120.51 1wuj n PHE 302 Ca -0.18 0.18 -0.34 0.00 1.01 0.00 0.00 57.45 58.12 1wuj n PHE 302 Cb 0.62 -2.01 0.02 0.00 -0.01 0.00 0.00 39.48 38.09 1wuj n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1wuj s PRO 303 N -3.02 3.17 -0.08 -1.08 0.04 -1.26 -2.15 135.00 130.61 1wuj s PRO 303 Ca 0.01 1.42 0.12 0.00 0.04 0.00 0.00 61.00 62.59 1wuj s PRO 303 Cb -0.00 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 32.31 1wuj s PRO 303 CO 0.12 -0.96 0.51 1.63 0.04 0.00 0.00 177.00 178.33 1wuj n LYS 304 N -1.86 0.65 -3.96 4.56 4.76 -1.08 -4.88 118.16 116.34 1wuj n LYS 304 Ca 0.10 0.23 -0.30 0.00 -2.87 0.00 0.00 58.31 55.48 1wuj n LYS 304 Cb 0.52 -1.73 -0.16 0.00 -1.84 0.00 0.00 35.03 31.82 1wuj n LYS 304 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1wuj s ASP 305 N -6.04 3.04 0.27 4.39 3.68 -1.26 -5.02 116.67 115.73 1wuj s ASP 305 Ca -0.07 -0.72 0.21 0.00 2.13 0.00 0.00 52.55 54.09 1wuj s ASP 305 Cb 0.07 -1.11 1.01 0.00 -1.45 0.00 0.00 42.92 41.45 1wuj s ASP 305 CO 0.82 -0.14 1.64 -0.62 0.13 0.00 0.00 175.17 176.99 1wuj n GLU 306 N 4.77 0.15 -0.18 4.34 -0.58 -1.26 -1.93 120.64 125.95 1wuj n GLU 306 Ca -0.14 0.53 0.09 0.00 -0.42 0.00 0.00 57.16 57.22 1wuj n GLU 306 Cb 0.48 -1.88 0.19 0.00 -0.57 0.00 0.00 31.44 29.65 1wuj n GLU 306 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1wuj n TYR 307 N -2.18 0.47 -3.66 -0.32 4.02 -1.26 -4.86 117.16 109.37 1wuj n TYR 307 Ca 0.00 -0.30 -0.29 0.00 -0.01 0.00 0.00 57.90 57.31 1wuj n TYR 307 Cb 0.12 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 39.27 1wuj n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1wuj s ASP 308 N -1.23 3.48 0.53 7.72 3.68 -0.81 -4.98 116.67 125.06 1wuj s ASP 308 Ca 0.32 -1.26 0.19 0.00 2.13 0.00 0.00 52.55 53.94 1wuj s ASP 308 Cb 0.18 -0.58 1.37 0.00 -1.45 0.00 0.00 42.92 42.44 1wuj s ASP 308 CO 0.25 -0.39 2.14 -0.07 0.13 0.00 0.00 175.17 177.23 1wuj h LEU 309 N 8.26 0.00 0.00 -1.34 3.38 -1.89 -1.08 115.31 122.63 1wuj h LEU 309 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wuj h LEU 309 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1wuj h LEU 309 CO 0.42 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.54 1wuj n ASN 310 N -4.40 0.00 -0.27 -0.43 5.03 -1.26 -2.01 115.26 111.91 1wuj n ASN 310 Ca -0.01 -0.88 0.13 0.00 0.87 0.00 0.00 54.58 54.69 1wuj n ASN 310 Cb 0.17 -0.02 0.64 0.00 -1.02 0.00 0.00 39.78 39.54 1wuj n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1wuj n SER 311 N -1.02 0.83 -4.83 6.41 3.41 -0.41 -4.94 113.62 113.06 1wuj n SER 311 Ca 0.22 -1.36 -0.33 0.00 -0.26 0.00 0.00 58.87 57.14 1wuj n SER 311 Cb 0.12 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1wuj n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wuj s ARG 312 N -1.97 4.12 0.24 4.33 0.52 -0.85 -2.64 118.95 122.70 1wuj s ARG 312 Ca 0.39 0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 56.39 1wuj s ARG 312 Cb 0.20 -2.42 0.32 0.00 0.52 0.00 0.00 34.95 33.56 1wuj s ARG 312 CO 0.32 0.13 1.85 0.35 0.02 0.00 0.00 175.30 177.97 1wuj h PHE 313 N 2.32 0.94 -3.14 -0.53 3.57 -0.78 -3.34 116.94 115.98 1wuj h PHE 313 Ca -0.48 0.03 -0.63 0.00 3.53 0.00 0.00 57.97 60.41 1wuj h PHE 313 Cb 1.18 -0.30 -0.13 0.00 2.79 0.00 0.00 35.95 39.49 1wuj h PHE 313 CO 0.62 0.48 -0.54 -0.06 -2.23 0.00 0.00 178.31 176.58 1wuj s PHE 314 N -6.07 3.35 0.22 0.41 0.08 -0.95 -4.98 117.98 110.04 1wuj s PHE 314 Ca -0.13 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.17 1wuj s PHE 314 Cb 0.18 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1wuj s PHE 314 CO 0.79 0.36 0.40 0.15 -0.10 0.00 0.00 175.22 176.81 1wuj s LYS 315 N -0.11 3.50 0.84 0.44 1.02 -1.26 -1.17 119.74 123.00 1wuj s LYS 315 Ca 0.08 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.55 1wuj s LYS 315 Cb -0.12 -2.84 0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1wuj s LYS 315 CO 0.01 0.39 1.09 -1.25 -0.92 0.00 0.00 175.35 174.66 1wuj s PRO 316 N -3.50 1.73 0.00 -1.68 0.04 -1.25 -3.95 135.00 126.39 1wuj s PRO 316 Ca 0.38 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1wuj s PRO 316 Cb -0.11 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1wuj s PRO 316 CO 0.30 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.82 1wuj n GLY 317 N -1.35 0.37 2.89 0.56 0.00 -0.48 -4.80 105.19 102.38 1wuj n GLY 317 Ca 0.08 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1wuj n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wuj s VAL 318 N -2.00 0.41 -0.04 1.61 1.01 -0.50 -1.91 120.40 118.98 1wuj s VAL 318 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1wuj s VAL 318 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1wuj s VAL 318 CO 0.00 0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.47 1wuj s VAL 319 N 0.68 0.99 -0.09 2.92 1.01 0.01 -0.46 120.40 125.46 1wuj s VAL 319 Ca -0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1wuj s VAL 319 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1wuj s VAL 319 CO -0.00 0.31 -0.04 -0.36 0.00 0.00 0.00 175.10 175.00 1wuj s PHE 320 N 0.30 3.03 -1.53 5.22 0.08 -1.26 -0.91 117.98 122.91 1wuj s PHE 320 Ca -0.06 0.01 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 1wuj s PHE 320 Cb -0.11 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.62 1wuj s PHE 320 CO 0.02 0.30 0.68 1.63 -0.10 0.00 0.00 175.22 177.75 1wuj n LYS 321 N 2.46 -3.82 -1.97 0.44 5.02 -0.52 -1.44 118.16 118.34 1wuj n LYS 321 Ca -0.18 0.45 -0.17 0.00 -2.02 0.00 0.00 58.31 56.39 1wuj n LYS 321 Cb 0.53 -4.97 -0.04 0.00 -0.02 0.00 0.00 35.03 30.54 1wuj n LYS 321 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wuj n ARG 322 N -4.44 -1.67 -2.74 1.97 1.74 -0.09 -4.90 116.66 106.52 1wuj n ARG 322 Ca -0.11 0.90 -0.43 0.00 -0.77 0.00 0.00 57.85 57.44 1wuj n ARG 322 Cb 0.59 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 1wuj n ARG 322 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wuj n ASP 323 N -1.43 5.09 0.00 0.55 4.64 -0.52 -4.74 116.55 120.15 1wuj n ASP 323 Ca -0.18 -2.98 0.14 0.00 -1.38 0.00 0.00 54.79 50.39 1wuj n ASP 323 Cb 0.60 -1.60 0.64 0.00 -1.04 0.00 0.00 41.12 39.72 1wuj n ASP 323 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1wuj n PHE 324 N 6.01 0.00 0.26 -0.67 3.72 -1.26 -1.92 117.46 123.60 1wuj n PHE 324 Ca 0.40 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.96 1wuj n PHE 324 Cb 0.42 -0.45 0.50 0.00 -0.94 0.00 0.00 39.48 39.01 1wuj n PHE 324 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1wuj h LYS 325 N 0.00 0.00 -2.19 -1.08 6.56 -1.95 -3.36 116.57 114.55 1wuj h LYS 325 Ca 0.00 0.00 -0.57 0.00 -1.06 0.00 0.00 60.65 59.02 1wuj h LYS 325 Cb 0.44 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 31.69 1wuj h LYS 325 CO 0.00 0.01 -0.77 0.09 -2.06 0.00 0.00 179.45 176.72 1wuj n ASN 326 N -3.10 3.30 -4.73 0.86 3.02 -0.81 -5.07 115.26 108.73 1wuj n ASN 326 Ca 0.02 -3.42 -0.42 0.00 -0.03 0.00 0.00 54.58 50.73 1wuj n ASN 326 Cb 0.39 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1wuj n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wuj s ILE 327 N -3.35 2.83 0.05 2.41 1.01 -1.26 -4.80 121.20 118.10 1wuj s ILE 327 Ca 0.44 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.70 1wuj s ILE 327 Cb 0.25 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 1wuj s ILE 327 CO -0.10 0.07 0.23 -0.54 0.00 0.00 0.00 174.94 174.60 1wuj s LYS 328 N 0.58 3.48 0.67 2.79 -0.14 0.40 -4.93 119.74 122.59 1wuj s LYS 328 Ca 0.65 -0.33 -0.17 0.00 -1.36 0.00 0.00 55.97 54.76 1wuj s LYS 328 Cb -0.41 -3.03 0.01 0.00 -1.68 0.00 0.00 37.83 32.71 1wuj s LYS 328 CO 0.35 0.61 1.25 -1.25 -0.76 0.00 0.00 175.35 175.55 1wuj s PRO 329 N -2.31 2.43 -0.31 -1.68 0.04 -1.26 -1.41 135.00 130.50 1wuj s PRO 329 Ca 0.33 1.92 -0.24 0.00 0.04 0.00 0.00 61.00 63.05 1wuj s PRO 329 Cb -0.13 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1wuj s PRO 329 CO 0.24 -1.65 0.83 0.12 0.04 0.00 0.00 177.00 176.57 1wuj s PHE 330 N -1.65 3.20 -0.38 0.56 5.36 -1.26 -4.62 117.98 119.19 1wuj s PHE 330 Ca 0.79 0.87 -0.09 0.00 -0.96 0.00 0.00 56.93 57.53 1wuj s PHE 330 Cb -0.33 -3.28 0.05 0.00 -0.34 0.00 0.00 43.02 39.11 1wuj s PHE 330 CO 0.41 -0.59 0.19 0.34 -1.46 0.00 0.00 175.22 174.11 1wuj s ASP 331 N 1.62 5.59 0.19 6.13 3.68 -1.26 -4.97 116.67 127.65 1wuj s ASP 331 Ca 0.34 -1.19 0.18 0.00 2.13 0.00 0.00 52.55 54.02 1wuj s ASP 331 Cb -0.14 -1.97 0.84 0.00 -1.45 0.00 0.00 42.92 40.20 1wuj s ASP 331 CO 0.13 -0.41 1.56 2.29 0.13 0.00 0.00 175.17 178.86 1wuj n LYS 332 N 4.92 0.12 0.00 4.34 2.85 -1.26 -1.22 118.16 127.91 1wuj n LYS 332 Ca -0.11 0.46 0.14 0.00 -1.05 0.00 0.00 58.31 57.75 1wuj n LYS 332 Cb 0.45 -1.78 0.64 0.00 -0.65 0.00 