#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d45 n PRO 900 N 0.00 -2.90 -2.68 1.61 -0.02 -1.26 -4.94 135.00 124.81 3d45 n PRO 900 Ca 0.00 -0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 60.26 3d45 n PRO 900 Cb 0.00 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 3d45 n PRO 900 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3d45 s MET 1 N -4.03 4.51 -0.78 -0.52 -1.94 -0.70 -4.84 119.30 110.99 3d45 s MET 1 Ca 0.54 1.45 -0.21 0.00 -1.71 0.00 0.00 55.69 55.76 3d45 s MET 1 Cb -0.12 -2.82 0.10 0.00 2.01 0.00 0.00 34.83 34.00 3d45 s MET 1 CO 0.52 0.19 1.02 -1.21 -0.01 0.00 0.00 175.02 175.53 3d45 s GLU 2 N -2.02 3.33 -0.42 2.03 0.41 -1.26 -0.17 118.70 120.61 3d45 s GLU 2 Ca 0.51 -1.29 -0.20 0.00 -0.41 0.00 0.00 54.97 53.57 3d45 s GLU 2 Cb -0.22 -4.56 0.02 0.00 -1.78 0.00 0.00 34.13 27.59 3d45 s GLU 2 CO 0.27 -1.78 0.61 0.42 -0.49 0.00 0.00 175.26 174.29 3d45 s ILE 3 N 3.35 4.88 0.33 -1.63 -1.09 -0.48 -4.99 121.20 121.57 3d45 s ILE 3 Ca 0.26 0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.86 3d45 s ILE 3 Cb -0.12 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.63 3d45 s ILE 3 CO 0.01 -0.50 0.15 2.30 -1.23 0.00 0.00 174.94 175.67 3d45 n ILE 4 N 5.74 0.00 0.20 2.92 -5.35 -1.26 -2.33 119.36 119.28 3d45 n ILE 4 Ca -0.02 -1.41 -0.16 0.00 -0.27 0.00 0.00 62.75 60.89 3d45 n ILE 4 Cb 0.48 -0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.29 3d45 n ILE 4 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3d45 h ARG 5 N 0.00 -0.79 -0.04 6.28 2.43 -1.08 -1.43 114.38 119.75 3d45 h ARG 5 Ca -0.24 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3d45 h ARG 5 Cb 0.79 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3d45 h ARG 5 CO 0.38 -0.53 0.10 0.66 -1.51 0.00 0.00 179.97 179.07 3d45 h SER 6 N -0.82 0.00 0.00 -3.80 4.64 -1.93 -2.50 113.55 109.14 3d45 h SER 6 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3d45 h SER 6 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3d45 h SER 6 CO -0.13 0.00 -0.00 -0.46 -0.87 0.00 0.00 176.83 175.37 3d45 n ASN 7 N -3.38 2.16 0.28 4.97 6.94 -1.12 -4.80 115.26 120.32 3d45 n ASN 7 Ca -0.02 -2.53 -0.13 0.00 -0.02 0.00 0.00 54.58 51.88 3d45 n ASN 7 Cb 0.18 -0.21 -0.07 0.00 -2.36 0.00 0.00 39.78 37.33 3d45 n ASN 7 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3d45 h PHE 8 N 0.00 -0.71 -0.43 -2.53 3.57 -0.78 -3.03 116.94 113.03 3d45 h PHE 8 Ca 0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3d45 h PHE 8 Cb 0.75 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 3d45 h PHE 8 CO 0.00 -0.39 0.17 0.87 -2.23 0.00 0.00 178.31 176.73 3d45 h LYS 9 N -1.13 0.35 0.00 1.11 1.57 -1.87 0.96 116.57 117.56 3d45 h LYS 9 Ca -0.08 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3d45 h LYS 9 Cb 0.63 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3d45 h LYS 9 CO 0.13 0.23 -0.21 -0.84 -0.57 0.00 0.00 179.45 178.19 3d45 h ILE 10 N 0.36 0.69 0.00 1.86 3.07 -1.90 -3.11 117.51 118.48 3d45 h ILE 10 Ca 0.20 -0.88 -0.24 0.00 1.55 0.00 0.00 64.86 65.49 3d45 h ILE 10 Cb 0.16 1.55 -0.04 0.00 -0.27 0.00 0.00 36.82 38.22 3d45 h ILE 10 CO -0.18 0.20 -1.57 0.78 -1.05 0.00 0.00 178.15 176.33 3d45 h ASN 11 N 0.00 0.00 -0.89 2.16 2.35 -1.02 -3.42 115.58 114.76 3d45 h ASN 11 Ca -0.00 0.00 0.30 0.00 -0.55 0.00 0.00 56.30 56.04 3d45 h ASN 11 Cb 0.54 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.74 3d45 h ASN 11 CO 0.03 0.83 0.20 -0.11 -1.65 0.00 0.00 177.43 176.73 3d45 n LEU 12 N -2.99 0.05 -0.31 1.61 7.94 0.18 -0.75 117.00 122.74 3d45 n LEU 12 Ca -0.14 1.50 -0.03 0.00 -1.11 0.00 0.00 56.01 56.24 3d45 n LEU 12 Cb 0.97 -0.62 0.09 0.00 0.53 0.00 0.00 43.42 44.38 3d45 n LEU 12 CO 0.44 -1.58 1.22 1.12 -1.11 0.00 0.00 177.39 177.48 3d45 h HIS 13 N 0.00 1.05 -0.96 1.96 2.07 -1.81 -1.06 115.15 116.40 3d45 h HIS 13 Ca 0.62 0.03 0.14 0.00 -2.85 0.00 0.00 60.37 58.31 3d45 h HIS 13 Cb 1.46 -0.35 -0.08 0.00 2.57 0.00 0.00 27.41 31.00 3d45 h HIS 13 CO -0.28 0.65 0.61 0.87 -3.07 0.00 0.00 177.93 176.70 3d45 h LYS 14 N 1.12 0.81 0.36 5.12 1.57 -1.27 -1.11 116.57 123.18 3d45 h LYS 14 Ca 0.32 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3d45 h LYS 14 Cb -0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.03 3d45 h LYS 14 CO -0.08 0.54 -0.17 0.28 -0.57 0.00 0.00 179.45 179.45 3d45 h VAL 15 N 0.84 0.39 -0.81 0.50 2.07 -1.26 -2.49 116.25 115.50 3d45 h VAL 15 Ca 0.49 -0.70 0.18 0.00 0.82 0.00 0.00 66.70 67.49 3d45 h VAL 15 Cb 0.65 0.62 -0.15 0.00 -1.52 0.00 0.00 31.29 30.89 3d45 h VAL 15 CO -0.26 0.09 -0.09 1.88 0.02 0.00 0.00 177.57 179.21 3d45 h TYR 16 N -0.99 -0.22 -0.48 1.57 0.99 -1.10 -0.92 116.97 115.82 3d45 h TYR 16 Ca -0.05 0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3d45 h TYR 16 Cb 0.51 0.22 -0.02 0.00 1.00 0.00 0.00 36.73 38.44 3d45 h TYR 16 CO 0.03 -0.31 0.31 0.37 -0.00 0.00 0.00 178.16 178.55 3d45 h GLN 17 N 0.04 0.63 -0.33 4.88 4.15 -1.22 0.15 115.11 123.42 3d45 h GLN 17 Ca 0.42 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 3d45 h GLN 17 Cb 0.73 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 3d45 h GLN 17 CO -0.77 0.44 0.16 0.00 -1.93 0.00 