#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nis s ALA 3 N 0.00 3.20 -0.72 5.13 0.00 -1.26 -5.00 121.76 123.11 1nis s ALA 3 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1nis s ALA 3 Cb 0.00 -2.92 0.21 0.00 0.00 0.00 0.00 23.12 20.41 1nis s ALA 3 CO 0.00 -0.23 0.64 1.63 0.00 0.00 0.00 175.76 177.80 1nis n LYS 4 N -1.69 2.23 -4.05 0.00 5.02 -1.26 -4.94 118.16 113.46 1nis n LYS 4 Ca 0.04 -4.56 -0.35 0.00 -2.02 0.00 0.00 58.31 51.43 1nis n LYS 4 Cb 0.54 -2.30 -0.11 0.00 -0.02 0.00 0.00 35.03 33.14 1nis n LYS 4 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nis s VAL 5 N -1.84 4.39 0.52 -0.18 1.01 -1.26 -5.03 120.40 118.01 1nis s VAL 5 Ca 0.30 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1nis s VAL 5 Cb 0.02 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 1nis s VAL 5 CO -0.11 0.44 1.05 0.00 0.00 0.00 0.00 175.10 176.48 1nis s ALA 6 N 0.72 2.82 0.37 5.51 0.00 -1.26 -0.89 121.76 129.03 1nis s ALA 6 Ca 0.02 0.55 0.20 0.00 0.00 0.00 0.00 51.96 52.73 1nis s ALA 6 Cb -0.14 -3.25 1.07 0.00 0.00 0.00 0.00 23.12 20.80 1nis s ALA 6 CO 0.02 -0.49 1.94 0.52 0.00 0.00 0.00 175.76 177.75 1nis h MET 7 N 1.19 0.00 -2.72 0.00 2.86 -0.81 -3.43 114.93 112.02 1nis h MET 7 Ca -0.49 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.25 1nis h MET 7 Cb 1.22 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.83 1nis h MET 7 CO 0.58 0.23 0.37 -1.54 1.06 0.00 0.00 176.91 177.61 1nis s SER 8 N -6.54 -0.15 0.15 1.22 1.04 -1.26 -4.78 113.70 103.38 1nis s SER 8 Ca -0.02 -0.65 0.21 0.00 0.48 0.00 0.00 55.95 55.96 1nis s SER 8 Cb 0.13 0.64 0.86 0.00 0.10 0.00 0.00 66.02 67.76 1nis s SER 8 CO 0.65 -1.22 1.65 1.41 0.98 0.00 0.00 173.24 176.71 1nis n HIS 9 N -0.51 0.50 0.80 5.02 -0.00 -1.26 -2.84 115.22 116.92 1nis n HIS 9 Ca -0.05 0.19 0.10 0.00 -0.00 0.00 0.00 57.72 57.95 1nis n HIS 9 Cb 0.60 -0.80 -0.12 0.00 -0.00 0.00 0.00 29.99 29.66 1nis n HIS 9 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1nis n PHE 10 N -1.95 0.00 -3.54 4.41 3.72 -1.26 -4.57 117.46 114.28 1nis n PHE 10 Ca 0.03 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.16 1nis n PHE 10 Cb 0.23 -0.07 -0.09 0.00 -0.94 0.00 0.00 39.48 38.61 1nis n PHE 10 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nis n GLU 11 N -1.58 1.74 0.00 -1.08 1.02 -1.13 -4.96 120.64 114.65 1nis n GLU 11 Ca 0.03 -4.21 0.04 0.00 -0.02 0.00 0.00 57.16 53.00 1nis n GLU 11 Cb 0.34 -2.04 0.21 0.00 -0.02 0.00 0.00 31.44 29.93 1nis n GLU 11 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1nis n PRO 12 N 1.54 0.04 0.00 3.49 -0.04 -1.26 -1.82 135.00 136.96 1nis n PRO 12 Ca 0.25 0.30 0.04 0.00 -0.04 0.00 0.00 63.50 64.06 1nis n PRO 12 Cb 0.42 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 1nis n PRO 12 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1nis n HIS 13 N -1.43 0.00 -3.55 0.54 1.44 -1.26 -4.70 115.22 106.25 1nis n HIS 13 Ca 0.03 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.33 1nis n HIS 13 Cb 0.10 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.10 1nis n HIS 13 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1nis s GLU 14 N -1.59 2.98 0.06 -1.40 0.41 -0.75 -5.05 118.70 113.35 1nis s GLU 14 Ca 0.06 -0.99 -0.07 0.00 -0.41 0.00 0.00 54.97 53.56 1nis s GLU 14 Cb 0.07 -3.81 -0.05 0.00 -1.78 0.00 0.00 34.13 28.57 1nis s GLU 14 CO 0.31 -0.67 0.33 0.71 -0.49 0.00 0.00 175.26 175.45 1nis s TYR 15 N 1.62 3.56 0.23 1.61 2.02 -1.26 -0.29 117.35 124.84 1nis s TYR 15 Ca 0.04 0.63 -0.30 0.00 -0.37 0.00 0.00 57.07 57.07 1nis s TYR 15 Cb -0.19 -2.04 -0.09 0.00 -0.40 0.00 0.00 41.96 39.24 1nis s TYR 15 CO 0.08 0.55 1.38 0.42 -1.57 0.00 0.00 175.55 176.41 1nis s ILE 16 N -1.40 2.89 -0.79 2.71 1.01 -0.07 -4.79 121.20 120.75 1nis s ILE 16 Ca 0.32 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.74 1nis s ILE 16 Cb -0.13 -3.47 0.29 0.00 0.01 0.00 0.00 42.46 39.15 1nis s ILE 16 CO 0.19 0.12 1.09 0.54 0.00 0.00 0.00 174.94 176.87 1nis n ARG 17 N 2.46 3.47 0.25 2.79 5.12 -1.26 -4.77 116.66 124.72 1nis n ARG 17 Ca 0.06 -4.67 0.14 0.00 -1.93 0.00 0.00 57.85 51.45 1nis n ARG 17 Cb 0.41 -2.35 0.50 0.00 -1.16 0.00 0.00 32.46 29.87 1nis n ARG 17 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1nis h TYR 18 N 4.37 0.00 -0.48 -1.55 0.05 -1.98 -2.16 116.97 115.22 1nis h TYR 18 Ca 0.22 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.96 1nis h TYR 18 Cb 0.59 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 1nis h TYR 18 CO 0.88 0.07 0.16 0.38 -1.05 0.00 0.00 178.16 178.60 1nis h ASP 19 N 0.00 0.68 -0.11 3.88 2.03 -1.99 0.00 116.42 120.92 1nis h ASP 19 Ca -0.00 -0.20 -0.01 0.00 -0.73 0.00 0.00 57.03 56.10 1nis h ASP 19 Cb 0.70 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1nis h ASP 19 CO 0.01 0.70 0.04 -0.07 -1.03 0.00 0.00 179.24 178.89 1nis h LEU 20 N 0.63 0.15 -0.51 0.15 -0.00 -1.89 -1.04 115.31 112.80 1nis h LEU 20 Ca 0.16 -0.17 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1nis h LEU 20 Cb 0.25 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 40.81 1nis h LEU 20 CO -0.01 0.28 0.17 0.25 -0.00 0.00 0.00 178.44 179.13 1nis h LEU 21 N 0.02 0.15 -0.07 1.67 5.85 -1.13 -0.83 115.31 120.97 1nis h LEU 21 Ca 0.04 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1nis h LEU 21 Cb 0.17 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1nis h LEU 21 CO -0.00 0.11 0.02 -0.08 -0.34 0.00 0.00 178.44 178.15 1nis h GLU 22 N 0.34 0.11 -0.66 1.25 4.81 -0.83 -1.47 114.58 118.13 1nis h GLU 22 Ca 0.25 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.58 1nis h GLU 22 Cb 0.29 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 1nis h GLU 22 CO -0.27 0.29 0.21 -0.22 -0.73 0.00 0.00 179.01 178.29 1nis h LYS 23 N -0.09 0.35 -0.26 1.92 3.64 -1.00 -0.70 116.57 120.43 1nis h LYS 23 Ca 0.02 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1nis h LYS 23 Cb 0.23 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1nis h LYS 23 CO -0.00 0.23 -0.48 -0.91 -2.27 0.00 0.00 179.45 176.02 1nis h ASN 24 N 0.36 0.77 -0.56 4.20 2.35 -0.91 -1.83 115.58 119.96 1nis h ASN 24 Ca 0.35 -0.39 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1nis h ASN 24 Cb 0.50 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 1nis h ASN 24 CO -0.38 1.13 0.35 0.40 -1.65 0.00 0.00 177.43 177.27 1nis h ILE 25 N 0.56 1.16 -0.51 2.81 2.04 -0.75 -2.07 117.51 120.76 1nis h ILE 25 Ca 0.03 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 1nis h ILE 25 Cb 1.04 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1nis h ILE 25 CO 0.10 0.17 -0.16 0.44 0.00 0.00 0.00 178.15 178.69 1nis h ASP 26 N 0.76 1.02 -0.51 1.72 3.32 -1.11 0.50 116.42 122.13 1nis h ASP 26 Ca 0.20 -0.37 0.05 0.00 0.02 0.00 0.00 57.03 56.93 1nis h ASP 26 Cb -0.03 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.19 1nis h ASP 26 CO -0.04 1.16 0.25 0.40 -1.72 0.00 0.00 179.24 179.29 1nis h ILE 27 N 0.87 0.94 -0.31 0.35 2.04 -1.07 -2.86 117.51 117.46 1nis h ILE 27 Ca 0.12 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 1nis h ILE 27 Cb 0.74 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1nis h ILE 27 CO 0.06 0.09 -0.22 0.58 0.00 0.00 0.00 178.15 178.65 1nis h VAL 28 N 0.49 1.30 0.00 1.67 2.07 -1.19 -2.92 116.25 117.66 1nis h VAL 28 Ca 0.23 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1nis h VAL 28 Cb 0.16 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1nis h VAL 28 CO -0.17 0.44 0.00 0.08 0.02 0.00 0.00 177.57 177.94 1nis h ARG 29 N 0.46 0.00 0.00 1.57 0.11 -0.90 -0.32 114.38 115.31 1nis h ARG 29 Ca 0.06 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.10 1nis h ARG 29 Cb 0.78 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.85 1nis h ARG 29 CO 0.06 0.00 -0.21 0.87 0.10 0.00 0.00 179.97 180.79 1nis h LYS 30 N 0.00 0.00 0.16 0.08 6.56 -1.32 -0.77 116.57 121.28 1nis h LYS 30 Ca 0.00 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.31 1nis h LYS 30 Cb 0.60 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1nis h LYS 30 CO 0.00 0.21 -1.32 0.00 -2.06 0.00 0.00 179.45 176.28 1nis h ARG 31 N 0.00 0.34 0.00 3.15 3.08 -1.06 -3.39 114.38 116.49 1nis h ARG 31 Ca -0.00 -0.57 -0.14 0.00 0.07 0.00 0.00 59.98 59.34 1nis h ARG 31 Cb 1.01 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1nis h ARG 31 CO 0.03 1.28 -1.28 -0.07 -1.07 0.00 0.00 179.97 178.85 1nis h LEU 32 N -0.18 0.00 -1.92 3.04 3.38 -1.10 -3.48 115.31 115.05 1nis h LEU 32 Ca -0.26 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.18 1nis h LEU 32 Cb 1.86 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.51 1nis h LEU 32 CO 0.14 0.48 -0.90 0.59 0.09 0.00 0.00 178.44 178.84 1nis n ASN 33 N -2.88 -0.12 -3.75 -0.43 3.02 -0.30 -4.97 115.26 105.84 1nis n ASN 33 Ca -0.07 -1.07 -0.11 0.00 -0.03 0.00 0.00 54.58 53.30 1nis n ASN 33 Cb 0.79 -2.71 -0.07 0.00 -0.61 0.00 0.00 39.78 37.18 1nis n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nis s ARG 34 N -6.76 0.88 0.60 3.52 1.70 -1.26 -5.13 118.95 112.50 1nis s ARG 34 Ca 0.03 -0.64 -0.20 0.00 -0.47 0.00 0.00 55.73 54.45 1nis s ARG 34 Cb -0.02 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1nis s ARG 34 CO 0.92 -0.30 1.30 -2.14 -1.08 0.00 0.00 175.30 174.00 1nis s PRO 35 N -3.11 2.86 -0.07 3.89 0.02 -1.26 -4.96 135.00 132.36 1nis s PRO 35 Ca -0.01 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.10 1nis s PRO 35 Cb 0.01 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1nis s PRO 35 CO -0.07 -1.36 -0.10 -0.51 -0.33 0.00 0.00 177.00 174.62 1nis s LEU 36 N -3.99 2.96 1.03 -5.54 1.43 -1.26 -4.55 118.68 108.76 1nis s LEU 36 Ca 0.78 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 1nis s LEU 36 Cb -0.37 -1.63 0.21 0.00 0.03 0.00 0.00 46.19 44.42 1nis s LEU 36 CO 0.41 0.34 1.12 0.42 0.23 0.00 0.00 176.35 178.87 1nis s THR 37 N -0.68 1.90 0.22 5.49 -4.23 -1.26 -1.76 115.64 115.32 1nis s THR 37 Ca 0.10 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.52 1nis s THR 37 Cb -0.11 -2.58 0.17 0.00 1.34 0.00 0.00 72.50 71.32 1nis s THR 37 CO 0.01 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.21 1nis h LEU 38 N -1.98 0.82 -0.71 4.79 5.85 -1.90 -1.30 115.31 120.88 1nis h LEU 38 Ca -0.51 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.08 1nis h LEU 38 Cb 1.32 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1nis h LEU 38 CO 0.52 0.57 -0.27 0.77 -0.34 0.00 0.00 178.44 179.70 1nis h SER 39 N 0.97 0.72 -0.55 1.25 4.64 -1.96 -2.04 113.55 116.58 1nis h SER 39 Ca 0.30 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1nis h SER 39 Cb -0.02 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1nis h SER 39 CO -0.10 0.95 0.30 -0.33 -0.87 0.00 0.00 176.83 176.79 1nis h GLU 40 N 0.61 0.77 -0.62 4.77 5.08 -1.88 0.12 114.58 123.41 1nis h GLU 40 Ca 0.08 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1nis h GLU 40 Cb 0.77 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1nis h GLU 40 CO 0.06 0.59 0.41 0.87 -1.00 0.00 0.00 179.01 179.94 1nis h LYS 41 N 0.74 0.81 0.01 2.33 1.57 -0.73 0.76 116.57 122.06 1nis h LYS 41 Ca 0.19 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.71 1nis h LYS 41 Cb 0.04 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.19 1nis h LYS 41 CO -0.03 0.53 -0.85 0.82 -0.57 0.00 0.00 179.45 179.35 1nis h ILE 42 N 0.83 1.35 0.11 1.86 2.04 -1.21 -0.20 117.51 122.29 1nis h ILE 42 Ca 0.23 -2.19 -0.01 0.00 1.00 0.00 0.00 64.86 63.89 1nis h ILE 42 Cb -0.08 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1nis h ILE 42 CO -0.06 0.66 -0.05 0.58 0.00 0.00 0.00 178.15 179.28 1nis h VAL 43 N 0.14 1.10 0.00 1.67 2.07 -0.94 -2.93 116.25 117.36 1nis h VAL 43 Ca -0.11 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 1nis h VAL 43 Cb 1.54 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1nis h VAL 43 CO 0.17 0.23 -0.24 1.88 0.02 0.00 0.00 177.57 179.63 1nis h TYR 44 N -0.61 0.00 0.00 1.57 0.05 -0.93 -0.87 116.97 116.17 1nis h TYR 44 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1nis h TYR 44 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1nis h TYR 44 CO 0.07 0.24 0.00 0.41 -1.05 0.00 0.00 178.16 177.83 1nis n GLY 45 N -0.11 -1.09 0.94 3.88 0.00 -0.09 -1.98 105.19 106.74 1nis n GLY 45 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1nis n GLY 45 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nis n HIS 46 N -2.07 0.88 -2.09 1.61 8.25 -0.34 -4.44 115.22 117.04 1nis n HIS 46 Ca 0.01 -0.69 -0.38 0.00 -0.26 0.00 0.00 57.72 56.41 1nis n HIS 46 Cb 0.16 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1nis n HIS 46 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nis s LEU 47 N -1.97 4.02 0.18 2.41 1.43 -0.84 -0.89 118.68 123.02 1nis s LEU 47 Ca 0.37 2.51 -0.05 0.00 -1.03 0.00 0.00 54.13 55.93 1nis s LEU 47 Cb 0.26 -4.16 0.07 0.00 0.03 0.00 0.00 46.19 42.39 1nis s LEU 47 CO 0.14 -1.07 1.49 -0.78 0.23 0.00 0.00 176.35 176.36 1nis h ASP 48 N 2.06 0.69 -2.41 2.29 3.58 -1.37 -3.39 116.42 117.87 1nis h ASP 48 Ca -0.50 -0.37 -0.59 0.00 0.42 0.00 0.00 57.03 55.99 1nis h ASP 48 Cb 1.26 -0.20 -0.38 0.00 1.72 0.00 0.00 39.33 41.73 1nis h ASP 48 CO 0.60 1.10 -0.95 -0.67 -2.88 0.00 0.00 179.24 176.44 1nis n ASP 49 N -3.97 -0.22 0.29 2.28 2.03 -1.26 -4.98 116.55 110.72 1nis n ASP 49 Ca -0.03 -2.44 0.17 0.00 0.52 0.00 0.00 54.79 53.01 1nis n ASP 49 Cb 0.61 -0.57 0.85 0.00 -0.72 0.00 0.00 41.12 41.29 1nis n ASP 49 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1nis h PRO 50 N 5.60 0.00 0.02 -0.67 0.13 -1.91 -0.51 132.00 134.66 1nis h PRO 50 Ca 0.26 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.18 1nis h PRO 50 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1nis h PRO 50 CO 0.40 0.04 -0.93 0.00 -0.23 0.00 0.00 178.00 177.28 1nis h ALA 51 N 1.96 0.45 0.00 -0.56 0.00 -1.93 -3.38 119.26 115.79 1nis h ALA 51 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1nis h ALA 51 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nis h ALA 51 CO 0.01 0.94 -1.16 0.09 0.00 0.00 0.00 179.25 179.13 1nis n ASN 52 N -3.62 2.70 -4.62 0.00 3.02 -1.03 -5.02 115.26 106.69 1nis n ASN 52 Ca -0.04 -0.13 -0.54 0.00 -0.03 0.00 0.00 54.58 53.85 1nis n ASN 52 Cb 0.84 1.29 -0.06 0.00 -0.61 0.00 0.00 39.78 41.24 1nis n ASN 52 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1nis n GLN 53 N -1.66 1.11 -2.48 3.52 -0.06 -0.23 -4.94 117.38 112.65 1nis n GLN 53 Ca -0.01 0.40 -0.42 0.00 -2.00 0.00 0.00 57.00 54.97 1nis n GLN 53 Cb 0.18 -2.05 -0.03 0.00 -4.06 0.00 0.00 30.24 24.29 1nis n GLN 53 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1nis s GLU 54 N 1.22 4.35 -0.28 3.69 2.02 -1.26 -5.01 118.70 123.43 1nis s GLU 54 Ca 0.88 1.65 0.02 0.00 0.02 0.00 0.00 54.97 57.54 1nis s GLU 54 Cb -0.99 -3.57 0.07 0.00 0.10 0.00 0.00 34.13 29.73 1nis s GLU 54 CO 0.52 -0.46 -0.06 0.42 0.02 0.00 0.00 175.26 175.70 1nis s ILE 55 N 2.29 2.33 -0.10 -1.63 1.01 -1.26 -4.75 121.20 119.09 1nis s ILE 55 Ca 0.55 -1.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 1nis s ILE 55 Cb -0.24 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 39.85 1nis s ILE 55 CO 0.21 -0.14 0.19 -1.61 0.00 0.00 0.00 174.94 173.59 1nis s GLU 56 N 1.09 0.08 0.28 2.79 2.02 -1.26 -5.01 118.70 118.69 1nis s GLU 56 Ca -0.05 0.59 -0.30 0.00 0.02 0.00 0.00 54.97 55.23 1nis s GLU 56 Cb -0.20 -0.19 -0.12 0.00 0.10 0.00 0.00 34.13 33.72 1nis s GLU 56 CO -0.05 -0.28 1.58 0.54 0.02 0.00 0.00 175.26 177.08 1nis n ARG 57 N 5.15 2.62 -0.33 1.61 1.74 -1.26 -0.97 116.66 125.22 1nis n ARG 57 Ca -0.09 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1nis n ARG 57 Cb 0.50 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.23 1nis n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nis n GLY 58 N 2.32 1.94 0.16 -0.13 0.00 0.91 -4.79 105.19 105.60 1nis n GLY 58 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1nis n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nis n LYS 59 N -2.00 0.00 -3.59 1.61 5.02 -0.14 -4.90 118.16 114.16 1nis n LYS 59 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1nis n LYS 59 Cb 0.00 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 1nis n LYS 59 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1nis s THR 60 N -1.74 5.16 -0.19 -0.18 -4.23 -0.94 -4.87 115.64 108.64 1nis s THR 60 Ca 0.00 -0.33 -0.14 0.00 -1.18 0.00 0.00 61.69 60.04 1nis s THR 60 Cb 0.00 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1nis s THR 60 CO 0.00 -0.27 0.32 -0.31 -0.54 0.00 0.00 174.62 173.81 1nis s TYR 61 N -1.99 3.41 0.09 3.99 2.02 -1.26 -0.07 117.35 123.54 1nis s TYR 61 Ca 0.39 0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 57.54 1nis s TYR 61 Cb -0.11 -2.40 -0.06 0.00 -0.40 0.00 0.00 41.96 38.99 1nis s TYR 61 CO 0.30 0.12 0.43 -0.51 -1.57 0.00 0.00 175.55 174.33 1nis s LEU 62 N 0.85 4.35 -0.26 -1.29 1.43 0.82 -4.87 118.68 119.72 1nis s LEU 62 Ca 0.16 0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 54.07 1nis s LEU 62 Cb -0.14 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 1nis s LEU 62 CO 0.05 0.17 0.03 -0.13 0.23 0.00 0.00 176.35 176.70 1nis s ARG 63 N -1.87 3.31 0.20 1.70 0.52 -1.26 -1.09 118.95 120.47 1nis s ARG 63 Ca 0.33 -0.69 0.09 0.00 -0.52 0.00 0.00 55.73 54.94 1nis s ARG 63 Cb -0.14 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 1nis s ARG 63 CO 0.18 -0.29 -0.16 -0.51 0.02 0.00 0.00 175.30 174.53 1nis s LEU 64 N 1.51 2.52 -0.60 2.53 1.43 0.12 -0.99 118.68 125.19 1nis s LEU 64 Ca 0.04 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 1nis s LEU 64 Cb -0.16 -0.79 0.15 0.00 0.03 0.00 0.00 46.19 45.43 1nis s LEU 64 CO 0.00 -0.09 0.37 -0.13 0.23 0.00 0.00 176.35 176.73 1nis s ARG 65 N -3.34 2.25 0.68 1.70 1.81 -0.07 -1.20 118.95 120.78 1nis s ARG 65 Ca 0.21 -2.86 -0.17 0.00 -1.72 0.00 0.00 55.73 51.19 1nis s ARG 65 Cb -0.03 -3.43 0.00 0.00 -0.45 0.00 0.00 34.95 31.04 1nis s ARG 65 CO 0.08 -1.17 1.25 -2.30 -0.68 0.00 0.00 175.30 172.48 1nis n PRO 66 N 2.78 0.93 0.06 3.54 -0.02 -1.26 -4.93 135.00 136.10 1nis n PRO 66 Ca 0.10 0.38 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1nis n PRO 66 Cb 0.34 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.20 1nis n PRO 66 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nis h ASP 67 N 0.26 0.08 -4.94 2.55 3.32 -1.14 -3.49 116.42 113.05 1nis h ASP 67 Ca -0.50 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.47 1nis h ASP 67 Cb 1.33 -0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.74 1nis h ASP 67 CO 0.51 1.07 0.27 0.00 -1.72 0.00 0.00 179.24 179.38 1nis s ARG 68 N -2.69 1.24 -0.05 3.56 1.70 -1.24 -4.26 118.95 117.21 1nis s ARG 68 Ca -0.01 -0.49 0.06 0.00 -0.47 0.00 0.00 55.73 54.82 1nis s ARG 68 Cb 0.09 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 35.01 1nis s ARG 68 CO 0.83 -0.55 -0.23 0.08 -1.08 0.00 0.00 175.30 174.36 1nis s VAL 69 N -3.64 1.89 -0.03 4.99 1.01 -0.54 -2.19 120.40 121.90 1nis s VAL 69 Ca 0.03 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1nis s VAL 69 Cb -0.01 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1nis s VAL 69 CO -0.10 0.53 -0.14 0.00 0.00 0.00 0.00 175.10 175.38 1nis s ALA 70 N -0.12 1.25 0.03 5.51 0.00 -0.74 -1.90 121.76 125.79 1nis s ALA 70 Ca -0.03 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.39 1nis s ALA 70 Cb -0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1nis s ALA 70 CO 0.03 0.25 -0.15 -1.64 0.00 0.00 0.00 175.76 174.26 1nis s MET 71 N -0.06 1.01 0.24 0.00 -1.94 0.28 -1.91 119.30 116.91 1nis s MET 71 Ca -0.00 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.33 1nis s MET 71 Cb -0.09 -1.02 -0.04 0.00 2.01 0.00 0.00 34.83 35.70 1nis s MET 71 CO 0.01 0.26 0.21 1.14 -0.01 0.00 0.00 175.02 176.62 1nis s GLN 72 N -0.96 2.98 0.12 2.03 1.03 -1.26 -0.19 119.66 123.41 1nis s GLN 72 Ca 0.03 -0.99 0.19 0.00 0.04 0.00 0.00 55.36 54.63 1nis s GLN 72 Cb -0.07 -2.61 0.79 0.00 0.03 0.00 0.00 33.01 31.14 1nis s GLN 72 CO 0.01 0.42 1.59 -0.40 -2.54 0.00 0.00 175.29 174.36 1nis n ASP 73 N -1.07 0.30 0.13 12.60 5.75 0.26 -0.53 116.55 133.99 1nis n ASP 73 Ca -0.08 0.57 0.13 0.00 -0.01 0.00 0.00 54.79 55.40 1nis n ASP 73 Cb 0.57 -0.64 0.31 0.00 -1.03 0.00 0.00 41.12 40.33 1nis n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nis h ALA 74 N 2.41 0.94 0.00 2.12 0.00 -1.93 -3.35 119.26 119.45 1nis h ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nis h ALA 74 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nis h ALA 74 CO 0.00 0.00 -0.72 0.25 0.00 0.00 0.00 179.25 178.78 1nis n THR 75 N -2.47 0.00 0.20 0.00 -2.24 -0.92 -4.63 114.28 104.22 1nis n THR 75 Ca 0.05 -0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.68 1nis n THR 75 Cb 0.46 0.65 0.41 0.00 -2.10 0.00 0.00 70.33 69.76 1nis n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nis h ALA 76 N 0.20 1.31 -0.28 6.98 0.00 -0.94 -2.65 119.26 123.87 1nis h ALA 76 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1nis h ALA 76 Cb 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nis h ALA 76 CO 0.00 0.41 0.02 1.96 0.00 0.00 0.00 179.25 181.65 1nis h GLN 77 N 0.00 0.48 0.00 0.00 4.20 -1.82 0.51 115.11 118.48 1nis h GLN 77 Ca -0.00 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 1nis h GLN 77 Cb 0.64 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1nis h GLN 77 CO 0.04 0.61 -0.82 1.98 -0.67 0.00 0.00 178.83 179.98 1nis h MET 78 N 0.28 0.00 -0.38 1.46 4.05 -1.73 -0.10 114.93 118.51 1nis h MET 78 Ca 0.08 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.44 1nis h MET 78 Cb 0.38 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1nis h MET 78 CO 0.01 0.82 -0.02 0.00 0.23 0.00 0.00 176.91 177.95 1nis h ALA 79 N 1.18 0.52 -0.13 0.39 0.00 -1.26 -1.43 119.26 118.54 1nis h ALA 79 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1nis h ALA 79 Cb 1.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1nis h ALA 79 CO 0.11 0.31 -0.60 0.52 0.00 0.00 0.00 179.25 179.58 1nis h MET 80 N 0.51 0.45 -0.85 0.00 2.07 -0.76 -0.06 114.93 116.29 1nis h MET 80 Ca 0.11 -0.31 -0.02 0.00 -2.07 0.00 0.00 59.70 57.41 1nis h MET 80 Cb 0.50 0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 30.23 1nis h MET 80 CO 0.02 0.92 0.45 -0.07 1.07 0.00 0.00 176.91 179.31 1nis h LEU 81 N 0.33 1.07 -0.58 1.22 3.38 -0.92 0.45 115.31 120.26 1nis h LEU 81 Ca -0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1nis h LEU 81 Cb 1.