#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xta s ASP 3 N 0.00 2.13 0.16 4.52 3.84 -1.26 -4.72 116.67 121.33 1xta s ASP 3 Ca 0.00 -0.88 -0.26 0.00 -0.00 0.00 0.00 52.55 51.41 1xta s ASP 3 Cb 0.00 -0.08 0.02 0.00 -1.38 0.00 0.00 42.92 41.48 1xta s ASP 3 CO 0.00 -0.17 1.58 0.15 -0.00 0.00 0.00 175.17 176.73 1xta h PHE 4 N 3.22 -1.15 -0.96 2.11 3.57 -1.96 -2.82 116.94 118.95 1xta h PHE 4 Ca -0.39 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.30 1xta h PHE 4 Cb 1.20 0.56 -0.08 0.00 2.79 0.00 0.00 35.95 40.42 1xta h PHE 4 CO 0.66 -0.43 0.61 -0.91 -2.23 0.00 0.00 178.31 176.02 1xta h ASN 5 N -0.31 0.85 0.28 0.41 2.35 -2.00 -2.04 115.58 115.11 1xta h ASN 5 Ca 0.15 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1xta h ASN 5 Cb 0.57 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1xta h ASN 5 CO -0.56 0.45 -0.12 0.28 -1.65 0.00 0.00 177.43 175.83 1xta h SER 6 N 0.91 0.00 -0.43 5.81 0.02 -1.93 -2.56 113.55 115.37 1xta h SER 6 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1xta h SER 6 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1xta h SER 6 CO -0.24 0.12 0.00 -0.62 -1.14 0.00 0.00 176.83 174.95 1xta n GLU 7 N -3.83 2.07 -1.70 3.45 -0.58 -0.77 -4.94 120.64 114.35 1xta n GLU 7 Ca -0.02 -1.66 -0.43 0.00 -0.42 0.00 0.00 57.16 54.64 1xta n GLU 7 Cb 0.22 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 1xta n GLU 7 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xta n SER 8 N 0.85 3.96 0.00 1.62 2.88 -0.97 -4.78 113.62 117.19 1xta n SER 8 Ca 0.16 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 1xta n SER 8 Cb 0.40 -1.55 0.69 0.00 -0.75 0.00 0.00 64.21 63.01 1xta n SER 8 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xta n THR 9 N 4.37 0.00 1.11 2.46 -2.24 -1.26 -2.75 114.28 115.96 1xta n THR 9 Ca 0.17 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1xta n THR 9 Cb 0.36 -0.40 0.64 0.00 -2.10 0.00 0.00 70.33 68.83 1xta n THR 9 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xta n ARG 10 N -0.88 0.15 -3.10 -0.78 1.74 -1.26 -4.57 116.66 107.96 1xta n ARG 10 Ca 0.17 0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.88 1xta n ARG 10 Cb 0.08 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1xta n ARG 10 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xta s ARG 11 N -2.85 4.39 0.40 5.56 0.52 -1.11 -4.96 118.95 120.91 1xta s ARG 11 Ca 0.18 0.77 0.07 0.00 -0.52 0.00 0.00 55.73 56.24 1xta s ARG 11 Cb 0.19 -3.46 0.83 0.00 0.52 0.00 0.00 34.95 33.02 1xta s ARG 11 CO 0.48 0.03 2.01 0.87 0.02 0.00 0.00 175.30 178.72 1xta h LYS 12 N 6.86 0.47 -0.63 3.54 1.57 -1.91 -1.63 116.57 124.83 1xta h LYS 12 Ca -0.39 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1xta h LYS 12 Cb 1.18 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1xta h LYS 12 CO 0.76 0.37 0.24 -0.22 -0.57 0.00 0.00 179.45 180.04 1xta h LYS 13 N 0.47 0.93 -0.10 3.15 3.64 -1.95 -0.43 116.57 122.28 1xta h LYS 13 Ca 0.12 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1xta h LYS 13 Cb 0.07 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1xta h LYS 13 CO -0.02 0.76 -0.75 -0.22 -2.27 0.00 0.00 179.45 176.96 1xta h LYS 14 N 0.91 0.54 -0.67 1.90 1.63 -1.64 -2.01 116.57 117.22 1xta h LYS 14 Ca 0.21 -0.44 -0.02 0.00 -0.85 0.00 0.00 60.65 59.55 1xta h LYS 14 Cb 0.19 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 1xta h LYS 14 CO -0.02 1.07 0.34 1.96 -3.45 0.00 0.00 179.45 179.35 1xta h GLN 15 N 0.37 0.96 -0.65 1.90 4.20 -0.87 -1.46 115.11 119.55 1xta h GLN 15 Ca -0.04 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1xta h GLN 15 Cb 1.34 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.92 1xta h GLN 15 CO 0.14 0.75 0.21 -0.22 -0.67 0.00 0.00 178.83 179.04 1xta h LYS 16 N 0.93 1.00 -0.15 1.46 3.64 -1.00 -1.50 116.57 120.96 1xta h LYS 16 Ca 0.23 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1xta h LYS 16 Cb 0.10 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1xta h LYS 16 CO -0.03 0.87 0.05 1.49 -2.27 0.00 0.00 179.45 179.56 1xta h GLU 17 N 0.93 0.12 -0.16 1.90 4.81 -0.95 0.15 114.58 121.38 1xta h GLU 17 Ca 0.21 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1xta h GLU 17 Cb 0.28 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1xta h GLU 17 CO -0.01 0.08 0.09 0.82 -0.73 0.00 0.00 179.01 179.26 1xta h ILE 18 N 0.12 1.10 -0.11 2.32 2.04 -1.07 -1.53 117.51 120.38 1xta h ILE 18 Ca 0.06 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1xta h ILE 18 Cb 0.03 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1xta h ILE 18 CO -0.06 0.09 -0.03 0.58 0.00 0.00 0.00 178.15 178.73 1xta h VAL 19 N 0.15 1.30 -0.74 1.67 2.07 -1.17 -2.38 116.25 117.15 1xta h VAL 19 Ca 0.06 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.62 1xta h VAL 19 Cb 0.07 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1xta h VAL 19 CO -0.01 0.28 0.47 0.44 0.02 0.00 0.00 177.57 178.77 1xta h ASP 20 N -0.11 0.78 -0.41 0.57 3.32 -0.71 -0.69 116.42 119.17 1xta h ASP 20 Ca 0.03 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1xta h ASP 20 Cb 0.46 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1xta h ASP 20 CO 0.01 0.54 0.13 0.25 -1.72 0.00 0.00 179.24 178.45 1xta h LEU 21 N 0.92 0.59 -0.43 1.55 5.85 -1.27 0.06 115.31 122.58 1xta h LEU 21 Ca 0.30 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1xta h LEU 21 Cb 0.01 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1xta h LEU 21 CO -0.11 0.63 0.23 0.45 -0.34 0.00 0.00 178.44 179.30 1xta h HIS 22 N 0.51 0.42 -0.11 1.25 3.86 -1.01 -1.39 115.15 118.69 1xta h HIS 22 Ca 0.13 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1xta h HIS 22 Cb 0.25 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1xta h HIS 22 CO 0.01 0.22 -0.20 -0.91 0.86 0.00 0.00 177.93 177.92 1xta h ASN 23 N 0.46 0.18 -0.35 2.45 2.35 -0.83 -0.88 115.58 118.95 1xta h ASN 23 Ca 0.18 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 1xta h ASN 23 Cb 0.07 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1xta h ASN 23 CO -0.12 0.39 -0.18 -1.28 -1.65 0.00 0.00 177.43 174.59 1xta h SER 24 N 0.17 0.77 -0.34 5.81 0.87 -0.40 -1.37 113.55 119.05 1xta h SER 24 Ca 0.03 -0.41 -0.11 0.00 -1.23 0.00 0.00 61.79 60.08 1xta h SER 24 Cb 0.45 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1xta h SER 24 CO 0.03 1.01 -0.16 -0.07 -0.53 0.00 0.00 176.83 177.11 1xta h LEU 25 N 0.53 0.81 -1.25 2.23 3.38 -0.97 -2.51 115.31 117.53 1xta h LEU 25 Ca 0.08 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1xta h LEU 25 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1xta h LEU 25 CO 0.05 0.97 -0.36 0.03 0.09 0.00 0.00 178.44 179.22 1xta h ARG 26 N 0.72 0.00 0.00 1.13 3.08 -0.97 -2.57 114.38 115.76 1xta h ARG 26 Ca 0.11 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 1xta h ARG 26 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1xta h ARG 26 CO 0.05 0.36 -0.48 0.00 -1.07 0.00 0.00 179.97 178.83 1xta h ARG 27 N 0.00 0.00 -0.52 0.04 3.08 -0.85 -3.29 114.38 112.84 1xta h ARG 27 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xta h ARG 27 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1xta h ARG 27 CO 0.05 0.48 