0.00 178.83 176.73 3d45 h ALA 18 N 1.16 0.43 -0.68 3.38 0.00 -0.81 0.32 119.26 123.06 3d45 h ALA 18 Ca 0.17 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3d45 h ALA 18 Cb -0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 3d45 h ALA 18 CO -0.04 -0.02 0.23 0.82 0.00 0.00 0.00 179.25 180.25 3d45 h ILE 19 N 0.40 0.67 -0.06 0.00 2.04 -0.97 -0.26 117.51 119.34 3d45 h ILE 19 Ca 0.11 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 3d45 h ILE 19 Cb 0.11 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3d45 h ILE 19 CO -0.02 0.07 -0.64 -0.08 0.00 0.00 0.00 178.15 177.49 3d45 h GLU 20 N 0.38 0.22 -0.03 2.37 4.81 -0.10 -3.05 114.58 119.17 3d45 h GLU 20 Ca 0.36 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3d45 h GLU 20 Cb 0.53 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3d45 h GLU 20 CO -0.38 0.78 -0.15 -0.85 -0.73 0.00 0.00 179.01 177.68 3d45 n GLU 21 N -3.84 1.99 -2.99 1.92 0.28 0.11 -5.01 120.64 113.10 3d45 n GLU 21 Ca -0.02 -1.64 -0.32 0.00 -0.16 0.00 0.00 57.16 55.01 3d45 n GLU 21 Cb 0.64 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.99 3d45 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3d45 s ALA 22 N -2.14 3.30 -0.12 -1.84 0.00 -0.13 -4.77 121.76 116.06 3d45 s ALA 22 Ca 0.25 -0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 3d45 s ALA 22 Cb 0.19 -2.79 -0.26 0.00 0.00 0.00 0.00 23.12 20.27 3d45 s ALA 22 CO 0.38 0.18 0.83 -0.44 0.00 0.00 0.00 175.76 176.71 3d45 h ASP 23 N 1.84 0.02 -5.22 0.00 5.19 -0.00 -3.48 116.42 114.77 3d45 h ASP 23 Ca -0.48 -0.95 -0.10 0.00 -0.62 0.00 0.00 57.03 54.89 3d45 h ASP 23 Cb 1.18 -0.01 -0.13 0.00 0.18 0.00 0.00 39.33 40.55 3d45 h ASP 23 CO 0.64 0.97 -0.38 0.72 -3.12 0.00 0.00 179.24 178.08 3d45 s PHE 24 N -2.43 0.30 0.19 4.55 -0.12 -1.10 -4.36 117.98 115.01 3d45 s PHE 24 Ca -0.18 -0.71 0.10 0.00 -0.05 0.00 0.00 56.93 56.08 3d45 s PHE 24 Cb -0.02 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 3d45 s PHE 24 CO 0.70 -0.61 -0.13 -0.06 -0.05 0.00 0.00 175.22 175.07 3d45 s PHE 25 N -3.92 2.54 -0.08 3.49 0.40 -0.64 -0.41 117.98 119.36 3d45 s PHE 25 Ca 0.11 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 3d45 s PHE 25 Cb 0.04 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.32 3d45 s PHE 25 CO -0.06 0.52 -0.11 0.00 0.70 0.00 0.00 175.22 176.27 3d45 s ALA 26 N -1.75 2.78 0.28 5.36 0.00 0.13 -1.54 121.76 127.01 3d45 s ALA 26 Ca 0.24 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.34 3d45 s ALA 26 Cb -0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 3d45 s ALA 26 CO 0.14 0.47 -0.03 0.96 0.00 0.00 0.00 175.76 177.30 3d45 s ILE 27 N -0.45 1.47 -0.24 0.00 -4.36 -0.47 -1.09 121.20 116.05 3d45 s ILE 27 Ca 0.06 -2.09 -0.26 0.00 -0.26 0.00 0.00 60.65 58.10 3d45 s ILE 27 Cb -0.12 -2.47 0.09 0.00 1.25 0.00 0.00 42.46 41.21 3d45 s ILE 27 CO 0.02 -0.27 0.85 -0.62 0.24 0.00 0.00 174.94 175.16 3d45 s ASP 28 N -3.42 -0.60 0.01 4.36 2.15 -0.83 -4.51 116.67 113.82 3d45 s ASP 28 Ca 0.30 1.07 0.03 0.00 0.43 0.00 0.00 52.55 54.38 3d45 s ASP 28 Cb 0.05 1.05 -0.03 0.00 -0.30 0.00 0.00 42.92 43.69 3d45 s ASP 28 CO 0.12 -0.27 -0.05 -0.83 -0.17 0.00 0.00 175.17 173.97 3d45 s GLY 29 N 0.01 1.78 -0.05 2.66 0.00 -1.26 0.38 107.32 110.84 3d45 s GLY 29 Ca -0.00 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.67 3d45 s GLY 29 CO -0.00 -0.89 0.10 -0.54 0.00 0.00 0.00 173.10 171.76 3d45 s GLU 30 N -1.51 3.22 0.39 2.90 0.41 0.10 -4.97 118.70 119.24 3d45 s GLU 30 Ca 0.18 -0.34 0.05 0.00 -0.41 0.00 0.00 54.97 54.45 3d45 s GLU 30 Cb -0.11 -2.98 -0.07 0.00 -1.78 0.00 0.00 34.13 29.19 3d45 s GLU 30 CO 0.09 0.70 0.03 -0.06 -0.49 0.00 0.00 175.26 175.53 3d45 s PHE 31 N -1.11 2.26 0.30 1.61 0.40 -1.26 -1.91 117.98 118.26 3d45 s PHE 31 Ca 0.20 -0.81 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 3d45 s PHE 31 Cb -0.12 -1.58 0.46 0.00 0.51 0.00 0.00 43.02 42.28 3d45 s PHE 31 CO 0.10 0.26 1.71 1.03 0.70 0.00 0.00 175.22 179.02 3d45 h SER 32 N 1.84 0.29 0.00 1.36 0.87 -0.55 -3.47 113.55 113.89 3d45 h SER 32 Ca -0.43 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 3d45 h SER 32 Cb 1.25 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3d45 h SER 32 CO 0.76 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 178.32 3d45 n GLY 33 N -0.23 0.76 0.09 5.77 0.00 -1.26 -2.38 105.19 107.94 3d45 n GLY 33 Ca -0.01 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 3d45 n GLY 33 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d45 n ILE 34 N -0.07 1.48 -4.76 -0.61 2.08 -1.26 -4.77 119.36 111.45 3d45 n ILE 34 Ca 0.00 0.05 -0.24 0.00 0.56 0.00 0.00 62.75 63.12 3d45 n ILE 34 Cb 0.00 -2.23 -0.15 0.00 -0.75 0.00 0.00 39.64 36.51 3d45 n ILE 34 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3d45 s SER 35 N -6.29 1.89 0.00 4.38 0.15 -1.26 -4.24 113.70 108.33 3d45 s SER 35 Ca -0.26 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3d45 s SER 35 Cb 0.06 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 3d45 s SER 35 CO 0.40 0.20 0.00 -0.90 1.20 0.00 0.00 173.24 174.13 3d45 n ASP 36 N 2.67 0.00 0.00 5.45 5.68 -0.96 -4.90 116.55 124.49 3d45 n ASP 36 