0.00 35.03 33.69 1wuj n LYS 332 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wuj n MET 333 N -2.01 0.66 -0.28 -1.58 2.81 -1.26 -3.67 117.12 111.79 1wuj n MET 333 Ca 0.01 -0.20 0.11 0.00 -1.81 0.00 0.00 57.70 55.81 1wuj n MET 333 Cb 0.13 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.42 1wuj n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1wuj n GLN 334 N -1.00 2.45 -3.03 0.03 1.13 -0.36 -4.86 117.38 111.75 1wuj n GLN 334 Ca 0.15 -2.23 -0.40 0.00 -1.94 0.00 0.00 57.00 52.58 1wuj n GLN 334 Cb 0.27 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.07 1wuj n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wuj s ILE 335 N -1.26 5.01 0.00 5.09 1.01 -1.24 -1.73 121.20 128.08 1wuj s ILE 335 Ca 0.41 1.43 0.02 0.00 0.00 0.00 0.00 60.65 62.51 1wuj s ILE 335 Cb 0.22 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1wuj s ILE 335 CO 0.30 0.17 -0.07 -1.61 0.00 0.00 0.00 174.94 173.73 1wuj s GLU 336 N 1.34 0.54 -0.24 2.79 2.02 -0.64 -4.16 118.70 120.35 1wuj s GLU 336 Ca 0.36 -0.29 -0.06 0.00 0.02 0.00 0.00 54.97 54.99 1wuj s GLU 336 Cb -0.17 -0.50 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 1wuj s GLU 336 CO 0.15 0.13 0.04 -1.21 0.02 0.00 0.00 175.26 174.40 1wuj s GLU 337 N -0.30 3.58 0.34 1.61 2.02 0.30 -0.27 118.70 125.98 1wuj s GLU 337 Ca 0.01 -0.52 -0.14 0.00 0.02 0.00 0.00 54.97 54.34 1wuj s GLU 337 Cb -0.03 -3.25 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 1wuj s GLU 337 CO -0.00 -0.20 0.75 -1.01 0.02 0.00 0.00 175.26 174.82 1wuj s HIS 338 N 1.58 3.39 0.00 1.61 3.76 -0.22 -1.64 115.29 123.78 1wuj s HIS 338 Ca 0.06 1.19 0.00 0.00 -0.15 0.00 0.00 55.06 56.17 1wuj s HIS 338 Cb -0.15 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 31.01 1wuj s HIS 338 CO 0.02 0.04 0.28 1.33 -0.85 0.00 0.00 174.74 175.57 1wuj n VAL 339 N -0.57 0.00 -0.08 -0.90 0.24 -1.26 -0.98 118.33 114.77 1wuj n VAL 339 Ca 0.03 -0.32 0.11 0.00 -2.04 0.00 0.00 64.34 62.13 1wuj n VAL 339 Cb 0.53 1.32 0.49 0.00 -1.47 0.00 0.00 33.84 34.71 1wuj n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wuj h ARG 340 N 0.00 0.41 -0.31 7.34 9.65 -1.76 -0.95 114.38 128.77 1wuj h ARG 340 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1wuj h ARG 340 Cb 0.16 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1wuj h ARG 340 CO 0.00 0.27 0.00 0.72 2.80 0.00 0.00 179.97 183.76 1wuj n HIS 341 N -4.47 1.07 -4.36 2.20 8.25 -1.26 -4.64 115.22 112.01 1wuj n HIS 341 Ca 0.10 -0.84 -0.24 0.00 -0.26 0.00 0.00 57.72 56.48 1wuj n HIS 341 Cb 0.36 -0.32 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 1wuj n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wuj s SER 342 N -1.73 4.13 -1.38 0.41 0.01 -0.36 -1.46 113.70 113.32 1wuj s SER 342 Ca 0.43 -0.94 -0.06 0.00 1.31 0.00 0.00 55.95 56.68 1wuj s SER 342 Cb 0.34 -0.55 0.08 0.00 0.21 0.00 0.00 66.02 66.10 1wuj s SER 342 CO 0.10 -0.15 2.49 0.79 0.41 0.00 0.00 173.24 176.89 1wuj n TRP 343 N -0.88 2.57 -4.27 2.43 8.01 -0.51 -4.82 117.44 119.98 1wuj n TRP 343 Ca -0.05 -2.88 -0.15 0.00 -1.31 0.00 0.00 57.50 53.12 1wuj n TRP 343 Cb 0.61 -1.97 -0.10 0.00 -2.01 0.00 0.00 31.31 27.84 1wuj n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1wuj s TYR 344 N -0.46 1.31 0.23 -5.99 1.51 -1.22 -0.63 117.35 112.10 1wuj s TYR 344 Ca 0.57 -0.96 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1wuj s TYR 344 Cb 0.18 -0.74 -0.09 0.00 -0.11 0.00 0.00 41.96 41.20 1wuj s TYR 344 CO -0.09 -0.13 1.37 -1.21 -1.11 0.00 0.00 175.55 174.39 1wuj s GLU 345 N -3.88 4.33 2.90 -0.62 2.02 0.16 -4.65 118.70 118.96 1wuj s GLU 345 Ca 0.24 2.18 0.00 0.00 0.02 0.00 0.00 54.97 57.41 1wuj s GLU 345 Cb 0.06 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1wuj s GLU 345 CO 0.05 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1wuj n GLY 346 N 2.22 -0.29 0.02 -1.39 0.00 -1.26 -4.64 105.19 99.85 1wuj n GLY 346 Ca 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1wuj n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wuj n ALA 347 N 3.76 1.04 -2.65 4.61 0.00 -1.26 -4.29 120.51 121.72 1wuj n ALA 347 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 1wuj n ALA 347 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 1wuj n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wuj s GLU 348 N 0.00 4.18 0.49 0.00 2.12 -1.26 -4.36 118.70 119.86 1wuj s GLU 348 Ca 0.00 0.52 -0.20 0.00 0.36 0.00 0.00 54.97 55.65 1wuj s GLU 348 Cb 0.00 -3.59 -0.08 0.00 0.26 0.00 0.00 34.13 30.72 1wuj s GLU 348 CO 0.00 -0.25 1.07 0.00 -0.54 0.00 0.00 175.26 175.54 1wuj s ALA 349 N 1.97 2.84 -0.01 6.30 0.00 -1.26 -4.50 121.76 127.10 1wuj s ALA 349 Ca 0.26 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1wuj s ALA 349 Cb -0.16 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1wuj s ALA 349 CO 0.10 -0.46 -0.07 1.03 0.00 0.00 0.00 175.76 176.35 1wuj s ARG 350 N -3.16 0.62 0.32 0.00 1.81 -0.65 -4.86 118.95 113.04 1wuj s ARG 350 Ca 0.68 -0.25 -0.29 0.00 -1.72 0.00 0.00 55.73 54.15 1wuj s ARG 350 Cb -0.20 -0.60 -0.11 0.00 -0.45 0.00 0.00 34.95 33.59 1wuj s ARG 350 CO 0.23 0.14 1.45 -1.58 -0.68 0.00 0.00 175.30 174.86 1wuj s HIS 351 N -0.09 2.83 0.56 -0.53 5.65 -1.26 -0.53 115.29 121.92 1wuj s HIS 351 Ca 0.02 1.14 0.34 0.00 0.25 0.00 0.00 55.06 56.81 1wuj s HIS 351 Cb -0.04 -3.89 1.93 0.00 -1.18 0.00 0.00 32.58 29.40 1wuj s HIS 351 CO -0.00 -2.72 2.25 -1.00 -0.65 0.00 0.00 174.74 172.62 1wuj h PRO 352 N 3.88 0.00 0.00 2.88 0.13 -1.95 0.22 132.00 137.16 1wuj h PRO 352 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wuj h PRO 352 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wuj h PRO 352 CO 0.70 0.02 0.00 0.91 -0.23 0.00 0.00 178.00 179.40 1wuj n TRP 353 N -3.53 0.61 -1.77 1.56 8.01 -1.26 -2.08 117.44 118.99 1wuj n TRP 353 Ca -0.03 0.25 0.00 0.00 -1.31 0.00 0.00 57.50 56.42 1wuj n TRP 353 Cb 0.12 -0.91 0.16 0.00 -2.01 0.00 0.00 31.31 28.67 1wuj n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1wuj n LYS 354 N -2.07 1.86 -1.44 -0.99 5.02 0.72 -4.93 118.16 116.34 1wuj n LYS 354 Ca 0.02 -3.38 -0.31 0.00 -2.02 0.00 0.00 58.31 52.61 1wuj n LYS 354 Cb 0.18 -1.63 0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1wuj n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wuj s GLY 355 N -3.23 1.67 -0.01 0.72 0.00 -0.83 -4.66 107.32 100.98 1wuj s GLY 355 Ca 0.40 0.16 0.01 0.00 0.00 0.00 0.00 44.72 45.29 1wuj s GLY 355 CO -0.06 0.49 -0.04 1.20 0.00 0.00 0.00 173.10 174.69 1wuj s GLN 356 N -4.98 0.39 -0.44 2.90 -0.21 -1.26 -5.03 119.66 111.02 1wuj s GLN 356 Ca 0.59 -0.12 0.02 0.00 0.02 0.00 0.00 55.36 55.87 1wuj s GLN 356 Cb -0.15 -0.40 0.14 0.00 1.00 0.00 0.00 33.01 33.60 1wuj s GLN 356 CO 0.55 0.05 0.26 0.99 -2.12 0.00 0.00 175.29 175.03 1wuj s THR 357 N 0.13 1.12 -0.61 -0.19 2.01 -1.26 -5.05 115.64 111.79 1wuj s THR 357 Ca -0.01 -2.52 0.04 0.00 0.31 0.00 0.00 61.69 59.51 1wuj s THR 357 Cb -0.04 -1.78 0.15 0.00 0.01 0.00 0.00 72.50 70.83 1wuj s THR 357 CO -0.00 -0.97 0.39 -1.10 -0.69 0.00 0.00 174.62 172.25 1wuj s GLN 358 N 0.33 2.17 0.42 4.92 -0.21 -1.26 -4.87 119.66 121.16 1wuj s GLN 358 Ca 0.20 -2.98 -0.26 0.00 0.02 0.00 0.00 55.36 52.34 1wuj s GLN 358 Cb -0.19 -3.25 -0.09 0.00 1.00 0.00 0.00 33.01 30.48 1wuj s GLN 358 CO -0.03 -1.22 1.45 -1.25 -2.12 0.00 0.00 175.29 172.11 1wuj s PRO 359 N -0.90 3.84 -0.30 2.91 0.04 -1.26 -0.66 135.00 138.67 1wuj s PRO 359 Ca 0.22 2.47 0.05 0.00 0.04 0.00 0.00 61.00 63.78 1wuj s PRO 359 Cb -0.13 -2.77 0.19 0.00 0.04 0.00 0.00 34.50 31.83 1wuj s PRO 359 CO -0.10 -0.71 0.54 0.21 0.04 0.00 0.00 177.00 176.98 1wuj s LYS 360 N -2.32 0.53 0.12 4.56 2.20 0.20 -4.67 119.74 120.36 1wuj s LYS 360 Ca 0.58 0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 56.32 1wuj s LYS 360 Cb -0.45 0.09 -0.07 0.00 -1.51 0.00 0.00 37.83 35.90 1wuj s LYS 360 CO 0.59 -1.05 0.82 -0.47 -0.36 0.00 0.00 175.35 174.87 1wuj s TYR 361 N 2.71 3.84 0.00 4.03 5.04 -1.26 -3.45 117.35 128.26 1wuj s TYR 361 Ca 0.10 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 1wuj s TYR 361 Cb -0.10 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.35 1wuj s TYR 361 CO -0.26 0.38 0.68 0.25 -1.34 0.00 0.00 175.55 175.26 1wuj n THR 362 N 2.18 0.46 -0.65 4.34 -2.24 -1.26 -5.10 114.28 112.01 1wuj n THR 362 Ca -0.03 -0.55 0.08 0.00 -2.27 0.00 0.00 64.05 61.28 1wuj n THR 362 Cb 0.49 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1wuj n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wuj n ASP 363 N -0.23 -3.87 -4.62 3.42 4.64 -1.26 -3.62 116.55 111.00 1wuj n ASP 363 Ca 0.00 0.40 -0.43 0.00 -1.38 0.00 0.00 54.79 53.38 1wuj n ASP 363 Cb 0.27 -2.05 -0.03 0.00 -1.04 0.00 0.00 41.12 38.27 