0.03 0.54 -1.07 0.00 0.00 179.97 180.00 1xta n ARG 28 N -3.38 4.28 -2.00 0.04 1.74 -0.98 -5.01 116.66 111.35 1xta n ARG 28 Ca 0.01 -3.09 -0.35 0.00 -0.77 0.00 0.00 57.85 53.65 1xta n ARG 28 Cb 0.64 -2.16 0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1xta n ARG 28 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1xta s VAL 29 N -2.83 2.93 -0.05 1.55 -7.23 -1.16 -5.04 120.40 108.57 1xta s VAL 29 Ca 0.52 0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 61.21 1xta s VAL 29 Cb 0.40 -3.16 0.04 0.00 0.56 0.00 0.00 36.38 34.23 1xta s VAL 29 CO 0.14 -0.17 0.10 -0.55 -0.31 0.00 0.00 175.10 174.31 1xta s SER 30 N -1.91 0.35 0.91 4.85 0.15 -1.26 -3.85 113.70 112.94 1xta s SER 30 Ca 0.73 0.20 -0.11 0.00 0.70 0.00 0.00 55.95 57.47 1xta s SER 30 Cb -0.26 0.08 0.14 0.00 -1.71 0.00 0.00 66.02 64.28 1xta s SER 30 CO 0.34 -0.18 1.10 -2.16 1.20 0.00 0.00 173.24 173.53 1xta s PRO 31 N 1.58 1.11 0.63 5.44 0.04 -1.26 -4.94 135.00 137.59 1xta s PRO 31 Ca -0.04 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 61.98 1xta s PRO 31 Cb -0.12 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1xta s PRO 31 CO -0.05 -2.44 1.18 0.95 0.04 0.00 0.00 177.00 176.68 1xta s THR 32 N -2.76 2.74 -0.04 1.26 -4.23 -1.25 -5.00 115.64 106.36 1xta s THR 32 Ca 0.65 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 61.61 1xta s THR 32 Cb -0.20 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 1xta s THR 32 CO 0.58 -0.14 -0.15 0.00 -0.54 0.00 0.00 174.62 174.37 1xta s ALA 33 N -1.83 2.66 -1.20 3.99 0.00 -1.20 -2.84 121.76 121.33 1xta s ALA 33 Ca 0.74 -1.01 0.22 0.00 0.00 0.00 0.00 51.96 51.91 1xta s ALA 33 Cb -0.28 -0.94 -0.14 0.00 0.00 0.00 0.00 23.12 21.77 1xta s ALA 33 CO 0.36 0.56 0.97 -1.13 0.00 0.00 0.00 175.76 176.52 1xta n SER 34 N 2.20 1.16 -1.54 0.00 3.41 -0.28 -3.30 113.62 115.28 1xta n SER 34 Ca -0.17 -1.05 0.01 0.00 -0.26 0.00 0.00 58.87 57.40 1xta n SER 34 Cb 0.52 0.85 0.08 0.00 -0.26 0.00 0.00 64.21 65.40 1xta n SER 34 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xta n ASN 35 N -1.22 1.66 -4.61 4.04 6.94 -1.26 -1.37 115.26 119.44 1xta n ASN 35 Ca 0.05 -2.67 -0.43 0.00 -0.02 0.00 0.00 54.58 51.51 1xta n ASN 35 Cb 0.36 -0.40 -0.02 0.00 -2.36 0.00 0.00 39.78 37.36 1xta n ASN 35 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1xta s MET 36 N -1.85 3.69 0.45 -3.83 1.75 -1.26 -4.69 119.30 113.56 1xta s MET 36 Ca 0.35 0.87 -0.22 0.00 -1.25 0.00 0.00 55.69 55.44 1xta s MET 36 Cb 0.37 -3.96 -0.08 0.00 2.84 0.00 0.00 34.83 34.01 1xta s MET 36 CO -0.10 -1.42 1.07 -0.51 -0.65 0.00 0.00 175.02 173.41 1xta s LEU 37 N 4.90 4.00 -0.03 4.11 1.43 -1.03 0.39 118.68 132.45 1xta s LEU 37 Ca 0.56 2.06 -0.28 0.00 -1.03 0.00 0.00 54.13 55.44 1xta s LEU 37 Cb -0.12 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 1xta s LEU 37 CO 0.30 -0.71 0.91 -0.75 0.23 0.00 0.00 176.35 176.33 1xta s LYS 38 N -2.82 4.51 0.42 1.70 2.20 0.38 -4.73 119.74 121.41 1xta s LYS 38 Ca 0.63 1.28 -0.11 0.00 -0.36 0.00 0.00 55.97 57.40 1xta s LYS 38 Cb -0.21 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.57 1xta s LYS 38 CO 0.26 -0.05 0.80 -1.64 -0.36 0.00 0.00 175.35 174.36 1xta s MET 39 N 1.07 3.79 0.08 4.03 -1.94 -1.26 -4.74 119.30 120.33 1xta s MET 39 Ca 0.48 0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 54.97 1xta s MET 39 Cb -0.20 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1xta s MET 39 CO 0.24 -0.08 0.00 -1.83 -0.01 0.00 0.00 175.02 173.35 1xta s GLU 40 N -3.92 0.71 0.39 2.03 -1.05 0.25 -4.96 118.70 112.16 1xta s GLU 40 Ca 0.52 -1.28 -0.25 0.00 -0.15 0.00 0.00 54.97 53.81 1xta s GLU 40 Cb -0.10 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.72 1xta s GLU 40 CO 0.32 -0.16 1.08 -0.46 0.95 0.00 0.00 175.26 176.99 1xta s TRP 41 N -3.96 3.25 -0.29 4.83 -0.11 -1.26 -1.71 118.94 119.68 1xta s TRP 41 Ca 0.12 1.63 -0.00 0.00 1.22 0.00 0.00 56.10 59.07 1xta s TRP 41 Cb 0.08 -3.21 0.09 0.00 -1.50 0.00 0.00 33.47 28.93 1xta s TRP 41 CO -0.06 -0.80 0.07 -0.47 -4.62 0.00 0.00 176.95 171.07 1xta s TYR 42 N -1.54 2.02 0.28 5.86 5.04 -0.20 -4.78 117.35 124.03 1xta s TYR 42 Ca 0.56 -1.84 0.02 0.00 -2.44 0.00 0.00 57.07 53.37 1xta s TYR 42 Cb -0.25 -1.81 0.68 0.00 0.35 0.00 0.00 41.96 40.93 1xta s TYR 42 CO 0.32 -0.85 1.68 -1.35 -1.34 0.00 0.00 175.55 174.00 1xta h PRO 43 N 8.02 0.30 -0.79 4.97 0.11 -1.96 -0.91 132.00 141.74 1xta h PRO 43 Ca -0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1xta h PRO 43 Cb 1.03 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1xta h PRO 43 CO 0.46 0.20 0.45 0.93 -0.21 0.00 0.00 178.00 179.83 1xta h GLU 44 N 0.31 1.09 -0.24 1.05 3.07 -1.97 -0.01 114.58 117.87 1xta h GLU 44 Ca 0.54 -0.11 -0.17 0.00 -0.50 0.00 0.00 59.36 59.12 1xta h GLU 44 Cb 1.03 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1xta h GLU 44 CO -0.57 0.79 -0.53 0.00 -1.40 0.00 0.00 179.01 177.29 1xta h ALA 45 N 1.39 0.61 -0.40 3.43 0.00 -1.55 -2.07 119.26 120.67 1xta h ALA 45 Ca 0.28 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xta h ALA 45 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xta h ALA 45 CO -0.05 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.05 1xta h ALA 46 N 0.86 0.52 -0.56 0.00 0.00 -0.69 0.12 119.26 119.50 1xta h ALA 46 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xta h ALA 46 Cb 1.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1xta h ALA 46 CO 0.11 0.11 0.29 0.77 0.00 0.00 0.00 179.25 180.52 1xta h SER 47 N 0.50 0.72 -0.56 0.00 0.02 -0.96 0.39 113.55 113.66 1xta h SER 47 Ca 0.13 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1xta h SER 47 Cb 0.17 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1xta h SER 47 CO -0.01 0.63 -0.06 -1.13 -1.14 0.00 0.00 176.83 175.12 1xta h ASN 48 N 0.76 1.02 -0.26 3.07 -0.73 -1.15 -1.48 115.58 116.81 1xta h ASN 48 Ca 0.20 -0.33 -0.08 0.00 1.87 0.00 0.00 56.30 57.95 1xta h ASN 48 Cb 0.09 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 1xta h ASN 48 CO -0.03 1.11 -0.09 0.00 -0.37 0.00 0.00 177.43 178.05 1xta h ALA 49 N 0.94 1.13 -0.25 1.57 0.00 -0.50 -1.90 119.26 120.25 1xta h ALA 49 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xta h ALA 49 Cb 0.63 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xta h ALA 49 CO 0.04 0.55 0.13 1.49 0.00 0.00 0.00 179.25 181.46 1xta h GLU 50 N 0.60 0.35 -0.70 0.00 4.81 -0.57 0.12 114.58 119.19 1xta h GLU 50 Ca 0.11 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1xta h GLU 50 Cb 0.52 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 1xta h GLU 50 CO 0.03 0.33 0.40 0.00 -0.73 0.00 0.00 179.01 179.05 1xta h ARG 51 N 0.28 0.73 -0.25 1.92 3.08 -0.80 -0.66 114.38 118.68 1xta h ARG 51 Ca 0.09 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 1xta h ARG 51 Cb 0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1xta h ARG 51 CO -0.01 0.48 -0.34 2.35 -1.07 0.00 0.00 179.97 181.38 1xta h TRP 52 N 0.75 0.82 -0.74 3.04 2.91 -0.98 -3.01 115.95 118.73 1xta h TRP 52 Ca 0.31 -0.27 0.02 0.00 1.13 0.00 0.00 58.89 60.08 1xta h TRP 52 Cb 0.17 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.62 1xta h TRP 52 CO -0.07 1.02 0.49 0.00 -1.03 0.00 0.00 