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 3d45 n ASP 36 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 3d45 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d45 n GLY 37 N 4.86 0.00 3.69 6.12 0.00 -1.26 -4.83 105.19 113.77 3d45 n GLY 37 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3d45 n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3d45 s PRO 38 N 0.00 1.32 1.18 1.61 0.02 -1.26 -5.02 135.00 132.85 3d45 s PRO 38 Ca 0.00 1.60 -0.17 0.00 0.02 0.00 0.00 61.00 62.44 3d45 s PRO 38 Cb 0.00 -1.76 0.27 0.00 0.02 0.00 0.00 34.50 33.04 3d45 s PRO 38 CO 0.00 -2.41 1.07 -1.54 -0.33 0.00 0.00 177.00 173.78 3d45 s SER 39 N -2.54 1.05 0.03 2.53 1.04 -1.26 -4.82 113.70 109.73 3d45 s SER 39 Ca 0.69 0.90 -0.32 0.00 0.48 0.00 0.00 55.95 57.70 3d45 s SER 39 Cb -0.24 -1.33 -0.18 0.00 0.10 0.00 0.00 66.02 64.37 3d45 s SER 39 CO 0.55 -4.07 1.32 0.58 0.98 0.00 0.00 173.24 172.60 3d45 h VAL 40 N -2.54 0.03 -0.52 5.02 2.07 -1.99 -2.63 116.25 115.69 3d45 h VAL 40 Ca -0.49 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3d45 h VAL 40 Cb 1.32 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3d45 h VAL 40 CO 0.42 0.00 0.09 0.71 0.02 0.00 0.00 177.57 178.81 3d45 h THR 41 N -1.28 1.23 -0.03 2.57 1.35 -1.90 -1.14 112.91 113.73 3d45 h THR 41 Ca -0.11 -0.88 0.01 0.00 -0.55 0.00 0.00 66.41 64.88 3d45 h THR 41 Cb 0.86 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3d45 h THR 41 CO 0.19 0.32 0.34 0.00 -0.25 0.00 0.00 175.52 176.11 3d45 h ALA 42 N 1.31 1.38 0.00 6.62 0.00 -1.79 0.08 119.26 126.87 3d45 h ALA 42 Ca 0.17 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3d45 h ALA 42 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3d45 h ALA 42 CO 0.01 -0.35 -1.98 1.28 0.00 0.00 0.00 179.25 178.20 3d45 n LEU 43 N -2.94 0.09 -3.85 0.00 4.77 -0.51 -4.45 117.00 110.11 3d45 n LEU 43 Ca -0.01 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 3d45 n LEU 43 Cb 0.39 0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 3d45 n LEU 43 CO 0.14 0.08 -0.06 -0.89 -1.33 0.00 0.00 177.39 175.34 3d45 s THR 44 N -3.30 2.65 -1.24 -5.08 2.01 -0.01 -4.90 115.64 105.77 3d45 s THR 44 Ca -0.08 -4.14 0.24 0.00 0.31 0.00 0.00 61.69 58.03 3d45 s THR 44 Cb 0.12 -2.75 0.33 0.00 0.01 0.00 0.00 72.50 70.21 3d45 s THR 44 CO 0.88 -1.03 1.80 -1.20 -0.69 0.00 0.00 174.62 174.38 3d45 n SER 45 N 2.04 0.00 0.00 3.53 7.64 -1.07 -4.72 113.62 121.03 3d45 n SER 45 Ca 0.21 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.28 3d45 n SER 45 Cb 0.36 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3d45 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d45 n GLY 46 N 0.88 2.56 2.94 0.23 0.00 -1.26 -4.75 105.19 105.79 3d45 n GLY 46 Ca 0.09 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3d45 n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d45 s PHE 47 N 0.00 2.84 -0.22 1.61 5.99 -1.26 -4.74 117.98 122.20 3d45 s PHE 47 Ca 0.00 -2.25 -0.19 0.00 0.00 0.00 0.00 56.93 54.49 3d45 s PHE 47 Cb 0.00 -2.11 0.06 0.00 0.00 0.00 0.00 43.02 40.97 3d45 s PHE 47 CO 0.00 -0.87 0.58 0.16 -0.00 0.00 0.00 175.22 175.09 3d45 s ASP 48 N 1.23 -0.63 0.33 6.13 3.84 -1.26 -5.16 116.67 121.15 3d45 s ASP 48 Ca 0.03 1.18 -0.27 0.00 -0.00 0.00 0.00 52.55 53.49 3d45 s ASP 48 Cb -0.19 1.18 -0.09 0.00 -1.38 0.00 0.00 42.92 42.44 3d45 s ASP 48 CO -0.10 -0.20 1.05 0.28 -0.00 0.00 0.00 175.17 176.19 3d45 s THR 49 N 0.49 3.72 0.01 2.11 -1.32 -1.26 -4.72 115.64 114.67 3d45 s THR 49 Ca -0.01 1.52 -0.03 0.00 -1.21 0.00 0.00 61.69 61.96 3d45 s THR 49 Cb -0.04 -3.89 -0.01 0.00 -1.51 0.00 0.00 72.50 67.05 3d45 s THR 49 CO -0.02 0.21 0.40 -2.65 -2.21 0.00 0.00 174.62 170.35 3d45 n PRO 50 N 0.65 -0.04 -0.35 7.08 -0.02 -1.26 -0.03 135.00 141.03 3d45 n PRO 50 Ca 0.02 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 3d45 n PRO 50 Cb 0.47 -0.59 0.10 0.00 -0.02 0.00 0.00 33.50 33.47 3d45 n PRO 50 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d45 n GLU 51 N -2.86 -0.13 -0.05 -0.52 -0.58 -1.26 0.12 120.64 115.36 3d45 n GLU 51 Ca 0.00 1.49 -0.13 0.00 -0.42 0.00 0.00 57.16 58.11 3d45 n GLU 51 Cb 0.02 -2.23 -0.01 0.00 -0.57 0.00 0.00 31.44 28.66 3d45 n GLU 51 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3d45 h GLU 52 N 0.00 0.78 0.97 3.49 5.08 -1.01 -0.86 114.58 123.02 3d45 h GLU 52 Ca 0.42 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3d45 h GLU 52 Cb 0.66 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.98 3d45 h GLU 52 CO -0.98 1.11 -0.46 -0.09 -1.00 0.00 0.00 179.01 177.59 3d45 h ARG 53 N 0.60 -1.25 -0.72 2.33 9.65 0.18 -1.42 114.38 123.74 3d45 h ARG 53 Ca 0.01 0.09 0.14 0.00 -1.10 0.00 0.00 59.98 59.12 3d45 h ARG 53 Cb 1.13 0.28 -0.14 0.00 -1.39 0.00 0.00 29.97 29.85 3d45 h ARG 53 CO 0.11 -0.83 -0.19 -0.92 2.80 0.00 0.00 179.97 180.94 3d45 h TYR 54 N -1.33 -0.42 -0.67 2.20 3.20 0.10 -0.12 116.97 119.94 3d45 h TYR 54 Ca -0.13 0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.82 3d45 h TYR 54 Cb 1.00 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.52 3d45 h TYR 54 CO -0.00 -0.32 0.42 0.37 -1.64 0.00 0.00 178.16 177.00 3d45 h GLN 55 N -0.01 0.82 0.28 1.82 5.75 -1.09 0.12 115.11 122.80 3d45 h GLN 55 Ca 0.34 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 3d45 h GLN 55 Cb 0.53 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3d45 h GLN 55 CO -0.74 0.54 -0.27 0.87 -2.65 0.00 0.00 178.83 176.58 3d45 h LYS 56 N 0.85 -0.53 -0.93 1.69 1.57 0.08 0.44 116.57 119.74 3d45 h LYS 56 Ca 0.26 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.29 3d45 h LYS 56 Cb -0.03 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 3d45 h LYS 56 CO -0.09 -0.35 0.61 -0.07 -0.57 0.00 0.00 179.45 178.98 3d45 h LEU 57 N -0.55 0.41 -0.08 2.94 3.38 -1.00 0.17 115.31 120.58 3d45 h LEU 57 Ca -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3d45 h LEU 57 Cb 0.