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1nis h LEU 81 CO 0.11 0.87 -0.50 1.56 0.09 0.00 0.00 178.44 180.56 1nis h GLN 82 N 1.19 0.55 -0.66 1.13 4.20 -1.06 -1.85 115.11 118.62 1nis h GLN 82 Ca 0.30 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1nis h GLN 82 Cb 0.04 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1nis h GLN 82 CO -0.05 0.92 0.17 0.35 -0.67 0.00 0.00 178.83 179.55 1nis h PHE 83 N 0.43 1.09 -0.68 2.96 3.57 -0.59 -2.25 116.94 121.47 1nis h PHE 83 Ca 0.02 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.40 1nis h PHE 83 Cb 1.03 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1nis h PHE 83 CO 0.04 0.90 0.45 0.82 -2.23 0.00 0.00 178.31 178.29 1nis h ILE 84 N 0.97 1.17 0.00 1.41 2.04 -0.89 -1.46 117.51 120.75 1nis h ILE 84 Ca 0.21 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1nis h ILE 84 Cb 0.35 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1nis h ILE 84 CO 0.00 0.17 -0.10 0.28 0.00 0.00 0.00 178.15 178.49 1nis h SER 85 N 0.92 0.00 0.45 1.72 0.02 -0.88 -2.75 113.55 113.03 1nis h SER 85 Ca 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1nis h SER 85 Cb -0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1nis h SER 85 CO -0.06 0.10 -0.26 0.77 -1.14 0.00 0.00 176.83 176.24 1nis h SER 86 N 0.00 0.00 0.00 3.07 4.64 -0.70 -3.46 113.55 117.10 1nis h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nis h SER 86 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1nis h SER 86 CO 0.01 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 1nis n GLY 87 N -0.45 0.73 3.79 -0.77 0.00 -1.04 -4.93 105.19 102.52 1nis n GLY 87 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1nis n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nis s LEU 88 N 0.00 4.39 0.36 0.99 1.43 -1.26 -4.98 118.68 119.60 1nis s LEU 88 Ca 0.00 1.73 0.21 0.00 -1.03 0.00 0.00 54.13 55.04 1nis s LEU 88 Cb 0.00 -3.83 0.21 0.00 0.03 0.00 0.00 46.19 42.61 1nis s LEU 88 CO 0.00 -0.00 1.45 1.55 0.23 0.00 0.00 176.35 179.57 1nis h PRO 89 N 3.40 0.00 -1.95 1.29 0.13 -1.96 -3.47 132.00 129.44 1nis h PRO 89 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1nis h PRO 89 Cb 1.19 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1nis h PRO 89 CO 0.65 0.10 0.23 0.21 -0.23 0.00 0.00 178.00 178.96 1nis s LYS 90 N -3.18 0.98 0.40 0.86 2.47 -1.26 -4.59 119.74 115.41 1nis s LYS 90 Ca 0.05 0.34 -0.25 0.00 -1.56 0.00 0.00 55.97 54.55 1nis s LYS 90 Cb 0.06 0.46 -0.09 0.00 -1.46 0.00 0.00 37.83 36.81 1nis s LYS 90 CO 0.71 -0.28 1.12 0.14 0.16 0.00 0.00 175.35 177.19 1nis s VAL 91 N -0.98 3.39 -0.54 4.02 -7.23 -0.29 -4.87 120.40 113.89 1nis s VAL 91 Ca -0.09 1.12 0.24 0.00 -1.81 0.00 0.00 61.98 61.44 1nis s VAL 91 Cb -0.01 -3.60 0.13 0.00 0.56 0.00 0.00 36.38 33.46 1nis s VAL 91 CO 0.08 0.06 1.40 0.00 -0.31 0.00 0.00 175.10 176.33 1nis h ALA 92 N 2.56 0.72 -2.39 1.32 0.00 -0.93 -3.47 119.26 117.07 1nis h ALA 92 Ca -0.48 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 1nis h ALA 92 Cb 1.23 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.86 1nis h ALA 92 CO 0.62 0.00 -0.72 0.14 0.00 0.00 0.00 179.25 179.29 1nis s VAL 93 N -3.20 1.11 -0.21 0.00 -7.23 -1.26 -4.97 120.40 104.64 1nis s VAL 93 Ca 0.06 -1.94 -0.41 0.00 -1.81 0.00 0.00 61.98 57.88 1nis s VAL 93 Cb 0.11 -1.71 -0.17 0.00 0.56 0.00 0.00 36.38 35.17 1nis s VAL 93 CO 0.70 -0.69 1.55 -2.65 -0.31 0.00 0.00 175.10 173.70 1nis n PRO 94 N 0.03 0.80 -3.95 4.82 -0.02 -1.26 -4.82 135.00 130.60 1nis n PRO 94 Ca -0.12 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 1nis n PRO 94 Cb 0.60 -1.91 -0.12 0.00 -0.02 0.00 0.00 33.50 32.05 1nis n PRO 94 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1nis s SER 95 N 2.34 0.17 0.04 2.55 0.01 -1.26 -1.46 113.70 116.09 1nis s SER 95 Ca 0.96 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.89 1nis s SER 95 Cb -1.15 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.12 1nis s SER 95 CO 0.64 -0.20 -0.05 0.42 0.41 0.00 0.00 173.24 174.46 1nis s THR 96 N -0.96 0.33 -0.05 1.44 -4.23 -0.80 -1.48 115.64 109.90 1nis s THR 96 Ca -0.10 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1nis s THR 96 Cb -0.07 -0.62 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 1nis s THR 96 CO -0.01 -0.53 -0.16 -0.63 -0.54 0.00 0.00 174.62 172.76 1nis s ILE 97 N -1.83 2.92 -0.13 2.99 1.01 0.56 -0.56 121.20 126.16 1nis s ILE 97 Ca -0.09 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1nis s ILE 97 Cb -0.07 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1nis s ILE 97 CO -0.02 0.59 -0.17 -1.00 0.00 0.00 0.00 174.94 174.34 1nis s HIS 98 N -0.63 2.28 -0.80 3.97 3.76 0.74 -0.66 115.29 123.94 1nis s HIS 98 Ca 0.09 -1.18 -0.15 0.00 -0.15 0.00 0.00 55.06 53.68 1nis s HIS 98 Cb -0.11 -1.61 0.19 0.00 1.11 0.00 0.00 32.58 32.16 1nis s HIS 98 CO 0.01 -0.59 0.79 0.00 -0.85 0.00 0.00 174.74 174.10 1nis n ASP 100 N 4.63 0.44 -0.09 0.00 5.75 -1.26 -4.11 116.55 121.91 1nis n ASP 100 Ca 0.11 -0.12 0.11 0.00 -0.01 0.00 0.00 54.79 54.88 1nis n ASP 100 Cb 0.46 0.34 0.10 0.00 -1.03 0.00 0.00 41.12 40.99 1nis n ASP 100 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1nis n HIS 101 N -0.38 0.00 -0.73 2.11 8.25 -1.26 -1.38 115.22 121.83 1nis n HIS 101 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1nis n HIS 101 Cb 0.00 -0.11 0.17 0.00 1.12 0.00 0.00 29.99 31.17 1nis n HIS 101 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nis n LEU 102 N -1.22 3.03 -4.34 2.41 4.77 -1.26 -4.81 117.00 115.58 1nis n LEU 102 Ca 0.06 -2.71 -0.42 0.00 -0.03 0.00 0.00 56.01 52.91 1nis n LEU 102 Cb 0.35 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1nis n LEU 102 CO 0.36 0.67 -0.06 -0.63 -1.33 0.00 0.00 177.39 176.40 1nis s ILE 103 N -2.25 4.73 0.10 -0.08 1.01 -1.26 -4.88 121.20 118.56 1nis s ILE 103 Ca 0.30 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1nis s ILE 103 Cb 0.24 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1nis s ILE 103 CO 0.07 -0.47 1.06 -0.70 0.00 0.00 0.00 174.94 174.90 1nis s GLU 104 N 1.55 4.58 -0.18 2.79 2.12 -1.26 -4.02 118.70 124.27 1nis s GLU 104 Ca 0.03 1.59 -0.29 0.00 0.36 0.00 0.00 54.97 56.66 1nis s GLU 104 Cb -0.23 -3.36 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 1nis s GLU 104 CO 0.05 0.02 1.06 0.00 -0.54 0.00 0.00 175.26 175.84 1nis s ALA 105 N 0.36 3.59 0.34 6.30 0.00 0.06 -4.79 121.76 127.62 1nis s ALA 105 Ca 0.51 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1nis s ALA 105 Cb -0.26 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1nis s ALA 105 CO 0.31 -0.91 0.00 0.94 0.00 0.00 0.00 175.76 176.10 1nis n GLN 106 N 5.90 0.00 -0.00 0.00 7.27 -1.26 -0.79 117.38 128.50 1nis n GLN 106 Ca 0.11 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.26 1nis n GLN 106 Cb 0.47 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.02 1nis n GLN 106 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1nis n LEU 107 N -3.45 0.69 0.00 1.69 4.32 -1.26 -4.98 117.00 114.00 1nis n LEU 107 Ca 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 1nis n LEU 107 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1nis n LEU 107 CO 0.00 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 1nis n GLY 108 N 1.40 1.51 0.00 -0.72 0.00 -1.26 -4.85 105.19 101.27 1nis n GLY 108 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1nis n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nis n GLY 109 N 1.42 0.00 0.36 -0.02 0.00 0.04 -1.84 105.19 105.14 1nis n GLY 109 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1nis n GLY 109 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nis h GLU 110 N 0.00 1.24 -0.02 1.61 4.11 -1.93 -1.10 114.58 118.49 1nis h GLU 110 Ca 0.00 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 1nis h GLU 110 Cb 0.00 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 1nis h GLU 110 CO 0.00 0.88 0.00 0.87 0.07 0.00 0.00 179.01 180.84 1nis h LYS 111 N 1.26 0.04 -0.49 1.06 1.57 -1.86 -1.60 116.57 116.55 1nis h LYS 111 Ca 0.32 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 1nis h LYS 111 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1nis h LYS 111 CO -0.06 0.29 0.16 -0.44 -0.57 0.00 0.00 179.45 178.84 1nis h ASP 112 N -0.22 0.66 -0.23 0.86 3.32 -1.07 -2.28 116.42 117.45 1nis h ASP 112 Ca 0.01 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1nis h ASP 112 Cb 0.27 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1nis h ASP 112 CO 0.00 0.62 -0.03 0.25 -1.72 0.00 0.00 179.24 178.37 1nis h LEU 113 N 0.71 0.42 -0.67 1.55 5.85 -1.09 -0.84 115.31 121.23 1nis h LEU 113 Ca 0.17 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1nis h LEU 113 Cb 0.20 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1nis h LEU 113 CO -0.01 0.66 0.37 0.03 -0.34 0.00 0.00 178.44 179.15 1nis h ARG 114 N 0.17 0.67 -0.40 1.25 3.08 -1.20 -1.30 114.38 116.65 1nis h ARG 114 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1nis h ARG 114 Cb 0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1nis h ARG 114 CO 0.02 0.44 0.21 -0.09 -1.07 0.00 0.00 179.97 179.48 1nis h ARG 115 N 0.69 0.57 -0.81 0.04 2.43 -1.32 -2.74 114.38 113.24 1nis h ARG 115 Ca 0.30 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1nis h ARG 115 Cb 0.18 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1nis h ARG 115 CO -0.18 0.49 0.53 0.00 -1.51 0.00 0.00 179.97 179.29 1nis h ALA 116 N 1.06 1.03 0.00 2.80 0.00 -0.83 -0.08 119.26 123.23 1nis h ALA 116 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1nis h ALA 116 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1nis h ALA 116 CO -0.02 0.45 -0.23 0.87 0.00 0.00 0.00 179.25 180.32 1nis h LYS 117 N 1.10 0.00 0.00 0.00 1.57 -1.11 0.14 116.57 118.27 1nis h LYS 117 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1nis h LYS 117 Cb -0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1nis h LYS 117 CO -0.06 0.23 -0.09 0.22 -0.57 0.00 0.00 179.45 179.18 1nis h ASP 118 N 0.00 0.00 -1.01 0.86 3.58 -1.11 -3.07 116.42 115.68 1nis h ASP 118 Ca -0.00 -0.14 0.24 0.00 0.42 0.00 0.00 57.03 57.54 1nis h ASP 118 Cb 0.47 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.41 1nis h ASP 118 CO 0.03 0.62 0.62 0.40 -2.88 0.00 0.00 179.24 178.03 1nis h ILE 119 N -1.00 0.58 -0.39 2.25 2.04 -0.97 -2.61 117.51 117.41 1nis h ILE 119 Ca -0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1nis h ILE 119 Cb 0.22 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1nis h ILE 119 CO -0.01 0.10 0.00 0.59 0.00 0.00 0.00 178.15 178.84 1nis n ASN 120 N -4.76 3.65 -0.33 1.72 3.02 0.48 -4.67 115.26 114.37 1nis n ASN 120 Ca 0.25 -2.42 0.18 0.00 -0.03 0.00 0.00 54.58 52.56 1nis n ASN 120 Cb 0.74 -0.41 0.38 0.00 -0.61 0.00 0.00 39.78 39.88 1nis n ASN 120 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1nis h GLN 121 N 2.44 0.44 -0.56 3.52 4.15 -1.36 -0.02 115.11 123.73 1nis h GLN 121 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1nis h GLN 121 Cb 1.12 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 1nis h GLN 121 CO 0.12 0.29 0.30 1.49 -1.93 0.00 0.00 178.83 179.10 1nis h GLU 122 N 0.45 0.79 -0.11 1.69 4.81 -1.86 -0.99 114.58 119.36 1nis h GLU 122 Ca 0.64 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 59.62 1nis h GLU 122 Cb 1.30 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.53 1nis h GLU 122 CO -0.53 0.61 -0.56 0.28 -0.73 0.00 0.00 179.01 178.08 1nis h VAL 123 N 0.75 1.35 -0.37 0.32 2.07 -1.40 -1.69 116.25 117.29 1nis h VAL 123 Ca 0.20 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.81 1nis h VAL 123 Cb 0.06 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1nis h VAL 123 CO -0.03 0.56 0.01 1.88 0.02 0.00 0.00 177.57 180.01 1nis h TYR 124 N 0.20 0.59 -0.20 1.57 0.05 -1.19 -0.71 116.97 117.28 1nis h TYR 124 Ca -0.04 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 1nis h TYR 124 Cb 1.20 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 1nis h TYR 124 CO 0.11 0.57 0.12 -0.97 -1.05 0.00 0.00 178.16 176.93 1nis h ASN 125 N 0.55 0.25 -0.01 3.88 -1.24 -1.12 -0.89 115.58 116.99 1nis h ASN 125 Ca 0.12 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1nis h ASN 125 Cb 0.33 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.32 1nis h ASN 125 CO 0.01 0.24 0.01 0.15 -1.29 0.00 0.00 177.43 176.55 1nis h PHE 126 N 0.23 0.01 -0.53 0.67 3.57 -0.69 -0.94 116.94 119.26 1nis h PHE 126 Ca 0.07 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1nis h PHE 126 Cb 0.04 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1nis h PHE 126 CO -0.04 0.01 0.03 -0.07 -2.23 0.00 0.00 178.31 176.01 1nis h LEU 127 N 0.01 0.89 -0.88 0.59 3.38 -0.97 0.62 115.31 118.94 1nis h LEU 127 Ca 0.00 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1nis h LEU 127 Cb 0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1nis h LEU 127 CO -0.00 0.96 0.36 0.00 0.09 0.00 0.00 178.44 179.85 1nis h ALA 128 N 0.96 1.12 -0.17 1.53 0.00 -1.10 0.13 119.26 121.73 1nis h ALA 128 Ca 0.15 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1nis h ALA 128 Cb 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1nis h ALA 128 CO 0.02 0.65 -0.48 1.15 0.00 0.00 0.00 179.25 180.59 1nis h THR 129 N 1.16 1.33 -0.13 0.00 2.02 -0.91 -0.58 112.91 115.80 1nis h THR 129 Ca 0.27 -1.73 -0.11 0.00 0.77 0.00 0.00 66.41 65.62 1nis h THR 129 Cb 0.15 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1nis h THR 129 CO -0.03 0.53 -0.42 0.00 0.37 0.00 0.00 175.52 175.98 1nis h ALA 130 N 0.56 1.06 -0.18 6.16 0.00 -0.75 -2.00 119.26 124.12 1nis h ALA 130 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1nis h ALA 130 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1nis h ALA 130 CO 0.10 0.60 0.09 0.78 0.00 0.00 0.00 179.25 180.83 1nis h GLY 131 N 1.21 0.27 1.30 0.00 0.00 -0.58 -0.71 103.07 104.56 1nis h GLY 131 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1nis h GLY 131 CO 0.07 0.13 0.16 0.00 0.00 0.00 0.00 176.54 176.89 1nis h ALA 132 N 0.96 1.19 -0.08 3.60 0.00 -0.94 0.14 119.26 124.13 1nis h ALA 132 Ca 0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1nis h ALA 132 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nis h ALA 132 CO -0.01 0.56 -0.32 -0.22 0.00 0.00 0.00 179.25 179.26 1nis h LYS 133 N 0.85 0.36 -0.13 0.00 3.64 -1.11 -3.32 116.57 116.86 1nis h LYS 133 Ca 0.19 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1nis h LYS 133 Cb 0.28 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1nis h LYS 133 CO -0.00 0.91 0.00 0.66 -2.27 0.00 0.00 179.45 178.75 1nis n TYR 134 N -4.42 0.15 -2.07 1.91 4.01 -0.29 -4.85 117.16 111.61 1nis n TYR 134 Ca -0.08 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1nis n TYR 134 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1nis n TYR 134 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nis n GLY 135 N 1.31 0.91 3.49 2.72 0.00 -0.55 -1.14 105.19 111.93 1nis n GLY 135 Ca 0.17 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1nis n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nis s VAL 136 N -2.83 3.93 0.47 1.61 1.01 0.37 -4.72 120.40 120.23 1nis s VAL 136 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1nis s VAL 136 Cb 0.00 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 1nis s VAL 136 CO 0.00 0.48 1.13 -0.83 0.00 0.00 0.00 175.10 175.88 1nis s GLY 137 N 0.46 2.73 -0.11 4.51 0.00 -0.55 -4.31 107.32 110.05 1nis s GLY 137 Ca -0.03 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1nis s GLY 137 CO 0.03 1.28 -0.12 -0.12 0.00 0.00 0.00 173.10 174.16 1nis s PHE 138 N -1.63 1.81 -0.28 1.90 5.36 -0.86 -0.33 117.98 123.95 1nis s PHE 138 Ca 0.64 -0.89 -0.09 0.00 -0.96 0.00 0.00 56.93 55.63 1nis s PHE 138 Cb -0.26 -1.36 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1nis s PHE 138 CO 0.31 -0.51 0.13 -1.58 -1.46 0.00 0.00 175.22 172.11 1nis s TRP 139 N 1.27 3.15 0.84 10.12 0.52 0.16 -0.48 118.94 134.52 1nis s TRP 139 Ca -0.02 -0.34 -0.10 0.00 0.02 0.00 0.00 56.10 55.66 1nis s TRP 139 Cb -0.14 -2.31 0.10 0.00 -1.15 0.00 0.00 33.47 29.97 1nis s TRP 139 CO -0.05 -0.34 1.12 1.03 0.02 0.00 0.00 176.95 178.73 1nis s ARG 140 N 1.65 1.62 0.22 4.98 0.52 -0.25 -2.63 118.95 125.07 1nis s ARG 140 Ca 0.06 1.39 -0.32 0.00 -0.52 0.00 0.00 55.73 56.34 1nis s ARG 140 Cb -0.16 -1.81 -0.14 0.00 0.52 0.00 0.00 34.95 33.36 1nis s ARG 140 CO 0.06 -2.15 1.35 -0.35 0.02 0.00 0.00 175.30 174.23 1nis n PRO 141 N -3.84 1.84 0.00 3.54 -0.04 -1.26 -1.81 135.00 133.43 1nis n PRO 141 Ca 0.11 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1nis n PRO 141 Cb 0.52 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1nis n PRO 141 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nis n GLY 142 N 2.14 2.94 0.36 0.55 0.00 -1.26 -4.94 105.19 104.99 1nis n GLY 142 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1nis n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nis h SER 143 N 0.14 0.91 -3.79 1.61 4.64 -1.62 -3.39 113.55 112.04 1nis h SER 143 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nis h SER 143 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1nis h SER 143 CO 0.00 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 1nis n GLY 144 N -1.35 2.56 3.75 -0.77 0.00 -1.23 -1.49 105.19 106.65 1nis n GLY 144 Ca 0.19 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 1nis n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nis s ILE 145 N -1.75 4.29 0.26 -0.61 1.01 0.14 -4.54 121.20 120.02 1nis s ILE 145 Ca 0.00 1.94 -0.07 0.00 0.00 0.00 0.00 60.65 62.51 1nis s ILE 145 Cb 0.00 -4.26 0.38 0.00 0.01 0.00 0.00 42.46 38.59 1nis s ILE 145 CO 0.00 0.46 1.59 -0.29 0.00 0.00 0.00 174.94 176.70 1nis h ILE 146 N 3.46 0.13 0.00 2.92 2.10 -1.91 -1.61 117.51 122.61 1nis h ILE 146 Ca -0.45 -0.01 -0.09 0.00 1.08 0.00 0.00 64.86 65.39 1nis h ILE 146 Cb 1.20 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.03 1nis h ILE 146 CO 0.68 0.00 -0.45 0.45 -1.08 0.00 0.00 178.15 177.76 1nis h HIS 147 N 0.02 0.00 0.04 2.19 3.86 -1.93 -1.53 115.15 117.80 1nis h HIS 147 Ca 0.45 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.42 1nis h HIS 147 Cb 0.76 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.25 1nis h HIS 147 CO -0.62 0.45 -0.97 0.37 0.86 0.00 0.00 177.93 178.03 1nis h GLN 148 N 0.00 0.58 -0.82 2.45 5.75 -1.58 -0.80 115.11 120.70 1nis h GLN 148 Ca -0.00 -0.68 -0.02 0.00 -0.15 0.00 0.00 58.65 57.79 1nis h GLN 148 Cb 1.17 0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.89 1nis h GLN 148 CO 0.06 1.28 0.42 0.82 -2.65 0.00 0.00 178.83 178.76 1nis h ILE 149 N 0.19 1.25 -0.12 2.39 1.08 -1.24 -1.61 117.51 119.45 1nis h ILE 149 Ca -0.13 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.65 1nis h ILE 149 Cb 1.65 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1nis h ILE 149 CO 0.19 0.29 -0.01 0.40 -0.69 0.00 0.00 178.15 178.33 1nis h ILE 150 N 1.15 1.26 -0.90 -0.67 2.04 -1.19 -1.45 117.51 117.76 1nis h ILE 150 Ca 0.29 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1nis h ILE 150 Cb 0.08 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1nis h ILE 150 CO -0.04 0.25 0.59 0.25 0.00 0.00 0.00 178.15 179.20 1nis h LEU 151 N -0.06 1.01 -0.50 1.44 5.85 -0.97 0.22 115.31 122.29 1nis h LEU 151 Ca 0.03 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1nis h LEU 151 Cb 0.38 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1nis h LEU 151 CO 0.01 0.72 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.39 1nis h GLU 152 N 1.19 0.00 0.00 1.25 5.08 -1.19 -3.40 114.58 117.50 1nis h GLU 152 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1nis h GLU 152 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nis h GLU 152 CO -0.08 0.11 -0.37 0.09 -1.00 0.00 0.00 179.01 177.75 1nis n ASN 153 N -3.16 1.86 0.00 1.42 3.02 -0.56 -4.93 115.26 112.91 1nis n ASN 153 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1nis n ASN 153 Cb 0.49 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1nis n ASN 153 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1nis n TYR 154 N -0.83 0.00 -2.72 3.10 4.01 0.68 -4.60 117.16 116.80 1nis n TYR 154 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 1nis n TYR 154 Cb 0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 1nis n TYR 154 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nis s ALA 155 N -1.66 3.34 0.15 -0.72 0.00 -0.63 -4.97 121.76 117.26 1nis s ALA 155 Ca 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 1nis s ALA 155 Cb 0.00 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1nis s ALA 155 CO 0.00 0.14 0.35 1.52 0.00 0.00 0.00 175.76 177.77 1nis s TYR 156 N -1.03 0.09 0.08 0.00 -0.85 -1.26 -4.95 117.35 109.43 1nis s TYR 156 Ca 0.42 -0.45 -0.34 0.00 -0.52 0.00 0.00 57.07 56.18 1nis s TYR 156 Cb -0.26 0.13 -0.13 0.00 0.38 0.00 0.00 41.96 42.07 1nis s TYR 156 CO 0.33 -0.73 1.65 -2.30 -1.52 0.00 0.00 175.55 172.98 1nis n PRO 157 N -0.22 2.07 -0.48 -3.49 -0.02 -0.76 -2.54 135.00 129.56 1nis n PRO 157 Ca -0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1nis n PRO 157 Cb 0.63 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1nis n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nis n GLY 158 N 3.65 0.95 3.78 -1.23 0.00 -0.09 -4.88 105.19 107.37 1nis n GLY 158 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1nis n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nis s VAL 159 N -3.06 3.41 -0.28 1.61 0.11 -1.05 -4.83 120.40 116.30 1nis s VAL 159 Ca 0.00 0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 59.89 1nis s VAL 159 Cb 0.00 -3.34 0.04 0.00 -1.53 0.00 0.00 36.38 31.55 1nis s VAL 159 CO 0.00 -0.21 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.30 1nis s LEU 160 N -3.80 3.56 -0.04 2.54 2.96 -1.26 -1.06 118.68 121.59 1nis s LEU 160 Ca 0.70 -1.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1nis s LEU 160 Cb -0.21 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1nis s LEU 160 CO 0.26 -0.20 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.64 1nis s LEU 161 N 1.27 2.03 0.05 -0.68 0.20 0.24 -0.43 118.68 121.38 1nis s LEU 161 Ca -0.03 -0.45 0.08 0.00 0.69 0.00 0.00 54.13 54.42 1nis s LEU 161 Cb -0.18 -1.24 -0.03 0.00 -0.43 0.00 0.00 46.19 44.31 1nis s LEU 161 CO -0.03 0.25 -0.20 0.27 -0.29 0.00 0.00 176.35 176.36 1nis s ILE 162 N -0.32 2.68 0.01 6.68 -4.36 -0.93 -1.16 121.20 123.80 1nis s ILE 162 Ca 0.03 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 1nis s ILE 162 Cb -0.11 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.46 1nis s ILE 162 CO 0.01 0.31 -0.03 -0.83 0.24 0.00 0.00 174.94 174.64 1nis s GLY 163 N -1.50 0.18 -1.45 6.27 0.00 -0.66 -1.79 107.32 108.37 1nis s GLY 163 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 1nis s GLY 163 CO 0.05 -0.30 2.36 -1.30 0.00 0.00 0.00 173.10 173.91 1nis n THR 164 N 2.50 4.03 -3.64 0.90 -2.24 -0.80 -1.58 114.28 113.44 1nis n THR 164 Ca -0.16 -3.31 -0.06 0.00 -2.27 0.00 0.00 64.05 58.25 1nis n THR 164 Cb 0.58 -2.51 -0.07 0.00 -2.10 0.00 0.00 70.33 66.23 1nis n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nis s ASP 165 N 2.19 -0.48 0.13 3.42 2.15 -1.25 -4.55 116.67 118.28 1nis s ASP 165 Ca 0.52 0.84 0.23 0.00 0.43 0.00 0.00 52.55 54.56 1nis s ASP 165 Cb 0.15 1.02 0.89 0.00 -0.30 0.00 0.00 42.92 44.67 1nis s ASP 165 CO -0.06 -0.14 1.69 -1.54 -0.17 0.00 0.00 175.17 174.95 1nis n SER 166 N 2.93 0.39 -1.41 -0.34 3.41 -1.26 -2.75 113.62 114.59 1nis n SER 166 Ca -0.15 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.09 1nis n SER 166 Cb 0.57 -0.66 0.29 0.00 -0.26 0.00 0.00 64.21 64.14 1nis n SER 166 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nis n HIS 167 N -1.90 1.35 -0.17 7.33 8.25 -1.26 -4.52 115.22 124.30 1nis n HIS 167 Ca 0.04 -0.50 0.27 0.00 -0.26 0.00 0.00 57.72 57.27 1nis n HIS 167 Cb 0.27 -0.31 0.70 0.00 1.12 0.00 0.00 29.99 31.77 1nis n HIS 167 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1nis h THR 168 N 3.03 0.59 0.00 1.59 2.02 -1.84 -2.64 112.91 115.66 1nis h THR 168 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1nis h THR 168 Cb 1.39 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1nis h THR 168 CO 0.28 0.01 0.36 -2.65 0.37 0.00 0.00 175.52 173.89 1nis n PRO 169 N -4.31 0.08 -0.34 6.66 -0.02 -1.14 -2.08 135.00 133.85 1nis n PRO 169 Ca 0.18 0.54 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 1nis n PRO 169 Cb 0.89 -2.11 0.42 0.00 -0.02 0.00 0.00 33.50 32.69 1nis n PRO 169 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1nis h ASN 170 N 0.00 0.62 0.38 2.55 -1.24 -1.65 0.87 115.58 117.10 1nis h ASN 170 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1nis h ASN 170 Cb 0.73 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1nis h ASN 170 CO 0.00 0.14 0.00 0.61 -1.29 0.00 0.00 177.43 176.89 1nis n GLY 171 N -1.38 -0.96 0.32 1.57 0.00 -0.88 -2.06 105.19 101.80 1nis n GLY 171 Ca 0.25 0.05 0.20 0.00 0.00 0.00 0.00 46.02 46.52 1nis n GLY 171 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nis h GLY 172 N 1.46 0.00 2.00 -0.02 0.00 -0.93 -1.94 103.07 103.63 1nis h GLY 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nis h GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1nis n GLY 173 N -1.04 -0.90 0.83 4.60 0.00 -0.87 -1.87 105.19 105.94 1nis n GLY 173 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1nis n GLY 173 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nis n LEU 174 N -1.50 3.10 -0.35 0.99 7.94 -0.73 -4.53 117.00 121.92 1nis n LEU 174 Ca 0.03 -4.03 -0.05 0.00 -1.11 0.00 0.00 56.01 50.85 1nis n LEU 174 Cb 0.14 -0.51 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 1nis n LEU 174 CO 0.11 1.51 -0.04 0.61 -1.11 0.00 0.00 177.39 178.46 1nis n GLY 175 N -1.06 0.73 3.78 -3.96 0.00 -0.78 -1.82 105.19 102.07 1nis n GLY 175 Ca 0.23 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1nis n GLY 175 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nis s GLY 176 N -2.79 1.74 -0.36 -0.02 0.00 -1.24 -0.91 107.32 103.74 1nis s GLY 176 Ca 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 44.72 42.95 1nis s GLY 176 CO 0.00 -1.63 0.20 -0.42 0.00 0.00 0.00 173.10 171.25 1nis s ILE 177 N -2.31 4.65 -0.18 0.90 -1.09 -0.22 -3.89 121.20 119.04 1nis s ILE 177 Ca 0.37 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 1nis s ILE 177 Cb -0.05 -3.54 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1nis s ILE 177 CO 0.24 -0.17 -0.13 0.00 -1.23 0.00 0.00 174.94 173.65 1nis s ILE 179 N 1.39 1.52 0.15 0.00 1.01 -0.31 -2.86 121.20 122.10 1nis s ILE 179 Ca 0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 1nis s ILE 179 Cb -0.15 -1.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.94 1nis s ILE 179 CO -0.09 0.44 1.14 -0.83 0.00 0.00 0.00 174.94 175.60 1nis s GLY 180 N 0.10 2.71 0.17 6.18 0.00 -1.26 -1.66 107.32 113.57 1nis s GLY 180 Ca -0.06 0.85 -0.02 0.00 0.00 0.00 0.00 44.72 45.49 1nis s GLY 180 CO 0.03 1.79 0.13 -1.34 0.00 0.00 0.00 173.10 173.71 1nis s VAL 181 N 0.13 0.04 0.70 1.40 -7.23 -0.62 -4.91 120.40 109.92 1nis s VAL 181 Ca 0.52 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1nis s VAL 181 Cb -0.30 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.37 1nis s VAL 181 CO 0.34 -0.19 1.09 -0.83 -0.31 0.00 0.00 175.10 175.20 1nis s GLY 182 N -3.10 1.63 0.40 2.32 0.00 -1.26 -3.80 107.32 103.50 1nis s GLY 182 Ca 0.32 -0.35 0.08 0.00 0.00 0.00 0.00 44.72 44.77 1nis s GLY 182 CO 0.07 0.02 2.02 -1.33 0.00 0.00 0.00 173.10 173.88 1nis h GLY 183 N -0.64 0.68 2.00 0.20 0.00 -1.87 -2.15 103.07 101.28 1nis h GLY 183 Ca -0.45 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 1nis h GLY 183 CO 0.64 0.20 -0.23 0.00 0.00 0.00 0.00 176.54 177.14 1nis h ALA 184 N 1.69 1.18 -0.16 3.60 0.00 -1.93 -1.88 119.26 121.76 1nis h ALA 184 Ca 0.22 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1nis h ALA 184 Cb 0.14 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nis h ALA 184 CO -0.06 0.29 -0.74 -0.44 0.00 0.00 0.00 179.25 178.30 1nis h ASP 185 N 0.00 0.87 -0.39 0.00 5.19 -1.77 -2.74 116.42 117.58 1nis h ASP 185 Ca -0.00 -0.55 -0.04 0.00 -0.62 0.00 0.00 57.03 55.81 1nis h ASP 185 Cb 0.59 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1nis h ASP 185 CO 0.03 1.34 0.12 0.00 -3.12 0.00 0.00 179.24 177.62 1nis h ALA 186 N 0.64 1.36 -0.43 3.45 0.00 -1.32 -2.59 119.26 120.37 1nis h ALA 186 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1nis h ALA 186 Cb 1.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1nis h ALA 186 CO 0.15 0.46 0.20 0.28 0.00 0.00 0.00 179.25 180.34 1nis h VAL 187 N 0.67 1.19 -0.60 0.00 2.07 -1.21 -0.14 116.25 118.23 1nis h VAL 187 Ca 0.15 -0.55 0.12 0.00 0.82 0.00 0.00 66.70 67.25 1nis h VAL 187 Cb 0.23 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 1nis h VAL 187 CO -0.01 0.21 -0.05 0.44 0.02 0.00 0.00 177.57 178.18 1nis h ASP 188 N 0.56 -0.37 -0.02 0.57 3.32 -1.16 0.12 116.42 119.43 1nis h ASP 188 Ca 0.15 0.16 -0.23 0.00 0.02 0.00 0.00 57.03 57.13 1nis h ASP 188 Cb 0.14 0.30 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1nis h ASP 188 CO -0.02 -0.14 -0.85 0.58 -1.72 0.00 0.00 179.24 177.09 1nis h VAL 189 N 0.07 1.30 0.00 -1.35 2.07 -1.32 -1.06 116.25 115.95 1nis h VAL 189 Ca 0.30 -2.10 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1nis h VAL 189 Cb 0.48 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1nis h VAL 189 CO -0.55 0.65 -0.13 0.24 0.02 0.00 0.00 177.57 177.81 1nis h MET 190 N 0.45 0.00 -0.00 1.57 2.86 -0.75 -1.90 114.93 117.15 1nis h MET 190 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1nis h MET 190 Cb 1.