178.44 178.86 1xta h ALA 53 N 0.66 1.53 0.00 2.65 0.00 -0.45 -1.30 119.26 122.35 1xta h ALA 53 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xta h ALA 53 Cb 0.93 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xta h ALA 53 CO 0.08 0.41 0.00 0.09 0.00 0.00 0.00 179.25 179.83 1xta n ASN 54 N -4.44 0.00 0.19 0.00 3.02 -0.28 -1.28 115.26 112.46 1xta n ASN 54 Ca 0.09 0.16 0.13 0.00 -0.03 0.00 0.00 54.58 54.93 1xta n ASN 54 Cb 0.09 -0.33 0.31 0.00 -0.61 0.00 0.00 39.78 39.23 1xta n ASN 54 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1xta h THR 55 N 0.00 0.00 -4.02 3.41 1.35 -1.20 -3.47 112.91 108.99 1xta h THR 55 Ca 0.00 -0.76 -0.30 0.00 -0.55 0.00 0.00 66.41 64.81 1xta h THR 55 Cb 0.17 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 1xta h THR 55 CO 0.00 0.00 -0.40 0.00 -0.25 0.00 0.00 175.52 174.87 1xta h SER 57 N -0.25 0.00 -6.28 0.00 4.64 -1.81 -3.45 113.55 106.40 1xta h SER 57 Ca -0.36 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.50 1xta h SER 57 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1xta h SER 57 CO 0.42 0.00 -0.77 0.18 -0.87 0.00 0.00 176.83 175.78 1xta n LEU 58 N -2.87 -2.63 -4.12 5.97 4.32 -1.26 -4.96 117.00 111.46 1xta n LEU 58 Ca 0.04 -0.79 -0.14 0.00 -0.02 0.00 0.00 56.01 55.09 1xta n LEU 58 Cb 0.49 -2.56 -0.05 0.00 -1.62 0.00 0.00 43.42 39.67 1xta n LEU 58 CO 0.33 0.46 0.07 0.21 -1.22 0.00 0.00 177.39 177.24 1xta s ASN 59 N -3.51 0.83 0.10 -1.43 3.04 -1.26 -5.05 114.94 107.66 1xta s ASN 59 Ca 0.54 -1.45 -0.23 0.00 0.04 0.00 0.00 52.86 51.76 1xta s ASN 59 Cb -0.27 0.61 -0.07 0.00 -1.54 0.00 0.00 41.25 39.98 1xta s ASN 59 CO 0.83 -1.20 0.69 -1.00 -3.04 0.00 0.00 177.10 173.38 1xta s HIS 60 N -3.33 3.82 0.46 0.43 3.76 -1.26 -5.01 115.29 114.17 1xta s HIS 60 Ca 0.32 1.45 -0.20 0.00 -0.15 0.00 0.00 55.06 56.48 1xta s HIS 60 Cb 0.01 -2.68 -0.10 0.00 1.11 0.00 0.00 32.58 30.92 1xta s HIS 60 CO 0.19 0.48 0.97 -1.54 -0.85 0.00 0.00 174.74 173.99 1xta s SER 61 N -0.83 6.77 0.62 1.40 1.04 -1.26 -5.02 113.70 116.42 1xta s SER 61 Ca 0.34 1.70 -0.17 0.00 0.48 0.00 0.00 55.95 58.29 1xta s SER 61 Cb -0.21 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 1xta s SER 61 CO 0.23 -0.48 1.15 -2.16 0.98 0.00 0.00 173.24 172.95 1xta s PRO 62 N -3.40 2.93 0.26 4.02 0.04 -1.26 -4.93 135.00 132.67 1xta s PRO 62 Ca 0.62 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 1xta s PRO 62 Cb -0.10 -1.95 0.52 0.00 0.04 0.00 0.00 34.50 33.01 1xta s PRO 62 CO 0.18 -1.18 1.76 -0.44 0.04 0.00 0.00 177.00 177.36 1xta h ASP 63 N 0.53 0.53 0.08 6.66 5.19 -1.95 -1.51 116.42 125.95 1xta h ASP 63 Ca -0.49 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1xta h ASP 63 Cb 1.27 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1xta h ASP 63 CO 0.55 0.23 0.00 -0.46 -3.12 0.00 0.00 179.24 176.43 1xta n ASN 64 N -4.87 0.00 -0.79 6.45 0.23 -1.26 -1.04 115.26 113.98 1xta n ASN 64 Ca 0.17 -0.19 0.08 0.00 -0.53 0.00 0.00 54.58 54.11 1xta n ASN 64 Cb 0.42 -0.10 0.15 0.00 -2.08 0.00 0.00 39.78 38.17 1xta n ASN 64 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1xta n LEU 65 N -1.10 2.87 -0.53 -4.53 7.99 -0.57 -4.46 117.00 116.67 1xta n LEU 65 Ca 0.08 -1.56 0.07 0.00 -0.01 0.00 0.00 56.01 54.59 1xta n LEU 65 Cb 0.06 -0.18 0.15 0.00 -0.11 0.00 0.00 43.42 43.34 1xta n LEU 65 CO 0.07 0.65 0.38 0.54 -1.51 0.00 0.00 177.39 177.52 1xta n ARG 66 N 0.92 1.22 -3.28 3.23 1.74 -0.21 -4.96 116.66 115.32 1xta n ARG 66 Ca 0.13 -2.80 -0.44 0.00 -0.77 0.00 0.00 57.85 53.97 1xta n ARG 66 Cb 0.45 -1.33 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 1xta n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xta s VAL 67 N -2.57 5.08 -0.19 1.55 1.01 -1.25 -0.66 120.40 123.38 1xta s VAL 67 Ca 0.33 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1xta s VAL 67 Cb 0.32 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1xta s VAL 67 CO -0.05 -0.71 0.01 -0.76 0.00 0.00 0.00 175.10 173.59 1xta s LEU 68 N 2.06 3.44 -1.53 3.92 1.43 0.30 -4.49 118.68 123.80 1xta s LEU 68 Ca 0.08 -0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 1xta s LEU 68 Cb -0.23 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.24 1xta s LEU 68 CO 0.08 0.12 0.80 -0.62 0.23 0.00 0.00 176.35 176.96 1xta n GLU 69 N 3.88 -4.21 -0.93 1.70 1.02 -1.26 -0.35 120.64 120.48 1xta n GLU 69 Ca -0.17 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1xta n GLU 69 Cb 0.52 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 1xta n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xta n GLY 70 N -1.46 0.93 3.46 0.62 0.00 -1.26 -5.03 105.19 102.45 1xta n GLY 70 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1xta n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xta s ILE 71 N -3.72 3.71 -0.09 -0.61 -1.09 0.52 -5.08 121.20 114.84 1xta s ILE 71 Ca 0.00 -0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 57.71 1xta s ILE 71 Cb 0.00 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1xta s ILE 71 CO 0.00 0.49 1.40 -1.58 -1.23 0.00 0.00 174.94 174.02 1xta s GLN 72 N 0.49 4.24 0.23 2.79 2.00 -1.26 -0.53 119.66 127.61 1xta s GLN 72 Ca -0.04 1.88 0.08 0.00 -2.00 0.00 0.00 55.36 55.27 1xta s GLN 72 Cb -0.15 -3.77 -0.04 0.00 0.80 0.00 0.00 33.01 29.86 1xta s GLN 72 CO 0.03 -0.70 0.08 0.00 -0.50 0.00 0.00 175.29 174.21 1xta n GLY 74 N -0.80 2.28 3.54 0.00 0.00 0.14 -4.67 105.19 105.68 1xta n GLY 74 Ca -0.08 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.64 1xta n GLY 74 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xta s GLU 75 N -2.97 0.75 0.02 1.61 -1.05 -1.26 -0.81 118.70 114.99 1xta s GLU 75 Ca 0.20 0.04 0.05 0.00 -0.15 0.00 0.00 54.97 55.10 1xta s GLU 75 Cb -0.02 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1xta s GLU 75 CO 0.12 -0.26 -0.15 -1.12 0.95 0.00 0.00 175.26 174.80 1xta s SER 76 N -1.51 1.82 0.26 0.83 0.01 -0.16 -5.00 113.70 109.95 1xta s SER 76 Ca -0.02 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 56.90 1xta s SER 76 Cb -0.01 -0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 1xta s SER 76 CO 0.00 0.10 -0.05 0.27 0.41 0.00 0.00 173.24 173.97 1xta s ILE 77 N -0.67 1.48 -0.15 1.44 -4.36 -1.26 -1.55 121.20 116.13 1xta s ILE 77 Ca 0.04 -2.10 -0.13 0.00 -0.26 0.00 0.00 60.65 58.20 1xta s ILE 77 Cb -0.07 -2.38 0.04 0.00 1.25 0.00 0.00 42.46 41.30 1xta s ILE 77 CO 0.01 -0.34 0.39 -0.47 0.24 0.00 0.00 174.94 174.77 1xta s TYR 78 N -3.12 -0.45 -0.04 1.37 5.04 -0.53 -4.98 117.35 114.64 1xta s TYR 78 Ca 0.28 1.08 0.06 0.00 -2.44 0.00 0.00 57.07 56.06 1xta s TYR 78 Cb 0.04 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.50 1xta s TYR 78 CO 0.10 -0.23 -0.24 -1.64 -1.34 0.00 0.00 175.55 172.20 1xta s MET 79 N 0.42 2.29 -0.05 4.97 -1.94 -1.26 -0.59 119.30 123.14 1xta s MET 79 Ca -0.02 -0.87 -0.08 0.00 -1.71 0.00 0.00 55.69 53.01 1xta s MET 79 Cb -0.04 -2.03 0.02 0.00 2.01 0.00 0.00 34.83 34.79 1xta s MET 79 CO -0.02 0.42 0.20 0.45 -0.01 0.00 0.00 175.02 176.07 1xta s SER 80 N -0.29 -0.15 0.16 3.03 0.15 -0.21 -5.03 113.70 111.36 1xta s SER 80 Ca 0.01 0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.84 1xta s SER 80 Cb -0.12 0.36 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1xta