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3d45 h LEU 57 CO -0.03 0.15 0.01 0.50 0.09 0.00 0.00 178.44 179.17 3d45 h LYS 58 N 0.40 0.13 0.00 1.13 3.64 -0.50 -1.45 116.57 119.92 3d45 h LYS 58 Ca 0.49 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3d45 h LYS 58 Cb 1.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3d45 h LYS 58 CO -0.19 0.34 0.00 1.17 -2.27 0.00 0.00 179.45 178.50 3d45 n LYS 59 N -4.88 0.16 0.00 1.90 4.81 0.38 -3.97 118.16 116.56 3d45 n LYS 59 Ca -0.06 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 3d45 n LYS 59 Cb 0.16 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.47 3d45 n LYS 59 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3d45 n HIS 60 N -2.02 0.00 0.00 5.64 8.25 -0.04 -4.89 115.22 122.16 3d45 n HIS 60 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3d45 n HIS 60 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3d45 n HIS 60 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3d45 n SER 61 N -0.08 2.80 0.00 0.41 7.64 -0.55 -2.27 113.62 121.57 3d45 n SER 61 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 3d45 n SER 61 Cb 0.12 0.47 0.59 0.00 -1.01 0.00 0.00 64.21 64.38 3d45 n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3d45 n MET 62 N -1.01 0.33 0.00 1.43 2.00 -1.23 -2.41 117.12 116.23 3d45 n MET 62 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 57.70 57.90 3d45 n MET 62 Cb 0.09 -1.50 0.47 0.00 0.00 0.00 0.00 33.22 32.28 3d45 n MET 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3d45 n ASP 63 N -1.29 1.55 -4.83 7.83 8.00 -1.26 -4.86 116.55 121.69 3d45 n ASP 63 Ca 0.11 -1.46 -0.33 0.00 0.71 0.00 0.00 54.79 53.82 3d45 n ASP 63 Cb 0.19 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3d45 n ASP 63 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3d45 s PHE 64 N -2.07 3.34 -0.21 1.24 0.40 -1.01 -1.07 117.98 118.59 3d45 s PHE 64 Ca 0.35 1.52 -0.17 0.00 -0.60 0.00 0.00 56.93 58.03 3d45 s PHE 64 Cb 0.21 -2.79 -0.03 0.00 0.51 0.00 0.00 43.02 40.92 3d45 s PHE 64 CO 0.36 -0.11 0.48 -1.17 0.70 0.00 0.00 175.22 175.48 3d45 s LEU 65 N -3.27 4.13 -0.51 -0.37 2.96 -1.26 -4.82 118.68 115.55 3d45 s LEU 65 Ca 0.60 0.59 -0.28 0.00 -0.22 0.00 0.00 54.13 54.82 3d45 s LEU 65 Cb -0.09 -2.64 0.01 0.00 0.50 0.00 0.00 46.19 43.97 3d45 s LEU 65 CO 0.16 -0.17 1.49 -0.22 -1.32 0.00 0.00 176.35 176.29 3d45 s LEU 66 N 1.68 3.45 0.00 -0.68 2.96 -1.26 0.19 118.68 125.01 3d45 s LEU 66 Ca 0.22 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3d45 s LEU 66 Cb -0.15 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.37 3d45 s LEU 66 CO 0.09 -1.70 0.59 2.22 -1.32 0.00 0.00 176.35 176.23 3d45 n PHE 67 N 9.75 0.00 -3.69 5.38 1.16 -0.80 -4.79 117.46 124.46 3d45 n PHE 67 Ca 0.15 -0.10 -0.15 0.00 -1.87 0.00 0.00 57.45 55.47 3d45 n PHE 67 Cb 0.49 -0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 38.20 3d45 n PHE 67 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 3d45 s GLN 68 N -0.21 0.08 -0.22 3.97 0.74 -1.13 -2.02 119.66 120.86 3d45 s GLN 68 Ca 0.00 0.54 -0.04 0.00 0.05 0.00 0.00 55.36 55.91 3d45 s GLN 68 Cb 0.00 -0.21 -0.01 0.00 1.10 0.00 0.00 33.01 33.89 3d45 s GLN 68 CO 0.00 -0.26 -0.03 0.12 -0.55 0.00 0.00 175.29 174.57 3d45 s PHE 69 N 1.95 2.98 -0.15 1.67 5.36 0.30 0.00 117.98 130.10 3d45 s PHE 69 Ca -0.01 -0.82 -0.10 0.00 -0.96 0.00 0.00 56.93 55.03 3d45 s PHE 69 Cb -0.12 -2.11 -0.05 0.00 -0.34 0.00 0.00 43.02 40.40 3d45 s PHE 69 CO -0.06 -0.49 0.19 0.20 -1.46 0.00 0.00 175.22 173.59 3d45 s GLY 70 N 1.43 2.15 -0.05 13.12 0.00 0.16 -0.39 107.32 123.73 3d45 s GLY 70 Ca 0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.16 3d45 s GLY 70 CO -0.02 0.03 0.08 -2.27 0.00 0.00 0.00 173.10 170.92 3d45 s LEU 71 N -0.18 0.18 -0.20 0.66 2.96 -0.63 -1.97 118.68 119.50 3d45 s LEU 71 Ca 0.13 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3d45 s LEU 71 Cb -0.12 -0.04 0.04 0.00 0.50 0.00 0.00 46.19 46.57 3d45 s LEU 71 CO 0.02 -0.24 -0.12 0.00 -1.32 0.00 0.00 176.35 174.70 3d45 s ALA 73 N 1.37 3.47 -0.11 0.00 0.00 0.10 0.18 121.76 126.77 3d45 s ALA 73 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.11 3d45 s ALA 73 Cb -0.16 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 3d45 s ALA 73 CO -0.09 0.18 -0.21 -0.06 0.00 0.00 0.00 175.76 175.59 3d45 s PHE 74 N -0.37 2.63 -0.08 0.00 0.40 0.45 -1.52 117.98 119.50 3d45 s PHE 74 Ca 0.33 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 