1wuj n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1wuj s LEU 364 N -5.49 3.85 -0.31 -2.67 1.43 -1.26 -1.49 118.68 112.74 1wuj s LEU 364 Ca 0.00 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1wuj s LEU 364 Cb 0.00 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1wuj s LEU 364 CO 0.00 -1.54 0.00 1.41 0.23 0.00 0.00 176.35 176.45 1wuj n HIS 365 N 9.74 0.00 -2.10 0.29 8.25 0.95 -4.98 115.22 127.37 1wuj n HIS 365 Ca 0.24 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 1wuj n HIS 365 Cb 0.44 -1.18 -0.03 0.00 1.12 0.00 0.00 29.99 30.34 1wuj n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1wuj s GLY 366 N -2.28 1.69 -1.40 -1.41 0.00 -0.56 -2.23 107.32 101.13 1wuj s GLY 366 Ca 0.00 0.98 -0.03 0.00 0.00 0.00 0.00 44.72 45.67 1wuj s GLY 366 CO 0.00 2.73 0.25 1.34 0.00 0.00 0.00 173.10 177.42 1wuj n ASP 367 N 5.84 -4.90 -1.78 1.64 4.64 -1.26 -1.79 116.55 118.94 1wuj n ASP 367 Ca 0.15 -0.09 -0.16 0.00 -1.38 0.00 0.00 54.79 53.31 1wuj n ASP 367 Cb 0.43 -4.06 -0.01 0.00 -1.04 0.00 0.00 41.12 36.43 1wuj n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1wuj n ASP 368 N -2.13 -4.79 -4.38 1.67 4.64 -0.95 -4.92 116.55 105.69 1wuj n ASP 368 Ca -0.14 0.02 -0.32 0.00 -1.38 0.00 0.00 54.79 52.97 1wuj n ASP 368 Cb 0.62 -3.89 -0.15 0.00 -1.04 0.00 0.00 41.12 36.66 1wuj n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1wuj s ARG 369 N -4.68 2.54 0.00 -0.67 0.52 -0.74 -4.43 118.95 111.49 1wuj s ARG 369 Ca 0.00 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1wuj s ARG 369 Cb 0.00 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.18 1wuj s ARG 369 CO 0.00 0.51 0.57 2.48 0.02 0.00 0.00 175.30 178.88 1wuj n TYR 370 N 2.63 0.00 -3.61 -0.53 4.11 -0.53 -0.04 117.16 119.19 1wuj n TYR 370 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.57 1wuj n TYR 370 Cb 0.52 0.10 -0.07 0.00 -0.00 0.00 0.00 39.34 39.89 1wuj n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wuj s SER 371 N -0.32 -0.46 0.00 9.48 0.15 -1.24 -4.20 113.70 117.12 1wuj s SER 371 Ca 0.00 0.38 0.28 0.00 0.70 0.00 0.00 55.95 57.31 1wuj s SER 371 Cb 0.00 0.46 1.06 0.00 -1.71 0.00 0.00 66.02 65.83 1wuj s SER 371 CO 0.00 -0.59 1.80 0.79 1.20 0.00 0.00 173.24 176.44 1wuj n TRP 372 N 0.87 0.00 -2.70 3.44 7.02 -0.61 -1.42 117.44 124.04 1wuj n TRP 372 Ca -0.20 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.90 1wuj n TRP 372 Cb 0.58 -0.42 -0.06 0.00 -2.42 0.00 0.00 31.31 28.98 1wuj n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1wuj s MET 373 N -2.98 4.60 0.90 -0.99 -1.94 -1.26 -4.81 119.30 112.83 1wuj s MET 373 Ca 0.14 1.45 -0.12 0.00 -1.71 0.00 0.00 55.69 55.45 1wuj s MET 373 Cb 0.19 -2.93 0.13 0.00 2.01 0.00 0.00 34.83 34.23 1wuj s MET 373 CO 0.57 0.27 1.11 0.15 -0.01 0.00 0.00 175.02 177.12 1wuj s LYS 374 N -1.82 1.23 -0.52 2.03 1.02 -1.26 -4.45 119.74 115.97 1wuj s LYS 374 Ca 0.48 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.95 1wuj s LYS 374 Cb -0.22 -1.83 0.13 0.00 -0.52 0.00 0.00 37.83 35.39 1wuj s LYS 374 CO 0.28 -2.17 0.29 0.00 -0.92 0.00 0.00 175.35 172.83 1wuj s ALA 375 N -3.15 3.33 0.30 5.17 0.00 -0.15 -4.25 121.76 123.01 1wuj s ALA 375 Ca 0.63 -3.04 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 1wuj s ALA 375 Cb -0.16 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.48 1wuj s ALA 375 CO 0.55 -1.97 1.20 -2.14 0.00 0.00 0.00 175.76 173.40 1wuj s PRO 376 N 0.22 4.50 0.01 0.00 0.02 -1.26 -1.06 135.00 137.43 1wuj s PRO 376 Ca 0.15 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.20 1wuj s PRO 376 Cb -0.22 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 1wuj s PRO 376 CO -0.03 0.01 -0.11 1.03 -0.33 0.00 0.00 177.00 177.57 1wuj s ARG 377 N -1.52 0.85 -0.27 5.54 1.81 0.63 -4.65 118.95 121.34 1wuj s ARG 377 Ca 0.47 -0.48 -0.04 0.00 -1.72 0.00 0.00 55.73 53.96 1wuj s ARG 377 Cb -0.36 -0.82 0.01 0.00 -0.45 0.00 0.00 34.95 33.34 1wuj s ARG 377 CO 0.46 0.22 0.01 -0.47 -0.68 0.00 0.00 175.30 174.84 1wuj s TYR 378 N -0.44 3.09 -1.38 -0.53 6.14 -0.41 -1.62 117.35 122.20 1wuj s TYR 378 Ca 0.03 -1.19 -0.10 0.00 0.64 0.00 0.00 57.07 56.45 1wuj s TYR 378 Cb -0.05 -2.16 0.07 0.00 0.42 0.00 0.00 41.96 40.24 1wuj s TYR 378 CO 0.00 -0.63 0.59 -1.33 0.64 0.00 0.00 175.55 174.82 1wuj n MET 379 N 4.78 -3.86 -0.96 4.97 2.81 -0.70 -1.01 117.12 123.14 1wuj n MET 379 Ca -0.16 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1wuj n MET 379 Cb 0.48 -5.30 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 1wuj n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wuj n GLY 380 N -1.30 0.86 3.78 3.03 0.00 -1.26 -5.03 105.19 105.26 1wuj n GLY 380 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1wuj n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wuj s GLU 381 N -0.09 2.93 0.05 1.61 0.41 -0.18 -4.96 118.70 118.46 1wuj s GLU 381 Ca 0.00 -0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 53.61 1wuj s GLU 381 Cb 0.00 -2.76 -0.04 0.00 -1.78 0.00 0.00 34.13 29.55 1wuj s GLU 381 CO 0.00 0.58 1.01 -1.25 -0.49 0.00 0.00 175.26 175.12 1wuj s PRO 382 N -2.28 4.58 -0.13 0.39 0.04 -1.26 -1.28 135.00 135.06 1wuj s PRO 382 Ca 0.28 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1wuj s PRO 382 Cb -0.12 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.02 1wuj s PRO 382 CO 0.21 -0.00 -0.16 -1.64 0.04 0.00 0.00 177.00 175.44 1wuj s MET 383 N 0.67 2.42 0.27 4.56 -1.94 -1.26 -4.43 119.30 119.58 1wuj s MET 383 Ca 0.51 -0.62 -0.29 0.00 -1.71 0.00 0.00 55.69 53.58 1wuj s MET 383 Cb -0.23 -2.09 -0.09 0.00 2.01 0.00 0.00 34.83 34.42 1wuj s MET 383 CO 0.29 -0.12 1.21 -2.00 -0.01 0.00 0.00 175.02 174.39 1wuj s GLU 384 N 1.15 4.49 0.24 2.03 2.12 0.28 -4.27 118.70 124.74 1wuj s GLU 384 Ca -0.02 1.98 0.04 0.00 0.36 0.00 0.00 54.97 57.33 1wuj s GLU 384 Cb -0.14 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1wuj s GLU 384 CO -0.05 -0.02 -0.00 -0.08 -0.54 0.00 0.00 175.26 174.56 1wuj s THR 385 N -0.82 1.07 0.00 -1.70 -1.32 -1.26 -1.35 115.64 110.26 1wuj s THR 385 Ca 0.49 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1wuj s THR 385 Cb -0.35 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 1wuj s THR 385 CO 0.44 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 1wuj n GLY 386 N -0.44 0.02 0.35 6.08 0.00 -1.07 -4.68 105.19 105.44 1wuj n GLY 386 Ca -0.05 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.76 1wuj n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wuj h PRO 387 N 4.76 0.94 -0.72 1.61 0.11 -1.83 -0.08 132.00 136.80 1wuj h PRO 387 Ca 0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1wuj h PRO 387 Cb 0.00 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 1wuj h PRO 387 CO 0.00 0.62 0.30 1.25 -0.21 0.00 0.00 178.00 179.96 1wuj h LEU 388 N 0.97 0.98 -0.43 2.35 5.85 -1.86 -0.36 115.31 122.81 1wuj h LEU 388 Ca 0.47 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1wuj h LEU 388 Cb 0.43 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1wuj h LEU 388 CO -0.25 0.87 0.16 0.00 -0.34 0.00 0.00 178.44 178.88 1wuj h ALA 389 N 1.15 0.56 -0.43 1.25 0.00 -1.57 -0.99 119.26 119.23 1wuj h ALA 389 Ca 0.24 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1wuj h ALA 389 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wuj h ALA 389 CO -0.02 0.18 0.09 0.37 0.00 0.00 0.00 179.25 179.86 1wuj h GLN 390 N 0.56 0.71 -0.01 0.00 4.15 -0.79 -1.40 115.11 118.32 1wuj h GLN 390 Ca 0.14 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1wuj h GLN 390 Cb 0.21 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1wuj h GLN 390 CO -0.01 0.72 -0.00 0.28 -1.93 0.00 0.00 178.83 177.89 1wuj h VAL 391 N 0.57 1.30 -0.58 2.39 2.07 -1.06 -0.24 116.25 120.70 1wuj h VAL 391 Ca 0.13 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1wuj h VAL 391 Cb 0.35 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1wuj h VAL 391 CO 0.00 0.23 0.19 -0.07 0.02 0.00 0.00 177.57 177.95 1wuj h LEU 392 N -0.34 0.83 -0.19 2.57 3.38 -1.17 0.12 115.31 120.52 1wuj h LEU 392 Ca 0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1wuj h LEU 392 Cb 0.