s SER 80 CO 0.02 -0.19 1.42 -1.28 1.20 0.00 0.00 173.24 174.42 1xta h SER 81 N 5.22 0.66 -2.80 5.45 0.87 -1.93 -2.21 113.55 118.81 1xta h SER 81 Ca -0.27 -0.40 -0.60 0.00 -1.23 0.00 0.00 61.79 59.29 1xta h SER 81 Cb 1.19 -0.19 -0.10 0.00 -0.44 0.00 0.00 62.40 62.86 1xta h SER 81 CO 0.38 1.15 -0.64 0.20 -0.53 0.00 0.00 176.83 177.39 1xta s ASN 82 N -6.99 4.87 0.30 6.23 0.01 -1.26 -4.53 114.94 113.58 1xta s ASN 82 Ca -0.07 -0.37 -0.29 0.00 -0.71 0.00 0.00 52.86 51.41 1xta s ASN 82 Cb 0.10 -1.07 -0.10 0.00 0.41 0.00 0.00 41.25 40.59 1xta s ASN 82 CO 0.86 0.08 1.25 0.00 -1.51 0.00 0.00 177.10 177.78 1xta s ALA 83 N -1.77 3.48 0.17 0.60 0.00 -1.26 -4.85 121.76 118.13 1xta s ALA 83 Ca 0.28 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.46 1xta s ALA 83 Cb -0.09 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1xta s ALA 83 CO 0.19 -0.51 -0.14 1.03 0.00 0.00 0.00 175.76 176.34 1xta s ARG 84 N -1.52 1.20 0.53 0.00 0.52 -1.26 -4.80 118.95 113.62 1xta s ARG 84 Ca 0.49 -1.48 -0.14 0.00 -0.52 0.00 0.00 55.73 54.08 1xta s ARG 84 Cb -0.37 -0.98 -0.06 0.00 0.52 0.00 0.00 34.95 34.05 1xta s ARG 84 CO 0.48 0.16 0.97 0.95 0.02 0.00 0.00 175.30 177.88 1xta s THR 85 N -2.82 4.63 0.39 0.02 -4.23 -1.26 -4.95 115.64 107.41 1xta s THR 85 Ca 0.18 1.01 0.09 0.00 -1.18 0.00 0.00 61.69 61.79 1xta s THR 85 Cb -0.01 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.23 1xta s THR 85 CO 0.05 -0.81 1.93 -0.50 -0.54 0.00 0.00 174.62 174.75 1xta h TRP 86 N 0.57 0.30 -0.57 3.99 4.06 -1.98 -2.16 115.95 120.17 1xta h TRP 86 Ca -0.46 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.45 1xta h TRP 86 Cb 1.19 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 29.23 1xta h TRP 86 CO 0.64 0.37 0.32 1.15 -3.56 0.00 0.00 178.44 177.36 1xta h THR 87 N 0.29 1.18 -0.45 1.49 2.02 -1.95 0.92 112.91 116.41 1xta h THR 87 Ca 0.06 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1xta h THR 87 Cb 0.31 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1xta h THR 87 CO 0.01 0.20 0.22 -0.33 0.37 0.00 0.00 175.52 175.99 1xta h GLU 88 N 0.76 0.64 0.19 6.66 5.08 -1.79 -1.74 114.58 124.38 1xta h GLU 88 Ca 0.20 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1xta h GLU 88 Cb 0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1xta h GLU 88 CO -0.03 0.54 -0.09 0.82 -1.00 0.00 0.00 179.01 179.25 1xta h ILE 89 N 0.59 0.86 -0.68 3.13 1.08 -0.99 -1.39 117.51 120.10 1xta h ILE 89 Ca 0.16 -0.23 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1xta h ILE 89 Cb 0.10 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 1xta h ILE 89 CO -0.02 0.05 0.45 0.40 -0.69 0.00 0.00 178.15 178.34 1xta h ILE 90 N -0.36 1.10 -0.19 -0.67 2.04 -0.78 -0.92 117.51 117.72 1xta h ILE 90 Ca -0.03 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 1xta h ILE 90 Cb 0.28 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1xta h ILE 90 CO 0.04 0.15 -0.40 0.45 0.00 0.00 0.00 178.15 178.40 1xta h HIS 91 N 0.82 0.52 -0.34 1.37 3.86 -1.12 -0.56 115.15 119.69 1xta h HIS 91 Ca 0.27 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1xta h HIS 91 Cb 0.06 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1xta h HIS 91 CO -0.00 0.77 -0.20 -0.07 0.86 0.00 0.00 177.93 179.29 1xta h LEU 92 N 0.37 0.65 -0.33 2.43 3.38 -0.08 0.20 115.31 121.94 1xta h LEU 92 Ca 0.03 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1xta h LEU 92 Cb 0.86 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1xta h LEU 92 CO 0.07 0.85 -0.21 -0.50 0.09 0.00 0.00 178.44 178.73 1xta h TRP 93 N 0.58 0.84 -0.13 1.13 6.55 -0.97 -3.16 115.95 120.80 1xta h TRP 93 Ca 0.09 -0.23 -0.09 0.00 0.95 0.00 0.00 58.89 59.62 1xta h TRP 93 Cb 0.66 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.76 1xta h TRP 93 CO 0.03 0.96 -0.31 1.25 -1.05 0.00 0.00 178.44 179.32 1xta h HIS 94 N 0.49 0.28 0.00 0.49 2.76 -0.72 -3.02 115.15 115.43 1xta h HIS 94 Ca 0.07 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1xta h HIS 94 Cb 0.77 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.66 1xta h HIS 94 CO 0.06 0.54 0.34 -0.44 -1.30 0.00 0.00 177.93 177.14 1xta h ASP 95 N 0.22 0.00 0.21 3.26 3.45 -0.56 -1.40 116.42 121.59 1xta h ASP 95 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1xta h ASP 95 Cb 0.66 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 1xta h ASP 95 CO 0.05 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 177.10 1xta n GLU 96 N -2.66 0.02 0.31 3.56 1.02 -1.19 -1.84 120.64 119.86 1xta n GLU 96 Ca -0.02 0.42 0.17 0.00 -0.02 0.00 0.00 57.16 57.72 1xta n GLU 96 Cb 0.38 -1.55 1.00 0.00 -0.02 0.00 0.00 31.44 31.25 1xta n GLU 96 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1xta h TYR 97 N 0.00 0.00 0.00 -0.32 -0.00 -1.53 0.74 116.97 115.86 1xta h TYR 97 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 1xta h TYR 97 Cb 0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.83 1xta h TYR 97 CO 0.00 0.01 -0.08 0.87 -0.00 0.00 0.00 178.16 178.96 1xta h LYS 98 N 0.00 0.00 -0.17 0.10 1.57 -1.63 -2.32 116.57 114.12 1xta h LYS 98 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xta h LYS 98 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1xta h LYS 98 CO 0.00 0.08 -0.21 0.09 -0.57 0.00 0.00 179.45 178.84 1xta n ASN 99 N -3.48 2.34 -4.03 0.86 5.03 0.24 -4.98 115.26 111.25 1xta n ASN 99 Ca -0.02 -3.64 -0.22 0.00 0.87 0.00 0.00 54.58 51.57 1xta n ASN 99 Cb 0.21 -0.56 -0.16 0.00 -1.02 0.00 0.00 39.78 38.26 1xta n ASN 99 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1xta s PHE 100 N -3.15 1.19 -0.16 3.10 5.36 -0.87 -0.27 117.98 123.17 1xta s PHE 100 Ca 0.40 -0.34 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 1xta s PHE 100 Cb 0.37 -0.85 0.02 0.00 -0.34 0.00 0.00 43.02 42.23 1xta s PHE 100 CO -0.01 -0.15 -0.15 0.08 -1.46 0.00 0.00 175.22 173.53 1xta s VAL 101 N 0.30 1.71 0.18 3.12 1.01 -0.61 -4.92 120.40 121.19 1xta s VAL 101 Ca -0.06 -0.78 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 1xta s VAL 101 Cb -0.11 -1.62 -0.14 0.00 0.00 0.00 0.00 36.38 34.51 1xta s VAL 101 CO 0.01 0.43 1.47 0.00 0.00 0.00 0.00 175.10 177.02 1xta n TYR 102 N 4.72 2.10 0.00 5.22 4.19 -1.26 -0.54 117.16 131.58 1xta n TYR 102 Ca -0.18 0.39 0.00 0.00 3.31 0.00 0.00 57.90 61.42 1xta n TYR 102 Cb 0.49 -2.48 0.00 0.00 0.49 0.00 0.00 39.34 37.85 1xta n TYR 102 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xta n GLY 103 N 2.80 3.18 0.32 2.98 0.00 0.45 -4.74 105.19 110.19 1xta n GLY 103 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1xta n GLY 103 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xta n VAL 104 N -1.92 1.00 0.00 1.61 0.31 -0.19 -4.93 118.33 114.20 1xta n VAL 104 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1xta n VAL 104 Cb 0.00 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1xta n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xta n GLY 105 N 2.13 0.39 3.65 2.92 0.00 0.30 -4.90 105.19 109.68 1xta n GLY 105 Ca -0.34 -1.80 -0.46 0.00 0.00 0.00 0.00 46.02 43.42 1xta n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xta n ALA 106 N 0.05 0.75 -3.48 4.61 0.00 -1.26 -1.58 120.51 119.59 1xta