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 1nis h MET 190 CO 0.17 0.13 -0.24 0.00 1.06 0.00 0.00 176.91 178.02 1nis n ALA 191 N -2.33 2.93 -0.53 6.32 0.00 0.38 -0.37 120.51 126.91 1nis n ALA 191 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1nis n ALA 191 Cb 0.23 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1nis n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nis n GLY 192 N 1.50 0.71 3.76 0.00 0.00 -0.72 -4.88 105.19 105.55 1nis n GLY 192 Ca 0.06 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1nis n GLY 192 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nis s ILE 193 N -2.00 4.48 0.23 -0.61 -4.36 -0.48 -5.02 121.20 113.44 1nis s ILE 193 Ca 0.00 -0.68 -0.31 0.00 -0.26 0.00 0.00 60.65 59.40 1nis s ILE 193 Cb 0.00 -3.11 -0.14 0.00 1.25 0.00 0.00 42.46 40.46 1nis s ILE 193 CO 0.00 0.21 1.19 -2.65 0.24 0.00 0.00 174.94 173.93 1nis n PRO 194 N 0.77 1.50 -3.49 0.37 -0.02 -1.26 -4.15 135.00 128.73 1nis n PRO 194 Ca -0.11 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 1nis n PRO 194 Cb 0.52 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 1nis n PRO 194 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1nis s TRP 195 N -0.45 3.70 -0.13 6.00 -0.00 -0.34 -4.81 118.94 122.91 1nis s TRP 195 Ca 0.67 0.97 -0.05 0.00 -0.00 0.00 0.00 56.10 57.68 1nis s TRP 195 Cb -0.74 -2.31 -0.04 0.00 -0.00 0.00 0.00 33.47 30.38 1nis s TRP 195 CO 0.54 0.59 0.06 -1.21 -0.00 0.00 0.00 176.95 176.93 1nis s GLU 196 N -0.87 3.42 -0.03 5.86 2.02 -1.26 -0.70 118.70 127.14 1nis s GLU 196 Ca 0.24 -0.31 -0.02 0.00 0.02 0.00 0.00 54.97 54.90 1nis s GLU 196 Cb -0.16 -3.04 0.02 0.00 0.10 0.00 0.00 34.13 31.05 1nis s GLU 196 CO 0.13 0.59 0.07 -1.17 0.02 0.00 0.00 175.26 174.91 1nis s LEU 197 N -0.54 1.21 0.10 1.80 2.96 -0.25 -4.94 118.68 119.02 1nis s LEU 197 Ca 0.11 0.14 -0.31 0.00 -0.22 0.00 0.00 54.13 53.85 1nis s LEU 197 Cb -0.12 0.15 -0.09 0.00 0.50 0.00 0.00 46.19 46.64 1nis s LEU 197 CO 0.02 -0.10 1.62 -0.75 -1.32 0.00 0.00 176.35 175.83 1nis s LYS 198 N 0.75 4.20 -0.19 1.98 2.47 -1.26 -0.13 119.74 127.56 1nis s LYS 198 Ca -0.06 2.34 -0.37 0.00 -1.56 0.00 0.00 55.97 56.32 1nis s LYS 198 Cb -0.08 -3.46 -0.14 0.00 -1.46 0.00 0.00 37.83 32.69 1nis s LYS 198 CO -0.03 -0.69 1.83 0.00 0.16 0.00 0.00 175.35 176.62 1nis s PRO 200 N 3.94 3.86 0.86 0.00 0.04 -1.26 -0.06 135.00 142.37 1nis s PRO 200 Ca 0.96 1.18 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 1nis s PRO 200 Cb -0.88 -2.11 0.11 0.00 0.04 0.00 0.00 34.50 31.65 1nis s PRO 200 CO 0.58 -0.36 1.11 0.15 0.04 0.00 0.00 177.00 178.53 1nis s LYS 201 N -3.56 1.56 -0.12 4.56 -0.14 -0.32 -4.11 119.74 117.61 1nis s LYS 201 Ca 0.63 0.52 -0.01 0.00 -1.36 0.00 0.00 55.97 55.76 1nis s LYS 201 Cb -0.13 -1.87 0.03 0.00 -1.68 0.00 0.00 37.83 34.18 1nis s LYS 201 CO 0.24 -1.96 -0.06 0.08 -0.76 0.00 0.00 175.35 172.89 1nis s VAL 202 N -3.17 0.98 -0.21 3.17 1.01 -1.26 -0.96 120.40 119.97 1nis s VAL 202 Ca 0.62 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 1nis s VAL 202 Cb -0.15 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1nis s VAL 202 CO 0.54 0.30 0.19 -0.63 0.00 0.00 0.00 175.10 175.51 1nis s ILE 203 N 1.72 5.35 -0.09 2.22 1.01 -0.30 -0.49 121.20 130.63 1nis s ILE 203 Ca 0.04 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 1nis s ILE 203 Cb -0.13 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 1nis s ILE 203 CO -0.08 0.38 0.23 -0.83 0.00 0.00 0.00 174.94 174.64 1nis s GLY 204 N 0.72 2.26 -0.20 6.18 0.00 0.08 -1.33 107.32 115.03 1nis s GLY 204 Ca 0.10 -0.50 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1nis s GLY 204 CO 0.02 -0.16 -0.11 0.14 0.00 0.00 0.00 173.10 172.99 1nis s VAL 205 N -0.91 1.74 -0.20 1.40 1.01 -0.60 -0.91 120.40 121.92 1nis s VAL 205 Ca 0.17 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1nis s VAL 205 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1nis s VAL 205 CO 0.07 0.19 0.36 -0.75 0.00 0.00 0.00 175.10 174.96 1nis s LYS 206 N 1.36 4.17 -0.12 2.72 2.20 0.04 -1.11 119.74 129.00 1nis s LYS 206 Ca -0.01 0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 55.69 1nis s LYS 206 Cb -0.16 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1nis s LYS 206 CO -0.08 -0.01 0.03 -0.51 -0.36 0.00 0.00 175.35 174.42 1nis s LEU 207 N 1.22 3.68 0.17 5.43 1.43 0.78 -0.85 118.68 130.54 1nis s LEU 207 Ca 0.17 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 1nis s LEU 207 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1nis s LEU 207 CO 0.07 0.31 -0.18 -0.89 0.23 0.00 0.00 176.35 175.89 1nis s THR 208 N -0.44 1.80 0.00 5.49 2.01 0.46 -0.85 115.64 124.11 1nis s THR 208 Ca 0.09 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.12 1nis s THR 208 Cb -0.12 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1nis s THR 208 CO 0.02 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 1nis n GLY 209 N 0.18 -0.08 3.28 4.40 0.00 -1.26 -0.04 105.19 111.67 1nis n GLY 209 Ca -0.12 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1nis n GLY 209 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nis s SER 210 N -4.00 -0.16 0.35 1.61 1.04 -1.26 -4.20 113.70 107.08 1nis s SER 210 Ca 0.00 -0.25 -0.27 0.00 0.48 0.00 0.00 55.95 55.91 1nis s SER 210 Cb 0.00 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 1nis s SER 210 CO 0.00 -0.72 1.15 -0.76 0.98 0.00 0.00 173.24 173.89 1nis s LEU 211 N -2.39 4.33 0.00 2.42 1.43 -1.26 -2.72 118.68 120.48 1nis s LEU 211 Ca -0.01 2.32 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 1nis s LEU 211 Cb 0.01 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 1nis s LEU 211 CO -0.07 -0.47 -0.05 -0.94 0.23 0.00 0.00 176.35 175.06 1nis s SER 212 N -1.03 0.53 1.92 2.29 1.04 -1.26 -5.03 113.70 112.17 1nis s SER 212 Ca 0.52 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1nis s SER 212 Cb -0.31 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1nis s SER 212 CO 0.40 0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.25 1nis n GLY 213 N 2.83 3.61 0.20 7.32 0.00 -1.26 -2.46 105.19 115.43 1nis n GLY 213 Ca -0.14 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1nis n GLY 213 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1nis h TRP 214 N 0.00 0.00 -3.11 1.61 4.06 -1.94 -3.42 115.95 113.15 1nis h TRP 214 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 1nis h TRP 214 Cb 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.20 1nis h TRP 214 CO 0.00 0.27 0.77 0.99 -3.56 0.00 0.00 178.44 176.91 1nis s THR 215 N -3.33 2.91 0.34 1.49 2.01 -1.03 -4.83 115.64 113.21 1nis s THR 215 Ca 0.03 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1nis s THR 215 Cb 0.08 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1nis s THR 215 CO 0.68 0.08 0.09 -0.94 -0.69 0.00 0.00 174.62 173.84 1nis s SER 216 N 0.79 2.25 0.38 3.53 1.04 -1.26 -4.44 113.70 115.99 1nis s SER 216 Ca 0.63 -1.49 0.11 0.00 0.48 0.00 0.00 55.95 55.69 1nis s SER 216 Cb -0.40 0.18 0.90 0.00 0.10 0.00 0.00 66.02 66.79 1nis s SER 216 CO 0.35 -0.75 1.88 -0.65 0.98 0.00 0.00 173.24 175.05 1nis h PRO 217 N 2.06 0.58 -0.95 4.02 0.11 -1.95 -1.59 132.00 134.29 1nis h PRO 217 Ca -0.38 -0.04 0.21 0.00 0.11 0.00 0.00 66.00 65.90 1nis h PRO 217 Cb 1.25 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1nis h PRO 217 CO 0.63 0.39 0.62 -0.22 -0.21 0.00 0.00 178.00 179.20 1nis h LYS 218 N 0.60 0.46 -0.14 1.05 1.63 -1.93 -2.31 116.57 115.94 1nis h LYS 218 Ca 0.43 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.14 1nis h LYS 218 Cb 0.79 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1nis h LYS 218 CO -0.18 0.30 -0.21 -0.44 -3.45 0.00 0.00 179.45 175.46 1nis h ASP 219 N 0.47 0.23 -0.23 4.20 3.32 -1.65 -0.23 116.42 122.52 1nis h ASP 219 Ca 0.51 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1nis h ASP 219 Cb 1.18 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1nis h ASP 219 CO -0.23 0.46 0.15 0.58 -1.72 0.00 0.00 179.24 178.48 1nis h VAL 220 N 0.22 1.08 0.00 -1.35 2.07 -1.52 -0.22 116.25 116.53 1nis h VAL 220 Ca 0.04 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1nis h VAL 220 Cb 0.51 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1nis h VAL 220 CO 0.03 0.07 -0.66 -0.29 0.02 0.00 0.00 177.57 176.75 1nis h ILE 221 N 0.30 0.63 -0.54 4.57 6.09 -1.53 -1.45 117.51 125.57 1nis h ILE 221 Ca 0.08 -1.94 -0.06 0.00 -1.37 0.00 0.00 64.86 61.57 1nis h ILE 221 Cb -0.01 2.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.49 1nis h ILE 221 CO -0.02 0.36 0.08 -0.07 -3.07 0.00 0.00 178.15 175.43 1nis h LEU 222 N 0.00 0.82 -0.15 2.19 3.38 -0.83 -0.65 115.31 120.06 1nis h LEU 222 Ca -0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1nis h LEU 222 Cb 1.35 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1nis h LEU 222 CO 0.05 0.83 -0.09 0.50 0.09 0.00 0.00 178.44 179.82 1nis h LYS 223 N 0.82 0.33 -0.46 1.13 1.63 -0.94 -2.69 116.57 116.40 1nis h LYS 223 Ca 0.17 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1nis h LYS 223 Cb 0.38 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1nis h LYS 223 CO 0.01 0.67 0.29 0.28 -3.45 0.00 0.00 179.45 177.25 1nis h VAL 224 N -0.01 1.13 -0.88 2.00 2.07 -1.13 -1.83 116.25 117.60 1nis h VAL 224 Ca 0.03 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1nis h VAL 224 Cb 0.58 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1nis h VAL 224 CO 0.03 0.12 0.58 0.00 0.02 0.00 0.00 177.57 178.32 1nis h ALA 225 N 1.15 1.40 -0.41 1.67 0.00 -1.13 0.10 119.26 122.04 1nis h ALA 225 Ca 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1nis h ALA 225 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1nis h ALA 225 CO -0.03 0.55 0.03 0.78 0.00 0.00 0.00 179.25 180.58 1nis h GLY 226 N 1.16 0.77 0.78 0.00 0.00 -1.14 0.04 103.07 104.68 1nis h GLY 226 Ca 0.33 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1nis h GLY 226 CO -0.08 0.50 -0.13 -2.22 0.00 0.00 0.00 176.54 174.60 1nis h ILE 227 N 0.55 0.76 0.00 2.60 2.04 -0.82 -3.34 117.51 119.30 1nis h ILE 227 Ca 0.12 -0.43 -0.17 0.00 1.00 0.00 0.00 64.86 65.39 1nis h ILE 227 Cb 0.43 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1nis h ILE 227 CO 0.01 0.09 -0.79 -0.07 0.00 0.00 0.00 178.15 177.40 1nis h LEU 228 N -0.60 0.00 -0.17 1.44 4.07 -0.82 -3.50 115.31 115.72 1nis h LEU 228 Ca -0.04 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.06 1nis h LEU 228 Cb 0.43 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.12 1nis h LEU 228 CO 0.06 0.79 -0.35 0.35 -1.08 0.00 0.00 178.44 178.21 1nis n THR 229 N -3.33 -0.02 0.25 0.22 -2.24 -0.00 -2.65 114.28 106.50 1nis n THR 229 Ca 0.01 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1nis n THR 229 Cb 0.84 -0.38 0.62 0.00 -2.10 0.00 0.00 70.33 69.31 1nis n THR 229 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1nis h VAL 230 N -0.52 0.00 -0.34 2.28 -1.51 -1.78 -1.66 116.25 112.72 1nis h VAL 230 Ca -0.04 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1nis h VAL 230 Cb 0.51 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 1nis h VAL 230 CO 0.02 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 178.65 1nis n LYS 231 N -2.35 2.86 0.22 5.19 2.85 -1.26 -3.55 118.16 122.12 1nis n LYS 231 Ca -0.00 -2.03 0.11 0.00 -1.05 0.00 0.00 58.31 55.33 1nis n LYS 231 Cb 0.10 -1.26 0.24 0.00 -0.65 0.00 0.00 35.03 33.46 1nis n LYS 231 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1nis h GLY 232 N 1.99 0.00 -2.04 2.58 0.00 -1.06 -3.23 103.07 101.32 1nis h GLY 232 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nis h GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1nis n GLY 233 N 0.91 1.57 3.66 4.60 0.00 0.69 -4.98 105.19 111.64 1nis n GLY 233 Ca 0.03 -0.66 -0.47 0.00 0.00 0.00 0.00 46.02 44.92 1nis n GLY 233 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nis n THR 234 N 1.30 0.06 -0.98 2.61 -1.04 -1.22 -1.89 114.28 113.12 1nis n THR 234 Ca 0.17 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1nis n THR 234 Cb 0.56 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1nis n THR 234 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nis n GLY 235 N 3.38 0.65 3.27 3.41 0.00 -1.26 -4.96 105.19 109.69 1nis n GLY 235 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1nis n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nis s ALA 236 N -2.66 1.74 -0.05 4.61 0.00 -0.79 -1.17 121.76 123.44 1nis s ALA 236 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 1nis s ALA 236 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1nis s ALA 236 CO 0.00 0.33 0.35 0.42 0.00 0.00 0.00 175.76 176.86 1nis s ILE 237 N -1.21 5.16 -0.22 0.00 1.01 -0.14 -0.30 121.20 125.50 1nis s ILE 237 Ca 0.06 0.69 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 1nis s ILE 237 Cb -0.10 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1nis s ILE 237 CO 0.04 0.55 0.35 -0.69 0.00 0.00 0.00 174.94 175.19 1nis s VAL 238 N -0.80 5.23 -0.25 2.92 1.01 -0.48 -1.14 120.40 126.88 1nis s VAL 238 Ca 0.21 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1nis s VAL 238 Cb -0.15 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.60 1nis s VAL 238 CO 0.10 0.26 -0.11 -0.70 0.00 0.00 0.00 175.10 174.65 1nis s GLU 239 N 1.36 2.32 0.14 2.72 2.12 -0.44 -1.03 118.70 125.90 1nis s GLU 239 Ca 0.16 -1.30 -0.25 0.00 0.36 0.00 0.00 54.97 53.95 1nis s GLU 239 Cb -0.15 -2.87 -0.08 0.00 0.26 0.00 0.00 34.13 31.29 1nis s GLU 239 CO 0.07 -0.54 0.76 0.71 -0.54 0.00 0.00 175.26 175.73 1nis s TYR 240 N 1.13 3.88 0.35 5.30 1.51 -0.57 -1.56 117.35 127.39 1nis s TYR 240 Ca -0.08 1.59 -0.08 0.00 -1.01 0.00 0.00 57.07 57.50 1nis s TYR 240 Cb -0.19 -2.76 0.03 0.00 -0.11 0.00 0.00 41.96 38.93 1nis s TYR 240 CO -0.06 0.48 0.61 -2.39 -1.11 0.00 0.00 175.55 173.09 1nis n HIS 241 N 1.78 -1.88 0.00 2.71 1.44 -0.26 -4.22 115.22 114.79 1nis n HIS 241 Ca -0.05 -1.97 0.00 0.00 -2.01 0.00 0.00 57.72 53.69 1nis n HIS 241 Cb 0.49 0.71 0.00 0.00 0.12 0.00 0.00 29.99 31.31 1nis n HIS 241 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nis n GLY 242 N -0.52 2.42 0.33 -1.39 0.00 -1.26 -0.16 105.19 104.62 1nis n GLY 242 Ca -0.04 -1.96 0.17 0.00 0.00 0.00 0.00 46.02 44.19 1nis n GLY 242 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nis h PRO 243 N 0.00 0.00 0.00 1.61 0.13 -1.93 -2.39 132.00 129.42 1nis h PRO 243 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nis h PRO 243 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nis h PRO 243 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1nis n GLY 244 N -1.38 -1.38 0.34 1.56 0.00 -0.03 -3.45 105.19 100.86 1nis n GLY 244 Ca 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1nis n GLY 244 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nis h VAL 245 N 0.00 1.24 0.00 1.61 2.07 -1.63 -2.50 116.25 117.04 1nis h VAL 245 Ca 0.00 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1nis h VAL 245 Cb 0.46 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1nis h VAL 245 CO 0.00 0.28 0.00 0.47 0.02 0.00 0.00 177.57 178.34 1nis n ASP 246 N -4.33 0.15 0.02 0.57 9.92 -1.22 -1.67 116.55 119.99 1nis n ASP 246 Ca 0.08 0.55 0.14 0.00 -0.53 0.00 0.00 54.79 55.02 1nis n ASP 246 Cb 0.13 -0.58 0.53 0.00 -0.64 0.00 0.00 41.12 40.56 1nis n ASP 246 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1nis n SER 247 N -1.68 0.20 -4.59 -2.24 2.88 -0.94 -4.85 113.62 102.41 1nis n SER 247 Ca 0.02 0.41 -0.34 0.00 -1.33 0.00 0.00 58.87 57.63 1nis n SER 247 Cb 0.12 -0.43 -0.11 0.00 -0.75 0.00 0.00 64.21 63.03 1nis n SER 247 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1nis s ILE 248 N -3.02 4.24 0.89 2.46 1.01 -0.67 -4.75 121.20 121.36 1nis s ILE 248 Ca 0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 1nis s ILE 248 Cb 0.18 -2.85 0.12 0.00 0.01 0.00 0.00 42.46 39.92 1nis s ILE 248 CO 0.57 0.52 1.10 -0.94 0.00 0.00 0.00 174.94 176.19 1nis s SER 249 N -0.02 3.41 0.27 3.58 1.04 -1.26 -4.82 113.70 115.90 1nis s SER 249 Ca 0.03 1.81 -0.03 0.00 0.48 0.00 0.00 55.95 58.24 1nis s SER 249 Cb -0.13 -2.42 0.39 0.00 0.10 0.00 0.00 66.02 63.97 1nis s SER 249 CO 0.02 -2.73 1.90 0.00 0.98 0.00 0.00 173.24 173.42 1nis h THR 251 N 1.20 1.46 -0.75 0.00 1.35 -1.92 -2.03 112.91 112.22 1nis h THR 251 Ca 0.41 -2.22 -0.05 0.00 -0.55 0.00 0.00 66.41 64.00 1nis h THR 251 Cb 0.08 2.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 1nis h THR 251 CO -0.14 0.64 0.28 1.23 -0.25 0.00 0.00 175.52 177.28 1nis h GLY 252 N 1.86 1.21 1.22 5.82 0.00 -1.63 -1.28 103.07 110.26 1nis h GLY 252 Ca -0.01 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 1nis h GLY 252 CO 0.09 0.63 -0.07 -0.33 0.00 0.00 0.00 176.54 176.86 1nis h MET 253 N 1.10 0.93 -0.81 4.80 0.00 -0.72 -1.76 114.93 118.46 1nis h MET 253 Ca 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 59.70 59.64 1nis h MET 253 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 31.60 31.72 1nis h MET 253 CO -0.02 0.96 0.50 0.00 0.00 0.00 0.00 176.91 178.35 1nis h ALA 254 N 1.07 1.04 -0.20 6.32 0.00 -1.08 -0.28 119.26 126.13 1nis h ALA 254 Ca 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1nis h ALA 254 Cb 0.59 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1nis h ALA 254 CO 0.04 0.49 0.03 1.15 0.00 0.00 0.00 179.25 180.96 1nis h THR 255 N 1.11 0.90 -0.22 0.00 2.02 -0.61 0.26 112.91 116.38 1nis h THR 255 Ca 0.29 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1nis h THR 255 Cb -0.05 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1nis h THR 255 CO -0.06 0.02 0.07 0.40 0.37 0.00 0.00 175.52 176.33 1nis h ILE 256 N 0.10 1.19 -0.55 3.11 2.04 -1.08 -2.80 117.51 119.53 1nis h ILE 256 Ca 0.09 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1nis h ILE 256 Cb 0.09 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1nis h ILE 256 CO -0.13 0.19 0.25 0.00 0.00 0.00 0.00 178.15 178.46 1nis h ASN 258 N 0.77 -0.75 0.00 0.00 -0.73 -0.23 -3.01 115.58 111.63 1nis h ASN 258 Ca 0.19 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1nis h ASN 258 Cb 0.10 0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.93 1nis h ASN 258 CO -0.02 -0.44 0.00 0.80 -0.37 0.00 0.00 177.43 177.40 1nis n MET 259 N -5.41 0.96 0.14 6.67 1.56 -1.10 -2.19 117.12 117.75 1nis n MET 259 Ca -0.10 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.44 1nis n MET 259 Cb 0.32 -1.47 0.53 0.00 2.15 0.00 0.00 33.22 34.75 1nis n MET 259 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1nis n GLY 260 N 0.89 -1.11 0.27 -5.12 0.00 -1.13 -0.95 105.19 98.04 1nis n GLY 260 Ca 0.22 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.46 1nis n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nis h ALA 261 N 2.16 2.05 0.00 4.61 0.00 -1.62 -2.62 119.26 123.84 1nis h ALA 261 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nis h ALA 261 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nis h ALA 261 CO 0.00 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1nis n GLU 262 N -4.51 0.46 -0.20 0.00 4.71 -0.13 -1.89 120.64 119.08 1nis n GLU 262 Ca -0.02 0.04 0.06 0.00 -0.01 0.00 0.00 57.16 57.24 1nis n GLU 262 Cb 0.15 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 29.25 1nis n GLU 262 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1nis n ILE 263 N -1.22 0.97 -0.79 -3.67 -5.35 -0.99 -4.19 119.36 104.12 1nis n ILE 263 Ca 0.13 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 1nis n ILE 263 Cb 0.17 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1nis n ILE 263 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nis n GLY 264 N 0.66 0.65 3.69 3.28 0.00 -0.79 -0.22 105.19 112.47 1nis n GLY 264 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1nis n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nis n ALA 265 N 0.38 1.06 -0.11 4.61 0.00 -1.18 -3.45 120.51 121.82 1nis n ALA 265 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 1nis n ALA 265 Cb 0.00 -2.25 0.26 0.00 0.00 0.00 0.00 19.45 17.46 1nis n ALA 265 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nis h THR 266 N 1.36 1.19 -1.85 0.00 2.02 -0.81 -3.45 112.91 111.36 1nis h THR 266 Ca -0.49 -0.56 0.34 0.00 0.77 0.00 0.00 66.41 66.46 1nis h THR 266 Cb 1.32 0.51 -0.09 0.00 -1.74 0.00 0.00 68.15 68.15 1nis h THR 266 CO 0.56 0.23 0.88 0.28 0.37 0.00 0.00 175.52 177.84 1nis s THR 267 N -5.42 0.00 0.13 3.16 -1.32 -1.26 -4.47 115.64 106.46 1nis s THR 267 Ca -0.10 -0.18 0.05 0.00 -1.21 0.00 0.00 61.69 60.25 1nis s THR 267 Cb 0.16 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 1nis s THR 267 CO 0.78 0.00 -0.12 -0.44 -2.21 0.00 0.00 174.62 172.63 1nis s SER 268 N -3.50 1.84 -0.03 8.08 0.01 -1.26 -1.38 113.70 117.46 1nis s SER 268 Ca 0.24 -0.89 -0.16 0.00 1.31 0.00 0.00 55.95 56.44 1nis s SER 268 Cb 0.02 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.24 1nis s SER 268 CO -0.02 -0.24 0.35 0.54 0.41 0.00 0.00 173.24 174.28 1nis s VAL 269 N -2.67 0.04 0.11 3.43 0.11 -0.20 -4.27 120.40 116.96 1nis s VAL 269 Ca 0.12 -0.37 0.08 0.00 -2.93 0.00 0.00 61.98 58.88 1nis s VAL 269 Cb -0.02 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1nis s VAL 269 CO 0.02 -0.20 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.06 1nis s PHE 270 N -1.11 2.58 0.40 1.54 0.40 -1.04 -1.51 117.98 119.24 1nis s PHE 270 Ca -0.12 -0.24 -0.25 0.00 -0.60 0.00 0.00 56.93 55.73 1nis s PHE 270 Cb -0.04 -1.38 -0.09 0.00 0.51 0.00 0.00 43.02 42.02 1nis s PHE 270 CO 0.04 0.38 1.11 -1.25 0.70 0.00 0.00 175.22 176.20 1nis s PRO 271 N -2.09 4.11 0.22 0.24 0.04 -1.26 -3.94 135.00 132.32 1nis s PRO 271 Ca 0.18 1.67 -0.32 0.00 0.04 0.00 0.00 61.00 62.57 1nis s PRO 271 Cb -0.11 -2.62 -0.13 0.00 0.04 0.00 0.00 34.50 31.69 1nis s PRO 271 CO 0.10 -0.22 1.60 0.98 0.04 0.00 0.00 177.00 179.50 1nis n TYR 272 N 0.02 2.53 -3.95 0.56 9.36 -0.88 -4.89 117.16 119.92 1nis n TYR 272 Ca 0.05 0.22 -0.12 0.00 3.32 0.00 0.00 57.90 61.37 1nis n TYR 272 Cb 0.48 -2.58 -0.02 0.00 -0.63 0.00 0.00 39.34 36.59 1nis n TYR 272 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1nis n ASN 273 N 3.10 -1.33 0.28 2.98 0.23 -1.26 -4.87 115.26 114.39 1nis n ASN 273 Ca 0.14 -2.62 0.16 0.00 -0.53 0.00 0.00 54.58 51.73 1nis n ASN 273 Cb 0.33 2.41 0.76 0.00 -2.08 0.00 0.00 39.78 41.20 1nis n ASN 273 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1nis h HIS 274 N 1.88 0.00 -0.24 -2.53 2.07 -1.99 -2.35 115.15 112.00 1nis h HIS 274 Ca -0.25 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.11 1nis h HIS 274 Cb 1.05 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.02 1nis h HIS 274 CO 0.00 0.06 -0.52 0.00 -3.07 0.00 0.00 177.93 174.41 1nis h ARG 275 N 0.00 0.68 -0.34 5.12 2.47 -1.92 -1.93 114.38 118.46 1nis h ARG 275 Ca -0.00 -0.41 -0.06 0.00 -1.26 0.00 0.00 59.98 58.25 1nis h ARG 275 Cb 0.41 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 1nis h ARG 275 CO 0.01 1.03 -0.02 0.52 0.56 0.00 0.00 179.97 182.07 1nis h MET 276 N 0.53 0.62 -0.70 0.04 2.86 -1.82 -2.00 114.93 114.45 1nis h MET 276 Ca 0.02 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1nis h MET 276 Cb 1.08 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.63 1nis h MET 276 CO 0.11 0.75 0.38 -0.22 1.06 0.00 0.00 176.91 178.99 1nis h LYS 277 N 0.42 0.66 -0.33 1.72 3.64 -1.34 0.62 116.57 121.95 1nis h LYS 277 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1nis h LYS 277 Cb 0.49 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1nis h LYS 277 CO 0.02 0.44 0.19 -0.22 -2.27 0.00 0.00 179.45 177.61 1nis h LYS 278 N 0.68 0.46 -0.52 1.90 3.64 -1.26 -0.90 116.57 120.57 1nis h LYS 278 Ca 0.33 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1nis h LYS 278 Cb 0.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1nis h LYS 278 CO -0.21 0.37 0.18 -0.92 -2.27 0.00 0.00 179.45 176.60 1nis h TYR 279 N 0.42 0.83 -0.59 1.91 3.20 -0.57 -1.60 116.97 120.58 1nis h TYR 279 Ca 0.12 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1nis h TYR 279 Cb 0.04 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1nis h TYR 279 CO -0.03 0.71 0.38 -0.07 -1.64 0.00 0.00 178.16 177.51 1nis h LEU 280 N 0.72 0.66 -0.70 2.82 3.38 -0.68 -1.35 115.31 120.15 1nis h LEU 280 Ca 0.17 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1nis h LEU 280 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1nis h LEU 280 CO -0.01 0.47 0.04 0.28 0.09 0.00 0.00 178.44 179.31 1nis h SER 281 N 0.78 1.01 1.04 -0.43 0.02 -0.98 0.31 113.55 115.30 1nis h SER 281 Ca 0.22 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1nis h SER 281 Cb -0.07 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.21 1nis h SER 281 CO -0.06 1.04 0.00 1.17 -1.14 0.00 0.00 176.83 177.84 1nis n LYS 282 N -4.19 0.19 -1.09 3.45 3.00 -0.62 -2.97 118.16 115.93 1nis n LYS 282 Ca 0.03 0.29 -0.17 0.00 -0.00 0.00 0.00 58.31 58.46 1nis n LYS 282 Cb 0.32 -1.79 0.18 0.00 0.00 0.00 0.00 35.03 33.75 1nis n LYS 282 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1nis n THR 283 N -2.13 2.98 -1.13 3.15 -2.24 -0.54 -4.61 114.28 109.76 1nis n THR 283 Ca 0.04 -2.27 -0.04 0.00 -2.27 0.00 0.00 64.05 59.51 1nis n THR 283 Cb 0.32 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 1nis n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nis n GLY 284 N -1.14 0.73 2.44 3.38 0.00 -1.16 -4.94 105.19 104.50 1nis n GLY 284 Ca 0.50 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 1nis n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nis n ARG 285 N -2.77 2.69 0.01 1.61 1.74 0.11 -4.82 116.66 115.23 1nis n ARG 285 Ca -0.04 -3.93 0.04 0.00 -0.77 0.00 0.00 57.85 53.15 1nis n ARG 285 Cb 0.16 -1.93 0.43 0.00 -1.02 0.00 0.00 32.46 30.10 1nis n ARG 285 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nis h ALA 286 N 2.51 1.71 -0.41 7.54 0.00 -1.79 -1.73 119.26 127.10 1nis h ALA 286 Ca 0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1nis h ALA 286 Cb 1.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1nis h ALA 286 CO 0.59 0.27 0.06 0.38 0.00 0.00 0.00 179.25 180.54 1nis h ASP 287 N 0.54 0.58 -0.17 0.00 2.03 -1.93 0.43 116.42 117.90 1nis h ASP 287 Ca 0.15 -0.10 -0.20 0.00 -0.73 0.00 0.00 57.03 56.15 1nis h ASP 287 Cb -0.06 -0.15 0.01 0.00 -0.83 0.00 0.00 39.33 38.30 1nis h ASP 287 CO -0.03 0.61 -0.67 0.40 -1.03 0.00 0.00 179.24 178.52 1nis h ILE 288 N 0.60 1.30 -0.43 4.15 2.04 -1.78 -0.67 117.51 122.72 1nis h ILE 288 Ca 0.13 -1.