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wuj h LEU 392 CO 0.00 0.81 -0.09 0.40 0.09 0.00 0.00 178.44 179.65 1wuj h ILE 393 N 0.81 1.31 -0.65 1.22 2.04 -1.29 -1.65 117.51 119.30 1wuj h ILE 393 Ca 0.19 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1wuj h ILE 393 Cb 0.26 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1wuj h ILE 393 CO -0.01 0.35 0.41 0.00 0.00 0.00 0.00 178.15 178.89 1wuj h ALA 394 N 0.69 0.85 -0.48 1.87 0.00 -0.85 -0.54 119.26 120.80 1wuj h ALA 394 Ca 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1wuj h ALA 394 Cb 0.58 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1wuj h ALA 394 CO 0.03 0.17 -0.17 -0.92 0.00 0.00 0.00 179.25 178.35 1wuj h TYR 395 N 0.80 -0.41 0.00 0.00 3.20 -0.68 -0.89 116.97 119.00 1wuj h TYR 395 Ca 0.26 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1wuj h TYR 395 Cb 0.01 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1wuj h TYR 395 CO -0.05 -0.26 0.00 0.77 -1.64 0.00 0.00 178.16 176.98 1wuj h SER 396 N -0.06 0.00 -0.05 -2.11 0.02 -0.52 -0.44 113.55 110.38 1wuj h SER 396 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1wuj h SER 396 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1wuj h SER 396 CO -0.53 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.16 1wuj n GLN 397 N -2.84 1.49 -0.59 3.45 6.02 -0.28 -4.94 117.38 119.69 1wuj n GLN 397 Ca 0.02 -0.72 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 1wuj n GLN 397 Cb 0.32 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1wuj n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wuj n GLY 398 N 1.09 0.68 3.59 1.08 0.00 -0.17 -4.98 105.19 106.48 1wuj n GLY 398 Ca 0.19 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 1wuj n GLY 398 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wuj n HIS 399 N -2.59 2.03 -0.07 1.61 -0.00 -0.41 -4.85 115.22 110.95 1wuj n HIS 399 Ca 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 57.72 57.60 1wuj n HIS 399 Cb 0.00 -2.69 0.15 0.00 -0.00 0.00 0.00 29.99 27.44 1wuj n HIS 399 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wuj h PRO 400 N 13.01 0.70 -0.24 1.57 0.11 -1.93 0.20 132.00 145.42 1wuj h PRO 400 Ca -0.41 -0.24 -0.12 0.00 0.11 0.00 0.00 66.00 65.35 1wuj h PRO 400 Cb 1.26 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wuj h PRO 400 CO 0.97 0.82 -0.30 0.87 -0.21 0.00 0.00 178.00 180.14 1wuj h LYS 401 N 0.63 0.63 -0.42 1.05 1.79 -1.99 -1.76 116.57 116.50 1wuj h LYS 401 Ca 0.10 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 1wuj h LYS 401 Cb 0.61 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 1wuj h LYS 401 CO 0.04 0.96 0.21 0.28 -1.08 0.00 0.00 179.45 179.87 1wuj h VAL 402 N 0.33 1.17 -0.37 0.50 2.07 -1.94 -1.93 116.25 116.09 1wuj h VAL 402 Ca 0.03 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1wuj h VAL 402 Cb 0.88 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1wuj h VAL 402 CO 0.07 0.18 0.17 0.50 0.02 0.00 0.00 177.57 178.51 1wuj h LYS 403 N 0.54 0.53 -0.28 1.57 3.64 -0.86 -0.12 116.57 121.59 1wuj h LYS 403 Ca 0.15 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1wuj h LYS 403 Cb 0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1wuj h LYS 403 CO -0.02 0.48 0.16 0.00 -2.27 0.00 0.00 179.45 177.80 1wuj h ALA 404 N 1.02 0.35 -0.17 5.00 0.00 -1.12 0.13 119.26 124.47 1wuj h ALA 404 Ca 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1wuj h ALA 404 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wuj h ALA 404 CO -0.02 -0.22 -0.21 0.28 0.00 0.00 0.00 179.25 179.09 1wuj h VAL 405 N 0.33 1.34 -0.44 0.00 2.07 -1.24 -2.39 116.25 115.92 1wuj h VAL 405 Ca 0.11 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1wuj h VAL 405 Cb 0.00 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1wuj h VAL 405 CO -0.05 0.42 0.29 0.74 0.02 0.00 0.00 177.57 178.99 1wuj h THR 406 N 0.09 1.11 -0.85 2.57 2.02 -0.88 -0.85 112.91 116.12 1wuj h THR 406 Ca 0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1wuj h THR 406 Cb 0.77 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1wuj h THR 406 CO 0.05 0.11 0.49 0.44 0.37 0.00 0.00 175.52 176.98 1wuj h ASP 407 N 0.60 1.03 -0.39 4.18 3.32 -0.99 0.05 116.42 124.22 1wuj h ASP 407 Ca 0.16 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1wuj h ASP 407 Cb -0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 1wuj h ASP 407 CO -0.04 0.81 -0.16 0.00 -1.72 0.00 0.00 179.24 178.14 1wuj h ALA 408 N 1.36 0.87 -0.36 3.45 0.00 -0.87 -0.44 119.26 123.27 1wuj h ALA 408 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wuj h ALA 408 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wuj h ALA 408 CO -0.05 0.64 0.12 0.28 0.00 0.00 0.00 179.25 180.23 1wuj h VAL 409 N 0.76 1.21 -0.15 0.00 2.07 -0.77 0.54 116.25 119.90 1wuj h VAL 409 Ca 0.12 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1wuj h VAL 409 Cb 0.68 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1wuj h VAL 409 CO 0.05 0.23 0.07 -0.07 0.02 0.00 0.00 177.57 177.87 1wuj h LEU 410 N 0.44 0.10 -0.73 2.57 3.38 -0.80 -1.46 115.31 118.81 1wuj h LEU 410 Ca 0.12 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1wuj h LEU 410 Cb 0.24 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1wuj h LEU 410 CO -0.01 0.08 0.31 0.00 0.09 0.00 0.00 178.44 178.92 1wuj h ALA 411 N 1.08 0.94 -0.73 1.53 0.00 -0.98 -0.35 119.26 120.75 1wuj h ALA 411 Ca 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1wuj h ALA 411 Cb 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1wuj h ALA 411 CO -0.05 0.55 0.24 -0.22 0.00 0.00 0.00 179.25 179.77 1wuj h LYS 412 N 1.03 1.13 0.00 0.00 1.63 -0.55 -2.53 116.57 117.29 1wuj h LYS 412 Ca 0.24 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1wuj h LYS 412 Cb 0.18 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1wuj h LYS 412 CO -0.02 0.96 0.00 1.28 -3.45 0.00 0.00 179.45 178.21 1wuj n LEU 413 N -4.26 0.05 -1.67 5.20 4.77 -0.58 -4.91 117.00 115.61 1wuj n LEU 413 Ca 0.06 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1wuj n LEU 413 Cb 0.22 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1wuj n LEU 413 CO 0.41 -0.05 -0.05 0.61 -1.33 0.00 0.00 177.39 176.98 1wuj n GLY 414 N 1.25 -0.05 3.37 -0.72 0.00 -0.20 -5.01 105.19 103.82 1wuj n GLY 414 Ca 0.06 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1wuj n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wuj s VAL 415 N -2.79 1.90 0.69 1.61 -7.23 -0.82 -5.04 120.40 108.72 1wuj s VAL 415 Ca 0.11 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.08 1wuj s VAL 415 Cb -0.05 -2.07 0.12 0.00 0.56 0.00 0.00 36.38 34.94 1wuj s VAL 415 CO 0.14 -0.52 0.96 -0.83 -0.31 0.00 0.00 175.10 174.54 1wuj s GLY 416 N -3.27 1.75 0.49 2.32 0.00 -1.26 -4.55 107.32 102.81 1wuj s GLY 416 Ca 0.23 -1.82 0.27 0.00 0.00 0.00 0.00 44.72 43.41 1wuj s GLY 416 CO 0.08 -1.27 1.94 -0.56 0.00 0.00 0.00 173.10 173.30 1wuj h PRO 417 N -0.40 0.00 -0.05 2.90 0.13 -2.01 -1.10 132.00 131.47 1wuj h PRO 417 Ca -0.35 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1wuj h PRO 417 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wuj h PRO 417 CO 0.40 0.15 0.07 0.93 -0.23 0.00 0.00 178.00 179.32 1wuj h GLU 418 N 0.00 0.00 0.00 0.86 3.07 -2.01 -0.87 114.58 115.63 1wuj h GLU 418 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1wuj h GLU 418 Cb 0.56 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1wuj h GLU 418 CO 0.02 0.00 -0.02 0.00 -1.40 0.00 0.00 179.01 177.61 1wuj h ALA 419 N 1.92 1.26 0.00 3.43 0.00 -1.53 -2.65 119.26 121.69 1wuj h ALA 419 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wuj h ALA 419 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wuj h ALA 419 CO -0.00 0.03 0.00 -0.07 0.00 0.00 0.00 179.25 179.21 1wuj h LEU 420 N 0.00 0.00 -6.05 0.00 3.38 -1.34 -3.34 115.31 107.96 1wuj h LEU 420 Ca -0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 1wuj h LEU 420 Cb 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.73 1wuj h LEU 420 CO 0.00 0.00 2.42 0.49 0.09 0.00 0.00 178.44 181.45 1wuj n PHE 421 N -2.50 2.87 -3.77 1.13 3.72 -1.00 -3.81 117.46 114.09 1wuj n PHE 421 Ca 0.03 -2.84 -0.02 0.00 -0.05 0.00 0.00 57.45 54.56 1wuj n PHE 421 Cb 0.33 -2.04 -0.00 0.00 -0.94 0.00 0.00 39.48 36.83 1wuj n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wuj s SER 422 N 1.12 -0.10 0.19 4.37 1.04 -1.26 -3.76 113.70 115.30 1wuj s SER 422 Ca 0.47 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 1wuj s SER 422 Cb 0.13 0.42 0.15 0.00 0.10 0.00 0.00 66.02 66.82 1wuj s SER 422 CO -0.04 -0.80 1.80 0.74 0.98 0.00 0.00 173.24 175.93 1wuj h THR 423 N 2.00 0.99 -0.34 2.02 2.02 -0.57 0.63 112.91 119.67 1wuj h THR 423 Ca -0.26 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1wuj h THR 423 Cb 1.22 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1wuj h THR 423 CO 0.29 0.11 0.17 0.25 0.37 0.00 0.00 175.52 176.71 1wuj h LEU 424 N 0.59 0.43 -0.44 2.58 6.46 -1.70 -2.16 115.31 121.07 1wuj h LEU 424 Ca 0.24 -0.11 0.08 0.00 -0.12 0.00 0.00 57.88 57.97 1wuj h LEU 424 Cb 0.10 -0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 39.83 1wuj h LEU 424 CO -0.14 0.41 -0.37 1.23 -0.62 0.00 0.00 178.44 178.95 1wuj h GLY 425 N 