3d45 s PHE 74 Cb -0.19 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.61 3d45 s PHE 74 CO 0.20 -0.36 -0.10 0.21 0.70 0.00 0.00 175.22 175.86 3d45 s LYS 75 N 0.34 1.62 -0.20 0.44 2.20 -0.39 0.75 119.74 124.50 3d45 s LYS 75 Ca -0.17 -0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 54.83 3d45 s LYS 75 Cb -0.17 -1.45 -0.01 0.00 -1.51 0.00 0.00 37.83 34.69 3d45 s LYS 75 CO 0.08 -0.08 0.89 -0.47 -0.36 0.00 0.00 175.35 175.42 3d45 s TYR 76 N 1.02 3.38 -0.24 4.03 5.04 -1.26 -0.42 117.35 128.90 3d45 s TYR 76 Ca -0.08 1.30 -0.17 0.00 -2.44 0.00 0.00 57.07 55.68 3d45 s TYR 76 Cb -0.15 -3.10 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 3d45 s TYR 76 CO -0.00 -0.33 0.49 0.34 -1.34 0.00 0.00 175.55 174.70 3d45 s ASP 77 N 1.21 6.45 0.42 4.32 -1.08 -0.39 -4.96 116.67 122.64 3d45 s ASP 77 Ca 0.40 0.54 0.23 0.00 -0.52 0.00 0.00 52.55 53.20 3d45 s ASP 77 Cb -0.16 -2.27 0.61 0.00 -1.46 0.00 0.00 42.92 39.64 3d45 s ASP 77 CO 0.10 -0.22 1.70 0.45 0.52 0.00 0.00 175.17 177.72 3d45 h HIS 78 N 7.78 0.00 0.17 -5.34 3.86 -1.96 -3.03 115.15 116.62 3d45 h HIS 78 Ca -0.32 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 3d45 h HIS 78 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 3d45 h HIS 78 CO 0.73 0.17 -0.08 1.79 0.86 0.00 0.00 177.93 181.40 3d45 h THR 79 N 0.00 0.45 -0.31 2.45 1.35 -1.94 -3.34 112.91 111.57 3d45 h THR 79 Ca -0.00 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3d45 h THR 79 Cb 0.93 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3d45 h THR 79 CO 0.02 0.13 0.00 0.47 -0.25 0.00 0.00 175.52 175.89 3d45 n ASP 80 N -4.91 1.72 -0.68 5.36 10.43 -1.26 -4.88 116.55 122.34 3d45 n ASP 80 Ca -0.05 -1.97 -0.08 0.00 2.57 0.00 0.00 54.79 55.26 3d45 n ASP 80 Cb 0.19 -0.21 -0.03 0.00 1.84 0.00 0.00 41.12 42.91 3d45 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3d45 n SER 81 N 0.43 -4.94 -4.95 -2.24 7.64 -1.15 -4.95 113.62 103.46 3d45 n SER 81 Ca 0.11 0.20 -0.21 0.00 1.01 0.00 0.00 58.87 59.99 3d45 n SER 81 Cb 0.28 -3.59 -0.02 0.00 -1.01 0.00 0.00 64.21 59.87 3d45 n SER 81 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3d45 s LYS 82 N -2.52 3.24 -0.17 1.43 -2.85 -1.20 -4.73 119.74 112.95 3d45 s LYS 82 Ca 0.00 -0.90 -0.09 0.00 -1.00 0.00 0.00 55.97 53.97 3d45 s LYS 82 Cb 0.00 -2.80 -0.05 0.00 -2.06 0.00 0.00 37.83 32.92 3d45 s LYS 82 CO 0.00 0.30 0.14 -1.01 0.10 0.00 0.00 175.35 174.88 3d45 s HIS 83 N -2.08 3.48 -0.04 1.78 3.76 0.00 -1.26 115.29 120.93 3d45 s HIS 83 Ca 0.37 0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 55.55 3d45 s HIS 83 Cb -0.09 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 3d45 s HIS 83 CO 0.29 0.44 0.40 0.08 -0.85 0.00 0.00 174.74 175.11 3d45 s VAL 84 N -0.12 5.09 0.25 -0.90 1.01 0.44 0.12 120.40 126.29 3d45 s VAL 84 Ca 0.11 0.82 0.11 0.00 0.00 0.00 0.00 61.98 63.03 3d45 s VAL 84 Cb -0.11 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3d45 s VAL 84 CO 0.00 0.52 -0.20 0.42 0.00 0.00 0.00 175.10 175.84 3d45 s THR 85 N -0.63 2.39 -0.12 3.92 -4.23 0.11 -1.26 115.64 115.82 3d45 s THR 85 Ca 0.23 -2.31 -0.05 0.00 -1.18 0.00 0.00 61.69 58.38 3d45 s THR 85 Cb -0.16 -2.23 0.06 0.00 1.34 0.00 0.00 72.50 71.50 3d45 s THR 85 CO 0.12 -0.35 0.26 -0.54 -0.54 0.00 0.00 174.62 173.56 3d45 s LYS 86 N -3.33 0.18 0.07 3.99 1.02 -0.58 -2.19 119.74 118.90 3d45 s LYS 86 Ca 0.27 0.64 0.07 0.00 0.02 0.00 0.00 55.97 56.98 3d45 s LYS 86 Cb -0.05 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 3d45 s LYS 86 CO 0.13 -0.23 -0.19 -1.54 -0.92 0.00 0.00 175.35 172.60 3d45 s SER 87 N 1.86 2.32 0.04 2.83 1.04 -1.26 0.02 113.70 120.54 3d45 s SER 87 Ca -0.04 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.81 3d45 s SER 87 Cb -0.11 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3d45 s SER 87 CO -0.09 0.07 -0.07 -0.36 0.98 0.00 0.00 173.24 173.77 3d45 s PHE 88 N -1.02 0.64 -0.38 5.02 0.40 0.44 -1.73 117.98 121.36 3d45 s PHE 88 Ca 0.05 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 3d45 s PHE 88 Cb -0.09 -0.39 0.11 0.00 0.51 0.00 0.00 43.02 43.16 3d45 s PHE 88 CO 0.03 -0.09 0.12 -0.80 0.70 0.00 0.00 175.22 175.17 3d45 s ASN 89 N -1.60 4.51 -0.18 1.36 0.02 0.76 -1.61 114.94 118.20 3d45 s ASN 89 Ca -0.10 -2.32 -0.17 0.00 -1.02 0.00 0.00 52.86 49.24 3d45 s ASN 89 Cb -0.10 -1.50 -0.04 0.00 0.02 0.00 0.00 41.25 39.63 3d45 s ASN 89 CO 0.00 -0.34 0.46 -0.36 0.02 0.00 0.00 177.10 176.88 3d45 s PHE 90 N 0.68 3.41 -0.20 2.20 0.40 0.47 -1.38 117.98 123.56 3d45 s PHE 90 Ca 0.13 0.75 -0.17 0.00 -0.60 0.00 0.00 56.93 57.04 3d45 s PHE 90 Cb -0.21 -2.58 -0.04 0.00 0.51 0.00 0.00 43.02 40.71 3d45 s PHE 90 CO -0.08 0.01 0.44 0.71 0.70 0.00 0.00 175.22 177.00 3d45 s TYR 91 N 1.22 3.37 0.01 0.36 1.51 -0.98 -0.54 117.35 122.31 3d45 s TYR 91 Ca 0.23 0.66 0.08 0.00 -1.01 0.00 0.00 57.07 57.02 3d45 s TYR 91 Cb -0.15 -2.57 -0.02 0.00 -0.11 0.00 0.00 41.96 39.10 3d45 s TYR 91 CO 0.09 -0.05 -0.23 0.14 -1.11 0.00 0.00 175.55 174.39 3d45 s VAL 92 N 1.44 1.83 -0.24 0.71 -7.23 -0.86 -0.63 120.40 115.43 3d45 s VAL 92 Ca 0.20 -1.13 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 3d45 s VAL 92 