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.07 1nis h ILE 288 Cb 0.30 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1nis h ILE 288 CO 0.00 0.60 0.11 0.00 0.00 0.00 0.00 178.15 178.86 1nis h ALA 289 N 0.55 1.39 -0.30 1.87 0.00 -0.82 -0.62 119.26 121.35 1nis h ALA 289 Ca -0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1nis h ALA 289 Cb 1.30 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nis h ALA 289 CO 0.14 0.44 -0.39 -0.91 0.00 0.00 0.00 179.25 178.53 1nis h ASN 290 N 0.63 0.86 -0.47 0.00 2.35 -0.78 -1.23 115.58 116.94 1nis h ASN 290 Ca 0.15 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 1nis h ASN 290 Cb 0.22 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1nis h ASN 290 CO -0.00 1.19 0.20 0.25 -1.65 0.00 0.00 177.43 177.41 1nis h LEU 291 N 0.55 0.64 -0.95 1.61 5.85 -0.77 -2.85 115.31 119.38 1nis h LEU 291 Ca 0.03 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1nis h LEU 291 Cb 0.98 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1nis h LEU 291 CO 0.09 0.62 0.26 0.00 -0.34 0.00 0.00 178.44 179.07 1nis h ALA 292 N 1.05 1.17 -0.98 1.25 0.00 -1.04 -1.20 119.26 119.50 1nis h ALA 292 Ca 0.16 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1nis h ALA 292 Cb 0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1nis h ALA 292 CO -0.02 0.60 0.62 -0.44 0.00 0.00 0.00 179.25 180.01 1nis h ASP 293 N 1.00 0.83 0.89 0.00 3.32 -1.02 0.17 116.42 121.61 1nis h ASP 293 Ca 0.23 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1nis h ASP 293 Cb 0.21 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1nis h ASP 293 CO -0.02 0.40 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.28 1nis h GLU 294 N 0.87 0.00 -0.31 3.56 5.08 -1.02 -3.18 114.58 119.58 1nis h GLU 294 Ca 0.51 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 1nis h GLU 294 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1nis h GLU 294 CO -0.28 0.29 0.01 1.19 -1.00 0.00 0.00 179.01 179.22 1nis n PHE 295 N -3.46 1.10 -0.34 4.33 3.01 -0.37 -4.78 117.46 116.95 1nis n PHE 295 Ca -0.00 -0.95 0.22 0.00 1.01 0.00 0.00 57.45 57.73 1nis n PHE 295 Cb 0.47 -0.36 0.47 0.00 -0.01 0.00 0.00 39.48 40.05 1nis n PHE 295 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1nis h LYS 296 N 1.89 0.42 -0.28 -1.08 1.63 -1.01 -0.28 116.57 117.86 1nis h LYS 296 Ca 0.03 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1nis h LYS 296 Cb 1.54 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.07 1nis h LYS 296 CO 0.28 0.28 0.19 -0.44 -3.45 0.00 0.00 179.45 176.31 1nis h ASP 297 N 0.43 0.26 0.37 4.20 3.32 -1.87 -0.60 116.42 122.52 1nis h ASP 297 Ca 0.64 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 1nis h ASP 297 Cb 1.50 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1nis h ASP 297 CO -0.39 0.18 -0.07 1.41 -1.72 0.00 0.00 179.24 178.66 1nis n HIS 298 N -4.49 0.00 -0.47 4.55 8.25 -0.12 -3.86 115.22 119.08 1nis n HIS 298 Ca 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.54 1nis n HIS 298 Cb 0.13 -0.19 0.15 0.00 1.12 0.00 0.00 29.99 31.21 1nis n HIS 298 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nis n LEU 299 N -1.02 2.95 -4.22 2.41 4.77 -0.24 -4.77 117.00 116.88 1nis n LEU 299 Ca 0.16 -2.40 -0.13 0.00 -0.03 0.00 0.00 56.01 53.61 1nis n LEU 299 Cb 0.25 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1nis n LEU 299 CO 0.23 0.67 -0.40 0.68 -1.33 0.00 0.00 177.39 177.23 1nis s VAL 300 N -1.71 0.99 0.75 4.08 -7.23 -1.19 -2.06 120.40 114.02 1nis s VAL 300 Ca 0.25 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 1nis s VAL 300 Cb 0.18 -1.77 0.05 0.00 0.56 0.00 0.00 36.38 35.39 1nis s VAL 300 CO 0.09 -0.79 1.12 -2.16 -0.31 0.00 0.00 175.10 173.05 1nis s PRO 301 N -3.75 2.28 0.58 4.82 0.04 -1.26 -4.59 135.00 133.12 1nis s PRO 301 Ca 0.15 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1nis s PRO 301 Cb 0.03 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1nis s PRO 301 CO -0.01 -1.65 1.05 -0.51 0.04 0.00 0.00 177.00 175.92 1nis s ASP 302 N -2.90 5.90 0.15 6.66 1.01 -0.72 -4.90 116.67 121.88 1nis s ASP 302 Ca 0.65 1.78 -0.31 0.00 0.71 0.00 0.00 52.55 55.38 1nis s ASP 302 Cb -0.20 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.11 1nis s ASP 302 CO 0.50 -1.08 1.45 -0.55 0.21 0.00 0.00 175.17 175.70 1nis s SER 303 N -2.84 6.73 -0.76 0.27 0.15 -1.26 -2.34 113.70 113.64 1nis s SER 303 Ca 0.63 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.75 1nis s SER 303 Cb -0.15 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1nis s SER 303 CO 0.36 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1nis n GLY 304 N 3.35 0.55 3.78 9.45 0.00 -1.26 -4.81 105.19 116.26 1nis n GLY 304 Ca 0.11 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1nis n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nis s HIS 306 N -2.22 3.34 -0.01 0.00 5.65 -1.26 -4.99 115.29 115.80 1nis s HIS 306 Ca 0.67 0.32 -0.09 0.00 0.25 0.00 0.00 55.06 56.21 1nis s HIS 306 Cb -0.20 -2.30 -0.05 0.00 -1.18 0.00 0.00 32.58 28.85 1nis s HIS 306 CO 0.35 0.09 0.30 0.71 -0.65 0.00 0.00 174.74 175.55 1nis s TYR 307 N 0.98 3.62 -0.40 3.88 2.02 -1.26 -4.89 117.35 121.31 1nis s TYR 307 Ca 0.10 0.71 0.26 0.00 -0.37 0.00 0.00 57.07 57.78 1nis s TYR 307 Cb -0.13 -2.09 0.79 0.00 -0.40 0.00 0.00 41.96 40.13 1nis s TYR 307 CO 0.04 0.63 1.75 -0.44 -1.57 0.00 0.00 175.55 175.97 1nis h ASP 308 N 4.33 0.00 -3.78 2.29 3.32 -1.17 -3.44 116.42 117.98 1nis h ASP 308 Ca -0.51 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.42 1nis h ASP 308 Cb 1.21 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 1nis h ASP 308 CO 0.63 0.00 -0.22 -1.58 -1.72 0.00 0.00 179.24 176.35 1nis s GLN 309 N -3.30 0.49 -0.05 3.56 0.74 -1.24 -5.03 119.66 114.82 1nis s GLN 309 Ca 0.06 0.63 0.05 0.00 0.05 0.00 0.00 55.36 56.16 1nis s GLN 309 Cb 0.08 0.20 -0.02 0.00 1.10 0.00 0.00 33.01 34.38 1nis s GLN 309 CO 0.58 -0.08 -0.21 -1.17 -0.55 0.00 0.00 175.29 173.87 1nis s LEU 310 N 0.43 2.35 0.01 3.68 1.98 -1.26 -0.74 118.68 125.14 1nis s LEU 310 Ca -0.02 -0.37 0.06 0.00 -2.89 0.00 0.00 54.13 50.91 1nis s LEU 310 Cb -0.04 -1.45 -0.02 0.00 0.66 0.00 0.00 46.19 45.34 1nis s LEU 310 CO -0.02 0.30 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.92 1nis s ILE 311 N -0.46 1.48 -0.08 6.68 1.01 -0.09 -4.95 121.20 124.79 1nis s ILE 311 Ca 0.05 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1nis s ILE 311 Cb -0.12 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1nis s ILE 311 CO 0.01 0.28 -0.21 -0.70 0.00 0.00 0.00 174.94 174.32 1nis s GLU 312 N -0.80 2.87 -0.08 2.79 2.12 -1.26 -0.78 118.70 123.56 1nis s GLU 312 Ca 0.06 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.57 1nis s GLU 312 Cb -0.08 -2.32 0.02 0.00 0.26 0.00 0.00 34.13 32.01 1nis s GLU 312 CO 0.00 0.30 -0.11 0.42 -0.54 0.00 0.00 175.26 175.34 1nis s ILE 313 N 0.05 1.14 -0.48 -3.70 1.01 -0.03 -4.95 121.20 114.24 1nis s ILE 313 Ca -0.09 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 1nis s ILE 313 Cb -0.15 -1.06 0.06 0.00 0.01 0.00 0.00 42.46 41.31 1nis s ILE 313 CO 0.06 0.36 0.50 0.21 0.00 0.00 0.00 174.94 176.07 1nis s ASN 314 N 0.91 6.19 0.54 3.58 2.47 -1.26 -0.41 114.94 126.96 1nis s ASN 314 Ca -0.10 -1.03 0.23 0.00 0.42 0.00 0.00 52.86 52.38 1nis s ASN 314 Cb -0.15 -2.24 1.44 0.00 -1.45 0.00 0.00 41.25 38.86 1nis s ASN 314 CO 0.01 -0.74 2.10 -0.07 -3.72 0.00 0.00 177.10 174.68 1nis h LEU 315 N 9.21 0.00 -0.41 3.21 4.07 -0.73 -2.41 115.31 128.25 1nis h LEU 315 Ca -0.28 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.53 1nis h LEU 315 Cb 1.10 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.82 1nis h LEU 315 CO 0.90 0.00 -0.75 0.28 -1.08 0.00 0.00 178.44 177.78 1nis h SER 316 N 0.00 0.00 0.80 -0.43 0.02 -1.67 -2.91 113.55 109.36 1nis h SER 316 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1nis h SER 316 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1nis h SER 316 CO -0.00 0.75 -0.41 -0.62 -1.14 0.00 0.00 176.83 175.41 1nis n GLU 317 N -3.56 0.12 -2.22 3.45 4.71 -0.94 -4.86 120.64 117.34 1nis n GLU 317 Ca -0.00 0.05 -0.41 0.00 -0.01 0.00 0.00 57.16 56.78 1nis n GLU 317 Cb 0.75 -1.59 -0.03 0.00 -1.01 0.00 0.00 31.44 29.56 1nis n GLU 317 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1nis s LEU 318 N -3.56 4.44 0.24 -4.62 2.96 -1.02 -5.03 118.68 112.09 1nis s LEU 318 Ca 0.10 2.48 0.07 0.00 -0.22 0.00 0.00 54.13 56.56 1nis s LEU 318 Cb 0.16 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 1nis s LEU 318 CO 0.67 -0.47 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.58 1nis s LYS 319 N -0.83 1.45 0.29 1.98 3.01 -1.26 -4.80 119.74 119.57 1nis s LYS 319 Ca 0.52 -1.69 -0.28 0.00 -1.01 0.00 0.00 55.97 53.51 1nis s LYS 319 Cb -0.37 -1.14 -0.14 0.00 -1.01 0.00 0.00 37.83 35.17 1nis s LYS 319 CO 0.43 0.11 1.02 -2.30 0.51 0.00 0.00 175.35 175.12 1nis n PRO 320 N -0.48 1.36 -4.38 -1.68 -0.02 -1.26 -4.91 135.00 123.63 1nis n PRO 320 Ca -0.07 0.48 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 1nis n PRO 320 Cb 0.62 -1.85 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 1nis n PRO 320 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1nis s HIS 321 N -1.04 1.81 -0.09 6.00 3.76 -1.26 -1.69 115.29 122.78 1nis s HIS 321 Ca 0.59 -0.64 -0.05 0.00 -0.15 0.00 0.00 55.06 54.81 1nis s HIS 321 Cb -0.70 -0.93 0.04 0.00 1.11 0.00 0.00 32.58 32.10 1nis s HIS 321 CO 0.60 0.31 0.21 -1.50 -0.85 0.00 0.00 174.74 173.50 1nis s ILE 322 N -3.01 -0.04 0.07 0.60 2.07 -0.03 -4.55 121.20 116.31 1nis s ILE 322 Ca 0.26 0.14 0.10 0.00 -1.41 0.00 0.00 60.65 59.74 1nis s ILE 322 Cb 0.01 -0.32 -0.03 0.00 0.13 0.00 0.00 42.46 42.25 1nis s ILE 322 CO 0.09 0.06 -0.26 0.20 -1.91 0.00 0.00 174.94 173.12 1nis s ASN 323 N 1.12 3.26 0.00 4.50 -0.87 0.26 -1.28 114.94 121.93 1nis s ASN 323 Ca -0.08 -0.62 0.00 0.00 -1.57 0.00 0.00 52.86 50.59 1nis s ASN 323 Cb -0.10 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 40.83 1nis s ASN 323 CO -0.07 0.24 0.00 0.61 -2.57 0.00 0.00 177.10 175.31 1nis n GLY 324 N 1.53 0.70 0.00 0.66 0.00 -0.25 -0.39 105.19 107.44 1nis n GLY 324 Ca -0.17 -2.19 0.10 0.00 0.00 0.00 0.00 46.02 43.76 1nis n GLY 324 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nis n PRO 325 N -0.65 0.08 0.00 1.61 -0.04 -1.26 -4.86 135.00 129.88 1nis n PRO 325 Ca 0.00 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1nis n PRO 325 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1nis n PRO 325 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1nis n PHE 326 N -1.60 0.00 -3.88 0.54 3.01 -1.26 -3.68 117.46 110.59 1nis n PHE 326 Ca 0.03 -0.35 -0.11 0.00 1.01 0.00 0.00 57.45 58.03 1nis n PHE 326 Cb 0.36 -0.04 -0.11 0.00 -0.01 0.00 0.00 39.48 39.68 1nis n PHE 326 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1nis s THR 327 N -0.70 0.06 -0.73 4.37 -4.23 -1.26 -4.10 115.64 109.05 1nis s THR 327 Ca 0.00 -0.51 0.25 0.00 -1.18 0.00 0.00 61.69 60.24 1nis s THR 327 Cb 0.00 -0.31 0.25 0.00 1.34 0.00 0.00 72.50 73.78 1nis s THR 327 CO 0.00 -0.28 1.75 -0.81 -0.54 0.00 0.00 174.62 174.74 1nis n PRO 328 N 1.99 0.17 0.00 3.99 -0.04 -1.26 -3.58 135.00 136.28 1nis n PRO 328 Ca -0.20 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1nis n PRO 328 Cb 0.57 -1.74 0.24 0.00 -0.04 0.00 0.00 33.50 32.53 1nis n PRO 328 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nis n ASP 329 N -2.04 1.29 -4.56 3.54 5.68 -1.26 -4.71 116.55 114.48 1nis n ASP 329 Ca 0.05 -1.04 -0.38 0.00 -0.50 0.00 0.00 54.79 52.92 1nis n ASP 329 Cb 0.33 0.27 -0.03 0.00 -1.14 0.00 0.00 41.12 40.55 1nis n ASP 329 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1nis s LEU 330 N -2.54 3.37 0.04 -2.12 0.20 -1.25 -3.97 118.68 112.41 1nis s LEU 330 Ca 0.21 -1.06 -0.13 0.00 0.69 0.00 0.00 54.13 53.84 1nis s LEU 330 Cb 0.19 -2.56 -0.06 0.00 -0.43 0.00 0.00 46.19 43.32 1nis s LEU 330 CO 0.56 -1.86 0.41 0.00 -0.29 0.00 0.00 176.35 175.17 1nis s ALA 331 N 6.39 3.70 0.00 5.97 0.00 -1.26 -1.09 121.76 135.48 1nis s ALA 331 Ca 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 1nis s ALA 331 Cb -0.03 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1nis s ALA 331 CO -0.03 0.51 0.00 -1.01 0.00 0.00 0.00 175.76 175.23 1nis s HIS 332 N -1.21 0.09 0.60 0.00 3.76 -0.40 -4.98 115.29 113.13 1nis s HIS 332 Ca 0.28 -0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.82 1nis s HIS 332 Cb -0.16 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.43 1nis s HIS 332 CO 0.15 -0.08 1.23 -2.14 -0.85 0.00 0.00 174.74 173.04 1nis s PRO 333 N -0.58 2.93 0.14 8.40 0.02 -1.26 -0.85 135.00 143.79 1nis s PRO 333 Ca -0.06 1.88 -0.17 0.00 0.02 0.00 0.00 61.00 62.67 1nis s PRO 333 Cb -0.04 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1nis s PRO 333 CO -0.00 -1.25 1.76 0.28 -0.33 0.00 0.00 177.00 177.46 1nis h VAL 334 N 0.88 1.12 -1.72 3.83 2.07 -1.61 -1.44 116.25 119.38 1nis h VAL 334 Ca -0.51 -0.29 0.50 0.00 0.82 0.00 0.00 66.70 67.23 1nis h VAL 334 Cb 1.30 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 1nis h VAL 334 CO 0.55 0.12 1.28 0.00 0.02 0.00 0.00 177.57 179.54 1nis h ALA 335 N 1.08 3.63 -0.00 1.67 0.00 -1.90 -1.18 119.26 122.56 1nis h ALA 335 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nis h ALA 335 Cb 0.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nis h ALA 335 CO -0.02 -2.17 -0.11 0.39 0.00 0.00 0.00 179.25 177.33 1nis n GLU 336 N -3.92 3.23 -0.00 0.00 1.02 -0.62 -4.61 120.64 115.73 1nis n GLU 336 Ca 0.38 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1nis n GLU 336 Cb 1.81 -0.85 0.31 0.00 -0.02 0.00 0.00 31.44 32.69 1nis n GLU 336 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1nis h VAL 337 N 0.36 1.18 -0.71 2.62 3.04 -0.42 -1.81 116.25 120.51 1nis h VAL 337 Ca 0.00 -0.69 0.04 0.00 -1.01 0.00 0.00 66.70 65.03 1nis h VAL 337 Cb 0.13 0.87 -0.04 0.00 -2.01 0.00 0.00 31.29 30.24 1nis h VAL 337 CO 0.00 0.24 0.47 1.23 -1.01 0.00 0.00 177.57 178.50 1nis h GLY 338 N 0.80 0.98 1.71 3.17 0.00 -1.71 0.82 103.07 108.83 1nis h GLY 338 Ca 0.12 -0.34 -0.24 0.00 0.00 0.00 0.00 47.33 46.87 1nis h GLY 338 CO 0.00 0.29 -1.20 1.76 0.00 0.00 0.00 176.54 177.40 1nis h SER 339 N 0.85 0.10 0.35 0.19 0.02 -1.73 -3.05 113.55 110.29 1nis h SER 339 Ca 0.28 -0.12 -0.21 0.00 -0.84 0.00 0.00 61.79 60.91 1nis h SER 339 Cb 0.07 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1nis h SER 339 CO -0.08 1.10 -0.85 0.58 -1.14 0.00 0.00 176.83 176.43 1nis h VAL 340 N 0.02 1.41 0.06 2.27 2.07 -0.50 -2.42 116.25 119.16 1nis h VAL 340 Ca -0.09 -2.36 -0.00 0.00 0.82 0.00 0.00 66.70 65.06 1nis h VAL 340 Cb 1.86 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1nis h VAL 340 CO 0.14 0.70 -0.03 0.00 0.02 0.00 0.00 177.57 178.40 1nis h ALA 341 N 0.85 -0.08 -0.28 1.67 0.00 -0.96 0.11 119.26 120.57 1nis h ALA 341 Ca -0.06 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nis h ALA 341 Cb 1.47 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 1nis h ALA 341 CO 0.14 -0.50 -0.21 1.49 0.00 0.00 0.00 179.25 180.17 1nis h GLU 342 N -0.17 -0.19 -0.28 0.00 4.81 -1.54 0.25 114.58 117.46 1nis h GLU 342 Ca -0.01 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1nis h GLU 342 Cb 0.14 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1nis h GLU 342 CO 0.01 -0.13 0.12 -0.22 -0.73 0.00 0.00 179.01 178.07 1nis h LYS 343 N -0.19 0.25 -0.00 1.92 3.64 -1.27 -3.13 116.57 117.78 1nis h LYS 343 Ca 0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1nis h LYS 343 Cb 0.42 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1nis h LYS 343 CO -0.39 0.16 -0.18 -1.91 -2.27 0.00 0.00 179.45 174.86 1nis n GLU 344 N -5.00 0.41 -2.45 1.90 4.07 0.38 -4.92 120.64 115.02 1nis n GLU 344 Ca -0.01 -0.16 -0.03 0.00 -0.06 0.00 0.00 57.16 56.91 1nis n GLU 344 Cb 0.09 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 29.98 1nis n GLU 344 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nis n GLY 345 N 1.38 0.57 3.70 8.31 0.00 0.73 -5.05 105.19 114.84 1nis n GLY 345 Ca 0.11 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1nis n GLY 345 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nis s TRP 346 N -3.05 3.31 0.17 1.61 0.51 -0.43 -5.04 118.94 116.02 1nis s TRP 346 Ca 0.05 0.21 -0.34 0.00 -2.12 0.00 0.00 56.10 53.90 1nis s TRP 346 Cb -0.02 -1.98 -0.14 0.00 -0.81 0.00 0.00 33.47 30.52 1nis s TRP 346 CO 0.10 0.36 1.47 -2.30 -0.51 0.00 0.00 176.95 176.07 1nis n PRO 347 N 2.86 1.89 0.14 4.98 -0.02 -1.26 -4.41 135.00 139.17 1nis n PRO 347 Ca -0.18 0.68 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1nis n PRO 347 Cb 0.53 -2.39 0.09 0.00 -0.02 0.00 0.00 33.50 31.72 1nis n PRO 347 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1nis h LEU 348 N 5.13 0.00 -9.43 2.45 -0.00 -1.96 -3.43 115.31 108.07 1nis h LEU 348 Ca -0.45 -0.03 -0.61 0.00 -0.00 0.00 0.00 57.88 56.79 1nis h LEU 348 Cb 1.28 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.85 1nis h LEU 348 CO 0.83 0.01 -0.35 1.51 -0.00 0.00 0.00 178.44 180.44 1nis s ASP 349 N -5.46 6.46 -0.33 -0.43 -4.77 -1.26 -0.97 116.67 109.92 1nis s ASP 349 Ca 0.03 0.54 -0.16 0.00 -3.30 0.00 0.00 52.55 49.66 1nis s ASP 349 Cb 0.09 -2.16 -0.01 0.00 -1.09 0.00 0.00 42.92 39.74 1nis s ASP 349 CO 0.73 0.21 0.42 -0.63 0.70 0.00 0.00 175.17 176.60 1nis s ILE 350 N -0.09 5.11 -0.08 2.11 1.01 -0.46 -3.88 121.20 124.92 1nis s ILE 350 Ca 0.16 0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.85 1nis s ILE 350 Cb -0.13 -3.85 -0.25 0.00 0.01 0.00 0.00 42.46 38.24 1nis s ILE 350 CO 0.05 -0.08 0.94 0.03 0.00 0.00 0.00 174.94 175.88 1nis h ARG 351 N 8.38 0.10 -4.52 2.79 2.47 -1.26 -3.40 114.38 118.94 1nis h ARG 351 Ca -0.29 -0.13 -0.40 0.00 -1.26 0.00 0.00 59.98 57.89 1nis h ARG 351 Cb 1.14 0.04 -0.30 0.00 -1.65 0.00 0.00 29.97 29.20 1nis h ARG 351 CO 0.71 0.94 -0.78 0.08 0.56 0.00 0.00 179.97 181.49 1nis s VAL 352 N -2.81 0.69 -0.18 2.04 1.01 -1.25 -0.73 120.40 119.16 1nis s VAL 352 Ca -0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1nis s VAL 352 Cb -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1nis s VAL 352 CO 0.72 0.22 -0.07 -0.83 0.00 0.00 0.00 175.10 175.14 1nis s GLY 353 N 0.14 1.61 -0.17 4.51 0.00 0.02 -1.73 107.32 111.70 1nis s GLY 353 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1nis s GLY 353 CO 0.00 0.16 -0.14 1.08 0.00 0.00 0.00 173.10 174.20 1nis s LEU 354 N 0.95 1.96 0.27 0.66 1.02 -0.54 -1.14 118.68 121.86 1nis s LEU 354 Ca -0.01 -0.65 0.09 0.00 0.02 0.00 0.00 54.13 53.59 1nis s LEU 354 Cb -0.15 -1.25 -0.04 0.00 0.02 0.00 0.00 46.19 44.77 1nis s LEU 354 CO 0.00 -0.08 0.01 0.27 0.02 0.00 0.00 176.35 176.58 1nis s ILE 355 N 1.42 3.50 0.00 -0.59 -4.36 -0.56 -1.49 121.20 119.13 1nis s ILE 355 Ca 0.03 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1nis s ILE 355 Cb -0.14 -2.88 0.00 0.00 1.25 0.00 0.00 42.46 40.69 1nis s ILE 355 CO -0.10 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.32 1nis n GLY 356 N -0.92 0.43 0.57 6.27 0.00 -1.19 -1.13 105.19 109.22 1nis n GLY 356 Ca -0.06 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.23 1nis n GLY 356 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nis n SER 357 N 0.00 -3.35 0.27 1.61 3.41 -1.23 -3.36 113.62 110.96 1nis n SER 357 Ca 0.00 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 1nis n SER 357 Cb 0.00 -1.87 0.69 0.00 -0.26 0.00 0.00 64.21 62.77 1nis n SER 357 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nis h THR 359 N 0.00 1.09 -0.28 0.00 2.02 -1.88 -3.37 112.91 110.49 1nis h THR 359 Ca -0.00 -0.18 -0.27 0.00 0.77 0.00 0.00 66.41 66.73 1nis h THR 359 Cb 0.00 0.61 -0.20 0.00 -1.74 0.00 0.00 68.15 66.82 1nis h THR 359 CO 0.00 0.09 -0.55 0.59 0.37 0.00 0.00 175.52 176.02 1nis n ASN 360 N -4.48 -1.47 -1.27 4.18 5.03 -0.20 -4.54 115.26 112.52 1nis n ASN 360 Ca 0.02 -2.99 -0.02 0.00 0.87 0.00 0.00 54.58 52.46 1nis n ASN 360 Cb 0.07 1.04 0.12 0.00 -1.02 0.00 0.00 39.78 39.99 1nis n ASN 360 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1nis n SER 361 N -0.12 2.31 -4.49 6.41 3.41 -0.90 -3.19 113.62 117.04 1nis n SER 361 Ca 0.04 -3.37 -0.29 0.00 -0.26 0.00 0.00 58.87 54.99 1nis n SER 361 Cb 0.78 -0.44 0.14 0.00 -0.26 0.00 0.00 64.21 64.42 1nis n SER 361 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nis s SER 362 N -3.14 3.81 0.23 4.04 1.04 -1.26 -3.70 113.70 114.71 1nis s SER 362 Ca 0.39 0.43 -0.05 0.00 0.48 0.00 0.00 55.95 57.20 1nis s SER 362 Cb 0.38 -0.69 0.23 0.00 0.10 0.00 0.00 66.02 66.04 1nis s SER 362 CO -0.06 -2.31 1.73 0.22 0.98 0.00 0.00 173.24 173.80 1nis h TYR 363 N -1.29 1.00 -0.26 5.02 3.20 -1.95 -1.15 116.97 121.54 1nis h TYR 363 Ca -0.45 -0.14 -0.14 0.00 3.14 0.00 0.00 58.73 61.15 1nis h TYR 363 Cb 1.28 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1nis h TYR 363 CO -0.47 0.88 -0.41 1.49 -1.64 0.00 0.00 178.16 178.01 1nis h GLU 364 N 0.88 0.63 -0.39 1.82 4.81 -1.74 -0.71 114.58 119.89 1nis h GLU 364 Ca 0.17 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1nis h GLU 364 Cb 0.44 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1nis h GLU 364 CO 0.02 0.93 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.78 1nis h ASP 365 N 0.52 0.69 -0.40 1.04 3.32 -1.76 -0.48 116.42 119.34 1nis h ASP 365 Ca 0.04 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 1nis h ASP 365 Cb 0.93 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1nis h ASP 365 CO 0.08 0.83 -0.10 0.24 -1.72 0.00 0.00 179.24 178.57 1nis h MET 366 N 0.52 0.85 -0.58 3.56 2.86 -1.19 -1.67 114.93 119.28 1nis h MET 366 Ca 0.11 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1nis h MET 366 Cb 0.48 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1nis h MET 366 CO 0.02 0.91 0.02 0.78 1.06 0.00 0.00 176.91 179.71 1nis h GLY 367 N 0.97 1.06 0.86 8.32 0.00 -0.80 -1.10 103.07 112.39 1nis h GLY 367 Ca 0.13 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1nis h GLY 367 CO 0.04 0.68 -0.33 3.21 0.00 0.00 0.00 176.54 180.14 1nis h ARG 368 N 0.91 0.53 -0.50 4.80 3.08 -0.83 -1.28 114.38 121.08 1nis h ARG 368 Ca 0.17 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 59.91 1nis h ARG 368 Cb 0.50 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1nis h ARG 368 CO 0.02 0.94 0.29 0.77 -1.07 0.00 0.00 179.97 180.93 1nis h SER 369 N 0.17 0.47 -0.37 7.04 0.02 -1.27 -2.37 113.55 117.24 1nis h SER 369 Ca 0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1nis h SER 369 Cb 0.92 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1nis h SER 369 CO 0.07 0.33 0.19 0.00 -1.14 0.00 0.00 176.83 176.29 1nis h ALA 370 N 1.23 1.58 -0.27 3.77 0.00 -1.14 -0.89 119.26 123.53 1nis h ALA 370 Ca 0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1nis h ALA 370 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nis h ALA 370 CO -0.10 0.34 -0.18 0.00 0.00 0.00 0.00 179.25 179.31 1nis h ALA 371 N 1.65 1.17 -0.03 0.00 0.00 -0.73 0.21 119.26 121.54 1nis h ALA 371 Ca 0.14 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1nis h ALA 371 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nis h ALA 371 CO -0.02 0.53 -0.24 0.28 0.00 0.00 0.00 179.25 179.80 1nis h VAL 372 N 0.45 1.49 -0.94 0.00 2.07 -1.04 -3.30 116.25 114.97 1nis h VAL 372 Ca 0.07 -1.79 0.04 0.00 0.82 0.00 0.00 66.70 65.85 1nis h VAL 372 Cb 0.58 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.84 1nis h VAL 372 CO 0.04 0.50 0.61 0.00 0.02 0.00 0.00 177.57 178.73 1nis h ALA 373 N 0.34 1.25 0.00 1.67 0.00 -1.03 -2.20 119.26 119.30 1nis h ALA 373 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nis h ALA 373 Cb 0.94 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nis h ALA 373 CO 0.05 0.45 -0.09 1.57 0.00 0.00 0.00 179.25 181.24 1nis h LYS 374 N 1.16 0.00 -0.07 0.00 5.09 -0.66 -2.15 116.57 119.93 1nis h LYS 374 Ca 0.38 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.93 1nis h LYS 374 Cb 0.05 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.39 1nis h LYS 374 CO -0.13 0.09 -0.69 1.96 -2.09 0.00 0.00 179.45 178.58 1nis h GLN 375 N 0.00 0.59 -0.63 0.07 4.20 -1.49 -1.58 115.11 116.28 1nis h GLN 375 Ca -0.00 -0.54 -0.04 0.00 0.06 0.00 0.00 58.65 58.13 1nis h GLN 375 Cb 0.27 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1nis h GLN 375 CO 0.01 1.16 0.25 0.00 -0.67 0.00 0.00 178.83 179.59 1nis h ALA 376 N 0.44 0.81 -0.65 3.87 0.00 -1.31 -2.69 119.26 119.73 1nis h ALA 376 Ca -0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1nis h ALA 376 Cb 1.