0.41 -0.34 1.00 3.75 0.00 -1.60 0.78 103.07 107.07 1wuj h GLY 425 Ca 0.12 0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 1wuj h GLY 425 CO -0.02 -0.20 0.41 -0.09 0.00 0.00 0.00 176.54 176.65 1wuj h ARG 426 N -0.26 0.97 -0.43 4.80 2.43 -0.75 0.20 114.38 121.34 1wuj h ARG 426 Ca 0.17 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1wuj h ARG 426 Cb 0.56 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1wuj h ARG 426 CO -0.58 0.70 -0.05 1.15 -1.51 0.00 0.00 179.97 179.68 1wuj h THR 427 N 0.96 1.27 -0.75 0.20 2.02 -0.86 -1.61 112.91 114.14 1wuj h THR 427 Ca 0.25 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 1wuj h THR 427 Cb -0.01 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1wuj h THR 427 CO -0.04 0.38 0.35 0.00 0.37 0.00 0.00 175.52 176.58 1wuj h ALA 428 N 0.88 0.97 -0.61 6.16 0.00 -0.59 -2.76 119.26 123.30 1wuj h ALA 428 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wuj h ALA 428 Cb 0.57 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1wuj h ALA 428 CO 0.03 0.55 0.39 0.00 0.00 0.00 0.00 179.25 180.22 1wuj h ALA 429 N 1.18 1.54 -0.79 0.00 0.00 -0.24 0.35 119.26 121.29 1wuj h ALA 429 Ca 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wuj h ALA 429 Cb 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1wuj h ALA 429 CO -0.03 0.42 0.49 -0.09 0.00 0.00 0.00 179.25 180.04 1wuj h ARG 430 N 0.83 1.07 -0.36 0.00 2.43 -1.02 -0.45 114.38 116.89 1wuj h ARG 430 Ca 0.22 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1wuj h ARG 430 Cb -0.08 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 1wuj h ARG 430 CO -0.05 0.74 0.04 0.78 -1.51 0.00 0.00 179.97 179.97 1wuj h GLY 431 N 1.08 0.65 0.51 2.80 0.00 -1.16 -1.89 103.07 105.07 1wuj h GLY 431 Ca 0.29 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.22 1wuj h GLY 431 CO -0.06 0.41 -0.03 -2.22 0.00 0.00 0.00 176.54 174.65 1wuj h ILE 432 N 0.43 0.76 -0.71 2.60 2.04 -0.61 -0.89 117.51 121.13 1wuj h ILE 432 Ca 0.11 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 1wuj h ILE 432 Cb 0.39 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1wuj h ILE 432 CO 0.01 0.01 0.36 -0.08 0.00 0.00 0.00 178.15 178.45 1wuj h GLU 433 N 0.05 0.99 -0.38 2.37 4.81 -1.05 -1.01 114.58 120.35 1wuj h GLU 433 Ca 0.14 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1wuj h GLU 433 Cb 0.19 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1wuj h GLU 433 CO -0.25 0.75 0.23 1.15 -0.73 0.00 0.00 179.01 180.16 1wuj h THR 434 N 0.99 1.12 -0.38 0.32 2.02 -0.57 0.73 112.91 117.14 1wuj h THR 434 Ca 0.25 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1wuj h THR 434 Cb 0.06 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1wuj h THR 434 CO -0.04 0.12 0.11 0.00 0.37 0.00 0.00 175.52 176.08 1wuj h ALA 435 N 1.11 0.49 -0.38 6.16 0.00 -0.74 0.14 119.26 126.04 1wuj h ALA 435 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1wuj h ALA 435 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1wuj h ALA 435 CO -0.03 0.15 0.08 0.28 0.00 0.00 0.00 179.25 179.73 1wuj h VAL 436 N 0.46 1.23 -0.24 0.00 2.07 -1.04 -2.49 116.25 116.23 1wuj h VAL 436 Ca 0.12 -0.80 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1wuj h VAL 436 Cb 0.28 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1wuj h VAL 436 CO -0.00 0.28 -0.36 0.40 0.02 0.00 0.00 177.57 177.91 1wuj h ILE 437 N 0.47 1.29 -0.96 4.57 2.04 -0.75 -1.25 117.51 122.93 1wuj h ILE 437 Ca 0.12 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.52 1wuj h ILE 437 Cb 0.33 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1wuj h ILE 437 CO 0.00 0.47 0.63 0.00 0.00 0.00 0.00 178.15 179.25 1wuj h ALA 438 N 1.18 1.24 -0.31 1.87 0.00 -0.51 -0.04 119.26 122.68 1wuj h ALA 438 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1wuj h ALA 438 Cb 0.83 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wuj h ALA 438 CO 0.07 0.57 -0.29 1.49 0.00 0.00 0.00 179.25 181.09 1wuj h GLU 439 N 1.27 0.74 0.00 0.00 4.81 -1.23 -3.23 114.58 116.94 1wuj h GLU 439 Ca 0.36 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1wuj h GLU 439 Cb -0.09 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1wuj h GLU 439 CO -0.09 1.00 -0.23 -0.92 -0.73 0.00 0.00 179.01 178.04 1wuj h TYR 440 N 0.50 0.00 -0.91 0.92 3.20 -0.58 -1.40 116.97 118.70 1wuj h TYR 440 Ca 0.05 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1wuj h TYR 440 Cb 0.86 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 1wuj h TYR 440 CO 0.07 0.23 0.59 0.28 -1.64 0.00 0.00 178.16 177.69 1wuj h VAL 441 N 0.00 0.91 -0.48 1.81 2.07 -1.04 -0.44 116.25 119.09 1wuj h VAL 441 Ca -0.00 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1wuj h VAL 441 Cb 0.44 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1wuj h VAL 441 CO 0.03 0.15 0.05 1.23 0.02 0.00 0.00 177.57 179.06 1wuj h GLY 442 N 0.84 0.81 0.70 2.17 0.00 -1.36 0.72 103.07 106.96 1wuj h GLY 442 Ca 0.44 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1wuj h GLY 442 CO -0.20 0.47 -0.01 -2.08 0.00 0.00 0.00 176.54 174.71 1wuj h VAL 443 N 0.72 1.28 -0.83 4.60 2.07 -1.14 -1.77 116.25 121.19 1wuj h VAL 443 Ca 0.15 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1wuj h VAL 443 Cb 0.37 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1wuj h VAL 443 CO 0.01 0.25 0.51 0.24 0.02 0.00 0.00 177.57 178.60 1wuj h MET 444 N -0.19 0.93 -0.67 1.57 2.86 -1.01 -0.75 114.93 117.66 1wuj h MET 444 Ca 0.02 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1wuj h MET 444 Cb 0.40 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1wuj h MET 444 CO 0.01 0.61 0.44 1.25 1.06 0.00 0.00 176.91 180.28 1wuj h LEU 445 N 0.95 0.76 -0.63 1.22 5.85 -0.70 0.40 115.31 123.16 1wuj h LEU 445 Ca 0.36 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 1wuj h LEU 445 Cb 0.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1wuj h LEU 445 CO -0.16 0.54 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.87 1wuj h GLN 446 N 0.90 1.07 -0.54 1.25 5.75 -0.98 -0.29 115.11 122.27 1wuj h GLN 446 Ca 0.25 -0.34 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1wuj h GLN 446 Cb -0.08 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 1wuj h GLN 446 CO -0.06 1.05 0.17 0.93 -2.65 0.00 0.00 178.83 178.26 1wuj h GLU 447 N 0.98 0.81 0.12 1.69 5.08 -0.54 0.14 114.58 122.85 1wuj h GLU 447 Ca 0.17 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1wuj h GLU 447 Cb 0.57 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wuj h GLU 447 CO 0.03 0.71 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.77 1wuj h TYR 448 N 0.79 -0.14 -0.79 4.33 -0.00 -0.61 -1.05 116.97 119.50 1wuj h TYR 448 Ca 0.18 -0.00 0.11 0.00 -0.00 0.00 0.00 58.73 59.02 1wuj h TYR 448 Cb 0.24 0.05 -0.08 0.00 -0.00 0.00 0.00 36.73 36.93 1wuj h TYR 448 CO 0.01 0.02 0.41 0.87 -0.00 0.00 0.00 178.16 179.48 1wuj h LYS 449 N -0.29 0.64 -0.76 1.82 1.57 -0.75 -1.30 116.57 117.51 1wuj h LYS 449 Ca -0.02 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1wuj h LYS 449 Cb 0.23 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1wuj h LYS 449 CO 0.03 0.42 0.36 -0.44 -0.57 0.00 0.00 179.45 179.25 1wuj h ASP 450 N 0.66 0.99 -0.50 0.86 3.45 -0.38 -1.33 116.42 120.17 1wuj h ASP 450 Ca 0.40 -0.12 -0.13 0.00 0.43 0.00 0.00 57.03 57.62 1wuj h ASP 450 Cb 0.46 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1wuj h ASP 450 CO -0.30 0.84 -0.20 -1.13 -1.57 0.00 0.00 179.24 176.89 1wuj h ASN 451 N 1.08 1.03 -0.88 6.45 -0.00 -0.32 -2.39 115.58 120.55 1wuj h ASN 451 Ca 0.26 -0.39 -0.02 0.00 -0.00 0.00 0.00 56.30 56.15 1wuj h ASN 451 Cb 0.12 -0.28 -0.04 0.00 -0.00 0.00 0.00 38.32 38.11 1wuj h ASN 451 CO -0.03 1.19 0.46 0.40 -0.00 0.00 0.00 177.43 179.44 1wuj h ILE 452 N 0.87 1.26 0.00 2.57 2.04 -1.01 -2.48 117.51 120.77 1wuj h ILE 452 Ca 0.12 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1wuj h ILE 452 Cb 0.78 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1wuj h ILE 452 CO 0.06 0.30 -0.08 0.00 0.00 0.00 0.00 178.15 178.44 1wuj h ALA 453 N 1.26 1.12 0.00 1.87 0.00 -0.96 -0.27 119.26 122.28 1wuj h ALA 453 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wuj h ALA 453 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wuj h ALA 453 CO -0.04 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.94 1wuj n LYS 454 N -3.36 0.10 0.00 0.00 5.02 -0.93 -4.90 118.16 114.10 1wuj n LYS 454 Ca -0.01 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1wuj n LYS 454 Cb 0.25 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1wuj n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wuj n GLY 455 N 0.95 0.94 3.50 0.72 0.00 -0.11 -5.05 105.19 