Cb -0.15 -1.55 0.08 0.00 0.56 0.00 0.00 36.38 35.32 3d45 s VAL 92 CO 0.09 0.39 0.55 0.12 -0.31 0.00 0.00 175.10 175.93 3d45 s PHE 93 N -0.67 -0.93 -1.29 2.82 5.36 0.20 -4.53 117.98 118.94 3d45 s PHE 93 Ca 0.09 1.81 -0.10 0.00 -0.96 0.00 0.00 56.93 57.77 3d45 s PHE 93 Cb -0.09 0.50 -0.07 0.00 -0.34 0.00 0.00 43.02 43.02 3d45 s PHE 93 CO 0.01 -0.49 2.49 -0.35 -1.46 0.00 0.00 175.22 175.42 3d45 n PRO 94 N 4.70 2.85 -1.70 10.12 -0.04 -1.26 -3.35 135.00 146.32 3d45 n PRO 94 Ca -0.17 -1.97 -0.43 0.00 -0.04 0.00 0.00 63.50 60.89 3d45 n PRO 94 Cb 0.54 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 3d45 n PRO 94 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3d45 n LYS 95 N 4.41 2.69 -1.93 0.54 4.81 -1.26 -4.58 118.16 122.84 3d45 n LYS 95 Ca 0.61 0.98 -0.39 0.00 -0.87 0.00 0.00 58.31 58.63 3d45 n LYS 95 Cb 0.23 -2.83 0.01 0.00 0.02 0.00 0.00 35.03 32.46 3d45 n LYS 95 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3d45 s PRO 96 N 1.74 3.79 -0.08 1.64 0.04 -1.26 -4.84 135.00 136.03 3d45 s PRO 96 Ca 0.78 2.26 -0.25 0.00 0.04 0.00 0.00 61.00 63.84 3d45 s PRO 96 Cb -0.52 -2.68 -0.28 0.00 0.04 0.00 0.00 34.50 31.06 3d45 s PRO 96 CO 0.35 -0.67 0.88 0.35 0.04 0.00 0.00 177.00 177.94 3d45 h PHE 97 N 2.44 0.32 -2.00 0.56 3.57 -1.89 -3.49 116.94 116.45 3d45 h PHE 97 Ca -0.50 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 60.78 3d45 h PHE 97 Cb 1.26 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3d45 h PHE 97 CO 0.51 1.15 0.00 -1.13 -2.23 0.00 0.00 178.31 176.61 3d45 n SER 98 N -4.35 0.79 0.01 0.41 3.41 -1.26 -5.01 113.62 107.62 3d45 n SER 98 Ca -0.12 -0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.39 3d45 n SER 98 Cb 0.65 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.67 3d45 n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3d45 n ARG 99 N 0.00 0.10 -0.01 4.33 5.12 -1.26 -4.14 116.66 120.79 3d45 n ARG 99 Ca 0.00 -0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.96 3d45 n ARG 99 Cb 0.00 -1.53 -0.10 0.00 -1.16 0.00 0.00 32.46 29.67 3d45 n ARG 99 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3d45 n SER 100 N -1.65 1.99 -4.75 0.55 3.41 -1.26 -5.01 113.62 106.89 3d45 n SER 100 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.26 3d45 n SER 100 Cb 0.37 1.47 0.04 0.00 -0.26 0.00 0.00 64.21 65.83 3d45 n SER 100 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d45 s SER 101 N -3.68 5.41 0.35 4.04 0.15 -1.26 -4.93 113.70 113.79 3d45 s SER 101 Ca -0.05 2.83 -0.28 0.00 0.70 0.00 0.00 55.95 59.15 3d45 s SER 101 Cb 0.08 -2.64 -0.12 0.00 -1.71 0.00 0.00 66.02 61.63 3d45 s SER 101 CO 0.54 -1.48 1.33 -2.65 1.20 0.00 0.00 173.24 172.18 3d45 n PRO 102 N -0.81 2.24 -3.57 5.44 -0.02 -1.26 -4.80 135.00 132.23 3d45 n PRO 102 Ca 0.09 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 3d45 n PRO 102 Cb 0.44 -2.41 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 3d45 n PRO 102 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3d45 s ASP 103 N -0.28 5.72 0.38 2.55 3.68 -1.26 -4.76 116.67 122.70 3d45 s ASP 103 Ca 0.55 -1.53 -0.26 0.00 2.13 0.00 0.00 52.55 53.44 3d45 s ASP 103 Cb -0.55 -2.02 -0.09 0.00 -1.45 0.00 0.00 42.92 38.82 3d45 s ASP 103 CO 0.62 -0.57 1.21 -0.69 0.13 0.00 0.00 175.17 175.87 3d45 s VAL 104 N 1.45 3.02 -0.35 1.11 1.01 -1.26 -4.99 120.40 120.40 3d45 s VAL 104 Ca 0.03 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.95 3d45 s VAL 104 Cb -0.24 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 32.71 3d45 s VAL 104 CO 0.02 0.13 0.09 -0.54 0.00 0.00 0.00 175.10 174.80 3d45 s LYS 105 N -2.12 1.23 0.40 2.72 3.01 -1.26 -5.09 119.74 118.63 3d45 s LYS 105 Ca 0.54 -1.65 0.08 0.00 -1.01 0.00 0.00 55.97 53.93 3d45 s LYS 105 Cb -0.33 -2.73 -0.00 0.00 -1.01 0.00 0.00 37.83 33.75 3d45 s LYS 105 CO 0.43 -0.98 0.49 -0.59 0.51 0.00 0.00 175.35 175.21 3d45 s PHE 106 N 1.04 2.84 0.13 3.18 -0.12 -1.26 -5.02 117.98 118.77 3d45 s PHE 106 Ca 0.11 -0.39 0.10 0.00 -0.05 0.00 0.00 56.93 56.71 3d45 s PHE 106 Cb -0.19 -2.24 -0.04 0.00 -0.63 0.00 0.00 43.02 39.92 3d45 s PHE 106 CO -0.13 -0.25 -0.23 0.08 -0.05 0.00 0.00 175.22 174.64 3d45 s VAL 107 N -2.35 2.52 0.05 -2.49 1.01 -0.24 -5.01 120.40 113.90 3d45 s VAL 107 Ca 0.51 -1.67 0.07 0.00 0.00 0.00 0.00 61.98 60.90 3d45 s VAL 107 Cb -0.08 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3d45 s VAL 107 CO 0.31 0.08 -0.19 0.00 0.00 0.00 0.00 175.10 175.30 3d45 s GLN 109 N -1.52 3.17 0.28 0.00 0.74 -1.00 -4.97 119.66 116.36 3d45 s GLN 109 Ca 0.15 -0.75 -0.02 0.00 0.05 0.00 0.00 55.36 54.79 3d45 s GLN 109 Cb -0.10 -2.70 0.42 0.00 1.10 0.00 0.00 33.01 31.73 3d45 s GLN 109 CO 0.06 -0.12 1.91 0.77 -0.55 0.00 0.00 175.29 177.36 3d45 h SER 110 N 7.73 1.01 -0.08 6.67 0.02 -1.97 -0.82 113.55 126.11 3d45 h SER 110 Ca -0.39 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 3d45 h SER 110 Cb 1.17 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 3d45 h SER 110 CO 0.60 0.67 0.02 0.77 -1.14 0.00 0.00 176.83 177.75 3d45 h SER 111 N 1.16 0.12 -0.66 3.07 4.64 -1.95 0.53 113.55 120.46 3d45 h SER 111 Ca 0.39 -0.24 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 