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1nis h ALA 376 CO 0.14 0.43 0.43 -0.07 0.00 0.00 0.00 179.25 180.18 1nis h LEU 377 N 0.88 0.74 -0.90 0.00 3.38 -1.39 0.72 115.31 118.73 1nis h LEU 377 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1nis h LEU 377 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nis h LEU 377 CO -0.02 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1nis n ALA 378 N -2.28 1.17 -0.79 1.53 0.00 -0.60 -1.18 120.51 118.37 1nis n ALA 378 Ca 0.05 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.69 1nis n ALA 378 Cb 0.03 -1.25 0.22 0.00 0.00 0.00 0.00 19.45 18.45 1nis n ALA 378 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nis n HIS 379 N -2.03 0.76 -1.93 0.00 8.25 -0.46 -4.97 115.22 114.84 1nis n HIS 379 Ca -0.00 -0.79 -0.08 0.00 -0.26 0.00 0.00 57.72 56.59 1nis n HIS 379 Cb 0.07 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 30.93 1nis n HIS 379 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nis n GLY 380 N -0.33 0.27 3.80 -1.41 0.00 -0.33 -0.57 105.19 106.63 1nis n GLY 380 Ca 0.18 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1nis n GLY 380 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nis s LEU 381 N -2.30 3.48 0.23 0.99 1.43 0.12 -4.58 118.68 118.05 1nis s LEU 381 Ca 0.00 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1nis s LEU 381 Cb 0.00 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1nis s LEU 381 CO 0.00 -0.31 0.24 -0.54 0.23 0.00 0.00 176.35 175.97 1nis s LYS 382 N -3.93 1.39 0.33 1.70 1.02 -1.26 -3.90 119.74 115.09 1nis s LYS 382 Ca 0.39 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.48 1nis s LYS 382 Cb -0.05 0.33 -0.11 0.00 -0.52 0.00 0.00 37.83 37.48 1nis s LYS 382 CO 0.25 -0.50 1.46 0.00 -0.92 0.00 0.00 175.35 175.64 1nis h LYS 384 N 3.74 0.30 -7.23 0.00 3.11 -1.15 -3.46 116.57 111.89 1nis h LYS 384 Ca -0.49 -0.52 -0.48 0.00 -2.81 0.00 0.00 60.65 56.35 1nis h LYS 384 Cb 1.23 0.19 0.06 0.00 -1.00 0.00 0.00 32.23 32.71 1nis h LYS 384 CO 0.69 1.18 0.25 -1.12 -2.81 0.00 0.00 179.45 177.65 1nis s SER 385 N -7.08 5.57 0.65 4.20 0.01 -0.49 -4.95 113.70 111.61 1nis s SER 385 Ca -0.13 0.86 -0.17 0.00 1.31 0.00 0.00 55.95 57.83 1nis s SER 385 Cb 0.06 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.49 1nis s SER 385 CO 0.85 -1.13 1.17 -1.58 0.41 0.00 0.00 173.24 172.95 1nis s GLN 386 N -5.10 2.71 -0.07 12.44 0.74 0.09 -4.86 119.66 125.61 1nis s GLN 386 Ca 0.55 1.65 -0.03 0.00 0.05 0.00 0.00 55.36 57.58 1nis s GLN 386 Cb -0.11 -1.92 0.04 0.00 1.10 0.00 0.00 33.01 32.13 1nis s GLN 386 CO 0.47 -1.37 0.12 0.12 -0.55 0.00 0.00 175.29 174.08 1nis s PHE 387 N -1.96 -0.10 0.17 1.67 5.36 -1.26 -0.80 117.98 121.06 1nis s PHE 387 Ca 0.73 0.47 0.10 0.00 -0.96 0.00 0.00 56.93 57.27 1nis s PHE 387 Cb -0.26 -0.29 -0.04 0.00 -0.34 0.00 0.00 43.02 42.08 1nis s PHE 387 CO 0.39 -0.22 -0.23 0.95 -1.46 0.00 0.00 175.22 174.64 1nis s THR 388 N 2.02 2.15 -0.09 0.12 -4.23 -0.29 -0.95 115.64 114.36 1nis s THR 388 Ca 0.01 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1nis s THR 388 Cb -0.12 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.77 1nis s THR 388 CO -0.05 -0.12 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.27 1nis s ILE 389 N -1.58 0.55 -0.41 2.99 1.01 -0.27 -1.49 121.20 121.99 1nis s ILE 389 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.72 1nis s ILE 389 Cb -0.08 -0.68 0.08 0.00 0.01 0.00 0.00 42.46 41.78 1nis s ILE 389 CO 0.08 0.27 0.25 -0.89 0.00 0.00 0.00 174.94 174.65 1nis s THR 390 N 1.90 4.16 0.30 2.92 2.01 -0.28 -0.72 115.64 125.94 1nis s THR 390 Ca 0.05 -1.41 -0.30 0.00 0.31 0.00 0.00 61.69 60.34 1nis s THR 390 Cb -0.12 -3.55 -0.12 0.00 0.01 0.00 0.00 72.50 68.72 1nis s THR 390 CO -0.06 -0.50 1.59 -2.65 -0.69 0.00 0.00 174.62 172.31 1nis n PRO 391 N 4.90 2.69 0.26 4.92 -0.02 -1.26 -3.57 135.00 142.91 1nis n PRO 391 Ca -0.10 0.96 0.15 0.00 -2.02 0.00 0.00 63.50 62.49 1nis n PRO 391 Cb 0.43 -2.73 0.53 0.00 -0.02 0.00 0.00 33.50 31.71 1nis n PRO 391 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1nis h GLY 392 N 4.69 0.00 -2.10 -1.23 0.00 -1.87 -3.38 103.07 99.17 1nis h GLY 392 Ca -0.47 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.89 1nis h GLY 392 CO 0.78 0.00 0.13 -1.35 0.00 0.00 0.00 176.54 176.11 1nis s SER 393 N -5.87 -0.22 0.14 0.19 1.04 -1.26 -0.68 113.70 107.03 1nis s SER 393 Ca 0.03 -0.68 -0.13 0.00 0.48 0.00 0.00 55.95 55.65 1nis s SER 393 Cb 0.08 0.69 -0.00 0.00 0.10 0.00 0.00 66.02 66.88 1nis s SER 393 CO 0.58 -1.28 1.57 -0.08 0.98 0.00 0.00 173.24 175.02 1nis h GLU 394 N 2.07 0.81 -0.57 4.02 4.57 -1.46 -1.07 114.58 122.96 1nis h GLU 394 Ca -0.21 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 57.74 1nis h GLU 394 Cb 1.25 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.73 1nis h GLU 394 CO 0.27 0.89 0.31 0.37 -1.18 0.00 0.00 179.01 179.66 1nis h GLN 395 N 0.65 0.57 -0.44 1.92 4.15 -1.76 0.83 115.11 121.03 1nis h GLN 395 Ca 0.12 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.45 1nis h GLN 395 Cb 0.54 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1nis h GLN 395 CO 0.03 0.38 0.04 0.82 -1.93 0.00 0.00 178.83 178.17 1nis h ILE 396 N 0.59 1.25 -0.18 2.39 2.04 -1.77 -0.72 117.51 121.11 1nis h ILE 396 Ca 0.25 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1nis h ILE 396 Cb 0.13 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1nis h ILE 396 CO -0.15 0.33 0.03 -0.09 0.00 0.00 0.00 178.15 178.27 1nis h ARG 397 N 0.60 0.10 -0.78 2.37 2.43 -0.88 0.34 114.38 118.56 1nis h ARG 397 Ca 0.13 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1nis h ARG 397 Cb 0.43 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1nis h ARG 397 CO 0.01 0.07 0.29 0.00 -1.51 0.00 0.00 179.97 178.83 1nis h ALA 398 N 1.13 1.04 -0.15 2.80 0.00 -0.73 -1.75 119.26 121.61 1nis h ALA 398 Ca 0.08 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1nis h ALA 398 Cb 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nis h ALA 398 CO -0.11 0.66 -0.75 1.15 0.00 0.00 0.00 179.25 180.21 1nis h THR 399 N 1.14 1.29 0.00 0.00 2.02 -0.86 -0.84 112.91 115.65 1nis h THR 399 Ca 0.26 -1.95 -0.04 0.00 0.77 0.00 0.00 66.41 65.45 1nis h THR 399 Cb 0.25 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1nis h THR 399 CO -0.02 0.62 -0.17 0.16 0.37 0.00 0.00 175.52 176.48 1nis h ILE 400 N 0.49 0.36 -0.02 3.11 3.07 -0.84 -0.15 117.51 123.52 1nis h ILE 400 Ca -0.05 -1.16 -0.01 0.00 1.55 0.00 0.00 64.86 65.19 1nis h ILE 400 Cb 1.38 1.88 -0.00 0.00 -0.27 0.00 0.00 36.82 39.81 1nis h ILE 400 CO 0.15 0.17 -0.01 -0.08 -1.05 0.00 0.00 178.15 177.33 1nis h GLU 401 N 0.00 0.05 -0.39 0.16 4.57 -1.23 0.18 114.58 117.92 1nis h GLU 401 Ca -0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1nis h GLU 401 Cb 0.87 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1nis h GLU 401 CO 0.02 0.44 0.22 -0.09 -1.18 0.00 0.00 179.01 178.43 1nis h ARG 402 N -0.35 0.54 -0.31 1.92 1.12 -0.65 -2.01 114.38 114.63 1nis h ARG 402 Ca 0.01 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1nis h ARG 402 Cb 0.43 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.28 1nis h ARG 402 CO 0.00 0.43 0.00 -0.25 -3.11 0.00 0.00 179.97 177.04 1nis n ASP 403 N -4.75 1.44 0.00 -3.80 8.00 -0.11 -4.90 116.55 112.42 1nis n ASP 403 Ca 0.00 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1nis n ASP 403 Cb 0.07 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1nis n ASP 403 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nis n GLY 404 N 0.81 0.65 0.09 0.44 0.00 -0.76 -4.91 105.19 101.51 1nis n GLY 404 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1nis n GLY 404 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nis h TYR 405 N 0.00 0.21 -0.59 1.61 0.05 -1.21 -3.20 116.97 113.83 1nis h TYR 405 Ca 0.00 -0.15 -0.10 0.00 0.05 0.00 0.00 58.73 58.53 1nis h TYR 405 Cb 0.00 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1nis h TYR 405 CO 0.00 1.08 -0.02 0.00 -1.05 0.00 0.00 178.16 178.17 1nis h ALA 406 N 0.87 0.80 -0.84 3.88 0.00 -1.72 -2.14 119.26 120.11 1nis h ALA 406 Ca -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1nis h ALA 406 Cb 1.78 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1nis h ALA 406 CO 0.15 0.66 0.41 0.37 0.00 0.00 0.00 179.25 180.85 1nis h GLN 407 N 0.96 1.21 -0.44 0.00 5.75 -1.84 0.15 115.11 120.90 1nis h GLN 407 Ca 0.17 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1nis h GLN 407 Cb 0.59 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1nis h GLN 407 CO 0.03 0.92 0.29 0.28 -2.65 0.00 0.00 178.83 177.71 1nis h VAL 408 N 1.19 1.11 -0.32 2.39 2.07 -1.49 0.21 116.25 121.42 1nis h VAL 408 Ca 0.29 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 1nis h VAL 408 Cb 0.11 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1nis h VAL 408 CO -0.04 0.11 -0.22 -0.07 0.02 0.00 0.00 177.57 177.38 1nis h LEU 409 N 0.59 0.62 -0.23 2.57 3.38 -1.03 -1.81 115.31 119.39 1nis h LEU 409 Ca 0.16 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1nis h LEU 409 Cb -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1nis h LEU 409 CO -0.03 0.83 0.03 0.03 0.09 0.00 0.00 178.44 179.38 1nis h ARG 410 N 0.54 0.39 -0.41 1.13 3.08 -0.32 -1.73 114.38 117.06 1nis h ARG 410 Ca 0.08 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1nis h ARG 410 Cb 0.67 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1nis h ARG 410 CO 0.05 0.54 0.27 -0.44 -1.07 0.00 0.00 179.97 179.31 1nis h ASP 411 N 0.19 0.48 0.11 7.04 3.32 -0.02 -0.55 116.42 126.99 1nis h ASP 411 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1nis h ASP 411 Cb 0.34 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1nis h ASP 411 CO 0.01 0.35 0.00 1.33 -1.72 0.00 0.00 179.24 179.20 1nis n VAL 412 N -4.47 0.08 0.00 -1.35 0.24 -0.73 -4.85 118.33 107.24 1nis n VAL 412 Ca 0.03 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1nis n VAL 412 Cb 0.06 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 1nis n VAL 412 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nis n GLY 413 N 0.52 1.44 3.87 7.63 0.00 -0.22 -0.70 105.19 117.73 1nis n GLY 413 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1nis n GLY 413 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nis s GLY 414 N -2.00 2.11 -0.14 -0.02 0.00 -0.65 -4.33 107.32 102.28 1nis s GLY 414 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 1nis s GLY 414 CO 0.00 -0.06 -0.12 -1.50 0.00 0.00 0.00 173.10 171.42 1nis s ILE 415 N -2.09 3.04 -0.21 0.90 1.10 -0.13 -4.42 121.20 119.40 1nis s ILE 415 Ca 0.50 -0.65 -0.20 0.00 -0.51 0.00 0.00 60.65 59.78 1nis s ILE 415 Cb -0.11 -2.29 -0.03 0.00 0.15 0.00 0.00 42.46 40.19 1nis s ILE 415 CO 0.25 0.51 0.61 -0.69 -2.11 0.00 0.00 174.94 173.51 1nis s VAL 416 N 0.53 5.03 0.47 4.00 1.01 -1.26 -1.11 120.40 129.07 1nis s VAL 416 Ca -0.08 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.05 1nis s VAL 416 Cb -0.16 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1nis s VAL 416 CO 0.04 0.11 0.68 -0.76 0.00 0.00 0.00 175.10 175.17 1nis s LEU 417 N 1.95 3.54 1.00 3.92 1.43 0.11 -0.78 118.68 129.84 1nis s LEU 417 Ca 0.28 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 1nis s LEU 417 Cb -0.16 -2.98 0.19 0.00 0.03 0.00 0.00 46.19 43.28 1nis s LEU 417 CO 0.10 -0.84 1.10 0.00 0.23 0.00 0.00 176.35 176.94 1nis s ALA 418 N -2.58 0.80 -1.30 4.21 0.00 -1.26 -4.40 121.76 117.23 1nis s ALA 418 Ca 0.52 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 1nis s ALA 418 Cb -0.10 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.73 1nis s ALA 418 CO 0.37 -3.10 1.75 0.09 0.00 0.00 0.00 175.76 174.87 1nis n ASN 419 N -4.44 4.91 -3.73 0.00 3.02 -1.26 -4.62 115.26 109.15 1nis n ASN 419 Ca 0.08 -2.92 -0.09 0.00 -0.03 0.00 0.00 54.58 51.62 1nis n ASN 419 Cb 0.53 -1.75 -0.03 0.00 -0.61 0.00 0.00 39.78 37.93 1nis n ASN 419 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nis s ALA 420 N 4.25 -1.17 0.15 5.41 0.00 -1.26 -3.56 121.76 125.58 1nis s ALA 420 Ca 0.54 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 1nis s ALA 420 Cb 0.04 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.09 1nis s ALA 420 CO 0.08 -0.90 1.69 0.00 0.00 0.00 0.00 175.76 176.64 1nis n GLY 422 N -1.26 3.38 0.31 0.00 0.00 -1.26 -1.82 105.19 104.55 1nis n GLY 422 Ca 0.01 0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.31 1nis n GLY 422 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nis h PRO 423 N 0.00 0.00 0.00 1.61 0.11 -1.88 -0.97 132.00 130.87 1nis h PRO 423 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nis h PRO 423 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1nis h PRO 423 CO 0.00 0.01 -0.01 0.00 -0.21 0.00 0.00 178.00 177.79 1nis n ILE 425 N -4.22 2.23 -1.07 0.00 -6.64 -0.99 -4.78 119.36 103.89 1nis n ILE 425 Ca -0.03 -3.06 -0.02 0.00 -1.77 0.00 0.00 62.75 57.86 1nis n ILE 425 Cb 0.10 -0.25 -0.01 0.00 -1.44 0.00 0.00 39.64 38.04 1nis n ILE 425 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1nis n GLY 426 N -1.15 0.57 3.20 3.28 0.00 -0.59 -2.94 105.19 107.57 1nis n GLY 426 Ca 0.21 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 1nis n GLY 426 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nis n GLN 427 N -2.84 3.70 -3.62 1.61 1.13 -0.40 -4.55 117.38 112.41 1nis n GLN 427 Ca -0.02 -4.08 -0.14 0.00 -1.94 0.00 0.00 57.00 50.82 1nis n GLN 427 Cb 0.09 -2.78 -0.13 0.00 0.11 0.00 0.00 30.24 27.53 1nis n GLN 427 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1nis s TRP 428 N -0.34 -0.40 -1.23 1.08 -0.00 -1.26 -0.76 118.94 116.04 1nis s TRP 428 Ca 0.37 0.82 -0.15 0.00 -0.00 0.00 0.00 56.10 57.13 1nis s TRP 428 Cb -0.00 -0.11 0.13 0.00 -0.00 0.00 0.00 33.47 33.50 1nis s TRP 428 CO 0.00 -0.40 1.52 0.34 -0.00 0.00 0.00 176.95 178.41 1nis s ASP 429 N 2.40 6.97 -0.29 5.86 2.15 0.03 -4.92 116.67 128.88 1nis s ASP 429 Ca 0.03 -2.76 -0.25 0.00 0.43 0.00 0.00 52.55 49.99 1nis s ASP 429 Cb -0.13 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1nis s ASP 429 CO -0.09 -0.91 0.87 -0.60 -0.17 0.00 0.00 175.17 174.28 1nis s ARG 430 N 2.53 4.05 0.00 4.34 6.06 -1.26 -4.86 118.95 129.80 1nis s ARG 430 Ca 0.46 0.81 0.00 0.00 -2.50 0.00 0.00 55.73 54.50 1nis s ARG 430 Cb -0.01 -3.71 0.00 0.00 0.06 0.00 0.00 34.95 31.30 1nis s ARG 430 CO 0.02 -0.69 0.06 1.63 -2.50 0.00 0.00 175.30 173.82 1nis n LYS 431 N 6.31 5.38 0.11 5.12 4.76 -1.26 -4.71 118.16 133.87 1nis n LYS 431 Ca 0.06 -0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1nis n LYS 431 Cb 0.48 -0.53 0.46 0.00 -1.84 0.00 0.00 35.03 33.60 1nis n LYS 431 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1nis n ASP 432 N -0.79 0.57 -4.22 4.39 5.75 -1.26 -4.75 116.55 116.24 1nis n ASP 432 Ca 0.00 0.63 -0.16 0.00 -0.01 0.00 0.00 54.79 55.25 1nis n ASP 432 Cb 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 41.12 39.23 1nis n ASP 432 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1nis s ILE 433 N -3.24 1.15 0.64 2.12 -5.25 -1.26 -5.15 121.20 110.19 1nis s ILE 433 Ca 0.05 -1.75 -0.03 0.00 -0.99 0.00 0.00 60.65 57.94 1nis s ILE 433 Cb 0.10 -1.52 0.06 0.00 2.95 0.00 0.00 42.46 44.05 1nis s ILE 433 CO 0.40 -0.53 0.90 -1.59 -1.79 0.00 0.00 174.94 172.33 1nis s LYS 434 N -2.91 2.29 0.42 0.37 -2.85 -1.26 -4.97 119.74 110.82 1nis s LYS 434 Ca 0.09 -0.58 -0.24 0.00 -1.00 0.00 0.00 55.97 54.24 1nis s LYS 434 Cb -0.03 -2.33 -0.08 0.00 -2.06 0.00 0.00 37.83 33.33 1nis s LYS 434 CO 0.01 -1.03 1.10 0.21 0.10 0.00 0.00 175.35 175.75 1nis s LYS 435 N -5.02 4.03 0.00 1.78 2.47 -1.26 -1.94 119.74 119.80 1nis s LYS 435 Ca 0.60 1.64 0.00 0.00 -1.56 0.00 0.00 55.97 56.64 1nis s LYS 435 Cb -0.10 -2.52 0.00 0.00 -1.46 0.00 0.00 37.83 33.75 1nis s LYS 435 CO 0.42 -0.29 0.00 0.41 0.16 0.00 0.00 175.35 176.05 1nis n GLY 436 N 0.42 1.21 3.71 5.54 0.00 -1.26 -5.00 105.19 109.81 1nis n GLY 436 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1nis n GLY 436 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nis s GLU 437 N -0.08 4.47 0.08 1.61 2.12 -0.82 -4.82 118.70 121.27 1nis s GLU 437 Ca 0.00 1.11 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 1nis s GLU 437 Cb 0.00 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1nis s GLU 437 CO 0.00 -0.02 1.05 0.21 -0.54 0.00 0.00 175.26 175.96 1nis s LYS 438 N 1.02 4.57 0.12 4.30 2.20 -1.26 -4.40 119.74 126.29 1nis s LYS 438 Ca 0.43 1.57 -0.25 0.00 -0.36 0.00 0.00 55.97 57.37 1nis s LYS 438 Cb -0.19 -3.38 0.07 0.00 -1.51 0.00 0.00 37.83 32.83 1nis s LYS 438 CO 0.22 -0.02 0.80 0.54 -0.36 0.00 0.00 175.35 176.53 1nis s ASN 439 N 0.57 -0.37 -0.09 1.43 4.22 -0.99 -5.00 114.94 114.71 1nis s ASN 439 Ca 0.52 -0.18 0.04 0.00 -2.14 0.00 0.00 52.86 51.10 1nis s ASN 439 Cb -0.25 0.52 -0.01 0.00 1.28 0.00 0.00 41.25 42.79 1nis s ASN 439 CO 0.30 -0.89 -0.22 -0.89 -2.04 0.00 0.00 177.10 173.37 1nis s THR 440 N -3.45 2.31 0.02 0.54 2.01 -1.25 -0.16 115.64 115.66 1nis s THR 440 Ca 0.06 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1nis s THR 440 Cb -0.02 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1nis s THR 440 CO -0.05 0.56 -0.18 0.27 -0.69 0.00 0.00 174.62 174.52 1nis s ILE 441 N 0.13 1.47 -0.03 1.82 -4.36 -0.76 -0.76 121.20 118.71 1nis s ILE 441 Ca -0.11 -1.01 0.07 0.00 -0.26 0.00 0.00 60.65 59.35 1nis s ILE 441 Cb -0.16 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.27 1nis s ILE 441 CO 0.06 0.24 -0.25 0.68 0.24 0.00 0.00 174.94 175.91 1nis s VAL 442 N -0.67 2.02 0.20 8.37 -7.23 -0.70 -1.97 120.40 120.41 1nis s VAL 442 Ca 0.06 -1.08 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 1nis s VAL 442 Cb -0.08 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1nis s VAL 442 CO 0.01 0.57 -0.15 0.42 -0.31 0.00 0.00 175.10 175.64 1nis s THR 443 N -0.44 1.72 -0.63 5.32 -4.23 0.02 -1.47 115.64 115.94 1nis s THR 443 Ca 0.05 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1nis s THR 443 Cb -0.11 -2.00 0.42 0.00 1.34 0.00 0.00 72.50 72.15 1nis s THR 443 CO 0.01 -0.56 2.04 -1.54 -0.54 0.00 0.00 174.62 174.02 1nis n SER 444 N -0.27 7.57 -0.42 3.99 3.41 -0.55 -1.01 113.62 126.34 1nis n SER 444 Ca -0.09 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.82 1nis n SER 444 Cb 0.60 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1nis n SER 444 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1nis n TYR 445 N -0.76 0.00 0.04 7.33 4.01 -1.26 -4.35 117.16 122.17 1nis n TYR 445 Ca 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 1nis n TYR 445 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1nis n TYR 445 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1nis n ASN 446 N 0.00 -0.05 -4.85 7.72 0.23 -1.26 -4.73 115.26 112.32 1nis n ASN 446 Ca 0.00 0.14 -0.35 0.00 -0.53 0.00 0.00 54.58 53.84 1nis n ASN 446 Cb 0.00 0.12 -0.06 0.00 -2.08 0.00 0.00 39.78 37.76 1nis n ASN 446 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1nis s ARG 447 N -2.00 3.94 -0.14 -3.83 0.52 -1.26 -4.75 118.95 111.43 1nis s ARG 447 Ca 0.00 0.44 0.24 0.00 -0.52 0.00 0.00 55.73 55.88 1nis s ARG 447 Cb 0.00 -2.89 0.46 0.00 0.52 0.00 0.00 34.95 33.04 1nis s ARG 447 CO 0.00 0.46 1.14 0.27 0.02 0.00 0.00 175.30 177.19 1nis n ASN 448 N 0.67 1.22 -4.79 0.23 6.94 -1.26 -5.00 115.26 113.26 1nis n ASN 448 Ca -0.05 -2.01 -0.34 0.00 -0.02 0.00 0.00 54.58 52.16 1nis n ASN 448 Cb 0.52 -0.37 -0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1nis n ASN 448 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1nis s PHE 449 N -1.99 2.88 -0.40 -2.53 0.08 -1.26 -4.23 117.98 110.53 1nis s PHE 449 Ca 0.29 1.54 -0.44 0.00 0.12 0.00 0.00 56.93 58.45 1nis s PHE 449 Cb 0.35 -3.11 -0.18 0.00 -0.57 0.00 0.00 43.02 39.51 1nis s PHE 449 CO -0.10 -1.19 1.64 2.41 -0.10 0.00 0.00 175.22 177.88 1nis n THR 450 N -1.58 0.12 -1.16 0.64 -1.04 -1.26 -2.04 114.28 107.95 1nis n THR 450 Ca 0.10 -0.02 -0.06 0.00 -2.04 0.00 0.00 64.05 62.03 1nis n THR 450 Cb 0.52 -0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 68.24 1nis n THR 450 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nis n GLY 451 N 4.01 0.77 0.09 3.41 0.00 -1.24 -4.90 105.19 107.33 1nis n GLY 451 Ca 0.29 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1nis n GLY 451 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nis h ARG 452 N 0.23 0.08 0.00 1.61 2.43 -1.72 0.10 114.38 117.11 1nis h ARG 452 Ca -0.11 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 58.78 1nis h ARG 452 Cb 0.55 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1nis h ARG 452 CO 0.17 0.84 -1.06 -0.91 -1.51 0.00 0.00 179.97 177.51 1nis h ASN 453 N 0.02 0.00 0.00 -3.80 4.21 -1.81 -1.56 115.58 112.64 1nis h ASN 453 Ca -0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.31 1nis h ASN 453 Cb 1.94 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.14 1nis h ASN 453 CO 0.12 0.55 -0.17 -0.90 -1.29 0.00 0.00 177.43 175.74 1nis n ASP 454 N -3.02 0.00 -0.23 5.81 5.68 -1.25 -3.89 116.55 119.64 1nis n ASP 454 Ca -0.05 -1.34 -0.03 0.00 -0.50 0.00 0.00 54.79 52.87 1nis n ASP 454 Cb 0.80 -0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.70 1nis n ASP 454 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nis n ALA 455 N 0.00 -0.04 -2.49 2.12 0.00 0.02 -4.94 120.51 115.19 1nis n ALA 455 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1nis n ALA 455 Cb 0.57 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 1nis n ALA 455 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1nis s ASN 456 N -1.82 6.10 0.63 0.00 2.47 -1.26 -4.83 114.94 116.23 1nis s ASN 456 Ca 0.00 -0.72 0.32 0.00 0.42 0.00 0.00 52.86 52.88 1nis s ASN 456 Cb 0.00 -2.16 1.78 0.00 -1.45 0.00 0.00 41.25 39.42 1nis s ASN 456 CO 0.00 -0.38 2.06 1.55 -3.72 0.00 0.00 177.10 176.61 1nis h PRO 457 N 8.59 0.00 -0.63 0.43 0.13 -1.90 -2.58 132.00 136.03 1nis h PRO 457 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1nis h PRO 457 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1nis h PRO 457 CO 0.70 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.86 1nis n GLU 458 N -3.32 2.72 -3.03 0.86 -0.58 -1.26 -4.63 120.64 111.40 1nis n GLU 458 Ca 0.00 -2.32 -0.40 0.00 -0.42 0.00 0.00 57.16 54.03 1nis n GLU 458 Cb 0.34 -1.58 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 1nis n GLU 458 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1nis s THR 459 N -1.35 4.82 -0.44 2.62 2.01 -0.97 -2.33 115.64 119.99 1nis s THR 459 Ca 0.43 1.54 -0.14 0.00 0.31 0.00 0.00 61.69 63.83 1nis s THR 459 Cb 0.24 -4.07 0.06 0.00 0.01 0.00 0.00 72.50 68.73 1nis s THR 459 CO 0.26 0.35 0.33 -1.00 -0.69 0.00 0.00 174.62 173.87 1nis s HIS 460 N 0.10 3.26 -0.17 4.92 3.76 0.77 -4.79 115.29 123.14 1nis s HIS 460 Ca 0.37 -0.96 -0.06 0.00 -0.15 0.00 0.00 55.06 54.26 1nis s HIS 460 Cb -0.20 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 1nis s HIS 460 CO 0.21 -0.74 0.04 0.00 -0.85 0.00 0.00 174.74 173.40 1nis s ALA 461 N 1.60 3.33 -0.11 -1.40 0.00 -1.24 -1.82 121.76 122.12 1nis s ALA 461 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1nis s ALA 461 Cb -0.22 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1nis s ALA 461 CO 0.07 0.22 -0.11 -0.06 0.00 0.00 0.00 175.76 175.88 1nis s PHE 462 N 0.26 2.84 -0.12 0.00 0.40 -0.83 -4.46 117.98 116.05 1nis s PHE 462 Ca 0.02 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1nis s PHE 462 Cb -0.13 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1nis s PHE 462 CO 0.01 -0.05 0.04 0.14 0.70 0.00 0.00 175.22 176.06 1nis s VAL 463 N 0.01 4.64 0.00 -0.44 -7.23 0.47 -0.80 120.40 117.06 1nis s VAL 463 Ca -0.03 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1nis s VAL 463 Cb -0.14 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1nis s VAL 463 CO 0.04 0.56 0.00 1.07 -0.31 0.00 0.00 175.10 176.46 1nis n THR 464 N 2.57 0.00 -2.38 5.32 5.66 -0.18 -0.58 114.28 124.70 1nis n THR 464 Ca -0.18 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 1nis n THR 464 Cb 0.53 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.30 1nis n THR 464 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1nis s SER 465 N 0.12 6.47 0.26 1.09 1.04 -1.26 -4.08 113.70 117.33 1nis s SER 465 Ca 0.00 1.38 -0.04 0.00 0.48 0.00 0.00 55.95 57.77 1nis s SER 465 Cb 0.00 -2.44 0.31 0.00 0.10 0.00 0.00 66.02 63.99 1nis s SER 465 CO 0.00 -0.62 1.88 1.55 0.98 0.00 0.00 173.24 177.02 1nis h PRO 466 N 0.60 1.12 -0.46 4.02 0.13 -1.90 -1.67 132.00 133.85 1nis h PRO 466 Ca -0.46 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 64.46 1nis h PRO 466 Cb 1.19 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 1nis h PRO 466 CO 0.62 0.83 -0.01 1.05 -0.23 0.00 0.00 178.00 180.27 1nis h GLU 467 N 1.12 0.76 -0.24 0.86 9.09 -1.88 -1.07 114.58 123.22 1nis h GLU 467 Ca 0.28 -0.20 -0.13 0.00 0.05 0.00 0.00 59.36 59.36 1nis h GLU 467 Cb 0.05 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1nis h GLU 467 CO -0.04 0.77 -0.34 0.82 0.05 0.00 0.00 179.01 180.27 1nis h ILE 468 N 0.71 1.32 -0.69 -1.06 1.08 -1.87 -2.03 117.51 114.97 1nis h ILE 468 Ca 0.14 -1.54 0.10 0.00 -0.39 0.00 0.00 64.86 63.17 1nis h ILE 468 Cb 0.45 1.74 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 1nis h ILE 468 CO 0.02 0.48 0.31 0.58 -0.69 0.00 0.00 178.15 178.86 1nis h VAL 469 N 0.36 0.80 -0.46 1.67 2.07 -0.99 -0.27 116.25 119.42 1nis h VAL 469 Ca 0.02 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1nis h VAL 469 Cb 0.93 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1nis h VAL 469 CO 0.08 0.10 0.22 0.74 0.02 0.00 0.00 177.57 178.73 1nis h THR 470 N 0.53 1.19 -0.49 2.57 2.02 -1.11 0.83 112.91 118.45 1nis h THR 470 Ca 0.35 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1nis h THR 470 Cb 0.41 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1nis h THR 470 CO -0.30 0.21 0.15 0.00 0.37 0.00 0.00 175.52 175.95 1nis h ALA 471 N 1.06 0.64 0.00 6.16 0.00 -0.64 -1.92 119.26 124.57 1nis h ALA 471 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nis h ALA 471 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nis h ALA 471 CO -0.02 0.30 -0.09 -0.07 0.00 0.00 0.00 179.25 179.37 1nis h LEU 472 N 0.66 0.00 -0.14 0.00 3.38 -0.89 -2.36 115.31 115.96 1nis h LEU 472 Ca 0.16 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 1nis h LEU 472 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nis h LEU 472 CO -0.00 0.09 -0.99 0.00 0.09 0.00 0.00 178.44 177.63 1nis h ALA 473 N 1.91 0.34 -0.33 1.53 0.00 -0.10 0.24 119.26 122.85 1nis h ALA 473 Ca -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1nis h ALA 473 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1nis h ALA 473 CO 0.01 0.85 0.06 0.82 0.00 0.00 0.00 179.25 180.99 1nis h ILE 474 N 0.19 1.23 -0.02 0.00 2.04 -1.27 -0.40 117.51 119.29 1nis h ILE 474 Ca -0.08 -0.81 -0.20 0.00 1.00 0.00 0.00 64.86 64.77 1nis h ILE 474 Cb 1.64 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1nis h ILE 474 CO 0.17 0.27 -0.83 0.00 0.00 0.00 0.00 178.15 177.75 1nis h ALA 475 N 0.90 0.53 0.00 1.87 0.00 -1.36 -3.23 119.26 117.97 1nis h ALA 475 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1nis h ALA 475 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nis h ALA 475 CO 0.01 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1nis n GLY 476 N 0.76 0.77 3.14 0.00 0.00 0.84 -4.88 105.19 105.82 1nis n GLY 476 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1nis