106.14 1wuj n GLY 455 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1wuj n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wuj s ASP 456 N -2.12 6.25 -0.15 1.61 2.15 -1.13 -4.86 116.67 118.42 1wuj s ASP 456 Ca 0.00 -0.63 0.16 0.00 0.43 0.00 0.00 52.55 52.50 1wuj s ASP 456 Cb 0.00 -2.44 0.49 0.00 -0.30 0.00 0.00 42.92 40.67 1wuj s ASP 456 CO 0.00 -1.39 1.40 -0.46 -0.17 0.00 0.00 175.17 174.55 1wuj n ASN 457 N 7.79 3.74 -4.74 -0.34 2.04 -1.26 -4.23 115.26 118.25 1wuj n ASN 457 Ca -0.00 -2.83 -0.39 0.00 -0.44 0.00 0.00 54.58 50.92 1wuj n ASN 457 Cb 0.47 -0.49 -0.05 0.00 -2.53 0.00 0.00 39.78 37.18 1wuj n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1wuj s VAL 458 N -2.49 4.97 0.00 3.53 1.01 -1.26 -4.96 120.40 121.20 1wuj s VAL 458 Ca 0.39 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1wuj s VAL 458 Cb 0.30 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1wuj s VAL 458 CO 0.10 0.35 0.01 2.30 0.00 0.00 0.00 175.10 177.86 1wuj n ILE 459 N 3.19 0.00 -3.86 2.22 -5.35 -1.26 -4.14 119.36 110.16 1wuj n ILE 459 Ca -0.05 -0.29 -0.12 0.00 -0.27 0.00 0.00 62.75 62.03 1wuj n ILE 459 Cb 0.51 1.01 -0.13 0.00 -1.74 0.00 0.00 39.64 39.29 1wuj n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wuj s ALA 461 N -0.22 2.92 0.66 0.00 0.00 0.08 -4.90 121.76 120.31 1wuj s ALA 461 Ca -0.03 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 1wuj s ALA 461 Cb -0.02 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1wuj s ALA 461 CO 0.00 0.61 1.09 -1.25 0.00 0.00 0.00 175.76 176.22 1wuj s PRO 462 N -1.55 2.83 0.23 0.00 0.04 -1.26 -4.54 135.00 130.75 1wuj s PRO 462 Ca 0.17 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 1wuj s PRO 462 Cb -0.11 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wuj s PRO 462 CO 0.08 -1.21 0.60 1.67 0.04 0.00 0.00 177.00 178.18 1wuj s TRP 463 N -2.49 -0.13 -0.01 0.56 1.48 -1.26 -4.93 118.94 112.17 1wuj s TRP 463 Ca 0.65 -0.25 0.04 0.00 -1.06 0.00 0.00 56.10 55.48 1wuj s TRP 463 Cb -0.19 0.50 -0.01 0.00 -1.16 0.00 0.00 33.47 32.61 1wuj s TRP 463 CO 0.44 -1.04 -0.13 -1.21 -4.06 0.00 0.00 176.95 170.95 1wuj s GLU 464 N -3.90 1.01 -0.28 3.25 2.02 -1.26 -5.12 118.70 114.43 1wuj s GLU 464 Ca 0.11 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1wuj s GLU 464 Cb -0.03 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.23 1wuj s GLU 464 CO 0.01 0.27 1.05 1.41 0.02 0.00 0.00 175.26 178.02 1wuj s MET 465 N -0.34 4.16 0.63 1.61 -2.45 -1.26 -4.84 119.30 116.81 1wuj s MET 465 Ca 0.05 1.19 -0.15 0.00 -1.25 0.00 0.00 55.69 55.54 1wuj s MET 465 Cb -0.05 -3.69 -0.02 0.00 1.25 0.00 0.00 34.83 32.32 1wuj s MET 465 CO -0.00 -0.76 1.07 -1.25 1.05 0.00 0.00 175.02 175.12 1wuj s PRO 466 N 3.41 3.12 0.09 4.11 0.04 -1.26 -4.97 135.00 139.54 1wuj s PRO 466 Ca 0.44 1.20 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 1wuj s PRO 466 Cb -0.14 -2.01 -0.19 0.00 0.04 0.00 0.00 34.50 32.20 1wuj s PRO 466 CO 0.11 -0.97 1.21 0.87 0.04 0.00 0.00 177.00 178.26 1wuj h LYS 467 N 0.12 0.53 -4.77 4.56 1.79 -1.93 -3.37 116.57 113.50 1wuj h LYS 467 Ca -0.46 -0.63 -0.53 0.00 -2.18 0.00 0.00 60.65 56.86 1wuj h LYS 467 Cb 1.22 0.19 -0.33 0.00 -1.58 0.00 0.00 32.23 31.74 1wuj h LYS 467 CO 0.56 1.24 -0.82 -1.14 -1.08 0.00 0.00 179.45 178.22 1wuj s GLN 468 N -3.17 1.71 -0.00 3.15 0.74 -1.26 -0.80 119.66 120.03 1wuj s GLN 468 Ca -0.08 -0.47 -0.28 0.00 0.05 0.00 0.00 55.36 54.58 1wuj s GLN 468 Cb 0.07 -1.43 0.10 0.00 1.10 0.00 0.00 33.01 32.85 1wuj s GLN 468 CO 0.90 0.09 0.85 0.00 -0.55 0.00 0.00 175.29 176.58 1wuj s ALA 469 N 0.45 -1.80 0.04 1.58 0.00 -0.96 -4.98 121.76 116.10 1wuj s ALA 469 Ca -0.11 1.02 0.09 0.00 0.00 0.00 0.00 51.96 52.95 1wuj s ALA 469 Cb -0.14 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1wuj s ALA 469 CO 0.03 -0.64 -0.25 -1.83 0.00 0.00 0.00 175.76 173.07 1wuj s GLU 470 N -2.90 1.68 0.08 0.00 -1.05 -1.26 -0.02 118.70 115.22 1wuj s GLU 470 Ca 0.03 -1.06 -0.08 0.00 -0.15 0.00 0.00 54.97 53.71 1wuj s GLU 470 Cb -0.01 -1.83 -0.01 0.00 -0.44 0.00 0.00 34.13 31.84 1wuj s GLU 470 CO -0.08 0.47 0.17 0.20 0.95 0.00 0.00 175.26 176.97 1wuj s GLY 471 N -1.22 0.13 -0.04 -3.83 0.00 -0.10 -4.44 107.32 97.82 1wuj s GLY 471 Ca 0.10 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 1wuj s GLY 471 CO 0.02 -0.83 0.15 0.54 0.00 0.00 0.00 173.10 172.98 1wuj s VAL 472 N -3.77 0.03 -0.04 1.40 0.11 -1.25 -0.85 120.40 116.03 1wuj s VAL 472 Ca 0.04 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1wuj s VAL 472 Cb 0.05 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1wuj s VAL 472 CO -0.10 -0.12 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.54 1wuj s GLY 473 N -0.39 0.94 -0.10 6.54 0.00 -0.19 -4.24 107.32 109.89 1wuj s GLY 473 Ca -0.05 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 43.98 1wuj s GLY 473 CO 0.01 -0.42 -0.24 -1.36 0.00 0.00 0.00 173.10 171.09 1wuj s PHE 474 N -0.05 2.56 -0.04 1.90 0.40 -1.26 -1.54 117.98 119.95 1wuj s PHE 474 Ca -0.02 -1.03 0.03 0.00 -0.60 0.00 0.00 56.93 55.31 1wuj s PHE 474 Cb -0.11 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.72 1wuj s PHE 474 CO 0.02 -0.41 -0.12 0.08 0.70 0.00 0.00 175.22 175.49 1wuj s VAL 475 N 0.33 1.07 -0.52 -0.44 1.01 -0.21 -4.96 120.40 116.67 1wuj s VAL 475 Ca -0.18 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 1wuj s VAL 475 Cb -0.18 -0.95 0.07 0.00 0.00 0.00 0.00 36.38 35.33 1wuj s VAL 475 CO 0.09 0.33 0.61 0.21 0.00 0.00 0.00 175.10 176.33 1wuj s ASN 476 N 0.32 6.20 0.72 3.32 3.84 -1.21 0.09 114.94 128.23 1wuj s ASN 476 Ca -0.07 -1.14 -0.05 0.00 0.21 0.00 0.00 52.86 51.81 1wuj s ASN 476 Cb -0.12 -2.27 0.10 0.00 -0.55 0.00 0.00 41.25 38.40 1wuj s ASN 476 CO 0.02 -0.91 1.02 0.00 -2.79 0.00 0.00 177.10 174.44 1wuj s ALA 477 N 2.46 3.28 0.60 1.71 0.00 0.40 -4.87 121.76 125.35 1wuj s ALA 477 Ca 0.12 -1.25 0.29 0.00 0.00 0.00 0.00 51.96 51.12 1wuj s ALA 477 Cb -0.22 -2.38 1.53 0.00 0.00 0.00 0.00 23.12 22.05 1wuj s ALA 477 CO 0.09 -1.43 1.93 -1.35 0.00 0.00 0.00 175.76 175.00 1wuj h PRO 478 N -0.64 0.00 -0.19 0.00 0.11 -1.96 -0.67 132.00 128.65 1wuj h PRO 478 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1wuj h PRO 478 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1wuj h PRO 478 CO 0.50 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.83 1wuj n ARG 479 N -3.56 1.91 0.00 1.05 1.74 -1.26 -4.22 116.66 112.32 1wuj n ARG 479 Ca 0.05 -1.83 0.00 0.00 -0.77 0.00 0.00 57.85 55.30 1wuj n ARG 479 Cb 0.55 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1wuj n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wuj n GLY 480 N 1.07 0.49 3.61 -0.13 0.00 -0.26 -2.61 105.19 107.36 1wuj n GLY 480 Ca 0.13 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1wuj n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wuj s GLY 481 N 0.00 1.18 -0.16 -0.02 0.00 -1.26 -0.45 107.32 106.61 1wuj s GLY 481 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 1wuj s GLY 481 CO 0.00 2.76 0.06 -2.27 0.00 0.00 0.00 173.10 173.65 1wuj s LEU 482 N 5.15 3.86 -0.01 0.66 2.96 0.11 -3.39 118.68 128.02 1wuj s LEU 482 Ca 0.61 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1wuj s LEU 482 Cb -0.16 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1wuj s LEU 482 CO 0.29 0.23 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.61 1wuj s SER 483 N 0.02 0.24 -0.08 3.68 1.04 -0.59 -1.05 113.70 116.96 1wuj s SER 483 Ca 0.06 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.50 1wuj s SER 483 Cb -0.12 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1wuj s SER 483 CO 0.01 -0.03 -0.17 -1.00 0.98 0.00 0.00 173.24 173.03 1wuj s HIS 484 N 0.35 2.65 -0.10 5.02 3.76 -0.59 -1.32 115.29 125.07 1wuj s HIS 484 Ca -0.03 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1wuj s HIS 484 Cb -0.05 -1.69 0.02 0.00 1.11 0.00 0.00 32.58 31.96 1wuj s HIS 484 CO -0.01 -0.08 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.12 1wuj s TRP 485 N -0.18 1.50 0.01 1.40 0.52 0.00 -1.02 118.94 121.19 1wuj s TRP 485 Ca -0.01 -0.68 0.08 0.00 0.02 0.00 0.00 56.10 55.51 1wuj s TRP 485 Cb -0.14 -1.18 -0.02 0.00 -1.15 0.00 0.00 33.47 30.98 1wuj s TRP 485 CO 0.03 -0.42 -0.25 -1.50 0.02 0.00 0.00 176.95 174.83 1wuj s ILE 486 N 1.27 1.96 -0.25 2.03 2.07 -0.02 -0.91 121.20 127.34 1wuj s ILE 486 Ca -0.03 -1.19 -0.01 0.00 -1.41 0.00 0.00 60.65 58.02 1wuj s ILE 486 Cb -0.14 -1.65 0.03 0.00 0.13 0.00 0.00 42.46 40.83 1wuj s ILE 486 CO -0.03 0.43 -0.07 -0.13 -1.91 0.00 0.00 174.94 173.22 1wuj s ARG 487 N -0.90 2.73 -0.11 3.50 1.81 -0.21 -0.92 118.95 124.86 1wuj s ARG 487 Ca 0.10 -1.05 -0.19 0.00 -1.72 0.00 0.00 55.73 52.87 