3d45 h SER 111 Cb 0.08 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.06 3d45 h SER 111 CO -0.14 0.34 0.22 0.28 -0.87 0.00 0.00 176.83 176.66 3d45 h SER 112 N -0.09 0.18 0.28 4.97 0.02 -1.55 0.40 113.55 117.76 3d45 h SER 112 Ca 0.02 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3d45 h SER 112 Cb 0.26 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3d45 h SER 112 CO 0.00 0.09 -0.14 0.40 -1.14 0.00 0.00 176.83 176.04 3d45 h ILE 113 N 0.38 0.76 -0.79 3.27 1.08 -0.96 -0.82 117.51 120.43 3d45 h ILE 113 Ca 0.35 -0.43 0.19 0.00 -0.39 0.00 0.00 64.86 64.58 3d45 h ILE 113 Cb 0.50 0.99 -0.12 0.00 -3.07 0.00 0.00 36.82 35.11 3d45 h ILE 113 CO -0.37 0.09 0.16 -0.78 -0.69 0.00 0.00 178.15 176.56 3d45 h ASP 114 N -0.61 -0.06 0.70 1.72 3.58 -0.56 0.42 116.42 121.60 3d45 h ASP 114 Ca -0.04 0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3d45 h ASP 114 Cb 0.44 0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 3d45 h ASP 114 CO 0.06 -0.10 -0.42 0.15 -2.88 0.00 0.00 179.24 176.06 3d45 h PHE 115 N 0.22 -1.10 -1.01 0.28 3.57 -0.01 -2.33 116.94 116.56 3d45 h PHE 115 Ca 0.46 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 62.18 3d45 h PHE 115 Cb 0.84 0.39 -0.11 0.00 2.79 0.00 0.00 35.95 39.86 3d45 h PHE 115 CO -0.30 -0.63 0.62 -0.07 -2.23 0.00 0.00 178.31 175.70 3d45 h LEU 116 N -1.04 0.64 -0.20 0.59 3.38 -0.39 0.19 115.31 118.49 3d45 h LEU 116 Ca -0.09 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3d45 h LEU 116 Cb 0.84 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3d45 h LEU 116 CO 0.10 0.14 0.04 0.00 0.09 0.00 0.00 178.44 178.81 3d45 h ALA 117 N 1.68 0.20 0.00 1.53 0.00 -0.63 -0.42 119.26 121.62 3d45 h ALA 117 Ca 0.61 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3d45 h ALA 117 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3d45 h ALA 117 CO -0.41 -0.39 0.00 -1.13 0.00 0.00 0.00 179.25 177.32 3d45 n SER 118 N -5.08 0.00 -0.85 0.00 3.41 0.65 -1.76 113.62 109.98 3d45 n SER 118 Ca -0.03 -0.10 0.08 0.00 -0.26 0.00 0.00 58.87 58.56 3d45 n SER 118 Cb 0.09 -0.11 0.18 0.00 -0.26 0.00 0.00 64.21 64.11 3d45 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d45 n GLN 119 N -1.11 2.44 -0.92 4.33 1.13 -0.18 -4.97 117.38 118.11 3d45 n GLN 119 Ca 0.06 -2.10 0.00 0.00 -1.94 0.00 0.00 57.00 53.02 3d45 n GLN 119 Cb 0.04 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3d45 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d45 n GLY 120 N 0.94 0.74 3.58 1.08 0.00 -0.72 -4.57 105.19 106.24 3d45 n GLY 120 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 3d45 n GLY 120 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3d45 n PHE 121 N -2.49 1.18 -3.82 1.61 7.35 -1.15 -4.97 117.46 115.18 3d45 n PHE 121 Ca 0.00 0.72 -0.36 0.00 -0.76 0.00 0.00 57.45 57.05 3d45 n PHE 121 Cb 0.00 -2.24 -0.12 0.00 0.35 0.00 0.00 39.48 37.47 3d45 n PHE 121 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3d45 s ASP 122 N -0.56 5.14 0.38 -2.13 -1.08 -1.26 -4.85 116.67 112.31 3d45 s ASP 122 Ca 0.60 -1.56 0.20 0.00 -0.52 0.00 0.00 52.55 51.26 3d45 s ASP 122 Cb -0.72 -1.80 0.62 0.00 -1.46 0.00 0.00 42.92 39.56 3d45 s ASP 122 CO 0.59 -0.40 1.70 -0.26 0.52 0.00 0.00 175.17 177.32 3d45 h PHE 123 N 8.07 0.00 -0.40 -5.34 -1.00 -2.00 -2.24 116.94 114.03 3d45 h PHE 123 Ca -0.18 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.61 3d45 h PHE 123 Cb 1.06 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.60 3d45 h PHE 123 CO 0.59 0.34 0.27 -0.91 -1.61 0.00 0.00 178.31 176.98 3d45 h ASN 124 N 0.00 0.42 -0.88 2.17 4.21 -1.97 0.67 115.58 120.20 3d45 h ASN 124 Ca -0.00 -0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.52 3d45 h ASN 124 Cb 0.96 -0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 38.01 3d45 h ASN 124 CO 0.04 0.30 0.57 0.11 -1.29 0.00 0.00 177.43 177.16 3d45 h LYS 125 N 0.49 1.10 0.11 0.81 1.57 -1.79 0.12 116.57 118.98 3d45 h LYS 125 Ca 0.15 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3d45 h LYS 125 Cb 0.02 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.08 3d45 h LYS 125 CO -0.04 0.73 -0.05 0.28 -0.57 0.00 0.00 179.45 179.80 3d45 h VAL 126 N 1.14 1.03 0.00 0.50 2.07 -1.31 0.21 116.25 119.89 3d45 h VAL 126 Ca 0.34 -1.28 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 3d45 h VAL 126 Cb -0.05 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3d45 h VAL 126 CO -0.10 0.27 -1.15 -0.26 0.02 0.00 0.00 177.57 176.35 3d45 h PHE 127 N -0.82 0.00 0.00 1.57 0.05 -0.85 -0.35 116.94 116.54 3d45 h PHE 127 Ca -0.02 0.00 -0.37 0.00 3.82 0.00 0.00 57.97 61.40 3d45 h PHE 127 Cb 0.56 0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.44 3d45 h PHE 127 CO 0.11 0.51 -2.39 0.00 -0.18 0.00 0.00 178.31 176.36 3d45 n SER 129 N -2.88 1.89 -4.73 0.00 7.64 -1.01 -5.02 113.62 109.51 3d45 n SER 129 Ca -0.36 -1.93 -0.37 0.00 1.01 0.00 0.00 58.87 57.22 3d45 n SER 129 Cb 1.10 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.37 3d45 n SER 129 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3d45 s GLY 130 N -0.93 2.86 -0.17 0.23 0.00 0.04 -0.62 107.32 108.73 3d45 s GLY 130 Ca 0.00 1.21 -0.20 0.00 