n GLY 476 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nis s THR 477 N -3.06 0.05 0.41 2.61 -1.32 -1.24 -1.35 115.64 111.74 1nis s THR 477 Ca 0.00 -0.38 0.22 0.00 -1.21 0.00 0.00 61.69 60.32 1nis s THR 477 Cb 0.00 -0.44 0.24 0.00 -1.51 0.00 0.00 72.50 70.79 1nis s THR 477 CO 0.00 -0.21 2.02 -0.07 -2.21 0.00 0.00 174.62 174.15 1nis h LEU 478 N 4.74 0.00 -5.39 9.08 3.38 -1.39 -3.27 115.31 122.47 1nis h LEU 478 Ca -0.29 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.99 1nis h LEU 478 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1nis h LEU 478 CO 0.39 0.17 3.32 0.29 0.09 0.00 0.00 178.44 182.70 1nis n LYS 479 N -3.87 3.76 -3.68 1.13 5.02 -1.26 -3.80 118.16 115.46 1nis n LYS 479 Ca -0.02 -2.62 -0.09 0.00 -2.02 0.00 0.00 58.31 53.56 1nis n LYS 479 Cb 0.26 -2.85 -0.10 0.00 -0.02 0.00 0.00 35.03 32.33 1nis n LYS 479 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1nis s PHE 480 N 1.50 -0.76 -0.25 2.13 5.36 -1.24 -5.07 117.98 119.66 1nis s PHE 480 Ca 0.61 1.55 0.02 0.00 -0.96 0.00 0.00 56.93 58.15 1nis s PHE 480 Cb 0.17 0.37 0.05 0.00 -0.34 0.00 0.00 43.02 43.27 1nis s PHE 480 CO -0.07 -0.42 -0.12 1.21 -1.46 0.00 0.00 175.22 174.37 1nis s ASN 481 N 1.67 4.23 0.61 6.13 3.84 -1.26 -4.89 114.94 125.27 1nis s ASN 481 Ca -0.08 -1.25 0.32 0.00 0.21 0.00 0.00 52.86 52.06 1nis s ASN 481 Cb -0.08 -1.55 1.85 0.00 -0.55 0.00 0.00 41.25 40.92 1nis s ASN 481 CO -0.15 -0.16 2.20 -0.65 -2.79 0.00 0.00 177.10 175.56 1nis h PRO 482 N 7.82 0.00 0.04 0.43 0.11 -1.96 -0.85 132.00 137.59 1nis h PRO 482 Ca -0.24 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.64 1nis h PRO 482 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1nis h PRO 482 CO 0.50 0.00 -1.01 0.93 -0.21 0.00 0.00 178.00 178.21 1nis h GLU 483 N 0.00 0.23 0.00 1.05 5.08 -1.95 -3.41 114.58 115.59 1nis h GLU 483 Ca 0.03 -0.31 -0.25 0.00 -1.00 0.00 0.00 59.36 57.83 1nis h GLU 483 Cb 0.21 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1nis h GLU 483 CO -0.00 1.07 -1.94 0.25 -1.00 0.00 0.00 179.01 177.39 1nis n THR 484 N -3.60 0.94 -1.70 1.13 -2.24 -0.44 -5.00 114.28 103.36 1nis n THR 484 Ca -0.05 -0.34 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 1nis n THR 484 Cb 0.89 -1.18 0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1nis n THR 484 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nis s ASP 485 N -5.74 5.69 -0.11 3.42 1.01 -0.51 -5.05 116.67 115.39 1nis s ASP 485 Ca -0.22 1.56 -0.04 0.00 0.71 0.00 0.00 52.55 54.56 1nis s ASP 485 Cb 0.06 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1nis s ASP 485 CO 0.37 -1.23 0.04 -0.36 0.21 0.00 0.00 175.17 174.20 1nis s PHE 486 N -3.05 3.29 0.34 4.23 0.40 -1.26 -4.48 117.98 117.44 1nis s PHE 486 Ca 0.57 0.26 0.08 0.00 -0.60 0.00 0.00 56.93 57.24 1nis s PHE 486 Cb -0.13 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 1nis s PHE 486 CO 0.53 0.50 0.28 -0.51 0.70 0.00 0.00 175.22 176.72 1nis s LEU 487 N -0.77 3.54 -0.15 -0.37 1.02 0.61 -4.89 118.68 117.68 1nis s LEU 487 Ca 0.12 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1nis s LEU 487 Cb -0.12 -2.14 0.01 0.00 0.02 0.00 0.00 46.19 43.97 1nis s LEU 487 CO 0.03 -0.37 -0.20 -0.89 0.02 0.00 0.00 176.35 174.93 1nis s THR 488 N -2.33 1.98 0.55 5.49 2.01 -1.26 -0.75 115.64 121.33 1nis s THR 488 Ca 0.41 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 1nis s THR 488 Cb -0.05 -1.77 0.14 0.00 0.01 0.00 0.00 72.50 70.82 1nis s THR 488 CO 0.26 0.53 0.52 0.61 -0.69 0.00 0.00 174.62 175.85 1nis n GLY 489 N 4.27 -2.41 0.19 4.40 0.00 0.24 -4.92 105.19 106.97 1nis n GLY 489 Ca -0.20 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1nis n GLY 489 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nis h LYS 490 N 0.00 0.59 0.00 1.61 3.64 -1.09 -2.93 116.57 118.40 1nis h LYS 490 Ca -0.19 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1nis h LYS 490 Cb 0.57 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1nis h LYS 490 CO 0.13 0.50 0.00 -0.40 -2.27 0.00 0.00 179.45 177.40 1nis n ASP 491 N -4.70 0.00 0.00 4.20 5.75 -1.26 -4.88 116.55 115.66 1nis n ASP 491 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 1nis n ASP 491 Cb 0.10 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1nis n ASP 491 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nis n GLY 492 N -0.09 3.14 3.74 6.12 0.00 -1.11 -5.05 105.19 111.95 1nis n GLY 492 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1nis n GLY 492 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nis s LYS 493 N -0.66 4.75 0.33 1.61 1.02 -1.26 -4.73 119.74 120.80 1nis s LYS 493 Ca 0.00 1.54 -0.27 0.00 0.02 0.00 0.00 55.97 57.25 1nis s LYS 493 Cb 0.00 -3.30 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 1nis s LYS 493 CO 0.00 0.34 1.11 0.15 -0.92 0.00 0.00 175.35 176.02 1nis s LYS 494 N -0.73 4.42 0.04 1.68 -0.14 -1.26 -0.59 119.74 123.16 1nis s LYS 494 Ca 0.44 1.76 -0.05 0.00 -1.36 0.00 0.00 55.97 56.76 1nis s LYS 494 Cb -0.26 -2.95 -0.01 0.00 -1.68 0.00 0.00 37.83 32.92 1nis s LYS 494 CO 0.33 0.03 0.09 -0.59 -0.76 0.00 0.00 175.35 174.44 1nis s PHE 495 N -1.32 0.22 -0.06 3.18 -0.71 0.08 -4.92 117.98 114.45 1nis s PHE 495 Ca 0.50 -0.54 0.04 0.00 -1.04 0.00 0.00 56.93 55.89 1nis s PHE 495 Cb -0.30 -0.16 -0.02 0.00 -1.21 0.00 0.00 43.02 41.34 1nis s PHE 495 CO 0.38 -0.37 -0.18 0.21 -1.34 0.00 0.00 175.22 173.92 1nis s LYS 496 N -2.68 2.59 0.02 1.99 2.20 -1.26 -0.28 119.74 122.31 1nis s LYS 496 Ca -0.04 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 1nis s LYS 496 Cb -0.01 -2.33 -0.06 0.00 -1.51 0.00 0.00 37.83 33.93 1nis s LYS 496 CO -0.05 0.50 1.48 -0.51 -0.36 0.00 0.00 175.35 176.42 1nis s LEU 497 N -0.43 4.33 0.43 5.43 2.01 -1.26 -5.02 118.68 124.16 1nis s LEU 497 Ca 0.05 2.22 -0.22 0.00 0.01 0.00 0.00 54.13 56.19 1nis s LEU 497 Cb -0.12 -3.56 -0.09 0.00 0.01 0.00 0.00 46.19 42.43 1nis s LEU 497 CO 0.02 -0.78 1.01 -0.70 1.01 0.00 0.00 176.35 176.91 1nis s GLU 498 N 2.56 4.09 0.28 1.70 -6.30 -1.26 -4.84 118.70 114.92 1nis s GLU 498 Ca 0.67 1.36 -0.29 0.00 -2.50 0.00 0.00 54.97 54.20 1nis s GLU 498 Cb -0.34 -2.33 -0.10 0.00 0.00 0.00 0.00 34.13 31.36 1nis s GLU 498 CO 0.28 -0.18 1.39 0.00 0.02 0.00 0.00 175.26 176.77 1nis s ALA 499 N -1.88 3.58 0.30 6.30 0.00 -1.26 -4.89 121.76 123.90 1nis s ALA 499 Ca 0.61 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1nis s ALA 499 Cb -0.17 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.32 1nis s ALA 499 CO 0.21 -0.71 1.18 -1.25 0.00 0.00 0.00 175.76 175.19 1nis s PRO 500 N -0.90 4.53 0.04 0.00 0.04 -1.26 -4.99 135.00 132.46 1nis s PRO 500 Ca 0.55 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.62 1nis s PRO 500 Cb -0.41 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1nis s PRO 500 CO 0.47 0.05 -0.19 0.34 0.04 0.00 0.00 177.00 177.71 1nis s ASP 501 N -0.69 2.29 -0.09 6.66 2.15 -1.26 -4.91 116.67 120.82 1nis s ASP 501 Ca 0.46 -0.51 -0.30 0.00 0.43 0.00 0.00 52.55 52.64 1nis s ASP 501 Cb -0.35 -0.18 0.11 0.00 -0.30 0.00 0.00 42.92 42.20 1nis s ASP 501 CO 0.45 0.13 0.92 0.00 -0.17 0.00 0.00 175.17 176.50 1nis s ALA 502 N -0.82 -1.87 0.49 3.66 0.00 -1.26 -4.81 121.76 117.15 1nis s ALA 502 Ca 0.06 1.34 -0.23 0.00 0.00 0.00 0.00 51.96 53.12 1nis s ALA 502 Cb -0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.77 1nis s ALA 502 CO 0.02 -0.46 1.33 -0.51 0.00 0.00 0.00 175.76 176.14 1nis s ASP 503 N -1.64 5.72 0.16 0.00 1.01 -1.26 -4.94 116.67 115.73 1nis s ASP 503 Ca -0.00 2.71 0.13 0.00 0.71 0.00 0.00 52.55 56.10 1nis s ASP 503 Cb -0.01 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 1nis s ASP 503 CO -0.01 -1.26 1.19 1.05 0.21 0.00 0.00 175.17 176.35 1nis h GLU 504 N 1.95 0.00 -4.33 8.23 4.11 -1.94 -3.38 114.58 119.22 1nis h GLU 504 Ca -0.50 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.75 1nis h GLU 504 Cb 1.27 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.36 1nis h GLU 504 CO 0.59 0.56 -0.69 -0.51 0.07 0.00 0.00 179.01 179.03 1nis s LEU 505 N -6.32 2.42 0.43 3.06 1.43 -1.26 -3.60 118.68 114.85 1nis s LEU 505 Ca 0.01 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.00 1nis s LEU 505 Cb 0.08 0.08 -0.08 0.00 0.03 0.00 0.00 46.19 46.30 1nis s LEU 505 CO 0.78 -0.47 1.25 -2.16 0.23 0.00 0.00 176.35 175.98 1nis s PRO 506 N -3.20 3.85 0.09 1.29 0.04 -1.26 -4.92 135.00 130.89 1nis s PRO 506 Ca 0.02 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 1nis s PRO 506 Cb 0.02 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 1nis s PRO 506 CO -0.06 -0.54 1.57 0.00 0.04 0.00 0.00 177.00 178.01 1nis h ARG 507 N 2.40 0.40 0.00 4.56 3.08 -2.00 -3.42 114.38 119.41 1nis h ARG 507 Ca -0.49 -0.11 -0.25 0.00 0.07 0.00 0.00 59.98 59.20 1nis h ARG 507 Cb 1.25 -0.05 0.10 0.00 0.08 0.00 0.00 29.97 31.35 1nis h ARG 507 CO 0.61 0.53 0.23 0.00 -1.07 0.00 0.00 179.97 180.27 1nis n ALA 508 N -2.31 -0.80 -1.34 0.04 0.00 -1.26 -5.03 120.51 109.81 1nis n ALA 508 Ca -0.03 -1.02 -0.29 0.00 0.00 0.00 0.00 53.44 52.10 1nis n ALA 508 Cb 0.19 -0.03 0.16 0.00 0.00 0.00 0.00 19.45 19.78 1nis n ALA 508 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nis s GLU 509 N -4.62 0.65 0.55 0.00 0.41 -1.26 -5.01 118.70 109.42 1nis s GLU 509 Ca 0.43 0.36 -0.19 0.00 -0.41 0.00 0.00 54.97 55.17 1nis s GLU 509 Cb -0.01 -1.78 -0.06 0.00 -1.78 0.00 0.00 34.13 30.51 1nis s GLU 509 CO 0.30 -2.55 1.09 -0.06 -0.49 0.00 0.00 175.26 173.55 1nis s PHE 510 N -3.12 2.82 -0.30 1.61 0.08 -1.26 -4.90 117.98 112.90 1nis s PHE 510 Ca 0.65 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 59.14 1nis s PHE 510 Cb -0.16 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.09 1nis s PHE 510 CO 0.56 -1.28 0.19 0.34 -0.10 0.00 0.00 175.22 174.92 1nis s ASP 511 N -2.10 5.91 0.28 1.36 -1.08 -1.26 -4.96 116.67 114.82 1nis s ASP 511 Ca 0.69 -0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.72 1nis s ASP 511 Cb -0.20 -2.10 1.06 0.00 -1.46 0.00 0.00 42.92 40.22 1nis s ASP 511 CO 0.28 -0.13 1.69 -0.81 0.52 0.00 0.00 175.17 176.72 1nis n PRO 512 N 5.06 0.17 0.00 4.34 -0.04 -1.26 -4.12 135.00 139.14 1nis n PRO 512 Ca -0.14 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1nis n PRO 512 Cb 0.51 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1nis n PRO 512 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nis n GLY 513 N -0.55 -0.21 3.87 0.55 0.00 -1.26 -3.60 105.19 103.99 1nis n GLY 513 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 1nis n GLY 513 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nis s GLN 514 N 0.00 3.71 -0.28 1.61 1.03 -1.26 -4.98 119.66 119.48 1nis s GLN 514 Ca 0.00 0.59 -0.33 0.00 0.04 0.00 0.00 55.36 55.66 1nis s GLN 514 Cb 0.00 -2.24 -0.09 0.00 0.03 0.00 0.00 33.01 30.70 1nis s GLN 514 CO 0.00 -0.28 2.17 -0.40 -2.54 0.00 0.00 175.29 174.24 1nis n ASP 515 N -2.01 2.62 0.00 12.60 5.75 -1.26 -4.86 116.55 129.39 1nis n ASP 515 Ca 0.04 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1nis n ASP 515 Cb 0.54 -1.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 1nis n ASP 515 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1nis n THR 516 N 7.20 0.00 -3.54 2.12 -2.24 -1.26 -5.02 114.28 111.54 1nis n THR 516 Ca 0.36 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.49 1nis n THR 516 Cb 0.31 1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 69.83 1nis n THR 516 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nis s TYR 517 N -0.12 3.70 -0.28 4.78 5.04 -1.26 -1.09 117.35 128.12 1nis s TYR 517 Ca 0.00 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 1nis s TYR 517 Cb 0.00 -2.25 0.07 0.00 0.35 0.00 0.00 41.96 40.13 1nis s TYR 517 CO 0.00 0.64 -0.04 -1.14 -1.34 0.00 0.00 175.55 173.66 1nis s GLN 518 N -1.17 1.81 0.33 4.97 0.74 0.37 -4.97 119.66 121.73 1nis s GLN 518 Ca 0.24 -1.37 -0.27 0.00 0.05 0.00 0.00 55.36 54.01 1nis s GLN 518 Cb -0.16 -2.84 -0.09 0.00 1.10 0.00 0.00 33.01 31.02 1nis s GLN 518 CO 0.13 -0.69 1.08 -1.58 -0.55 0.00 0.00 175.29 173.68 1nis s HIS 519 N 1.16 3.44 0.37 1.67 5.65 -1.26 -2.03 115.29 124.29 1nis s HIS 519 Ca -0.02 1.68 -0.28 0.00 0.25 0.00 0.00 55.06 56.69 1nis s HIS 519 Cb -0.19 -3.23 -0.10 0.00 -1.18 0.00 0.00 32.58 27.88 1nis s HIS 519 CO -0.07 -0.60 1.41 -1.25 -0.65 0.00 0.00 174.74 173.58 1nis s PRO 520 N -1.87 4.12 -0.24 2.88 0.04 -1.26 -4.95 135.00 133.72 1nis s PRO 520 Ca 0.50 2.42 -0.29 0.00 0.04 0.00 0.00 61.00 63.67 1nis s PRO 520 Cb -0.28 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1nis s PRO 520 CO 0.36 -0.46 1.86 -1.25 0.04 0.00 0.00 177.00 177.54 1nis s PRO 521 N -2.06 3.50 0.00 0.56 0.04 -1.26 -4.81 135.00 130.97 1nis s PRO 521 Ca 0.53 1.75 0.22 0.00 0.04 0.00 0.00 61.00 63.55 1nis s PRO 521 Cb -0.44 -4.19 0.59 0.00 0.04 0.00 0.00 34.50 30.51 1nis s PRO 521 CO 0.58 -1.66 1.50 1.63 0.04 0.00 0.00 177.00 179.10 1nis n LYS 522 N 8.19 2.62 0.00 4.56 4.76 -1.26 -3.72 118.16 133.32 1nis n LYS 522 Ca 0.23 -2.51 0.00 0.00 -2.87 0.00 0.00 58.31 53.16 1nis n LYS 522 Cb 0.45 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1nis n LYS 522 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1nis n ASP 523 N 1.57 0.00 0.00 4.39 5.75 -1.26 -4.88 116.55 122.12 1nis n ASP 523 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 1nis n ASP 523 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 1nis n ASP 523 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1nis n SER 524 N 0.00 0.00 -0.25 -1.12 7.64 -1.26 -4.80 113.62 113.84 1nis n SER 524 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nis n SER 524 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nis n SER 524 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nis n SER 525 N -0.57 -0.51 -0.55 6.43 7.64 -1.24 -4.78 113.62 120.04 1nis n SER 525 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1nis n SER 525 Cb 0.00 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1nis n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nis n GLY 526 N 0.06 1.47 3.75 0.23 0.00 -1.26 -4.65 105.19 104.80 1nis n GLY 526 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1nis n GLY 526 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nis s GLN 527 N -0.90 3.24 -0.22 1.61 1.11 -1.26 -5.02 119.66 118.22 1nis s GLN 527 Ca 0.00 2.10 -0.07 0.00 0.01 0.00 0.00 55.36 57.40 1nis s GLN 527 Cb 0.00 -2.25 -0.03 0.00 -1.01 0.00 0.00 33.01 29.72 1nis s GLN 527 CO 0.00 -1.07 0.05 1.03 0.01 0.00 0.00 175.29 175.31 1nis s ARG 528 N -2.91 3.72 -0.17 2.91 0.52 -1.26 -4.92 118.95 116.84 1nis s ARG 528 Ca 0.71 -0.46 -0.26 0.00 -0.52 0.00 0.00 55.73 55.19 1nis s ARG 528 Cb -0.37 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 31.87 1nis s ARG 528 CO 0.44 -0.01 0.88 0.08 0.02 0.00 0.00 175.30 176.70 1nis s VAL 529 N 1.12 4.84 -0.19 3.52 1.01 -1.26 -4.97 120.40 124.47 1nis s VAL 529 Ca 0.04 1.73 -0.04 0.00 0.00 0.00 0.00 61.98 63.71 1nis s VAL 529 Cb -0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1nis s VAL 529 CO 0.03 -0.00 -0.04 -0.62 0.00 0.00 0.00 175.10 174.46 1nis s ASP 530 N 1.16 4.51 -0.25 3.32 2.15 -1.26 -5.06 116.67 121.24 1nis s ASP 530 Ca 0.40 -0.28 0.03 0.00 0.43 0.00 0.00 52.55 53.13 1nis s ASP 530 Cb -0.17 -1.76 0.06 0.00 -0.30 0.00 0.00 42.92 40.76 1nis s ASP 530 CO 0.12 0.06 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.39 1nis s VAL 531 N 0.99 2.07 0.29 1.11 1.01 -1.26 -4.91 120.40 119.69 1nis s VAL 531 Ca 0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 1nis s VAL 531 Cb -0.15 -2.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.94 1nis s VAL 531 CO 0.01 -0.02 1.50 -0.55 0.00 0.00 0.00 175.10 176.03 1nis s SER 532 N 1.15 6.52 0.37 3.32 0.15 -1.26 -4.88 113.70 119.06 1nis s SER 532 Ca -0.08 2.82 0.27 0.00 0.70 0.00 0.00 55.95 59.66 1nis s SER 532 Cb -0.20 -2.63 1.22 0.00 -1.71 0.00 0.00 66.02 62.70 1nis s SER 532 CO -0.05 -0.79 1.82 1.55 1.20 0.00 0.00 173.24 176.96 1nis h PRO 533 N 4.63 0.00 -0.66 5.44 0.13 -1.99 -1.84 132.00 137.72 1nis h PRO 533 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nis h PRO 533 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1nis h PRO 533 CO 0.76 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.78 1nis n THR 534 N -2.50 0.90 -2.02 1.56 -2.24 -1.26 -5.00 114.28 103.71 1nis n THR 534 Ca 0.01 -0.95 -0.38 0.00 -2.27 0.00 0.00 64.05 60.46 1nis n THR 534 Cb 0.20 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.04 1nis n THR 534 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nis s SER 535 N -1.09 5.87 0.00 3.42 0.15 -0.69 -4.91 113.70 116.44 1nis s SER 535 Ca 0.46 2.58 0.22 0.00 0.70 0.00 0.00 55.95 59.91 1nis s SER 535 Cb 0.25 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.85 1nis s SER 535 CO 0.32 -1.14 1.01 0.00 1.20 0.00 0.00 173.24 174.63 1nis n GLN 536 N -0.52 0.17 -0.03 5.44 1.13 -1.26 -4.48 117.38 117.82 1nis n GLN 536 Ca 0.07 -0.13 0.01 0.00 -1.94 0.00 0.00 57.00 55.01 1nis n GLN 536 Cb 0.46 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.20 1nis n GLN 536 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1nis n ARG 537 N -1.30 1.09 -4.60 -1.09 1.74 -1.26 -4.84 116.66 106.40 1nis n ARG 537 Ca 0.05 -0.07 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 1nis n ARG 537 Cb 0.35 -1.33 -0.15 0.00 -1.02 0.00 0.00 32.46 30.31 1nis n ARG 537 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nis s LEU 538 N -4.41 2.02 -0.12 0.55 1.43 -1.26 -2.83 118.68 114.06 1nis s LEU 538 Ca -0.06 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1nis s LEU 538 Cb 0.07 -0.68 0.05 0.00 0.03 0.00 0.00 46.19 45.65 1nis s LEU 538 CO 0.56 0.16 0.28 -1.58 0.23 0.00 0.00 176.35 176.00 1nis s GLN 539 N -0.30 0.25 0.46 1.70 0.74 -0.42 -4.51 119.66 117.58 1nis s GLN 539 Ca 0.05 0.59 -0.23 0.00 0.05 0.00 0.00 55.36 55.82 1nis s GLN 539 Cb -0.05 -0.10 -0.07 0.00 1.10 0.00 0.00 33.01 33.89 1nis s GLN 539 CO -0.00 -0.16 1.17 -0.51 -0.55 0.00 0.00 175.29 175.24 1nis s LEU 540 N 1.28 4.01 0.25 3.68 1.43 -1.26 -4.75 118.68 123.32 1nis s LEU 540 Ca -0.09 2.33 -0.27 0.00 -1.03 0.00 0.00 54.13 55.06 1nis s LEU 540 Cb -0.10 -4.23 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 1nis s LEU 540 CO -0.09 -0.93 0.89 -0.76 0.23 0.00 0.00 176.35 175.68 1nis s LEU 541 N -3.02 4.52 -0.18 1.79 1.43 -1.26 -5.03 118.68 116.92 1nis s LEU 541 Ca 0.64 1.81 -0.08 0.00 -1.03 0.00 0.00 54.13 55.46 1nis s LEU 541 Cb -0.29 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1nis s LEU 541 CO 0.35 0.09 0.09 -0.70 0.23 0.00 0.00 176.35 176.41 1nis s GLU 542 N -1.51 4.02 0.61 1.70 2.12 -1.26 -5.02 118.70 119.36 1nis s GLU 542 Ca 0.43 -0.29 -0.19 0.00 0.36 0.00 0.00 54.97 55.28 1nis s GLU 542 Cb -0.22 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1nis s GLU 542 CO 0.27 0.31 1.21 -0.35 -0.54 0.00 0.00 175.26 176.16 1nis n PRO 543 N 3.45 1.17 -2.19 4.30 -0.04 -1.26 -5.00 135.00 135.43 1nis n PRO 543 Ca -0.16 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.44 1nis n PRO 543 Cb 0.52 -2.43 -0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1nis n PRO 543 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nis s PHE 544 N -1.40 3.58 0.49 0.54 0.08 -1.26 -5.02 117.98 114.98 1nis s PHE 544 Ca 0.78 1.20 -0.24 0.00 0.12 0.00 0.00 56.93 58.79 1nis s PHE 544 Cb -0.40 -2.62 -0.07 0.00 -0.57 0.00 0.00 43.02 39.36 1nis s PHE 544 CO 0.44 -0.51 1.37 0.16 -0.10 0.00 0.00 175.22 176.58 1nis s ASP 545 N -3.91 5.67 0.72 1.36 -4.77 -1.26 -4.84 116.67 109.63 1nis s ASP 545 Ca 0.54 2.80 -0.11 0.00 -3.30 0.00 0.00 52.55 52.47 1nis s ASP 545 Cb -0.11 -2.64 0.02 0.00 -1.09 0.00 0.00 42.92 39.11 1nis s ASP 545 CO 0.47 -1.30 1.07 -0.54 0.70 0.00 0.00 175.17 175.56 1nis s LYS 546 N -2.64 2.71 0.32 2.11 -0.14 -1.26 -4.17 119.74 116.67 1nis s LYS 546 Ca 0.65 0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 55.90 1nis s LYS 546 Cb -0.41 -1.97 -0.10 0.00 -1.68 0.00 0.00 37.83 33.67 1nis s LYS 546 CO 0.51 -1.25 1.31 -0.46 -0.76 0.00 0.00 175.35 174.70 1nis s TRP 547 N -3.05 3.08 -0.96 3.18 -0.00 -0.50 -4.80 118.94 115.90 1nis s TRP 547 Ca 0.59 1.38 0.21 0.00 -0.00 0.00 0.00 56.10 58.28 1nis s TRP 547 Cb -0.14 -3.67 0.87 0.00 -0.00 0.00 0.00 33.47 30.52 1nis s TRP 547 CO 0.55 -1.88 1.66 -0.40 -0.00 0.00 0.00 176.95 176.88 1nis n ASP 548 N 1.03 0.07 0.00 5.86 5.68 -1.26 -4.87 116.55 123.06 1nis n ASP 548 Ca 0.01 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 1nis n ASP 548 Cb 0.42 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1nis n ASP 548 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nis n GLY 549 N 0.59 0.77 3.65 6.12 0.00 -1.26 -5.05 105.19 110.02 1nis n GLY 549 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1nis n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nis s LYS 550 N -0.63 2.16 0.93 1.61 1.02 -1.26 -4.85 119.74 118.72 1nis s LYS 550 Ca 0.00 -1.68 -0.12 0.00 0.02 0.00 0.00 55.97 54.18 1nis s LYS 550 Cb 0.00 -2.00 0.15 0.00 -0.52 0.00 0.00 37.83 35.46 1nis s LYS 550 CO 0.00 0.14 1.13 -0.51 -0.92 0.00 0.00 175.35 175.19 1nis s ASP 551 N -3.74 3.28 -0.48 2.83 1.01 -1.26 -4.91 116.67 113.39 1nis s ASP 551 Ca 0.35 1.00 -0.12 0.00 0.71 0.00 0.00 52.55 54.49 1nis s ASP 551 Cb -0.01 -1.58 0.11 0.00 1.01 0.00 0.00 42.92 42.45 1nis s ASP 551 CO 0.20 -2.70 0.38 -0.76 0.21 0.00 0.00 175.17 172.50 1nis s LEU 552 N -6.13 5.76 0.03 1.23 1.43 -0.91 -5.00 118.68 115.08 1nis s LEU 552 Ca 0.64 -1.77 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1nis s LEU 552 Cb -0.15 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1nis s LEU 552 CO 0.54 -0.72 0.11 -1.83 0.23 0.00 0.00 176.35 174.68 1nis s GLU 553 N 1.46 3.10 -1.31 1.70 1.03 -1.26 -0.77 118.70 122.64 1nis s GLU 553 Ca 0.04 -0.52 -0.01 0.00 0.03 0.00 0.00 54.97 54.51 1nis s GLU 553 Cb -0.27 -2.87 -0.00 0.00 -0.80 0.00 0.00 34.13 30.19 1nis s GLU 553 CO 0.01 0.62 0.66 -0.25 -1.33 0.00 0.00 175.26 174.97 1nis n ASP 554 N 0.83 -1.23 -4.75 0.83 8.00 -0.53 -4.92 116.55 114.77 1nis n ASP 554 Ca -0.10 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.13 1nis n ASP 554 Cb 0.52 -3.89 -0.04 0.00 -0.02 0.00 0.00 41.12 37.70 1nis n ASP 554 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nis s LEU 555 N -6.69 4.51 0.14 0.64 1.43 0.40 -4.76 118.68 114.35 1nis s LEU 555 Ca 0.02 2.29 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1nis s LEU 555 Cb -0.01 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 1nis s LEU 555 CO 0.83 -0.24 0.63 -1.58 0.23 0.00 0.00 176.35 176.22 1nis s GLN 556 N -1.12 4.20 -0.34 1.70 2.00 -0.18 -1.82 119.66 124.10 1nis s GLN 556 Ca 0.47 0.75 -0.27 0.00 -2.00 0.00 0.00 55.36 54.32 1nis s GLN 556 Cb -0.33 -3.06 0.01 0.00 0.80 0.00 0.00 33.01 30.44 1nis s GLN 556 CO 0.41 0.52 0.96 0.42 -0.50 0.00 0.00 175.29 177.09 1nis s ILE 557 N -1.32 4.59 0.08 -2.34 1.01 -1.26 -1.00 121.20 120.95 1nis s ILE 557 Ca 0.36 1.37 -0.18 0.00 0.00 0.00 0.00 60.65 62.20 1nis s ILE 557 Cb -0.18 -4.33 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 1nis s ILE 557 CO 0.20 -0.48 1.47 0.25 0.00 0.00 0.00 174.94 176.39 1nis h LEU 558 N 9.99 0.46 -7.00 2.97 5.85 -1.29 -3.47 115.31 122.83 1nis h LEU 558 Ca -0.22 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.14 1nis h LEU 558 Cb 1.08 -0.12 -0.22 0.00 0.37 0.00 0.00 40.66 41.76 1nis h LEU 558 CO 0.98 0.71 0.12 -0.51 -0.34 0.00 0.00 178.44 179.41 1nis s ILE 559 N -4.77 0.00 -0.31 4.05 2.07 -1.25 -4.81 121.20 116.17 1nis s ILE 559 Ca -0.14 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 58.99 1nis s ILE 559 Cb 0.07 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 1nis s ILE 559 CO 0.76 0.00 0.21 -0.75 -1.91 0.00 0.00 174.94 173.25 1nis s LYS 560 N 1.01 3.68 0.08 3.50 2.20 -1.26 -1.84 119.74 127.11 1nis s LYS 560 Ca -0.05 -0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 54.89 1nis s LYS 560 Cb -0.05 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.49 1nis s LYS 560 CO -0.10 -0.32 0.52 0.08 -0.36 0.00 0.00 175.35 175.16 1nis s VAL 561 N 1.73 4.87 -0.18 4.02 1.01 0.06 -1.66 120.40 130.25 1nis s VAL 561 Ca 0.06 0.95 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 1nis s VAL 561 Cb -0.17 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1nis s VAL 561 CO 0.10 0.43 0.03 -0.75 0.00 0.00 0.00 175.10 174.92 1nis s LYS 562 N -1.46 3.86 3.74 2.72 2.20 -0.60 -4.12 119.74 126.07 1nis s LYS 562 Ca 0.31 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1nis s LYS 562 Cb -0.17 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1nis s LYS 562 CO 0.18 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.80 1nis n GLY 563 N 3.67 0.39 3.70 5.54 0.00 -1.26 -4.56 105.19 112.67 1nis n GLY 563 Ca -0.17 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1nis n GLY 563 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nis s LYS 564 N 0.00 4.26 -0.36 1.61 2.20 -1.26 -4.49 119.74 121.70 1nis s LYS 564 Ca 0.00 2.15 -0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1nis s LYS 564 Cb 0.00 -3.43 0.13 0.00 -1.51 0.00 0.00 37.83 33.03 1nis s LYS 564 CO 0.00 -0.58 0.20 0.00 -0.36 0.00 0.00 175.35 174.61 1nis s THR 566 N 1.11 2.67 -0.25 0.00 2.01 -1.26 -0.20 115.64 119.71 1nis s THR 566 Ca 0.16 0.22 0.28 0.00 0.31 0.00 0.00 61.69 62.66 1nis s THR 566 Cb -0.22 -2.87 0.32 0.00 0.01 0.00 0.00 72.50 69.73 1nis s THR 566 CO -0.05 -0.28 1.83 0.71 -0.69 0.00 0.00 174.62 176.13 1nis h THR 567 N -1.36 0.00 0.00 -0.82 1.35 -1.32 -0.11 112.91 110.65 1nis h THR 567 Ca -0.49 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1nis h THR 567 Cb 1.29 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1nis h THR 567 CO 0.58 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 176.29 1nis h ASP 568 N 0.00 0.00 0.86 5.36 3.32 -1.83 0.82 116.42 124.95 1nis h ASP 568 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1nis h ASP 568 Cb 0.47 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1nis h ASP 568 CO 0.00 0.00 -1.16 0.45 -1.72 0.00 0.00 179.24 176.81 1nis h HIS 569 N 0.00 0.07 0.22 4.55 3.86 -1.39 -3.16 115.15 119.29 1nis h HIS 569 