1wuj s ARG 487 Cb -0.09 -2.96 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 1wuj s ARG 487 CO 0.01 -0.43 0.51 0.42 -0.68 0.00 0.00 175.30 175.12 1wuj s ILE 488 N 1.29 5.16 -0.05 1.52 1.01 0.97 -0.41 121.20 130.68 1wuj s ILE 488 Ca -0.01 1.03 0.01 0.00 0.00 0.00 0.00 60.65 61.67 1wuj s ILE 488 Cb -0.17 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1wuj s ILE 488 CO -0.05 0.32 -0.04 -0.70 0.00 0.00 0.00 174.94 174.47 1wuj s GLU 489 N 0.60 0.87 -1.32 2.79 2.56 0.28 -2.26 118.70 122.21 1wuj s GLU 489 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 54.97 55.13 1wuj s GLU 489 Cb -0.16 -0.93 0.02 0.00 2.00 0.00 0.00 34.13 35.06 1wuj s GLU 489 CO 0.12 -0.13 0.21 -3.47 -0.56 0.00 0.00 175.26 171.43 1wuj n ASP 490 N 4.28 -4.61 0.00 -1.70 4.64 -0.22 -1.19 116.55 117.75 1wuj n ASP 490 Ca -0.21 -0.05 0.00 0.00 -1.38 0.00 0.00 54.79 53.15 1wuj n ASP 490 Cb 0.51 -3.84 0.00 0.00 -1.04 0.00 0.00 41.12 36.75 1wuj n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wuj n GLY 491 N -1.05 0.50 3.62 0.27 0.00 0.02 -4.98 105.19 103.56 1wuj n GLY 491 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1wuj n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuj s LYS 492 N -0.39 1.98 -0.43 1.61 -0.14 -0.33 -4.46 119.74 117.58 1wuj s LYS 492 Ca 0.00 -2.00 -0.28 0.00 -1.36 0.00 0.00 55.97 52.33 1wuj s LYS 492 Cb 0.00 -1.73 -0.00 0.00 -1.68 0.00 0.00 37.83 34.41 1wuj s LYS 492 CO 0.00 -0.00 1.61 0.42 -0.76 0.00 0.00 175.35 176.62 1wuj s ILE 493 N -2.65 3.66 -0.02 2.17 1.01 -0.07 -0.56 121.20 124.74 1wuj s ILE 493 Ca 0.35 0.63 -0.20 0.00 0.00 0.00 0.00 60.65 61.44 1wuj s ILE 493 Cb 0.07 -4.01 -0.32 0.00 0.01 0.00 0.00 42.46 38.21 1wuj s ILE 493 CO 0.18 -0.72 0.95 1.23 0.00 0.00 0.00 174.94 176.59 1wuj h GLY 494 N 13.41 0.44 -5.23 6.18 0.00 -1.00 0.14 103.07 117.01 1wuj h GLY 494 Ca -0.29 -1.06 -0.13 0.00 0.00 0.00 0.00 47.33 45.85 1wuj h GLY 494 CO 1.10 0.93 -0.27 0.21 0.00 0.00 0.00 176.54 178.51 1wuj s ASN 495 N -7.11 -0.40 -0.06 0.19 3.84 -0.85 -4.82 114.94 105.73 1wuj s ASN 495 Ca -0.12 0.76 -0.01 0.00 0.21 0.00 0.00 52.86 53.69 1wuj s ASN 495 Cb 0.02 0.77 0.03 0.00 -0.55 0.00 0.00 41.25 41.52 1wuj s ASN 495 CO 0.86 -0.14 0.00 0.12 -2.79 0.00 0.00 177.10 175.15 1wuj s PHE 496 N 0.16 0.58 -0.06 0.43 2.19 -1.26 -1.04 117.98 118.98 1wuj s PHE 496 Ca -0.00 -0.11 0.03 0.00 0.33 0.00 0.00 56.93 57.18 1wuj s PHE 496 Cb -0.03 -0.71 0.01 0.00 -1.31 0.00 0.00 43.02 40.98 1wuj s PHE 496 CO 0.01 -0.28 -0.15 -0.65 1.83 0.00 0.00 175.22 175.98 1wuj s GLN 497 N 1.78 1.86 -0.14 10.12 -1.52 -0.09 -4.68 119.66 126.99 1wuj s GLN 497 Ca 0.02 -0.53 -0.06 0.00 -1.95 0.00 0.00 55.36 52.83 1wuj s GLN 497 Cb -0.13 -1.54 -0.04 0.00 -0.22 0.00 0.00 33.01 31.08 1wuj s GLN 497 CO -0.04 0.12 0.07 -0.51 -0.25 0.00 0.00 175.29 174.68 1wuj s LEU 498 N 0.39 3.92 -0.23 2.90 1.02 -1.26 -0.81 118.68 124.60 1wuj s LEU 498 Ca -0.11 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.25 1wuj s LEU 498 Cb -0.14 -1.96 0.06 0.00 0.02 0.00 0.00 46.19 44.17 1wuj s LEU 498 CO 0.04 0.29 -0.05 -0.69 0.02 0.00 0.00 176.35 175.95 1wuj s VAL 499 N -0.31 1.45 0.13 -1.59 1.01 -0.44 -5.04 120.40 115.62 1wuj s VAL 499 Ca 0.09 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.01 1wuj s VAL 499 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1wuj s VAL 499 CO 0.02 -0.08 -0.10 -0.69 0.00 0.00 0.00 175.10 174.25 1wuj s VAL 500 N 1.44 3.31 0.22 2.92 1.01 -1.26 -1.55 120.40 126.49 1wuj s VAL 500 Ca -0.05 -1.40 -0.08 0.00 0.00 0.00 0.00 61.98 60.45 1wuj s VAL 500 Cb -0.18 -2.58 0.18 0.00 0.00 0.00 0.00 36.38 33.79 1wuj s VAL 500 CO -0.06 0.03 1.71 -0.65 0.00 0.00 0.00 175.10 176.13 1wuj h PRO 501 N 3.36 0.30 0.00 2.72 0.11 -1.83 0.13 132.00 136.78 1wuj h PRO 501 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1wuj h PRO 501 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1wuj h PRO 501 CO 0.53 0.20 -0.04 0.77 -0.21 0.00 0.00 178.00 179.25 1wuj h SER 502 N 0.31 0.00 -0.16 -2.05 0.02 -1.90 -1.54 113.55 108.22 1wuj h SER 502 Ca 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1wuj h SER 502 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1wuj h SER 502 CO -0.40 0.04 0.07 0.74 -1.14 0.00 0.00 176.83 176.13 1wuj h THR 503 N 0.00 1.15 -0.33 -2.27 2.02 -0.96 0.12 112.91 112.65 1wuj h THR 503 Ca -0.00 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 66.78 1wuj h THR 503 Cb 0.36 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1wuj h THR 503 CO 0.00 0.14 0.01 -0.50 0.37 0.00 0.00 175.52 175.55 1wuj h TRP 504 N 0.11 -0.00 0.19 3.16 4.06 -1.04 -1.16 115.95 121.28 1wuj h TRP 504 Ca 0.05 0.02 -0.34 0.00 2.06 0.00 0.00 58.89 60.68 1wuj h TRP 504 Cb 0.17 0.05 0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1wuj h TRP 504 CO -0.01 -0.05 -1.67 1.15 -3.56 0.00 0.00 178.44 174.29 1wuj h THR 505 N 0.10 1.03 -0.06 1.49 2.02 -1.29 -3.39 112.91 112.81 1wuj h THR 505 Ca 0.16 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1wuj h THR 505 Cb 0.21 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1wuj h THR 505 CO -0.26 0.84 0.00 0.18 0.37 0.00 0.00 175.52 176.66 1wuj n LEU 506 N -3.60 1.89 -4.50 2.58 4.32 0.42 -1.50 117.00 116.60 1wuj n LEU 506 Ca -0.22 -1.22 -0.28 0.00 -0.02 0.00 0.00 56.01 54.27 1wuj n LEU 506 Cb 1.08 -0.04 0.25 0.00 -1.62 0.00 0.00 43.42 43.09 1wuj n LEU 506 CO 0.53 0.41 0.53 -0.83 -1.22 0.00 0.00 177.39 176.81 1wuj s GLY 507 N -0.74 1.55 0.00 -0.72 0.00 -0.44 -4.79 107.32 102.17 1wuj s GLY 507 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1wuj s GLY 507 CO 0.10 0.56 0.00 -1.55 0.00 0.00 0.00 173.10 172.22 1wuj n PRO 508 N -4.87 0.40 -1.29 2.90 -0.04 -1.26 -4.52 135.00 126.32 1wuj n PRO 508 Ca 0.03 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 1wuj n PRO 508 Cb 0.55 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.11 1wuj n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wuj s ARG 509 N -2.06 1.94 0.40 0.54 0.52 -1.26 -4.31 118.95 114.71 1wuj s ARG 509 Ca 0.00 1.71 0.06 0.00 -0.52 0.00 0.00 55.73 56.98 1wuj s ARG 509 Cb 0.00 -1.82 0.07 0.00 0.52 0.00 0.00 34.95 33.72 1wuj s ARG 509 CO 0.00 -1.98 0.55 0.00 0.02 0.00 0.00 175.30 173.89 1wuj n ASP 511 N -2.59 0.00 -1.17 0.00 3.85 -1.26 -0.89 116.55 114.48 1wuj n ASP 511 Ca 0.11 -0.44 0.12 0.00 -0.71 0.00 0.00 54.79 53.86 1wuj n ASP 511 Cb 0.40 -0.11 0.23 0.00 -1.35 0.00 0.00 41.12 40.29 1wuj n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wuj n LYS 512 N -1.11 2.52 -1.93 0.11 5.02 -1.26 -4.96 118.16 116.55 1wuj n LYS 512 Ca 0.14 -2.31 -0.16 0.00 -2.02 0.00 0.00 58.31 53.97 1wuj n LYS 512 Cb 0.11 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1wuj n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wuj n ASN 513 N 1.50 -4.83 -4.70 4.39 5.03 -0.07 -4.96 115.26 111.61 1wuj n ASN 513 Ca 0.20 0.17 -0.42 0.00 0.87 0.00 0.00 54.58 55.40 1wuj n ASN 513 Cb 0.61 -3.86 -0.03 0.00 -1.02 0.00 0.00 39.78 35.48 1wuj n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1wuj s LYS 514 N -4.15 4.48 0.40 3.52 1.02 -1.26 -4.81 119.74 118.94 1wuj s LYS 514 Ca 0.00 1.51 -0.27 0.00 0.02 0.00 0.00 55.97 57.24 1wuj s LYS 514 Cb 0.00 -3.47 -0.09 0.00 -0.52 0.00 0.00 37.83 33.75 1wuj s LYS 514 CO 0.00 -0.19 1.39 -0.51 -0.92 0.00 0.00 175.35 175.11 1wuj s LEU 515 N 1.37 4.23 0.92 3.17 1.02 -1.26 -3.28 118.68 124.86 1wuj s LEU 515 Ca 0.53 2.84 -0.12 0.00 0.02 0.00 0.00 54.13 57.40 1wuj s LEU 515 Cb -0.22 -3.83 0.14 0.00 0.02 0.00 0.00 46.19 42.30 1wuj s LEU 515 CO 0.25 -0.92 1.10 -0.94 0.02 0.00 0.00 176.35 175.86 1wuj s SER 516 N -0.49 3.34 0.18 2.29 1.04 -1.26 -4.69 113.70 114.10 1wuj s SER 516 Ca 0.56 1.27 -0.14 0.00 0.48 0.00 0.00 55.95 58.12 1wuj s SER 516 Cb -0.42 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 63.91 1wuj s SER 516 CO 0.55 -2.69 1.70 -0.65 0.98 0.00 0.00 173.24 173.13 1wuj h PRO 517 N -1.59 0.16 -0.73 4.02 0.11 -1.78 0.19 132.00 132.38 1wuj h PRO 517 Ca -0.51 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1wuj h PRO 517 Cb 1.30 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1wuj h PRO 517 CO 0.58 0.10 0.41 -0.24 -0.21 0.00 0.00 178.00 178.64 1wuj h VAL 518 N 0.16 1.22 -0.05 3.15 3.04 -1.61 -0.48 116.25 121.67 1wuj h VAL 518 Ca 0.22 -0.53 -0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1wuj h VAL 518 Cb 0.31 0.25 -0.00 0.00 -2.01 0.00 0.00 31.29 29.83 1wuj h VAL 518 CO -0.33 0.24 0.02 -0.33 -1.01 0.00 0.00 177.57 176.16 1wuj h GLU 519 N 1.00 0.08 -0.62 4.17 5.08 -1.62 -2.58 114.58 120.10 1wuj h GLU 519 Ca 0.26 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1wuj h GLU 519 Cb 