n ALA 106 Ca 0.00 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.68 1xta n ALA 106 Cb 0.00 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.08 1xta n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xta s SER 107 N 0.38 1.76 0.77 0.00 0.15 0.63 -3.13 113.70 114.27 1xta s SER 107 Ca 0.72 -0.50 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 1xta s SER 107 Cb -0.70 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 63.96 1xta s SER 107 CO 0.47 -0.36 1.09 -2.16 1.20 0.00 0.00 173.24 173.49 1xta s PRO 108 N 2.30 2.24 0.34 5.44 0.04 -1.26 -4.33 135.00 139.78 1xta s PRO 108 Ca 0.08 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.99 1xta s PRO 108 Cb -0.15 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 1xta s PRO 108 CO -0.20 -1.65 1.35 -0.35 0.04 0.00 0.00 177.00 176.19 1xta n PRO 109 N -3.53 2.26 0.00 0.56 -0.04 -1.18 -2.16 135.00 130.92 1xta n PRO 109 Ca 0.09 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1xta n PRO 109 Cb 0.53 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1xta n PRO 109 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xta n GLY 110 N 0.80 2.92 3.72 0.55 0.00 -1.26 -5.07 105.19 106.85 1xta n GLY 110 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1xta n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xta s SER 111 N -0.92 4.20 -0.20 1.61 0.01 -0.92 -4.98 113.70 112.50 1xta s SER 111 Ca 0.00 2.34 -0.16 0.00 1.31 0.00 0.00 55.95 59.44 1xta s SER 111 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1xta s SER 111 CO 0.00 -2.26 0.43 -0.69 0.41 0.00 0.00 173.24 171.13 1xta s VAL 112 N -2.01 5.18 0.00 3.43 1.01 -1.26 -4.77 120.40 121.98 1xta s VAL 112 Ca 0.74 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1xta s VAL 112 Cb -0.29 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1xta s VAL 112 CO 0.45 0.24 0.13 0.35 0.00 0.00 0.00 175.10 176.27 1xta n THR 113 N 4.35 0.00 0.28 3.92 -2.24 -1.26 -4.85 114.28 114.48 1xta n THR 113 Ca -0.08 -0.17 0.16 0.00 -2.27 0.00 0.00 64.05 61.69 1xta n THR 113 Cb 0.51 1.51 0.90 0.00 -2.10 0.00 0.00 70.33 71.15 1xta n THR 113 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xta h GLY 114 N 0.00 0.00 1.43 3.38 0.00 -1.95 -1.50 103.07 104.43 1xta h GLY 114 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1xta h GLY 114 CO 0.00 0.00 -0.81 0.45 0.00 0.00 0.00 176.54 176.18 1xta h HIS 115 N 0.00 0.76 -0.01 5.60 3.86 -1.89 -2.43 115.15 121.03 1xta h HIS 115 Ca 0.02 -0.35 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1xta h HIS 115 Cb 0.11 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xta h HIS 115 CO 0.00 1.15 -0.01 -0.92 0.86 0.00 0.00 177.93 179.01 1xta h TYR 116 N 0.36 0.02 0.00 2.45 3.20 -1.26 -2.72 116.97 119.01 1xta h TYR 116 Ca -0.05 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1xta h TYR 116 Cb 1.42 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.68 1xta h TYR 116 CO 0.06 0.55 -0.06 1.79 -1.64 0.00 0.00 178.16 178.87 1xta h THR 117 N -0.52 0.72 -0.02 1.81 1.35 -1.36 -1.18 112.91 113.71 1xta h THR 117 Ca 0.00 -0.23 -0.23 0.00 -0.55 0.00 0.00 66.41 65.40 1xta h THR 117 Cb 0.55 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1xta h THR 117 CO 0.00 0.06 -0.94 -0.61 -0.25 0.00 0.00 175.52 173.78 1xta h GLN 118 N 0.00 0.51 -0.40 4.72 5.75 -1.42 -1.69 115.11 122.58 1xta h GLN 118 Ca -0.00 -0.53 -0.04 0.00 -0.15 0.00 0.00 58.65 57.93 1xta h GLN 118 Cb 0.13 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1xta h GLN 118 CO 0.01 1.16 0.08 0.82 -2.65 0.00 0.00 178.83 178.25 1xta h ILE 119 N 0.30 1.19 -0.52 2.39 2.04 -0.91 -2.87 117.51 119.13 1xta h ILE 119 Ca -0.09 -0.69 -0.16 0.00 1.00 0.00 0.00 64.86 64.92 1xta h ILE 119 Cb 1.58 0.81 -0.10 0.00 -0.74 0.00 0.00 36.82 38.37 1xta h ILE 119 CO 0.17 0.25 0.13 1.33 0.00 0.00 0.00 178.15 180.03 1xta n VAL 120 N -4.31 2.67 -2.40 1.67 0.24 -0.79 -4.79 118.33 110.62 1xta n VAL 120 Ca 0.02 -2.01 -0.43 0.00 -2.04 0.00 0.00 64.34 59.89 1xta n VAL 120 Cb 0.21 -0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 32.23 1xta n VAL 120 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1xta s TRP 121 N -3.03 2.74 0.27 6.34 -0.11 -0.64 -4.55 118.94 119.96 1xta s TRP 121 Ca 0.49 0.92 0.01 0.00 1.22 0.00 0.00 56.10 58.73 1xta s TRP 121 Cb 0.41 -3.67 0.56 0.00 -1.50 0.00 0.00 33.47 29.27 1xta s TRP 121 CO 0.09 -1.82 1.80 0.10 -4.62 0.00 0.00 176.95 172.49 1xta h TYR 122 N 8.71 0.98 0.00 5.86 -0.00 -1.39 -2.47 116.97 128.67 1xta h TYR 122 Ca -0.27 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.49 1xta h TYR 122 Cb 1.11 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 37.54 1xta h TYR 122 CO 0.83 0.32 0.00 0.37 -0.00 0.00 0.00 178.16 179.68 1xta h GLN 123 N 0.82 0.00 -6.19 0.10 4.15 -1.83 -2.72 115.11 109.44 1xta h GLN 123 Ca 0.49 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 59.34 1xta h GLN 123 Cb 0.59 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.23 1xta h GLN 123 CO -0.31 0.00 0.88 0.99 -1.93 0.00 0.00 178.83 178.46 1xta s THR 124 N -3.38 4.38 0.00 2.39 2.01 -0.93 -4.26 115.64 115.85 1xta s THR 124 Ca 0.05 1.64 0.00 0.00 0.31 0.00 0.00 61.69 63.69 1xta s THR 124 Cb 0.07 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1xta s THR 124 CO 0.62 -0.25 0.51 0.00 -0.69 0.00 0.00 174.62 174.81 1xta n TYR 125 N 6.76 0.00 -4.57 4.92 0.18 -1.03 -4.70 117.16 118.72 1xta n TYR 125 Ca 0.13 -0.13 -0.22 0.00 1.88 0.00 0.00 57.90 59.57 1xta n TYR 125 Cb 0.46 -0.01 -0.15 0.00 -0.38 0.00 0.00 39.34 39.25 1xta n TYR 125 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1xta s ARG 126 N -0.25 1.12 -0.02 -3.48 0.52 -0.60 -0.58 118.95 115.65 1xta s ARG 126 Ca 0.00 -0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 54.72 1xta s ARG 126 Cb 0.00 -1.06 0.01 0.00 0.52 0.00 0.00 34.95 34.42 1xta s ARG 126 CO 0.00 0.23 0.11 0.00 0.02 0.00 0.00 175.30 175.66 1xta s ALA 127 N -0.13 -0.27 -0.09 2.13 0.00 -0.69 -0.92 121.76 121.79 1xta s ALA 127 Ca 0.02 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.01 1xta s ALA 127 Cb -0.07 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1xta s ALA 127 CO 0.00 -0.11 0.24 0.20 0.00 0.00 0.00 175.76 176.08 1xta s GLY 128 N -0.53 -0.16 0.24 0.00 0.00 -0.55 -1.04 107.32 105.27 1xta s GLY 128 Ca -0.06 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.45 1xta s GLY 128 CO 0.00 0.80 0.17 0.00 0.00 0.00 0.00 173.10 174.07 1xta s ALA 130 N -3.96 -1.77 -0.02 0.00 0.00 -0.04 -4.75 121.76 111.22 1xta s ALA 130 Ca 0.39 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1xta s ALA 130 Cb 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1xta s ALA 130 CO 0.16 -0.52 -0.13 0.54 0.00 0.00 0.00 175.76 175.80 1xta s VAL 131 N -2.21 1.07 0.19 0.00 0.11 -1.26 -1.18 120.40 117.11 1xta s VAL 131 Ca -0.03 -0.56 0.10 0.00 -2.93 0.00 0.00 61.98 58.56 1xta s VAL 131 Cb -0.01 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1xta s VAL 131 CO -0.01 0.31 -0.20 -0.94 -3.33 0.00 0.00 175.10 170.92 1xta s SER 132 N -0.19 3.04 -0.27 3.54 1.04 -0.24 -4.97 113.70 115.66 1xta s SER 132 Ca 0.03 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.47 1xta s SER 132 Cb -0.07 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1xta s SER 132 CO -0.00 0.02 0.14 -0.47 0.98 0.00 0.00 173.24 173.91 1xta s TYR 133 N -2.02 3.17 -0.63 5.02 5.04 -1.26 -2.02 117.35 124.64 1xta s TYR 133 Ca 0.19 -0.