Ca 0.00 -0.05 -0.35 0.00 -1.16 0.00 0.00 60.37 58.81 1nis h HIS 569 Cb 0.72 -0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.21 1nis h HIS 569 CO 0.00 1.05 -1.65 0.82 0.86 0.00 0.00 177.93 179.01 1nis h ILE 570 N 0.01 1.07 -1.87 2.45 2.04 -1.25 -2.73 117.51 117.23 1nis h ILE 570 Ca -0.08 -2.59 -0.35 0.00 1.00 0.00 0.00 64.86 62.84 1nis h ILE 570 Cb 1.84 2.88 -0.30 0.00 -0.74 0.00 0.00 36.82 40.50 1nis h ILE 570 CO 0.13 0.84 -0.68 -0.55 0.00 0.00 0.00 178.15 177.89 1nis s SER 571 N -7.42 0.90 0.72 1.72 0.15 0.27 -1.10 113.70 108.93 1nis s SER 571 Ca -0.13 -1.64 -0.16 0.00 0.70 0.00 0.00 55.95 54.72 1nis s SER 571 Cb 0.05 0.65 0.01 0.00 -1.71 0.00 0.00 66.02 65.02 1nis s SER 571 CO 0.89 -0.24 1.03 0.00 1.20 0.00 0.00 173.24 176.13 1nis n ALA 572 N 4.09 -0.05 -2.03 5.45 0.00 -1.19 -4.36 120.51 122.41 1nis n ALA 572 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1nis n ALA 572 Cb 0.46 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1nis n ALA 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nis n ALA 573 N -2.52 0.00 -0.44 0.00 0.00 -1.26 -4.61 120.51 111.68 1nis n ALA 573 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1nis n ALA 573 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1nis n ALA 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nis n GLY 574 N 5.00 2.56 0.29 0.00 0.00 -1.15 -1.54 105.19 110.35 1nis n GLY 574 Ca 0.00 0.35 0.16 0.00 0.00 0.00 0.00 46.02 46.53 1nis n GLY 574 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nis h PRO 575 N 0.00 0.00 0.00 1.61 0.13 -1.92 -1.99 132.00 129.83 1nis h PRO 575 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nis h PRO 575 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nis h PRO 575 CO 0.00 0.06 0.00 0.91 -0.23 0.00 0.00 178.00 178.74 1nis n TRP 576 N -3.45 0.09 0.29 1.56 7.02 -0.59 -3.50 117.44 118.87 1nis n TRP 576 Ca -0.02 0.03 0.15 0.00 -1.02 0.00 0.00 57.50 56.64 1nis n TRP 576 Cb 0.19 -0.55 0.89 0.00 -2.42 0.00 0.00 31.31 29.42 1nis n TRP 576 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1nis h LEU 577 N 0.00 0.00 -1.98 -0.99 3.38 -1.50 -0.87 115.31 113.35 1nis h LEU 577 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1nis h LEU 577 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1nis h LEU 577 CO 0.00 0.02 0.32 0.50 0.09 0.00 0.00 178.44 179.37 1nis h LYS 578 N 0.00 0.02 -0.36 1.13 3.64 -1.79 -2.28 116.57 116.93 1nis h LYS 578 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nis h LYS 578 Cb 0.07 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1nis h LYS 578 CO 0.00 0.01 0.00 1.19 -2.27 0.00 0.00 179.45 178.39 1nis n PHE 579 N -4.41 1.26 0.28 1.91 3.72 -0.33 -4.68 117.46 115.20 1nis n PHE 579 Ca 0.08 -0.83 0.09 0.00 -0.05 0.00 0.00 57.45 56.74 1nis n PHE 579 Cb 0.51 -0.36 0.42 0.00 -0.94 0.00 0.00 39.48 39.10 1nis n PHE 579 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1nis n ARG 580 N -0.15 0.12 -0.31 -1.08 5.12 -0.86 -1.12 116.66 118.37 1nis n ARG 580 Ca 0.23 0.47 0.09 0.00 -1.93 0.00 0.00 57.85 56.71 1nis n ARG 580 Cb 0.97 -1.78 0.25 0.00 -1.16 0.00 0.00 32.46 30.73 1nis n ARG 580 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nis n GLY 581 N -0.63 2.74 2.74 -0.13 0.00 -1.20 -4.27 105.19 104.44 1nis n GLY 581 Ca 0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1nis n GLY 581 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nis s HIS 582 N -1.19 1.98 0.29 1.61 5.65 -0.28 -1.30 115.29 122.06 1nis s HIS 582 Ca 0.37 -2.16 -0.02 0.00 0.25 0.00 0.00 55.06 53.50 1nis s HIS 582 Cb 0.21 -1.88 0.44 0.00 -1.18 0.00 0.00 32.58 30.17 1nis s HIS 582 CO 0.23 -0.84 1.95 1.25 -0.65 0.00 0.00 174.74 176.68 1nis h LEU 583 N 7.39 0.97 -0.88 8.88 5.85 -1.85 -1.90 115.31 133.77 1nis h LEU 583 Ca -0.07 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 1nis h LEU 583 Cb 0.97 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1nis h LEU 583 CO 0.48 0.69 -0.54 -0.78 -0.34 0.00 0.00 178.44 177.95 1nis h ASP 584 N 1.13 0.07 0.62 1.25 3.58 -1.95 -2.33 116.42 118.79 1nis h ASP 584 Ca 0.33 -0.04 -0.28 0.00 0.42 0.00 0.00 57.03 57.47 1nis h ASP 584 Cb -0.06 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 1nis h ASP 584 CO -0.08 0.59 -1.30 0.78 -2.88 0.00 0.00 179.24 176.35 1nis h ASN 585 N 0.05 0.37 1.27 2.28 -0.26 -1.75 -3.09 115.58 114.44 1nis h ASN 585 Ca -0.00 -0.42 -0.08 0.00 -0.56 0.00 0.00 56.30 55.24 1nis h ASN 585 Cb 0.96 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.09 1nis h ASN 585 CO 0.07 1.33 -0.38 -0.29 -1.06 0.00 0.00 177.43 177.10 1nis h ILE 586 N 0.06 0.74 0.00 2.81 2.10 -1.34 -2.87 117.51 119.02 1nis h ILE 586 Ca -0.15 -1.76 0.00 0.00 1.08 0.00 0.00 64.86 64.03 1nis h ILE 586 Cb 1.96 2.15 0.00 0.00 -1.09 0.00 0.00 36.82 39.85 1nis h ILE 586 CO 0.18 0.38 0.00 -1.20 -1.08 0.00 0.00 178.15 176.43 1nis n SER 587 N -3.31 0.00 0.00 2.19 7.64 -0.88 -1.07 113.62 118.19 1nis n SER 587 Ca 0.01 0.47 0.12 0.00 1.01 0.00 0.00 58.87 60.48 1nis n SER 587 Cb 0.61 -0.47 0.67 0.00 -1.01 0.00 0.00 64.21 64.01 1nis n SER 587 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nis n ASN 588 N -1.47 0.00 -1.15 6.43 3.02 -1.08 -2.49 115.26 118.52 1nis n ASN 588 Ca 0.00 -0.45 0.11 0.00 -0.03 0.00 0.00 54.58 54.21 1nis n ASN 588 Cb 0.01 -0.13 0.22 0.00 -0.61 0.00 0.00 39.78 39.28 1nis n ASN 588 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1nis n ASN 589 N -1.13 3.49 -4.60 6.41 2.04 -0.23 -4.80 115.26 116.44 1nis n ASN 589 Ca 0.15 -1.98 -0.49 0.00 -0.44 0.00 0.00 54.58 51.82 1nis n ASN 589 Cb 0.13 -0.28 -0.05 0.00 -2.53 0.00 0.00 39.78 37.05 1nis n ASN 589 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1nis n LEU 590 N 1.46 2.97 -1.85 -4.53 7.94 -1.04 -2.04 117.00 119.92 1nis n LEU 590 Ca 0.19 0.69 -0.20 0.00 -1.11 0.00 0.00 56.01 55.58 1nis n LEU 590 Cb 0.60 -1.35 -0.06 0.00 0.53 0.00 0.00 43.42 43.13 1nis n LEU 590 CO 0.15 -0.38 -0.21 0.18 -1.11 0.00 0.00 177.39 176.03 1nis n LEU 591 N 8.35 -1.58 0.12 -1.96 4.77 -0.26 -3.94 117.00 122.49 1nis n LEU 591 Ca 0.30 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 1nis n LEU 591 Cb 0.29 -2.79 0.47 0.00 -2.33 0.00 0.00 43.42 39.07 1nis n LEU 591 CO 0.73 -0.77 0.85 2.30 -1.33 0.00 0.00 177.39 179.18 1nis n ILE 592 N -2.84 0.81 0.87 -0.08 -5.35 -0.87 -2.39 119.36 109.51 1nis n ILE 592 Ca -0.21 0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.56 1nis n ILE 592 Cb 0.66 -1.10 -0.03 0.00 -1.74 0.00 0.00 39.64 37.43 1nis n ILE 592 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nis n GLY 593 N 0.12 -1.08 3.77 3.28 0.00 -1.03 -3.02 105.19 107.24 1nis n GLY 593 Ca 0.03 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1nis n GLY 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nis s ALA 594 N -3.06 2.69 -0.15 4.61 0.00 -1.01 -4.86 121.76 119.98 1nis s ALA 594 Ca 0.07 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 1nis s ALA 594 Cb 0.16 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1nis s ALA 594 CO 0.83 -0.84 0.45 0.42 0.00 0.00 0.00 175.76 176.62 1nis s ILE 595 N -1.71 5.19 -0.10 0.00 -1.09 -1.26 -4.06 121.20 118.17 1nis s ILE 595 Ca 0.73 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.72 1nis s ILE 595 Cb -0.26 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1nis s ILE 595 CO 0.29 0.29 1.01 0.21 -1.23 0.00 0.00 174.94 175.51 1nis s ASN 596 N 0.78 7.25 0.43 3.58 2.47 -0.17 -1.56 114.94 127.72 1nis s ASN 596 Ca 0.23 1.54 0.12 0.00 0.42 0.00 0.00 52.86 55.18 1nis s ASN 596 Cb -0.15 -2.56 0.94 0.00 -1.45 0.00 0.00 41.25 38.03 1nis s ASN 596 CO 0.09 -0.44 1.99 0.77 -3.72 0.00 0.00 177.10 175.79 1nis h SER 597 N 7.09 0.12 -0.88 -4.21 4.64 -1.63 0.43 113.55 119.10 1nis h SER 597 Ca -0.32 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.05 1nis h SER 597 Cb 1.15 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 1nis h SER 597 CO 0.85 0.25 0.57 -0.08 -0.87 0.00 0.00 176.83 177.55 1nis h GLU 598 N 0.13 0.97 0.00 4.77 4.81 -1.93 -3.30 114.58 120.03 1nis h GLU 598 Ca 0.03 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1nis h GLU 598 Cb 0.28 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1nis h GLU 598 CO 0.02 0.64 0.00 0.27 -0.73 0.00 0.00 179.01 179.21 1nis n ASN 599 N -4.48 0.23 -3.24 1.04 0.23 -1.15 -5.00 115.26 102.89 1nis n ASN 599 Ca 0.13 -1.05 -0.22 0.00 -0.53 0.00 0.00 54.58 52.90 1nis n ASN 599 Cb 0.19 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1nis n ASN 599 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1nis n ARG 600 N -0.03 -3.62 -4.21 -3.83 1.74 0.15 -5.00 116.66 101.85 1nis n ARG 600 Ca 0.00 0.57 -0.25 0.00 -0.77 0.00 0.00 57.85 57.39 1nis n ARG 600 Cb 0.28 -5.30 -0.07 0.00 -1.02 0.00 0.00 32.46 26.35 1nis n ARG 600 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nis s LYS 601 N -5.89 2.45 0.02 5.56 1.02 -1.25 -4.76 119.74 116.89 1nis s LYS 601 Ca 0.36 -1.16 -0.17 0.00 0.02 0.00 0.00 55.97 55.02 1nis s LYS 601 Cb -0.18 -2.34 -0.06 0.00 -0.52 0.00 0.00 37.83 34.73 1nis s LYS 601 CO 0.44 0.43 0.47 0.00 -0.92 0.00 0.00 175.35 175.77 1nis s ALA 602 N -1.90 3.65 -1.44 5.17 0.00 -1.26 -1.00 121.76 124.97 1nis s ALA 602 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 1nis s ALA 602 Cb -0.08 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.60 1nis s ALA 602 CO 0.20 0.43 0.91 -1.71 0.00 0.00 0.00 175.76 175.59 1nis n ASN 603 N 1.85 -3.72 -3.39 0.00 5.15 -1.17 -4.97 115.26 109.01 1nis n ASN 603 Ca -0.12 -0.77 -0.19 0.00 -0.60 0.00 0.00 54.58 52.91 1nis n ASN 603 Cb 0.52 -4.08 -0.09 0.00 -0.53 0.00 0.00 39.78 35.60 1nis n ASN 603 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1nis s SER 604 N -3.68 1.62 0.20 1.20 0.15 -1.25 -3.73 113.70 108.22 1nis s SER 604 Ca 0.43 -1.28 0.10 0.00 0.70 0.00 0.00 55.95 55.91 1nis s SER 604 Cb -0.21 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1nis s SER 604 CO 0.81 -0.33 -0.21 0.68 1.20 0.00 0.00 173.24 175.40 1nis s VAL 605 N 1.82 2.16 -0.17 4.45 -7.23 0.36 -4.81 120.40 116.98 1nis s VAL 605 Ca 0.14 -2.09 -0.28 0.00 -1.81 0.00 0.00 61.98 57.93 1nis s VAL 605 Cb -0.15 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.71 1nis s VAL 605 CO -0.17 -0.28 0.96 -0.60 -0.31 0.00 0.00 175.10 174.70 1nis s ARG 606 N -2.97 4.32 -0.27 4.82 3.52 -1.26 -0.69 118.95 126.41 1nis s ARG 606 Ca 0.21 1.25 -0.29 0.00 -0.13 0.00 0.00 55.73 56.77 1nis s ARG 606 Cb -0.06 -3.59 -0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1nis s ARG 606 CO 0.10 -0.44 1.33 1.21 -0.81 0.00 0.00 175.30 176.69 1nis s ASN 607 N 1.17 6.67 0.60 -2.12 3.84 -0.27 -4.91 114.94 119.92 1nis s ASN 607 Ca 0.43 1.32 0.31 0.00 0.21 0.00 0.00 52.86 55.13 1nis s ASN 607 Cb -0.16 -2.54 1.85 0.00 -0.55 0.00 0.00 41.25 39.85 1nis s ASN 607 CO 0.12 -1.06 2.22 0.00 -2.79 0.00 0.00 177.10 175.59 1nis h ALA 608 N 9.31 1.54 0.00 1.71 0.00 -1.94 -0.42 119.26 129.46 1nis h ALA 608 Ca -0.27 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1nis h ALA 608 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1nis h ALA 608 CO 1.02 -0.09 -0.91 0.28 0.00 0.00 0.00 179.25 179.55 1nis h VAL 609 N 0.00 0.93 0.00 0.00 2.07 -1.97 -3.40 116.25 113.89 1nis h VAL 609 Ca 0.02 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1nis h VAL 609 Cb 0.16 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1nis h VAL 609 CO -0.00 0.32 -0.74 0.71 0.02 0.00 0.00 177.57 177.88 1nis h THR 610 N -1.00 0.00 -2.73 2.57 1.35 -1.98 -3.47 112.91 107.65 1nis h THR 610 Ca -0.24 -0.83 -0.40 0.00 -0.55 0.00 0.00 66.41 64.39 1nis h THR 610 Cb 1.12 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.93 1nis h THR 610 CO -0.14 0.00 -0.51 0.00 -0.25 0.00 0.00 175.52 174.62 1nis n GLN 611 N -2.54 -1.60 -4.13 4.72 1.13 -0.17 -5.00 117.38 109.80 1nis n GLN 611 Ca 0.02 1.00 -0.35 0.00 -1.94 0.00 0.00 57.00 55.73 1nis n GLN 611 Cb 0.51 -5.60 -0.08 0.00 0.11 0.00 0.00 30.24 25.18 1nis n GLN 611 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1nis s GLU 612 N -4.90 3.17 0.08 -1.09 0.41 -1.26 -4.90 118.70 110.21 1nis s GLU 612 Ca 0.00 -0.33 -0.24 0.00 -0.41 0.00 0.00 54.97 53.99 1nis s GLU 612 Cb 0.00 -2.95 -0.06 0.00 -1.78 0.00 0.00 34.13 29.34 1nis s GLU 612 CO 0.00 0.71 0.72 -0.06 -0.49 0.00 0.00 175.26 176.14 1nis s PHE 613 N -1.03 3.79 0.29 1.61 0.40 -1.26 -1.11 117.98 120.67 1nis s PHE 613 Ca 0.17 1.46 -0.11 0.00 -0.60 0.00 0.00 56.93 57.85 1nis s PHE 613 Cb -0.12 -2.73 0.04 0.00 0.51 0.00 0.00 43.02 40.72 1nis s PHE 613 CO 0.06 0.40 0.58 0.41 0.70 0.00 0.00 175.22 177.37 1nis n GLY 614 N 2.08 1.28 3.75 4.36 0.00 0.13 -4.88 105.19 111.90 1nis n GLY 614 Ca -0.05 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1nis n GLY 614 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nis n PRO 615 N -0.39 2.35 -0.09 1.61 -0.02 -1.24 -0.48 135.00 136.73 1nis n PRO 615 Ca -0.06 0.83 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1nis n PRO 615 Cb 0.44 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 1nis n PRO 615 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1nis h VAL 616 N 2.57 1.13 -0.54 -1.45 2.07 -1.84 -1.67 116.25 116.52 1nis h VAL 616 Ca -0.49 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 66.79 1nis h VAL 616 Cb 1.26 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 1nis h VAL 616 CO 0.62 0.13 0.14 -0.65 0.02 0.00 0.00 177.57 177.83 1nis h PRO 617 N 0.39 0.28 -0.51 1.57 0.11 -1.87 -1.09 132.00 130.88 1nis h PRO 617 Ca 0.11 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 1nis h PRO 617 Cb 0.05 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1nis h PRO 617 CO -0.02 0.18 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.49 1nis h ASP 618 N 0.29 0.90 -0.56 -2.05 5.19 -1.91 -0.39 116.42 117.89 1nis h ASP 618 Ca 0.27 -0.32 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 1nis h ASP 618 Cb 0.36 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 1nis h ASP 618 CO -0.32 1.00 0.09 0.74 -3.12 0.00 0.00 179.24 177.63 1nis h THR 619 N 0.78 1.25 -0.64 0.35 2.02 -0.80 -0.64 112.91 115.23 1nis h THR 619 Ca 0.14 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 1nis h THR 619 Cb 0.56 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1nis h THR 619 CO 0.03 0.35 0.11 0.00 0.37 0.00 0.00 175.52 176.38 1nis h ALA 620 N 1.00 0.85 -0.10 6.16 0.00 -1.01 -0.28 119.26 125.88 1nis h ALA 620 Ca 0.17 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1nis h ALA 620 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nis h ALA 620 CO 0.01 0.61 -0.37 0.00 0.00 0.00 0.00 179.25 179.50 1nis h ARG 621 N 0.97 0.22 -0.37 0.00 3.08 -0.79 -0.88 114.38 116.61 1nis h ARG 621 Ca 0.20 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1nis h ARG 621 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1nis h ARG 621 CO 0.01 0.56 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.55 1nis h TYR 622 N 0.19 0.72 -0.72 3.04 5.03 -0.35 -0.60 116.97 124.29 1nis h TYR 622 Ca 0.02 -0.13 -0.03 0.00 2.58 0.00 0.00 58.73 61.18 1nis h TYR 622 Cb 0.74 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.80 1nis h TYR 622 CO 0.01 0.75 0.34 1.88 -1.32 0.00 0.00 178.16 179.82 1nis h TYR 623 N 0.48 1.04 -0.31 -3.82 0.05 -0.70 -1.70 116.97 112.02 1nis h TYR 623 Ca 0.11 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 1nis h TYR 623 Cb 0.47 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1nis h TYR 623 CO 0.04 0.77 0.12 -0.22 -1.05 0.00 0.00 178.16 177.83 1nis h LYS 624 N 1.00 0.46 -0.88 4.88 3.64 -1.02 0.17 116.57 124.82 1nis h LYS 624 Ca 0.24 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1nis h LYS 624 Cb 0.13 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1nis h LYS 624 CO -0.03 0.47 0.58 0.37 -2.27 0.00 0.00 179.45 178.56 1nis h GLN 625 N 0.35 0.97 -0.62 1.90 4.15 -0.96 -2.38 115.11 118.52 1nis h GLN 625 Ca 0.10 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1nis h GLN 625 Cb 0.18 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1nis h GLN 625 CO -0.01 0.64 0.00 0.72 -1.93 0.00 0.00 178.83 178.25 1nis n HIS 626 N -4.48 0.94 -1.43 3.99 8.25 -0.65 -4.95 115.22 116.89 1nis n HIS 626 Ca 0.13 -0.43 -0.05 0.00 -0.26 0.00 0.00 57.72 57.11 1nis n HIS 626 Cb 0.20 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1nis n HIS 626 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nis n GLY 627 N 1.33 0.58 3.55 -1.41 0.00 -0.61 -5.02 105.19 103.61 1nis n GLY 627 Ca 0.21 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1nis n GLY 627 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nis s ILE 628 N -2.20 5.22 0.07 -0.61 1.01 0.51 -5.01 121.20 120.19 1nis s ILE 628 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.45 1nis s ILE 628 Cb 0.00 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 1nis s ILE 628 CO 0.00 -0.00 0.75 -0.13 0.00 0.00 0.00 174.94 175.56 1nis s ARG 629 N 1.91 4.49 0.28 2.79 0.52 -1.26 -4.16 118.95 123.51 1nis s ARG 629 Ca 0.10 1.06 0.04 0.00 -0.52 0.00 0.00 55.73 56.41 1nis s ARG 629 Cb -0.17 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 31.91 1nis s ARG 629 CO 0.11 0.36 0.01 1.67 0.02 0.00 0.00 175.30 177.47 1nis s TRP 630 N -0.33 1.80 0.09 -0.53 1.48 -1.22 -1.01 118.94 119.21 1nis s TRP 630 Ca 0.37 -0.90 0.05 0.00 -1.06 0.00 0.00 56.10 54.56 1nis s TRP 630 Cb -0.21 -1.09 -0.03 0.00 -1.16 0.00 0.00 33.47 30.98 1nis s TRP 630 CO 0.23 0.04 -0.13 0.08 -4.06 0.00 0.00 176.95 173.11 1nis s VAL 631 N -3.30 1.09 -0.07 -0.66 1.01 -0.17 -0.84 120.40 117.46 1nis s VAL 631 Ca 0.32 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1nis s VAL 631 Cb 0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1nis s VAL 631 CO 0.12 -0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 174.05 1nis s VAL 632 N -1.72 3.10 -0.18 2.92 1.01 -1.03 -0.72 120.40 123.77 1nis s VAL 632 Ca 0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1nis s VAL 632 Cb -0.07 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1nis s VAL 632 CO 0.02 0.58 -0.07 -0.63 0.00 0.00 0.00 175.10 175.00 1nis s ILE 633 N -0.47 3.40 0.42 2.22 -1.09 -0.77 -1.09 121.20 123.82 1nis s ILE 633 Ca 0.06 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 1nis s ILE 633 Cb -0.12 -2.50 -0.03 0.00 -1.58 0.00 0.00 42.46 38.24 1nis s ILE 633 CO 0.02 0.47 0.10 -0.83 -1.23 0.00 0.00 174.94 173.46 1nis s GLY 634 N 0.88 2.64 0.00 6.18 0.00 0.32 -0.76 107.32 116.58 1nis s GLY 634 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1nis s GLY 634 CO 0.01 -1.91 0.00 1.34 0.00 0.00 0.00 173.10 172.54 1nis n ASP 635 N -1.23 0.00 -4.82 1.64 -0.08 -1.26 -3.00 116.55 107.80 1nis n ASP 635 Ca -0.08 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.85 1nis n ASP 635 Cb 0.66 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.05 1nis n ASP 635 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1nis s GLU 636 N 4.84 4.27 -1.48 -0.67 2.02 -1.26 -1.37 118.70 125.04 1nis s GLU 636 Ca 0.00 0.96 -0.08 0.00 0.02 0.00 0.00 54.97 55.87 1nis s GLU 636 Cb 0.00 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.63 1nis s GLU 636 CO 0.00 0.25 0.76 -1.71 0.02 0.00 0.00 175.26 174.58 1nis n ASN 637 N 0.24 -2.66 -4.72 -0.19 4.05 -0.96 -4.69 115.26 106.34 1nis n ASN 637 Ca 0.01 -0.88 -0.42 0.00 0.45 0.00 0.00 54.58 53.74 1nis n ASN 637 Cb 0.52 -3.54 -0.03 0.00 1.23 0.00 0.00 39.78 37.95 1nis n ASN 637 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1nis s TYR 638 N -3.54 3.02 0.00 1.20 5.04 -0.13 -2.37 117.35 120.57 1nis s TYR 638 Ca 0.37 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1nis s TYR 638 Cb -0.19 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1nis s TYR 638 CO 0.86 -3.64 0.00 0.41 -1.34 0.00 0.00 175.55 171.84 1nis n GLY 639 N 3.77 0.83 3.52 8.97 0.00 0.71 -1.59 105.19 121.39 1nis n GLY 639 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 1nis n GLY 639 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nis n GLU 640 N -2.35 0.68 0.00 1.61 2.13 -1.00 -4.20 120.64 117.51 1nis n GLU 640 Ca 0.00 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1nis n GLU 640 Cb 0.00 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1nis n GLU 640 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nis n GLY 641 N 1.82 0.19 3.58 8.31 0.00 -1.26 -1.20 105.19 116.63 1nis n GLY 641 Ca 0.16 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 1nis n GLY 641 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nis n SER 642 N 0.00 0.30 0.00 1.61 2.88 -1.26 -4.87 113.62 112.28 1nis n SER 642 Ca 0.00 0.78 0.14 0.00 -1.33 0.00 0.00 58.87 58.46 1nis n SER 642 Cb 0.00 -1.34 0.77 0.00 -0.75 0.00 0.00 64.21 62.89 1nis n SER 642 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nis n SER 643 N -0.52 0.00 -4.38 -3.46 3.41 -1.26 -4.74 113.62 102.66 1nis n SER 643 Ca 0.13 -0.47 -0.54 0.00 -0.26 0.00 0.00 58.87 57.74 1nis n SER 643 Cb 0.48 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 1nis n SER 643 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1nis n ARG 644 N -1.16 0.75 0.00 4.33 1.85 -1.26 -4.39 116.66 116.78 1nis n ARG 644 Ca 0.17 0.20 0.04 0.00 -1.00 0.00 0.00 57.85 57.26 1nis n ARG 644 Cb 0.17 -2.17 0.16 0.00 -1.05 0.00 0.00 32.46 29.57 1nis n ARG 644 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1nis n GLU 645 N 7.98 0.02 0.17 2.89 0.28 -1.26 -2.29 120.64 128.43 1nis n GLU 645 Ca 0.45 0.35 0.14 0.00 -0.16 0.00 0.00 57.16 57.94 1nis n GLU 645 Cb 0.15 -1.50 0.70 0.00 1.43 0.00 0.00 31.44 32.22 1nis n GLU 645 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1nis h HIS 646 N 0.00 0.00 0.00 -1.84 3.86 -1.98 0.29 115.15 115.48 1nis h HIS 646 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1nis h HIS 646 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1nis h HIS 646 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1nis h ARG 647 N 0.00 0.00 0.00 2.45 -0.00 -1.82 -0.76 114.38 114.25 1nis h ARG 647 Ca 0.09 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 59.25 1nis h ARG 647 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.30 1nis h ARG 647 CO -0.00 0.00 -2.23 0.00 0.00 0.00 0.00 179.97 177.74 1nis n ALA 648 N -1.83 1.54 -0.14 0.04 0.00 -0.05 -4.48 120.51 115.59 1nis n ALA 648 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 53.44 52.34 1nis n ALA 648 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 1nis n ALA 648 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1nis h LEU 649 N 0.00 0.98 0.17 0.00 3.38 -0.95 -3.02 115.31 115.87 1nis h LEU 649 Ca -0.48 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.06 1nis h LEU 649 Cb 1.85 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1nis h LEU 649 CO -0.05 1.19 -0.08 -0.33 0.09 0.00 0.00 178.44 179.26 1nis h GLU 650 N 0.78 -0.21 -0.11 1.13 5.08 -1.40 -0.35 114.58 119.50 1nis h GLU 650 Ca 0.09 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1nis h GLU 650 Cb 0.