0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1wuj h GLU 519 CO -0.04 0.19 0.18 0.00 -1.00 0.00 0.00 179.01 178.34 1wuj h ALA 520 N 0.88 1.15 0.00 3.43 0.00 -0.87 -2.62 119.26 121.23 1wuj h ALA 520 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1wuj h ALA 520 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wuj h ALA 520 CO -0.00 0.58 -0.15 0.66 0.00 0.00 0.00 179.25 180.34 1wuj h SER 521 N 0.91 0.00 1.66 0.00 4.64 -0.85 -2.34 113.55 117.56 1wuj h SER 521 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1wuj h SER 521 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1wuj h SER 521 CO -0.01 0.15 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.98 1wuj h LEU 522 N 0.00 0.00 -9.61 5.97 3.38 -1.07 -3.11 115.31 110.86 1wuj h LEU 522 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1wuj h LEU 522 Cb 0.40 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.19 1wuj h LEU 522 CO 0.02 0.05 0.86 -0.63 0.09 0.00 0.00 178.44 178.83 1wuj s ILE 523 N -3.33 2.68 0.00 1.22 -1.09 -0.88 -1.79 121.20 118.01 1wuj s ILE 523 Ca 0.05 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.96 1wuj s ILE 523 Cb 0.06 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 1wuj s ILE 523 CO 0.64 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1wuj n GLY 524 N 3.62 0.68 3.68 6.18 0.00 -0.01 -4.77 105.19 114.57 1wuj n GLY 524 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1wuj n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuj s THR 525 N -2.52 3.33 0.36 2.61 2.01 -0.74 -4.67 115.64 116.02 1wuj s THR 525 Ca 0.00 0.63 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 1wuj s THR 525 Cb 0.00 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 1wuj s THR 525 CO 0.00 -0.02 1.08 -2.16 -0.69 0.00 0.00 174.62 172.82 1wuj s PRO 526 N 3.18 4.32 -0.22 4.92 0.04 -1.26 -0.64 135.00 145.34 1wuj s PRO 526 Ca 0.73 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 63.41 1wuj s PRO 526 Cb -0.36 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.46 1wuj s PRO 526 CO 0.31 -0.04 -0.02 0.08 0.04 0.00 0.00 177.00 177.37 1wuj s VAL 527 N -1.46 1.18 0.15 -0.36 1.01 0.03 -4.67 120.40 116.28 1wuj s VAL 527 Ca 0.53 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1wuj s VAL 527 Cb -0.26 -1.54 -0.11 0.00 0.00 0.00 0.00 36.38 34.47 1wuj s VAL 527 CO 0.33 -0.15 1.40 0.00 0.00 0.00 0.00 175.10 176.68 1wuj h ALA 528 N 8.05 0.50 -2.73 5.51 0.00 -1.92 -3.42 119.26 125.25 1wuj h ALA 528 Ca -0.17 -0.57 -0.49 0.00 0.00 0.00 0.00 54.91 53.68 1wuj h ALA 528 Cb 1.09 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.43 1wuj h ALA 528 CO 0.39 0.70 -0.76 0.34 0.00 0.00 0.00 179.25 179.93 1wuj s ASP 529 N -7.00 3.15 0.61 0.00 3.68 -1.26 -4.95 116.67 110.90 1wuj s ASP 529 Ca -0.09 -1.14 0.33 0.00 2.13 0.00 0.00 52.55 53.79 1wuj s ASP 529 Cb 0.10 -0.22 1.95 0.00 -1.45 0.00 0.00 42.92 43.30 1wuj s ASP 529 CO 0.87 -0.42 2.26 0.00 0.13 0.00 0.00 175.17 178.01 1wuj h ALA 530 N 8.39 1.43 0.00 3.66 0.00 -2.01 0.19 119.26 130.92 1wuj h ALA 530 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wuj h ALA 530 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wuj h ALA 530 CO 0.41 -0.05 0.00 0.87 0.00 0.00 0.00 179.25 180.48 1wuj h LYS 531 N 0.00 0.00 -2.04 0.00 1.57 -1.99 -3.36 116.57 110.75 1wuj h LYS 531 Ca 0.01 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.24 1wuj h LYS 531 Cb 0.08 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.99 1wuj h LYS 531 CO -0.00 0.00 -1.03 0.54 -0.57 0.00 0.00 179.45 178.39 1wuj n ARG 532 N -3.00 1.12 -1.54 3.15 1.74 0.66 -5.04 116.66 113.75 1wuj n ARG 532 Ca 0.02 -3.53 -0.40 0.00 -0.77 0.00 0.00 57.85 53.18 1wuj n ARG 532 Cb 0.41 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1wuj n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wuj n PRO 533 N 1.10 3.76 0.21 5.56 -0.04 -1.18 -4.65 135.00 139.76 1wuj n PRO 533 Ca 0.23 -2.54 0.13 0.00 -0.04 0.00 0.00 63.50 61.28 1wuj n PRO 533 Cb 0.53 -2.84 0.71 0.00 -0.04 0.00 0.00 33.50 31.86 1wuj n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1wuj h VAL 534 N 3.09 0.81 -0.40 0.52 3.04 -1.96 -1.52 116.25 119.83 1wuj h VAL 534 Ca 0.79 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 66.40 1wuj h VAL 534 Cb 0.35 0.93 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 1wuj h VAL 534 CO 1.74 0.00 -0.05 -0.33 -1.01 0.00 0.00 177.57 177.92 1wuj h GLU 535 N 0.00 0.67 -0.63 4.17 3.07 -1.83 0.13 114.58 120.16 1wuj h GLU 535 Ca 0.06 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 1wuj h GLU 535 Cb 0.27 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1wuj h GLU 535 CO -0.00 0.72 0.25 0.82 -1.40 0.00 0.00 179.01 179.40 1wuj h ILE 536 N 0.63 1.24 -0.90 3.13 2.04 -1.57 -2.78 117.51 119.30 1wuj h ILE 536 Ca 0.12 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1wuj h ILE 536 Cb 0.46 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1wuj h ILE 536 CO 0.02 0.29 0.48 -0.07 0.00 0.00 0.00 178.15 178.88 1wuj h LEU 537 N 0.89 1.13 -0.41 1.44 3.38 -1.26 -0.84 115.31 119.64 1wuj h LEU 537 Ca 0.21 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1wuj h LEU 537 Cb 0.21 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1wuj h LEU 537 CO -0.02 0.91 0.20 0.03 0.09 0.00 0.00 178.44 179.66 1wuj h ARG 538 N 1.26 0.39 -0.10 1.13 3.08 -0.74 0.33 114.38 119.73 1wuj h ARG 538 Ca 0.32 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.31 1wuj h ARG 538 Cb 0.04 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1wuj h ARG 538 CO -0.05 0.26 -0.06 1.15 -1.07 0.00 0.00 179.97 180.20 1wuj h THR 539 N 0.41 1.33 -0.43 2.04 2.02 -1.28 -1.90 112.91 115.09 1wuj h THR 539 Ca 0.18 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 1wuj h THR 539 Cb 0.09 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1wuj h THR 539 CO -0.13 0.32 0.26 0.58 0.37 0.00 0.00 175.52 176.92 1wuj h VAL 540 N -0.15 1.14 0.00 3.16 2.07 -0.89 -1.89 116.25 119.68 1wuj h VAL 540 Ca 0.02 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1wuj h VAL 540 Cb 0.53 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1wuj h VAL 540 CO 0.02 0.14 -0.15 0.45 0.02 0.00 0.00 177.57 178.04 1wuj h HIS 541 N 0.57 0.00 0.00 1.57 -0.00 -0.39 -2.34 115.15 114.55 1wuj h HIS 541 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1wuj h HIS 541 Cb -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1wuj h HIS 541 CO -0.03 0.15 -0.06 0.66 -0.00 0.00 0.00 177.93 178.65 1wuj h SER 542 N 0.00 0.00 0.67 2.45 4.64 -0.49 0.46 113.55 121.29 1wuj h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wuj h SER 542 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1wuj h SER 542 CO 0.02 0.06 -0.18 0.49 -0.87 0.00 0.00 176.83 176.35 1wuj n PHE 543 N -3.49 0.00 -3.30 4.77 3.72 -0.88 -4.63 117.46 113.64 1wuj n PHE 543 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1wuj n PHE 543 Cb 0.19 -0.34 0.07 0.00 -0.94 0.00 0.00 39.48 38.46 1wuj n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wuj n ASP 544 N -1.35 -6.45 -2.81 4.37 4.64 0.15 -4.99 116.55 110.12 1wuj n ASP 544 Ca 0.09 -0.74 -0.00 0.00 -1.38 0.00 0.00 54.79 52.75 1wuj n ASP 544 Cb 0.32 -5.01 0.00 0.00 -1.04 0.00 0.00 41.12 35.39 1wuj n ASP 544 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1wuj n PRO 545 N -3.35 -1.62 0.00 -0.67 -0.02 -1.26 -4.95 135.00 123.13 1wuj n PRO 545 Ca -0.08 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1wuj n PRO 545 Cb 0.62 -0.01 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 1wuj n PRO 545 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wuj n ILE 547 N -2.81 0.00 -0.20 4.25 2.08 -0.33 -2.61 119.36 119.74 1wuj n ILE 547 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 1wuj n ILE 547 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 38.92 1wuj n ILE 547 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wuj h ALA 548 N 0.00 0.72 -0.02 -1.39 0.00 -1.84 -1.69 119.26 115.05 1wuj h ALA 548 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wuj h ALA 548 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1wuj h ALA 548 CO 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 179.25 179.37 1wuj h GLY 550 N -0.17 0.59 0.11 0.00 0.00 -1.79 -3.32 103.07 98.50 1wuj h GLY 550 Ca 0.04 -0.39 -0.39 0.00 0.00 0.00 0.00 47.33 46.59 1wuj h GLY 550 CO -0.11 0.36 -2.35 -0.62 0.00 0.00 0.00 176.54 173.82 1wuj n VAL 551 N -4.22 1.55 -0.11 4.60 0.31 -0.67 -4.40 118.33 115.39 1wuj n VAL 551 Ca 0.01 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1wuj n VAL 551 Cb 0.31 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1wuj n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51