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.79 1xta s TYR 133 Cb -0.06 -2.32 0.21 0.00 0.35 0.00 0.00 41.96 40.14 1xta s TYR 133 CO 0.09 -0.23 0.60 0.00 -1.34 0.00 0.00 175.55 174.67 1xta h PRO 135 N 4.72 0.36 -0.01 0.00 0.11 -1.88 -1.78 132.00 133.53 1xta h PRO 135 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1xta h PRO 135 Cb 0.73 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1xta h PRO 135 CO 0.73 0.24 -0.21 0.43 -0.21 0.00 0.00 178.00 178.98 1xta n SER 136 N -4.51 1.06 -4.83 -2.05 7.64 -1.26 -4.92 113.62 104.75 1xta n SER 136 Ca 0.20 -0.96 -0.23 0.00 1.01 0.00 0.00 58.87 58.89 1xta n SER 136 Cb 0.75 0.10 0.07 0.00 -1.01 0.00 0.00 64.21 64.12 1xta n SER 136 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1xta s SER 137 N -2.42 4.79 0.17 6.43 0.01 -0.67 -5.00 113.70 117.01 1xta s SER 137 Ca 0.27 -0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.26 1xta s SER 137 Cb 0.20 -0.52 0.12 0.00 0.21 0.00 0.00 66.02 66.02 1xta s SER 137 CO 0.49 -1.53 1.69 0.00 0.41 0.00 0.00 173.24 174.30 1xta h ALA 138 N -0.29 0.36 -3.65 1.44 0.00 -1.91 -3.41 119.26 111.80 1xta h ALA 138 Ca -0.40 0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.09 1xta h ALA 138 Cb 1.29 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 19.09 1xta h ALA 138 CO 0.48 -0.41 -0.82 -1.58 0.00 0.00 0.00 179.25 176.92 1xta s TRP 139 N -6.19 1.76 -0.78 0.00 0.51 -1.26 -5.04 118.94 107.94 1xta s TRP 139 Ca -0.14 -0.42 0.26 0.00 -2.12 0.00 0.00 56.10 53.68 1xta s TRP 139 Cb 0.14 -0.96 0.63 0.00 -0.81 0.00 0.00 33.47 32.47 1xta s TRP 139 CO 0.71 0.20 1.55 0.43 -0.51 0.00 0.00 176.95 179.33 1xta n SER 140 N 1.08 0.59 -4.28 2.95 7.64 -1.24 -4.70 113.62 115.67 1xta n SER 140 Ca -0.20 0.24 -0.35 0.00 1.01 0.00 0.00 58.87 59.57 1xta n SER 140 Cb 0.54 -0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 63.41 1xta n SER 140 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xta s TYR 141 N -3.10 2.95 -0.21 1.43 1.51 -0.83 0.79 117.35 119.89 1xta s TYR 141 Ca 0.09 -1.06 0.01 0.00 -1.01 0.00 0.00 57.07 55.10 1xta s TYR 141 Cb 0.15 -2.09 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1xta s TYR 141 CO 0.66 -0.59 -0.14 0.12 -1.11 0.00 0.00 175.55 174.48 1xta s PHE 142 N 1.45 2.75 -0.12 2.71 5.99 -0.86 -1.04 117.98 128.86 1xta s PHE 142 Ca 0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 56.93 55.15 1xta s PHE 142 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 43.02 41.03 1xta s PHE 142 CO -0.04 -0.80 0.04 0.71 -0.00 0.00 0.00 175.22 175.13 1xta s TYR 143 N 1.29 3.25 -0.04 10.12 2.02 0.25 -1.08 117.35 133.15 1xta s TYR 143 Ca -0.01 0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 1xta s TYR 143 Cb -0.16 -1.90 0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1xta s TYR 143 CO -0.09 0.39 0.04 0.08 -1.57 0.00 0.00 175.55 174.40 1xta s VAL 144 N -0.49 0.00 -0.10 0.71 1.01 -0.33 -1.45 120.40 119.76 1xta s VAL 144 Ca 0.09 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1xta s VAL 144 Cb -0.12 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1xta s VAL 144 CO 0.02 0.17 -0.19 0.00 0.00 0.00 0.00 175.10 175.10 1xta s GLN 146 N 0.67 2.62 -0.04 0.00 -0.21 0.11 -0.98 119.66 121.81 1xta s GLN 146 Ca -0.12 -0.69 0.06 0.00 0.02 0.00 0.00 55.36 54.62 1xta s GLN 146 Cb -0.16 -2.55 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 1xta s GLN 146 CO 0.03 0.61 -0.23 0.71 -2.12 0.00 0.00 175.29 174.29 1xta s TYR 147 N -1.02 2.15 -0.03 0.91 1.51 0.01 -1.49 117.35 119.39 1xta s TYR 147 Ca 0.18 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1xta s TYR 147 Cb -0.11 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1xta s TYR 147 CO 0.08 -0.15 -0.03 0.00 -1.11 0.00 0.00 175.55 174.34 1xta s PRO 149 N 0.75 1.48 0.53 0.00 0.04 -1.26 -1.56 135.00 134.97 1xta s PRO 149 Ca -0.09 0.57 -0.22 0.00 0.04 0.00 0.00 61.00 61.31 1xta s PRO 149 Cb -0.12 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1xta s PRO 149 CO -0.00 -2.03 1.30 0.45 0.04 0.00 0.00 177.00 176.76 1xta s SER 150 N -3.79 5.47 0.19 6.66 0.15 0.12 -4.35 113.70 118.15 1xta s SER 150 Ca 0.63 2.62 0.03 0.00 0.70 0.00 0.00 55.95 59.92 1xta s SER 150 Cb -0.16 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1xta s SER 150 CO 0.55 -1.42 0.22 0.61 1.20 0.00 0.00 173.24 174.40 1xta n GLY 151 N 0.64 2.28 3.14 9.45 0.00 -1.26 -4.77 105.19 114.67 1xta n GLY 151 Ca 0.10 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 1xta n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xta n ASN 152 N -2.50 -5.54 -4.74 1.61 5.03 -1.26 -4.89 115.26 102.96 1xta n ASN 152 Ca 0.03 -0.41 -0.42 0.00 0.87 0.00 0.00 54.58 54.66 1xta n ASN 152 Cb 0.20 -4.18 -0.00 0.00 -1.02 0.00 0.00 39.78 34.78 1xta n ASN 152 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1xta n PHE 153 N -4.51 2.71 -1.66 3.10 7.35 -1.26 -4.80 117.46 118.39 1xta n PHE 153 Ca -0.01 0.48 -0.50 0.00 -0.76 0.00 0.00 57.45 56.66 1xta n PHE 153 Cb 0.56 -2.49 -0.05 0.00 0.35 0.00 0.00 39.48 37.84 1xta n PHE 153 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1xta n GLN 154 N 0.60 1.75 -0.53 -4.13 7.27 -1.26 -1.42 117.38 119.65 1xta n GLN 154 Ca 0.03 0.64 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1xta n GLN 154 Cb 0.38 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 30.64 1xta n GLN 154 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xta n GLY 155 N 3.67 1.17 0.01 1.69 0.00 -1.26 -4.85 105.19 105.62 1xta n GLY 155 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1xta n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xta n LYS 156 N -2.00 -0.03 0.21 1.61 4.76 -0.51 -4.75 118.16 117.45 1xta n LYS 156 Ca 0.00 -0.75 0.18 0.00 -2.87 0.00 0.00 58.31 54.87 1xta n LYS 156 Cb 0.00 -1.01 0.84 0.00 -1.84 0.00 0.00 35.03 33.03 1xta n LYS 156 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1xta h THR 157 N 0.05 0.37 0.00 -0.18 1.35 -1.87 -1.73 112.91 110.90 1xta h THR 157 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1xta h THR 157 Cb 0.13 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1xta h THR 157 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1xta n ALA 158 N -2.26 2.10 -3.50 6.62 0.00 -1.26 -4.04 120.51 118.16 1xta n ALA 158 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 1xta n ALA 158 Cb 0.36 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 1xta n ALA 158 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xta n THR 159 N -2.22 0.76 0.54 0.00 -2.24 -0.65 -0.41 114.28 110.05 1xta n THR 159 Ca 0.05 -4.49 0.07 0.00 -2.27 0.00 0.00 64.05 57.40 1xta n THR 159 Cb 0.37 -2.00 0.31 0.00 -2.10 0.00 0.00 70.33 66.91 1xta n THR 159 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1xta n PRO 160 N 1.70 0.07 -3.84 -0.78 -0.04 -1.26 -4.82 135.00 126.03 1xta n PRO 160 Ca 0.25 0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.87 1xta n PRO 160 Cb 0.43 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1xta