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1nis h GLU 650 CO 0.07 -0.12 0.03 -1.00 -1.00 0.00 0.00 179.01 176.99 1nis h PRO 651 N -0.25 0.15 -0.17 2.33 0.13 -1.78 -1.76 132.00 130.64 1nis h PRO 651 Ca -0.02 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1nis h PRO 651 Cb 0.20 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.29 1nis h PRO 651 CO 0.04 0.14 -0.11 -0.09 -0.23 0.00 0.00 178.00 177.75 1nis h ARG 652 N 0.15 0.37 -0.77 0.86 9.65 -1.35 0.93 114.38 124.23 1nis h ARG 652 Ca 0.04 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1nis h ARG 652 Cb 0.06 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 1nis h ARG 652 CO -0.00 0.70 0.50 0.35 2.80 0.00 0.00 179.97 184.32 1nis h PHE 653 N 0.04 0.95 -0.22 2.20 3.57 -0.72 -2.68 116.94 120.08 1nis h PHE 653 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1nis h PHE 653 Cb 0.60 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1nis h PHE 653 CO 0.07 0.59 0.00 1.28 -2.23 0.00 0.00 178.31 178.02 1nis n LEU 654 N -4.56 2.51 0.00 0.59 4.77 -0.69 -4.88 117.00 114.74 1nis n LEU 654 Ca 0.08 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1nis n LEU 654 Cb 0.03 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1nis n LEU 654 CO 0.36 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1nis n GLY 655 N 0.34 0.87 3.81 -0.72 0.00 -1.01 -4.47 105.19 104.01 1nis n GLY 655 Ca 0.10 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1nis n GLY 655 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nis s GLY 656 N -2.06 2.21 0.00 -0.02 0.00 0.30 -3.45 107.32 104.30 1nis s GLY 656 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1nis s GLY 656 CO 0.00 0.70 0.00 0.54 0.00 0.00 0.00 173.10 174.34 1nis n ARG 657 N -1.64 0.08 -3.69 2.90 3.00 -0.02 -4.58 116.66 112.71 1nis n ARG 657 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.81 1nis n ARG 657 Cb 0.53 -0.97 -0.06 0.00 0.00 0.00 0.00 32.46 31.96 1nis n ARG 657 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nis s ALA 658 N -1.95 -0.85 -0.09 7.54 0.00 -1.25 -2.44 121.76 122.72 1nis s ALA 658 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 1nis s ALA 658 Cb 0.00 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.62 1nis s ALA 658 CO 0.00 -0.52 -0.06 0.42 0.00 0.00 0.00 175.76 175.60 1nis s ILE 659 N -3.09 0.85 -0.17 0.00 -1.09 -0.85 -2.48 121.20 114.37 1nis s ILE 659 Ca -0.01 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 1nis s ILE 659 Cb 0.01 -0.89 0.01 0.00 -1.58 0.00 0.00 42.46 40.01 1nis s ILE 659 CO -0.07 0.33 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.15 1nis s ILE 660 N 1.62 2.19 0.27 2.92 1.01 -0.25 -1.34 121.20 127.62 1nis s ILE 660 Ca 0.02 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1nis s ILE 660 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1nis s ILE 660 CO -0.06 0.53 0.17 0.42 0.00 0.00 0.00 174.94 176.01 1nis s THR 661 N 1.18 0.16 0.09 2.92 -4.23 -0.53 -0.52 115.64 114.71 1nis s THR 661 Ca 0.02 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1nis s THR 661 Cb -0.14 -2.51 -0.21 0.00 1.34 0.00 0.00 72.50 70.98 1nis s THR 661 CO -0.09 0.00 1.22 0.11 -0.54 0.00 0.00 174.62 175.32 1nis h LYS 662 N 2.34 0.68 -3.08 3.99 1.57 -1.12 -2.14 116.57 118.81 1nis h LYS 662 Ca -0.33 -0.70 0.02 0.00 -1.87 0.00 0.00 60.65 57.77 1nis h LYS 662 Cb 1.25 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.67 1nis h LYS 662 CO 0.49 1.29 0.17 -1.54 -0.57 0.00 0.00 179.45 179.30 1nis s SER 663 N -7.24 -0.35 0.14 0.86 1.04 -1.17 -4.60 113.70 102.39 1nis s SER 663 Ca -0.09 -0.41 0.11 0.00 0.48 0.00 0.00 55.95 56.03 1nis s SER 663 Cb 0.07 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1nis s SER 663 CO 0.91 -1.17 -0.26 -0.36 0.98 0.00 0.00 173.24 173.35 1nis s PHE 664 N -3.86 2.26 0.55 5.02 0.08 -1.26 -0.96 117.98 119.81 1nis s PHE 664 Ca 0.08 -0.38 -0.15 0.00 0.12 0.00 0.00 56.93 56.60 1nis s PHE 664 Cb -0.03 -1.21 -0.06 0.00 -0.57 0.00 0.00 43.02 41.15 1nis s PHE 664 CO -0.01 0.35 1.01 0.00 -0.10 0.00 0.00 175.22 176.47 1nis s ALA 665 N -1.16 3.00 0.02 5.36 0.00 -0.62 -4.75 121.76 123.61 1nis s ALA 665 Ca 0.14 0.17 -0.25 0.00 0.00 0.00 0.00 51.96 52.02 1nis s ALA 665 Cb -0.10 -3.14 -0.18 0.00 0.00 0.00 0.00 23.12 19.71 1nis s ALA 665 CO 0.06 -0.45 1.41 -0.09 0.00 0.00 0.00 175.76 176.69 1nis h ARG 666 N 0.56 -0.12 -0.39 0.00 2.43 -1.91 -2.24 114.38 112.72 1nis h ARG 666 Ca -0.46 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.63 1nis h ARG 666 Cb 1.19 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1nis h ARG 666 CO 0.61 0.18 -0.13 0.82 -1.51 0.00 0.00 179.97 179.94 1nis h ILE 667 N -0.42 1.25 -0.43 1.20 2.04 -1.92 -1.73 117.51 117.51 1nis h ILE 667 Ca -0.01 -1.16 -0.13 0.00 1.00 0.00 0.00 64.86 64.56 1nis h ILE 667 Cb 0.35 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1nis h ILE 667 CO 0.02 0.39 -0.22 -0.74 0.00 0.00 0.00 178.15 177.60 1nis h HIS 668 N 0.64 1.06 -0.66 1.37 2.76 -1.79 0.01 115.15 118.53 1nis h HIS 668 Ca 0.11 -0.27 -0.02 0.00 -2.20 0.00 0.00 60.37 57.99 1nis h HIS 668 Cb 0.58 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 1nis h HIS 668 CO 0.03 1.06 0.34 1.49 -1.30 0.00 0.00 177.93 179.55 1nis h GLU 669 N 0.74 0.94 -0.53 5.26 4.81 -1.13 -0.01 114.58 124.68 1nis h GLU 669 Ca 0.09 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1nis h GLU 669 Cb 0.79 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1nis h GLU 669 CO 0.07 0.74 0.17 1.15 -0.73 0.00 0.00 179.01 180.40 1nis h THR 670 N 0.91 1.23 -0.71 0.32 2.02 -0.95 -2.59 112.91 113.14 1nis h THR 670 Ca 0.23 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1nis h THR 670 Cb 0.09 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1nis h THR 670 CO -0.03 0.29 0.33 0.78 0.37 0.00 0.00 175.52 177.26 1nis h ASN 671 N 0.72 0.92 -0.40 4.18 -0.26 -0.49 -1.16 115.58 119.10 1nis h ASN 671 Ca 0.17 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 1nis h ASN 671 Cb 0.28 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1nis h ASN 671 CO -0.01 0.79 0.10 -0.07 -1.06 0.00 0.00 177.43 177.19 1nis h LEU 672 N 1.01 0.60 -0.75 1.61 3.38 -0.82 -2.62 115.31 117.72 1nis h LEU 672 Ca 0.25 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1nis h LEU 672 Cb 0.12 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1nis h LEU 672 CO -0.03 0.67 0.49 0.11 0.09 0.00 0.00 178.44 179.77 1nis h LYS 673 N 0.50 0.95 -0.54 1.13 1.57 -1.18 -1.43 116.57 117.57 1nis h LYS 673 Ca 0.13 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1nis h LYS 673 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1nis h LYS 673 CO 0.00 0.63 0.36 0.87 -0.57 0.00 0.00 179.45 180.74 1nis h LYS 674 N 0.98 0.46 -0.63 3.15 1.79 -0.90 -2.20 116.57 119.22 1nis h LYS 674 Ca 0.28 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1nis h LYS 674 Cb -0.07 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.48 1nis h LYS 674 CO -0.08 0.30 0.00 1.04 -1.08 0.00 0.00 179.45 179.63 1nis n GLN 675 N -4.47 2.91 -0.79 3.15 1.13 -1.02 -0.49 117.38 117.80 1nis n GLN 675 Ca 0.07 -2.31 0.00 0.00 -1.94 0.00 0.00 57.00 52.82 1nis n GLN 675 Cb 0.26 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 28.95 1nis n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nis n GLY 676 N 1.21 0.56 3.99 1.08 0.00 -0.83 -4.69 105.19 106.52 1nis n GLY 676 Ca 0.21 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1nis n GLY 676 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nis s LEU 677 N 0.00 3.83 -0.50 0.99 1.43 -0.55 -4.89 118.68 118.98 1nis s LEU 677 Ca 0.00 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 1nis s LEU 677 Cb 0.00 -2.67 0.13 0.00 0.03 0.00 0.00 46.19 43.67 1nis s LEU 677 CO 0.00 -0.55 0.40 -0.76 0.23 0.00 0.00 176.35 175.67 1nis s LEU 678 N -4.23 5.87 -0.21 1.79 1.43 -1.02 -4.11 118.68 118.19 1nis s LEU 678 Ca 0.48 -1.90 -0.29 0.00 -1.03 0.00 0.00 54.13 51.39 1nis s LEU 678 Cb -0.09 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1nis s LEU 678 CO 0.31 -0.74 1.18 -2.16 0.23 0.00 0.00 176.35 175.18 1nis s PRO 679 N 1.40 4.20 0.06 1.29 0.04 -1.26 -2.00 135.00 138.72 1nis s PRO 679 Ca 0.05 1.49 0.06 0.00 0.04 0.00 0.00 61.00 62.63 1nis s PRO 679 Cb -0.27 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.51 1nis s PRO 679 CO 0.00 -0.74 -0.16 -0.51 0.04 0.00 0.00 177.00 175.64 1nis s LEU 680 N 3.50 2.21 0.17 -3.56 1.43 -0.45 -4.72 118.68 117.27 1nis s LEU 680 Ca 0.51 -0.54 0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1nis s LEU 680 Cb -0.18 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 1nis s LEU 680 CO 0.13 0.03 -0.22 0.42 0.23 0.00 0.00 176.35 176.93 1nis s THR 681 N -0.99 2.49 0.20 5.49 -4.23 0.39 -1.45 115.64 117.54 1nis s THR 681 Ca 0.02 -1.88 -0.31 0.00 -1.18 0.00 0.00 61.69 58.34 1nis s THR 681 Cb -0.09 -2.18 -0.11 0.00 1.34 0.00 0.00 72.50 71.47 1nis s THR 681 CO 0.02 -0.05 1.61 -0.36 -0.54 0.00 0.00 174.62 175.30 1nis s PHE 682 N -1.50 2.98 0.30 3.99 0.08 -0.80 -0.27 117.98 122.75 1nis s PHE 682 Ca 0.20 0.57 0.10 0.00 0.12 0.00 0.00 56.93 57.92 1nis s PHE 682 Cb -0.09 -4.01 0.46 0.00 -0.57 0.00 0.00 43.02 38.81 1nis s PHE 682 CO 0.10 -3.69 1.67 0.00 -0.10 0.00 0.00 175.22 173.20 1nis h ALA 683 N 6.48 1.09 -3.69 5.36 0.00 -1.70 -3.37 119.26 123.43 1nis h ALA 683 Ca -0.43 -0.49 -0.63 0.00 0.00 0.00 0.00 54.91 53.36 1nis h ALA 683 Cb 1.21 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 18.53 1nis h ALA 683 CO 0.91 0.67 -0.78 0.34 0.00 0.00 0.00 179.25 180.38 1nis s ASP 684 N -6.88 4.08 0.55 0.00 -1.08 -1.26 -5.01 116.67 107.07 1nis s ASP 684 Ca -0.02 -1.32 0.26 0.00 -0.52 0.00 0.00 52.55 50.95 1nis s ASP 684 Cb 0.13 -1.30 1.42 0.00 -1.46 0.00 0.00 42.92 41.72 1nis s ASP 684 CO 0.76 -0.24 1.77 1.55 0.52 0.00 0.00 175.17 179.53 1nis h PRO 685 N 7.89 0.00 0.00 4.34 0.13 -1.95 -0.25 132.00 142.16 1nis h PRO 685 Ca -0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1nis h PRO 685 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1nis h PRO 685 CO 0.43 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.01 1nis h ALA 686 N 1.40 1.12 0.00 -0.56 0.00 -1.95 -2.75 119.26 116.51 1nis h ALA 686 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nis h ALA 686 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nis h ALA 686 CO 0.00 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 1nis n ASP 687 N -3.49 0.39 0.21 0.00 8.00 -0.10 -1.10 116.55 120.45 1nis n ASP 687 Ca -0.01 0.68 0.10 0.00 0.71 0.00 0.00 54.79 56.28 1nis n ASP 687 Cb 0.36 -0.73 0.65 0.00 -0.02 0.00 0.00 41.12 41.37 1nis n ASP 687 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1nis h TYR 688 N 0.00 0.01 -0.00 1.24 5.03 -1.70 -1.84 116.97 119.70 1nis h TYR 688 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1nis h TYR 688 Cb 0.00 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1nis h TYR 688 CO 0.00 0.00 -0.14 0.09 -1.32 0.00 0.00 178.16 176.79 1nis n ASN 689 N -4.51 0.18 0.12 -2.11 3.02 -0.26 -3.20 115.26 108.50 1nis n ASN 689 Ca -0.01 0.16 0.13 0.00 -0.03 0.00 0.00 54.58 54.83 1nis n ASN 689 Cb 0.19 -0.25 0.30 0.00 -0.61 0.00 0.00 39.78 39.41 1nis n ASN 689 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1nis h LYS 690 N 0.05 0.00 -5.17 3.52 1.57 -1.48 -3.44 116.57 111.62 1nis h LYS 690 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1nis h LYS 690 Cb 0.47 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.60 1nis h LYS 690 CO 0.00 0.00 -0.60 0.42 -0.57 0.00 0.00 179.45 178.70 1nis s ILE 691 N -3.14 4.51 0.09 1.86 1.01 -1.19 -5.08 121.20 119.26 1nis s ILE 691 Ca 0.09 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1nis s ILE 691 Cb 0.11 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1nis s ILE 691 CO 0.64 0.42 -0.17 -1.00 0.00 0.00 0.00 174.94 174.84 1nis s HIS 692 N 0.79 2.58 0.58 3.97 3.76 -1.26 -5.01 115.29 120.71 1nis s HIS 692 Ca 0.03 -0.24 0.33 0.00 -0.15 0.00 0.00 55.06 55.03 1nis s HIS 692 Cb -0.14 -1.40 1.36 0.00 1.11 0.00 0.00 32.58 33.51 1nis s HIS 692 CO 0.02 0.35 1.65 -1.35 -0.85 0.00 0.00 174.74 174.57 1nis h PRO 693 N 3.99 0.00 0.00 8.40 0.11 -1.98 -0.92 132.00 141.61 1nis h PRO 693 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nis h PRO 693 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nis h PRO 693 CO 0.48 0.00 -0.43 1.55 -0.21 0.00 0.00 178.00 179.39 1nis n VAL 694 N -3.70 0.19 -1.84 3.15 3.14 -1.26 -4.55 118.33 113.46 1nis n VAL 694 Ca 0.21 -0.13 -0.33 0.00 -2.96 0.00 0.00 64.34 61.13 1nis n VAL 694 Cb 1.23 -0.09 0.03 0.00 -1.06 0.00 0.00 33.84 33.95 1nis n VAL 694 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1nis s ASP 695 N -3.62 5.42 0.16 6.55 1.01 -0.35 -4.77 116.67 121.07 1nis s ASP 695 Ca 0.10 1.86 0.09 0.00 0.71 0.00 0.00 52.55 55.30 1nis s ASP 695 Cb 0.16 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1nis s ASP 695 CO 0.67 -1.42 -0.10 -0.54 0.21 0.00 0.00 175.17 173.99 1nis s LYS 696 N -4.24 2.05 0.04 8.23 -0.14 -0.98 -4.31 119.74 120.39 1nis s LYS 696 Ca 0.64 -1.22 0.06 0.00 -1.36 0.00 0.00 55.97 54.09 1nis s LYS 696 Cb -0.17 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 1nis s LYS 696 CO 0.42 0.45 -0.18 -0.51 -0.76 0.00 0.00 175.35 174.77 1nis s LEU 697 N -2.67 2.17 -0.13 3.17 1.43 -0.75 -0.79 118.68 121.11 1nis s LEU 697 Ca 0.24 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 1nis s LEU 697 Cb -0.09 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.31 1nis s LEU 697 CO 0.14 0.11 -0.20 -0.89 0.23 0.00 0.00 176.35 175.74 1nis s THR 698 N -0.81 1.91 -0.26 5.49 2.01 -0.72 -0.46 115.64 122.81 1nis s THR 698 Ca 0.05 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 1nis s THR 698 Cb -0.08 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1nis s THR 698 CO 0.02 0.52 0.13 -0.63 -0.69 0.00 0.00 174.62 173.96 1nis s ILE 699 N 0.82 4.83 0.19 1.82 -1.09 0.05 -0.76 121.20 127.05 1nis s ILE 699 Ca -0.08 0.00 0.10 0.00 -2.23 0.00 0.00 60.65 58.45 1nis s ILE 699 Cb -0.16 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1nis s ILE 699 CO -0.01 0.31 -0.17 -1.10 -1.23 0.00 0.00 174.94 172.74 1nis s GLN 700 N 1.55 1.78 0.00 2.79 -0.21 -0.14 -2.14 119.66 123.28 1nis s GLN 700 Ca 0.06 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.04 1nis s GLN 700 Cb -0.15 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.87 1nis s GLN 700 CO 0.07 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 1nis n GLY 701 N 0.15 0.93 0.25 3.09 0.00 -1.26 -2.81 105.19 105.54 1nis n GLY 701 Ca -0.12 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1nis n GLY 701 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nis h LEU 702 N 0.00 0.00 -0.99 0.99 -0.00 -1.91 -2.95 115.31 110.45 1nis h LEU 702 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1nis h LEU 702 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1nis h LEU 702 CO 0.00 0.14 -0.37 0.11 -0.00 0.00 0.00 178.44 178.31 1nis h LYS 703 N 0.00 0.25 -1.39 1.13 6.56 -1.92 -2.79 116.57 118.41 1nis h LYS 703 Ca -0.00 -0.11 -0.57 0.00 -1.06 0.00 0.00 60.65 58.91 1nis h LYS 703 Cb 0.60 -0.01 -0.42 0.00 -0.57 0.00 0.00 32.23 31.84 1nis h LYS 703 CO 0.02 0.59 -0.76 -0.40 -2.06 0.00 0.00 179.45 176.84 1nis n ASP 704 N -4.06 4.59 -4.71 0.86 5.68 -1.13 -5.04 116.55 112.75 1nis n ASP 704 Ca -0.01 -3.67 -0.42 0.00 -0.50 0.00 0.00 54.79 50.18 1nis n ASP 704 Cb 0.45 -0.45 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1nis n ASP 704 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1nis s PHE 705 N -3.53 2.62 -0.07 2.11 5.36 -1.05 -4.99 117.98 118.43 1nis s PHE 705 Ca 0.47 0.20 -0.17 0.00 -0.96 0.00 0.00 56.93 56.47 1nis s PHE 705 Cb 0.40 -4.16 0.04 0.00 -0.34 0.00 0.00 43.02 38.96 1nis s PHE 705 CO -0.15 -4.55 0.39 0.00 -1.46 0.00 0.00 175.22 169.45 1nis s ALA 706 N 1.75 -1.00 0.05 11.12 0.00 -1.26 -5.09 121.76 127.33 1nis s ALA 706 Ca 0.77 0.74 -0.36 0.00 0.00 0.00 0.00 51.96 53.11 1nis s ALA 706 Cb -0.49 -0.18 -0.16 0.00 0.00 0.00 0.00 23.12 22.29 1nis s ALA 706 CO 0.34 -0.25 1.45 -2.30 0.00 0.00 0.00 175.76 174.99 1nis n PRO 707 N 1.74 1.36 -0.08 0.00 -0.02 -1.26 -1.79 135.00 134.95 1nis n PRO 707 Ca -0.18 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1nis n PRO 707 Cb 0.56 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1nis n PRO 707 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nis n GLY 708 N 2.93 2.82 3.65 -1.23 0.00 -1.26 -4.99 105.19 107.11 1nis n GLY 708 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1nis n GLY 708 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nis s LYS 709 N -0.00 4.08 0.82 1.61 2.20 -0.74 -5.06 119.74 122.65 1nis s LYS 709 Ca 0.00 -0.13 -0.10 0.00 -0.36 0.00 0.00 55.97 55.37 1nis s LYS 709 Cb 0.00 -3.55 0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1nis s LYS 709 CO 0.00 -0.00 1.11 -1.25 -0.36 0.00 0.00 175.35 174.85 1nis s PRO 710 N 1.24 1.84 0.06 4.03 0.04 -1.26 -4.59 135.00 136.36 1nis s PRO 710 Ca 0.11 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1nis s PRO 710 Cb -0.14 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1nis s PRO 710 CO 0.06 -1.98 0.06 -0.51 0.04 0.00 0.00 177.00 174.67 1nis s LEU 711 N -6.13 3.74 -0.02 -3.56 1.43 -0.02 -4.90 118.68 109.22 1nis s LEU 711 Ca 0.63 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1nis s LEU 711 Cb -0.19 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1nis s LEU 711 CO 0.56 0.20 0.21 0.42 0.23 0.00 0.00 176.35 177.97 1nis s THR 712 N -1.31 5.39 -0.11 5.49 -4.23 -1.12 -0.42 115.64 119.33 1nis s THR 712 Ca 0.27 0.02 -0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1nis s THR 712 Cb -0.12 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.21 1nis s THR 712 CO 0.19 0.38 -0.09 0.00 -0.54 0.00 0.00 174.62 174.56 1nis s ILE 714 N 1.56 5.07 -0.25 0.00 1.09 0.06 -0.94 121.20 127.79 1nis s ILE 714 Ca 0.02 0.11 -0.25 0.00 -1.10 0.00 0.00 60.65 59.43 1nis s ILE 714 Cb -0.13 -3.94 -0.00 0.00 -1.06 0.00 0.00 42.46 37.33 1nis s ILE 714 CO -0.07 -0.22 0.86 -0.63 -0.10 0.00 0.00 174.94 174.78 1nis s ILE 715 N 2.23 4.80 -0.47 2.92 1.01 0.12 -1.75 121.20 130.07 1nis s ILE 715 Ca 0.15 1.61 -0.16 0.00 0.00 0.00 0.00 60.65 62.26 1nis s ILE 715 Cb -0.16 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.23 1nis s ILE 715 CO 0.13 -0.11 0.40 -0.54 0.00 0.00 0.00 174.94 174.82 1nis s LYS 716 N 2.93 2.99 0.45 2.79 1.02 0.03 -1.38 119.74 128.56 1nis s LYS 716 Ca 0.36 -1.32 -0.17 0.00 0.02 0.00 0.00 55.97 54.87 1nis s LYS 716 Cb -0.15 -4.13 -0.09 0.00 -0.52 0.00 0.00 37.83 32.95 1nis s LYS 716 CO 0.08 -1.03 0.91 -1.01 -0.92 0.00 0.00 175.35 173.38 1nis s HIS 717 N 1.68 3.41 0.26 3.18 3.76 0.58 -2.31 115.29 125.85 1nis s HIS 717 Ca 0.05 1.41 -0.04 0.00 -0.15 0.00 0.00 55.06 56.32 1nis s HIS 717 Cb -0.24 -2.72 0.31 0.00 1.11 0.00 0.00 32.58 31.04 1nis s HIS 717 CO 0.07 -0.20 1.84 -1.35 -0.85 0.00 0.00 174.74 174.26 1nis h PRO 718 N 1.41 1.05 0.00 8.40 0.11 -1.86 -0.89 132.00 140.22 1nis h PRO 718 Ca -0.48 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1nis h PRO 718 Cb 1.18 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1nis h PRO 718 CO 0.62 0.83 0.00 0.27 -0.21 0.00 0.00 178.00 179.51 1nis n ASN 719 N -4.31 0.00 0.00 -2.05 0.23 -1.26 -4.83 115.26 103.04 1nis n ASN 719 Ca 0.07 -0.72 0.00 0.00 -0.53 0.00 0.00 54.58 53.40 1nis n ASN 719 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1nis n ASN 719 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nis n GLY 720 N -0.01 2.19 3.77 4.83 0.00 -0.34 -5.06 105.19 110.58 1nis n GLY 720 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1nis n GLY 720 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nis s THR 721 N -2.44 2.88 0.10 2.61 2.01 -1.25 -4.81 115.64 114.73 1nis s THR 721 Ca 0.00 0.72 0.09 0.00 0.31 0.00 0.00 61.69 62.81 1nis s THR 721 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1nis s THR 721 CO 0.00 0.05 -0.22 -1.10 -0.69 0.00 0.00 174.62 172.65 1nis s GLN 722 N -2.46 1.26 -0.02 4.92 -0.21 -1.26 -0.31 119.66 121.59 1nis s GLN 722 Ca 0.60 -1.16 0.02 0.00 0.02 0.00 0.00 55.36 54.84 1nis s GLN 722 Cb -0.33 -1.55 0.01 0.00 1.00 0.00 0.00 33.01 32.14 1nis s GLN 722 CO 0.41 0.37 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.69 1nis s GLU 723 N -1.78 0.63 -0.12 2.91 2.02 -0.48 -4.96 118.70 116.92 1nis s GLU 723 Ca 0.09 -0.18 -0.05 0.00 0.02 0.00 0.00 54.97 54.85 1nis s GLU 723 Cb -0.10 -0.63 -0.04 0.00 0.10 0.00 0.00 34.13 33.46 1nis s GLU 723 CO 0.04 0.05 0.05 0.99 0.02 0.00 0.00 175.26 176.41 1nis s THR 724 N 0.28 4.72 0.19 3.63 2.01 -1.26 0.16 115.64 125.37 1nis s THR 724 Ca -0.03 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1nis s THR 724 Cb -0.07 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1nis s THR 724 CO -0.00 0.57 0.05 0.27 -0.69 0.00 0.00 174.62 174.82 1nis s ILE 725 N -0.60 0.46 0.04 1.82 -4.36 -0.12 -4.98 121.20 113.46 1nis s ILE 725 Ca 0.11 -1.97 0.06 0.00 -0.26 0.00 0.00 60.65 58.59 1nis s ILE 725 Cb -0.12 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 1nis s ILE 725 CO 0.02 -0.32 -0.16 -0.76 0.24 0.00 0.00 174.94 173.96 1nis s LEU 726 N -3.18 2.72 -0.06 0.37 1.43 -1.26 -0.78 118.68 117.92 1nis s LEU 726 Ca 0.28 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1nis s LEU 726 Cb 0.07 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1nis s LEU 726 CO 0.06 0.26 -0.17 -0.76 0.23 0.00 0.00 176.35 175.98 1nis s LEU 727 N -1.46 1.85 0.38 1.79 1.43 0.44 -1.81 118.68 121.28 1nis s LEU 727 Ca 0.15 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1nis s LEU 727 Cb -0.11 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1nis s LEU 727 CO 0.06 0.11 0.59 0.20 0.23 0.00 0.00 176.35 177.53 1nis s ASN 728 N 0.33 6.18 0.09 2.29 0.01 0.63 -0.84 114.94 123.63 1nis s ASN 728 Ca -0.11 0.42 -0.10 0.00 -0.71 0.00 0.00 52.86 52.36 1nis s ASN 728 Cb -0.14 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.61 1nis s ASN 728 CO 0.04 -0.40 0.22 -1.38 -1.51 0.00 0.00 177.10 174.07 1nis s HIS 729 N -2.39 0.08 -0.32 2.20 -3.43 -1.26 -0.46 115.29 109.72 1nis s HIS 729 Ca 0.42 -0.47 0.09 0.00 -0.80 0.00 0.00 55.06 54.30 1nis s HIS 729 Cb -0.10 -0.01 0.57 0.00 -1.43 0.00 0.00 32.58 31.61 1nis s HIS 729 CO 0.37 -0.55 1.59 0.25 -2.00 0.00 0.00 174.74 174.40 1nis n THR 730 N 0.03 2.70 -2.41 -5.38 -2.24 -1.26 -4.67 114.28 101.05 1nis n THR 730 Ca -0.16 -2.37 -0.41 0.00 -2.27 0.00 0.00 64.05 58.84 1nis n THR 730 Cb 0.62 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 1nis n THR 730 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1nis s PHE 731 N -3.19 3.47 0.07 4.78 0.40 -1.26 -5.03 117.98 117.21 1nis s PHE 731 Ca 0.48 1.50 0.01 0.00 -0.60 0.00 0.00 56.93 58.32 1nis s PHE 731 Cb 0.42 -3.39 0.01 0.00 0.51 0.00 0.00 43.02 40.57 1nis s PHE 731 CO 0.04 -1.01 0.08 0.27 0.70 0.00 0.00 175.22 175.30 1nis n ASN 732 N 2.19 0.51 0.10 1.36 6.94 -1.26 -4.11 115.26 120.98 1nis n ASN 732 Ca 0.03 -1.19 -0.04 0.00 -0.02 0.00 0.00 54.58 53.36 1nis n ASN 732 Cb 0.45 -0.04 0.12 0.00 -2.36 0.00 0.00 39.78 37.95 1nis n ASN 732 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1nis h GLU 733 N 0.00 0.16 -0.48 -3.83 4.39 -2.00 -2.34 114.58 110.47 1nis h GLU 733 Ca -0.03 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.57 1nis h GLU 733 Cb 0.14 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1nis h GLU 733 CO 0.05 0.74 0.29 1.15 -1.16 0.00 0.00 179.01 180.09 1nis h THR 734 N 0.11 1.06 -0.04 1.13 2.02 -2.00 -2.44 112.91 112.75 1nis h THR 734 Ca -0.01 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 66.81 1nis h THR 734 Cb 1.15 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1nis h THR 734 CO 0.09 0.11 -0.69 1.56 0.37 0.00 0.00 175.52 176.96 1nis h GLN 735 N 0.59 0.18 -0.35 6.66 4.20 -1.87 -2.92 115.11 121.61 1nis h GLN 735 Ca 0.19 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1nis h GLN 735 Cb -0.00 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1nis h GLN 735 CO -0.08 0.80 -0.09 0.82 -0.67 0.00 0.00 178.83 179.62 1nis h ILE 736 N 0.12 1.23 -0.92 2.54 2.04 -1.14 -1.54 117.51 119.86 1nis h ILE 736 Ca -0.02 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.86 1nis h ILE 736 Cb 1.24 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1nis h ILE 736 CO 0.10 0.34 0.60 -0.33 0.00 0.00 0.00 178.15 178.87 1nis h GLU 737 N 0.55 1.13 -0.06 2.37 4.39 -1.26 -0.44 114.58 121.26 1nis h GLU 737 Ca 0.10 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.76 1nis h GLU 737 Cb 0.48 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1nis h GLU 737 CO 0.03 0.75 -0.06 -1.49 -1.16 0.00 0.00 179.01 177.07 1nis h TRP 738 N 1.16 -0.15 -0.08 4.33 6.55 -1.19 -1.62 115.95 124.95 1nis h TRP 738 Ca 0.36 0.01 0.02 0.00 0.95 0.00 0.00 58.89 60.24 1nis h TRP 738 Cb 0.00 0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.35 1nis h TRP 738 CO -0.00 -0.10 -0.07 0.35 -1.05 0.00 0.00 178.44 177.57 1nis h PHE 739 N -0.08 -0.17 -0.92 0.49 3.57 -1.19 -1.42 116.94 117.22 1nis h PHE 739 Ca 0.05 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1nis h PHE 739 Cb 0.15 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1nis h PHE 739 CO -0.16 -0.11 0.56 0.00 -2.23 0.00 0.00 178.31 176.37 1nis h ARG 740 N -0.08 1.24 0.00 1.11 3.08 -0.93 -2.27 114.38 116.53 1nis h ARG 740 Ca 0.06 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1nis h ARG 740 Cb 0.17 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1nis h ARG 740 CO -0.13 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.63 1nis n ALA 741 N -2.40 2.00 0.00 0.04 0.00 -0.62 -1.40 120.51 118.12 1nis n ALA 741 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1nis n ALA 741 Cb 0.05 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1nis n ALA 741 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nis n GLY 742 N 0.74 3.34 0.00 0.00 0.00 -0.78 -4.17 105.19 104.32 1nis n GLY 742 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1nis n GLY 742 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nis n SER 743 N 0.00 0.00 -0.18 1.61 3.41 -0.61 -3.87 113.62 113.99 1nis n SER 743 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1nis n SER 743 Cb 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.12 1nis n SER 743 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nis h ALA 744 N 0.00 1.21 -0.60 7.33 0.00 -0.96 -2.31 119.26 123.93 1nis h ALA 744 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1nis h ALA 744 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1nis h ALA 744 CO 0.00 0.56 0.23 1.25 0.00 0.00 0.00 179.25 181.29 1nis h LEU 745 N 0.91 0.81 -0.73 0.00 5.85 -1.95 -0.90 115.31 119.29 1nis h LEU 745 Ca 0.21 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1nis h LEU 745 Cb 0.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1nis h LEU 745 CO -0.01 0.73 -0.25 0.78 -0.34 0.00 0.00 178.44 179.35 1nis h ASN 746 N 0.87 0.71 -0.31 1.25 2.35 -1.75 -0.94 115.58 117.77 1nis h ASN 746 Ca 0.20 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1nis h ASN 746 Cb 0.19 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1nis h ASN 746 CO -0.02 0.94 0.02 -0.09 -1.65 0.00 0.00 177.43 176.63 1nis h ARG 747 N 0.61 0.54 -0.32 0.81 1.12 -1.12 -0.39 114.38 115.64 1nis h ARG 747 Ca 0.08 -0.16 -0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1nis h ARG 747 Cb 0.74 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.63 1nis h ARG 747 CO 0.06 0.67 0.18 1.98 -3.11 0.00 0.00 179.97 179.75 1nis h MET 748 N 0.35 0.44 0.00 0.20 4.05 -0.72 -1.30 114.93 117.95 1nis h MET 748 Ca 0.09 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1nis h MET 748 Cb 0.41 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1nis h MET 748 CO 0.01 0.36 -0.12 0.87 0.23 0.00 0.00 176.91 178.26 1nis h LYS 749 N 0.40 0.00 -0.43 0.39 1.57 -1.09 -1.75 116.57 115.66 1nis h LYS 749 Ca 0.11 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 1nis h LYS 749 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1nis h LYS 749 CO -0.02 0.12 -0.21 0.93 -0.57 0.00 0.00 179.45 179.70 1nis h GLU 750 N 0.00 0.91 0.00 3.15 5.08 0.05 -3.15 114.58 120.62 1nis h GLU 750 Ca -0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1nis h GLU 750 Cb 0.43 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nis h GLU 750 CO 0.02 1.05 0.00 1.28 -1.00 0.00 0.00 179.01 180.36 1nis n LEU 751 N -4.18 0.40 -2.37 1.33 4.77 -0.67 -2.56 117.00 113.72 1nis n LEU 751 Ca -0.01 0.64 -0.22 0.00 -0.03 0.00 0.00 56.01 56.39 1nis n LEU 751 Cb 0.45 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1nis n LEU 751 CO 0.46 -0.63 1.68 0.00 -1.33 0.00 0.00 177.39 177.57 1nis n GLN 752 N -1.99 2.38 -0.89 3.23 6.02 -1.12 -4.84 117.38 120.16 1nis n GLN 752 Ca 0.01 -1.88 -0.03 0.00 -0.01 0.00 0.00 57.00 55.08 1nis n GLN 752 Cb 0.11 -2.13 -0.01 0.00 1.02 0.00 0.00 30.24 29.23 1nis n GLN 752 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nis n GLN 753 N 1.59 -1.33 0.00 -1.09 10.64 -1.06 -5.06 117.38 121.07 1nis n GLN 753 Ca 0.48 0.22 0.00 0.00 -1.83 0.00 0.00 57.00 55.87 1nis n GLN 753 Cb 0.67 -4.00 0.00 0.00 -0.86 0.00 0.00 30.24 26.05 1nis n GLN 753 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59