n PRO 160 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xta s TYR 161 N -2.85 -0.15 -0.00 0.54 -0.85 -1.26 -1.04 117.35 111.74 1xta s TYR 161 Ca 0.09 -0.32 -0.18 0.00 -0.52 0.00 0.00 57.07 56.14 1xta s TYR 161 Cb 0.09 0.72 -0.06 0.00 0.38 0.00 0.00 41.96 43.09 1xta s TYR 161 CO 0.23 -1.23 0.51 0.21 -1.52 0.00 0.00 175.55 173.76 1xta s LYS 162 N -3.65 4.18 0.18 -3.49 2.20 -1.26 -5.01 119.74 112.89 1xta s LYS 162 Ca 0.12 0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 1xta s LYS 162 Cb -0.05 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1xta s LYS 162 CO 0.07 0.49 1.16 -0.51 -0.36 0.00 0.00 175.35 176.20 1xta s LEU 163 N -0.53 4.46 0.00 5.43 1.43 -1.26 -1.12 118.68 127.09 1xta s LEU 163 Ca 0.27 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1xta s LEU 163 Cb -0.18 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1xta s LEU 163 CO 0.15 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.02 1xta n GLY 164 N 2.19 0.24 3.76 -3.19 0.00 -1.13 -4.64 105.19 102.42 1xta n GLY 164 Ca 0.04 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 1xta n GLY 164 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xta s PRO 165 N -2.00 2.85 0.25 1.61 0.04 -1.26 -3.25 135.00 133.24 1xta s PRO 165 Ca 0.00 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 1xta s PRO 165 Cb 0.00 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 1xta s PRO 165 CO 0.00 -1.24 1.56 -0.35 0.04 0.00 0.00 177.00 177.02 1xta n PRO 166 N -2.12 2.48 -1.11 0.56 -0.04 -1.21 -1.27 135.00 132.28 1xta n PRO 166 Ca 0.11 0.88 -0.04 0.00 -0.04 0.00 0.00 63.50 64.42 1xta n PRO 166 Cb 0.51 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.31 1xta n PRO 166 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xta h GLY 168 N 0.00 0.35 -0.86 0.00 0.00 -1.05 -0.67 103.07 100.84 1xta h GLY 168 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1xta h GLY 168 CO 0.11 0.08 0.00 1.22 0.00 0.00 0.00 176.54 177.96 1xta n ASP 169 N -4.47 1.90 -2.98 0.19 10.43 -0.47 -4.46 116.55 116.70 1xta n ASP 169 Ca 0.06 -1.64 -0.14 0.00 2.57 0.00 0.00 54.79 55.64 1xta n ASP 169 Cb 0.30 -0.01 0.02 0.00 1.84 0.00 0.00 41.12 43.27 1xta n ASP 169 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xta h PRO 171 N 2.95 0.00 -0.40 0.00 0.13 -1.73 -2.04 132.00 130.92 1xta h PRO 171 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xta h PRO 171 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1xta h PRO 171 CO 0.36 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.01 1xta n SER 172 N -3.85 3.27 -3.02 1.44 3.41 -1.26 -4.47 113.62 109.15 1xta n SER 172 Ca -0.03 -1.96 -0.17 0.00 -0.26 0.00 0.00 58.87 56.45 1xta n SER 172 Cb 0.10 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 1xta n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xta n ALA 173 N 1.36 0.92 -3.54 7.33 0.00 -0.77 -5.08 120.51 120.73 1xta n ALA 173 Ca 0.19 -2.62 -0.23 0.00 0.00 0.00 0.00 53.44 50.78 1xta n ALA 173 Cb 0.57 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 1xta n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xta s ASP 175 N 0.82 4.77 -1.41 0.00 2.15 0.56 -4.83 116.67 118.73 1xta s ASP 175 Ca -0.12 -2.81 -0.01 0.00 0.43 0.00 0.00 52.55 50.04 1xta s ASP 175 Cb -0.15 -1.73 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 1xta s ASP 175 CO 0.02 -0.32 0.45 -3.20 -0.17 0.00 0.00 175.17 171.95 1xta n ASN 176 N 3.46 -0.47 0.00 -0.34 4.05 -1.26 -2.08 115.26 118.62 1xta n ASN 176 Ca 0.06 -0.99 0.00 0.00 0.45 0.00 0.00 54.58 54.10 1xta n ASN 176 Cb 0.36 -3.14 0.00 0.00 1.23 0.00 0.00 39.78 38.23 1xta n ASN 176 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xta n GLY 177 N -1.94 0.37 3.26 8.20 0.00 -1.26 -4.94 105.19 108.89 1xta n GLY 177 Ca -0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1xta n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xta s LEU 178 N 0.00 2.12 0.35 0.99 1.43 -0.88 -4.07 118.68 118.62 1xta s LEU 178 Ca 0.00 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.33 1xta s LEU 178 Cb 0.00 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.73 1xta s LEU 178 CO 0.00 0.22 1.06 0.00 0.23 0.00 0.00 176.35 177.86 1xta n THR 180 N 0.42 1.95 -3.17 0.00 -2.24 -0.22 -0.47 114.28 110.55 1xta n THR 180 Ca 0.03 -2.26 -0.26 0.00 -2.27 0.00 0.00 64.05 59.28 1xta n THR 180 Cb 0.48 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1xta n THR 180 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xta n ASN 181 N -1.32 3.73 -4.78 3.42 6.94 -1.26 -5.03 115.26 116.97 1xta n ASN 181 Ca 0.17 -3.49 -0.37 0.00 -0.02 0.00 0.00 54.58 50.87 1xta n ASN 181 Cb 0.67 -0.61 -0.02 0.00 -2.36 0.00 0.00 39.78 37.46 1xta n ASN 181 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1xta s PRO 182 N -2.87 3.94 -0.27 -0.53 0.04 -1.26 -0.51 135.00 133.54 1xta s PRO 182 Ca 0.44 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 1xta s PRO 182 Cb 0.22 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 1xta s PRO 182 CO -0.08 -0.38 0.80 0.00 0.04 0.00 0.00 177.00 177.38 1xta n THR 184 N 5.36 0.61 -4.40 0.00 -2.24 -1.26 -4.82 114.28 107.53 1xta n THR 184 Ca 0.04 -0.51 -0.26 0.00 -2.27 0.00 0.00 64.05 61.06 1xta n THR 184 Cb 0.48 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.75 1xta n THR 184 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1xta s ILE 185 N -1.57 2.61 0.02 2.28 -4.36 -1.26 -5.15 121.20 113.78 1xta s ILE 185 Ca 0.24 -2.04 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1xta s ILE 185 Cb 0.14 -2.30 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 1xta s ILE 185 CO 0.15 -0.20 -0.09 -0.31 0.24 0.00 0.00 174.94 174.73 1xta s TYR 186 N -1.92 0.80 0.25 1.37 1.51 -1.26 -4.57 117.35 113.54 1xta s TYR 186 Ca 0.24 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1xta s TYR 186 Cb -0.07 -0.49 -0.09 0.00 -0.11 0.00 0.00 41.96 41.20 1xta s TYR 186 CO 0.13 -0.02 1.22 -0.80 -1.11 0.00 0.00 175.55 174.97 1xta s ASN 187 N -0.92 7.01 0.16 2.29 0.02 -1.26 -4.46 114.94 117.78 1xta s ASN 187 Ca -0.02 2.40 0.20 0.00 -1.02 0.00 0.00 52.86 54.43 1xta s ASN 187 Cb -0.07 -2.62 -0.04 0.00 0.02 0.00 0.00 41.25 38.54 1xta s ASN 187 CO 0.00 -0.38 0.99 0.11 0.02 0.00 0.00 177.10 177.84 1xta h LYS 188 N 4.38 0.00 -6.19 -0.60 1.57 -0.36 -3.47 116.57 111.89 1xta h LYS 188 Ca -0.46 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.80 1xta h LYS 188 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1xta h LYS 188 CO 0.71 0.11 -0.52 -0.51 -0.57 0.00 0.00 179.45 178.67 1xta s LEU 189 N -5.56 3.89 0.00 2.94 1.43 -1.22 -5.03 118.68 115.13 1xta s LEU 189 Ca -0.01 -0.18 0.25 0.00 -1.03 0.00 0.00 54.13 53.16 1xta s LEU 189 Cb 0.09 -2.44 0.42 0.00 0.03 0.00 0.00 46.19 44.29 1xta s LEU 189 CO 0.79 -0.02 1.35 0.35 0.23 0.00 0.00 176.35 179.05 1xta n THR 190 N -1.02 0.00 -1.80 5.49 -2.24 -1.26 -4.25 114.28 109.19 1xta n THR 190 Ca -0.08 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 1xta n THR 190 Cb 0.57 0.58 0.13 0.00 -2.10 0.00 0.00 70.33 69.51 1xta n THR 190 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xta n ASN 191 N -0.92 2.83 -0.28 3.42 6.94 -1.26 -4.82 115.26 121.17 1xta n ASN 191 Ca 0.09 -3.76 0.04 0.00 -0.02 0.00 0.00 54.58 50.92 1xta n ASN 191 Cb 0.36 -0.45 0.25 0.00 -2.36 0.00 0.00 39.78 37.58 1xta n ASN 191 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xta h ASP 193 N 1.01 0.97 -0.12 0.00 3.32 -1.95 0.58 116.42 120.23 1xta h ASP 193 Ca 0.37 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 1xta h ASP 193 Cb 0.16 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xta h ASP 193 CO -0.13 0.65 -0.05 -1.28 -1.72 0.00 0.00 179.24 176.72 1xta h SER 194 N 1.13 0.25 -0.79 6.45 0.87 -1.73 -2.74 113.55 116.98 1xta h SER 194 Ca 0.38 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1xta h SER 194 Cb 0.06 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1xta h SER 194 CO -0.14 0.59 0.53 -0.07 -0.53 0.00 0.00 176.83 177.21 1xta h LEU 195 N -0.08 0.91 -0.92 2.23 3.38 -0.84 -2.36 115.31 117.64 1xta h LEU 195 Ca 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xta h LEU 195 Cb 0.49 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xta h LEU 195 CO 0.02 0.66 0.09 -0.07 0.09 0.00 0.00 178.44 179.23 1xta h LEU 196 N 1.08 0.84 -1.40 1.67 4.07 -0.92 -0.34 115.31 120.31 1xta h LEU 196 Ca 0.29 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 1xta h LEU 196 Cb -0.12 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.39 1xta h LEU 196 CO -0.06 0.85 -0.17 0.11 -1.08 0.00 0.00 178.44 178.09 1xta h LYS 197 N 0.84 0.19 0.03 1.13 1.57 -1.12 -1.13 116.57 118.08 1xta h LYS 197 Ca 0.17 -0.05 -0.35 0.00 -1.87 0.00 0.00 60.65 58.56 1xta h LYS 197 Cb 0.37 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1xta h LYS 197 CO 0.01 0.36 -2.10 0.00 -0.57 0.00 0.00 179.45 177.15 1xta n GLN 198 N -4.26 0.68 0.00 3.15 10.64 -0.95 -4.71 117.38 121.94 1xta n GLN 198 Ca -0.01 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1xta n GLN 198 Cb 0.28 -1.65 -0.00 0.00 -0.86 0.00 0.00 30.24 28.01 1xta n GLN 198 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1xta n SER 199 N -3.14 0.11 -0.44 2.61 7.64 -0.17 -5.12 113.62 115.10 1xta n SER 199 Ca -0.30 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1xta n SER 199 Cb 1.06 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 65.20 1xta n SER 199 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xta n SER 200 N -0.95 -3.59 -0.67 6.43 3.41 -0.43 -4.04 113.62 113.78 1xta n SER 200 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1xta n SER 200 Cb 0.01 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.33 1xta n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xta h GLN 202 N 3.17 0.00 -6.33 0.00 1.08 -1.98 -3.40 115.11 107.66 1xta h GLN 202 Ca 0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 1xta h GLN 202 Cb 0.68 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1xta h GLN 202 CO 0.00 0.36 0.84 0.34 -0.95 0.00 0.00 178.83 179.42 1xta s ASP 203 N -6.35 6.88 0.20 1.46 -1.08 -1.19 -4.92 116.67 111.65 1xta s ASP 203 Ca 0.02 2.03 -0.11 0.00 -0.52 0.00 0.00 52.55 53.97 1xta s ASP 203 Cb 0.09 -2.56 0.18 0.00 -1.46 0.00 0.00 42.92 39.17 1xta s ASP 203 CO 0.69 -0.72 1.81 0.44 0.52 0.00 0.00 175.17 177.92 1xta h ASP 204 N 7.96 0.54 -0.73 -0.34 3.32 -1.91 -1.71 116.42 123.55 1xta h ASP 204 Ca -0.36 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1xta h ASP 204 Cb 1.17 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1xta h ASP 204 CO 0.91 0.36 0.29 -0.25 -1.72 0.00 0.00 179.24 178.84 1xta h TRP 205 N 0.67 1.12 -0.48 4.55 7.01 -1.96 -1.77 115.95 125.09 1xta h TRP 205 Ca 0.26 -0.08 -0.09 0.00 2.11 0.00 0.00 58.89 61.09 1xta h TRP 205 Cb 0.10 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1xta h TRP 205 CO -0.07 0.85 -0.06 0.82 -2.79 0.00 0.00 178.44 177.19 1xta h ILE 206 N 1.08 1.27 0.00 2.65 2.04 -1.78 -0.62 117.51 122.14 1xta h ILE 206 Ca 0.25 -1.16 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 1xta h ILE 206 Cb 0.21 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1xta h ILE 206 CO -0.02 0.40 -0.32 0.07 0.00 0.00 0.00 178.15 178.29 1xta h LYS 207 N 0.74 0.00 -0.01 2.37 2.10 -1.09 0.33 116.57 121.01 1xta h LYS 207 Ca 0.13 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.56 1xta h LYS 207 Cb 0.59 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1xta h LYS 207 CO 0.04 0.32 -0.90 1.03 -2.00 0.00 0.00 179.45 177.93 1xta h SER 208 N 0.00 0.46 -0.00 7.07 0.87 -0.97 -3.15 113.55 117.83 1xta h SER 208 Ca -0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1xta h SER 208 Cb 0.60 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1xta h SER 208 CO 0.04 1.16 -0.83 0.59 -0.53 0.00 0.00 176.83 177.25 1xta n ASN 209 N -3.73 1.32 -2.54 6.23 3.02 -0.27 -4.45 115.26 114.83 1xta n ASN 209 Ca -0.06 -1.16 -0.14 0.00 -0.03 0.00 0.00 54.58 53.19 1xta n ASN 209 Cb 0.81 0.84 0.03 0.00 -0.61 0.00 0.00 39.78 40.85 1xta n ASN 209 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xta h PRO 211 N 2.66 0.05 0.36 0.00 0.13 -1.74 -1.56 132.00 131.90 1xta h PRO 211 Ca 0.07 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1xta h PRO 211 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xta h PRO 211 CO 0.56 0.04 -0.17 0.00 -0.23 0.00 0.00 178.00 178.20 1xta h ALA 212 N 1.88 -0.48 -0.50 -0.56 0.00 -1.80 -0.15 119.26 117.65 1xta h ALA 212 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xta h ALA 212 Cb 0.35 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1xta h ALA 212 CO -0.01 -0.63 0.18 0.77 0.00 0.00 0.00 179.25 179.56 1xta h SER 213 N -0.77 0.66 0.55 0.00 0.02 -1.84 -0.38 113.55 111.80 1xta h SER 213 Ca -0.05 -0.08 -0.22 0.00 -0.84 0.00 0.00 61.79 60.59 1xta h SER 213 Cb 0.51 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1xta h SER 213 CO 0.08 0.61 -0.99 0.00 -1.14 0.00 0.00 176.83 175.39 1xta n PHE 215 N -3.63 0.00 -2.65 0.00 3.72 -0.07 -5.01 117.46 109.81 1xta n PHE 215 Ca -0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 1xta n PHE 215 Cb 0.87 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 39.37 1xta n PHE 215 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xta s ARG 217 N 1.15 1.99 -1.44 0.00 1.81 -1.26 -4.76 118.95 116.44 1xta s ARG 217 Ca 0.53 -0.58 -0.11 0.00 -1.72 0.00 0.00 55.73 53.85 1xta s ARG 217 Cb -0.22 -1.63 0.04 0.00 -0.45 0.00 0.00 34.95 32.69 1xta s ARG 217 CO 0.27 0.15 1.10 0.09 -0.68 0.00 0.00 175.30 176.23 1xta n ASN 218 N 3.48 -5.73 -4.10 0.23 3.02 -1.26 -4.99 115.26 105.92 1xta n ASN 218 Ca -0.20 -0.64 -0.11 0.00 -0.03 0.00 0.00 54.58 53.60 1xta n ASN 218 Cb 0.52 -4.54 -0.11 0.00 -0.61 0.00 0.00 39.78 35.05 1xta n ASN 218 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xta s LYS 219 N -6.45 0.63 -0.28 3.52 1.02 -1.26 -4.95 119.74 111.96 1xta s LYS 219 Ca 0.63 -1.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 1xta s LYS 219 Cb -0.29 -0.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1xta s LYS 219 CO 0.77 -0.01 1.08 0.42 -0.92 0.00 0.00 175.35 176.69 1xta s ILE 220 N -2.65 4.54 -1.58 2.17 -1.09 0.33 -4.76 121.20 118.17 1xta s ILE 220 Ca 0.00 1.82 0.13 0.00 -2.23 0.00 0.00 60.65 60.37 1xta s ILE 220 Cb -0.01 -4.35 0.10 0.00 -1.58 0.00 0.00 42.46 36.62 1xta s ILE 220 CO -0.03 -0.36 0.90 -0.38 -1.23 0.00 0.00 174.94 173.84