0.00 0.00 0.00 44.72 45.73 3d45 s GLY 130 CO 0.00 1.64 0.56 -0.42 0.00 0.00 0.00 173.10 174.88 3d45 s ILE 131 N -1.40 5.09 1.31 0.90 1.01 0.20 -4.42 121.20 123.90 3d45 s ILE 131 Ca 0.82 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 62.32 3d45 s ILE 131 Cb -0.37 -3.89 0.33 0.00 0.01 0.00 0.00 42.46 38.54 3d45 s ILE 131 CO 0.40 0.20 1.04 -2.65 0.00 0.00 0.00 174.94 173.93 3d45 n PRO 132 N 4.49 -3.65 -3.63 2.79 -0.02 -1.21 -0.63 135.00 133.13 3d45 n PRO 132 Ca -0.04 -1.69 -0.03 0.00 -2.02 0.00 0.00 63.50 59.73 3d45 n PRO 132 Cb 0.51 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 3d45 n PRO 132 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3d45 s TYR 133 N -2.76 -0.04 0.04 6.00 -0.85 -1.14 -0.51 117.35 118.09 3d45 s TYR 133 Ca 0.71 0.04 0.02 0.00 -0.52 0.00 0.00 57.07 57.32 3d45 s TYR 133 Cb -0.08 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 3d45 s TYR 133 CO 0.55 -0.06 -0.07 -0.51 -1.52 0.00 0.00 175.55 173.94 3d45 s LEU 134 N -1.78 2.28 0.00 -3.49 1.43 -1.16 -4.80 118.68 111.16 3d45 s LEU 134 Ca 0.10 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 3d45 s LEU 134 Cb -0.01 -0.11 0.12 0.00 0.03 0.00 0.00 46.19 46.22 3d45 s LEU 134 CO -0.04 -0.25 0.73 -0.46 0.23 0.00 0.00 176.35 176.56 3d45 n ASN 135 N 1.30 0.27 -0.02 2.29 6.94 -1.26 -4.69 115.26 120.08 3d45 n ASN 135 Ca -0.22 -1.39 -0.13 0.00 -0.02 0.00 0.00 54.58 52.82 3d45 n ASN 135 Cb 0.55 -0.54 -0.07 0.00 -2.36 0.00 0.00 39.78 37.36 3d45 n ASN 135 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 3d45 h GLN 136 N 0.00 -0.48 0.00 -3.83 5.75 -1.35 -2.45 115.11 112.75 3d45 h GLN 136 Ca -0.24 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 3d45 h GLN 136 Cb 0.71 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.37 3d45 h GLN 136 CO 0.19 -0.32 0.00 0.39 -2.65 0.00 0.00 178.83 176.44 3d45 n GLU 137 N -5.43 0.00 -0.32 1.69 -0.58 -1.26 -1.50 120.64 113.24 3d45 n GLU 137 Ca -0.04 0.52 0.16 0.00 -0.42 0.00 0.00 57.16 57.37 3d45 n GLU 137 Cb 0.37 -1.41 0.31 0.00 -0.57 0.00 0.00 31.44 30.14 3d45 n GLU 137 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3d45 n GLU 138 N -1.92 -0.07 0.33 3.49 1.02 -1.23 0.32 120.64 122.58 3d45 n GLU 138 Ca 0.00 1.36 -0.13 0.00 -0.02 0.00 0.00 57.16 58.37 3d45 n GLU 138 Cb 0.00 -2.20 -0.06 0.00 -0.02 0.00 0.00 31.44 29.15 3d45 n GLU 138 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3d45 h GLU 139 N 0.00 -0.84 -1.15 3.49 4.81 -1.43 0.95 114.58 120.41 3d45 h GLU 139 Ca 0.59 0.06 0.35 0.00 -0.13 0.00 0.00 59.36 60.22 3d45 h GLU 139 Cb 1.28 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 30.73 3d45 h GLU 139 CO -0.84 -0.56 0.73 -0.09 -0.73 0.00 0.00 179.01 177.52 3d45 h ARG 140 N -1.10 0.24 0.10 1.92 2.43 0.21 -3.16 114.38 115.02 3d45 h ARG 140 Ca -0.09 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.74 3d45 h ARG 140 Cb 0.67 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3d45 h ARG 140 CO 0.15 0.16 -1.79 -0.56 -1.51 0.00 0.00 179.97 176.42 3d45 h GLN 141 N 0.25 0.20 0.00 0.20 3.07 0.06 -3.29 115.11 115.60 3d45 h GLN 141 Ca 0.71 -0.35 0.00 0.00 0.09 0.00 0.00 58.65 59.11 3d45 h GLN 141 Cb 1.99 0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.67 3d45 h GLN 141 CO -0.40 1.17 0.00 1.28 0.09 0.00 0.00 178.83 180.97 3d45 n LEU 142 N -3.74 0.00 -4.64 0.06 4.32 0.31 -4.24 117.00 109.06 3d45 n LEU 142 Ca -0.32 0.24 -0.42 0.00 -0.02 0.00 0.00 56.01 55.49 3d45 n LEU 142 Cb 0.95 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 42.48 3d45 n LEU 142 CO 0.37 -0.22 0.79 -0.13 -1.22 0.00 0.00 177.39 176.99 3d45 s ARG 143 N -2.48 4.14 -0.96 3.23 0.52 -1.23 -5.11 118.95 117.07 3d45 s ARG 143 Ca 0.03 1.04 -0.05 0.00 -0.52 0.00 0.00 55.73 56.24 3d45 s ARG 143 Cb 0.02 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 3d45 s ARG 143 CO 0.04 -0.67 0.85 0.39 0.02 0.00 0.00 175.30 175.94 3d45 n GLU 144 N 6.33 -1.96 0.00 3.54 4.71 -1.26 -5.04 120.64 126.97 3d45 n GLU 144 Ca 0.09 1.04 0.00 0.00 -0.01 0.00 0.00 57.16 58.28 3d45 n GLU 144 Cb 0.47 -5.76 0.00 0.00 -1.01 0.00 0.00 31.44 25.14 3d45 n GLU 144 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3d45 n THR 251 N -2.83 0.00 0.07 2.62 -2.24 -1.26 -5.07 114.28 105.56 3d45 n THR 251 Ca -0.05 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 3d45 n THR 251 Cb 0.59 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.23 3d45 n THR 251 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d45 h LYS 252 N 0.00 0.38 -0.04 -0.78 3.11 -2.06 -2.96 116.57 114.22 3d45 h LYS 252 Ca 0.00 -0.05 -0.18 0.00 -2.81 0.00 0.00 60.65 57.60 3d45 h LYS 252 Cb 0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.17 3d45 h LYS 252 CO 0.00 0.36 -0.69 1.49 -2.81 0.00 0.00 179.45 177.80 3d45 h GLU 253 N 0.38 0.55 0.00 1.90 4.57 -2.06 -2.17 114.58 117.75 3d45 h GLU 253 Ca 0.09 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3d45 h GLU 253 Cb 0.15 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3d45 h GLU 253 CO -0.00 1.16 0.33 0.94 -1.18 0.00 0.00 179.01 180.25 3d45 n GLN 254 N -4.11 0.03 0.00 1.92 -0.06 -1.12 -0.19 117.38 113.84 3d45 n GLN 254 Ca -0.10 0.36 0.01 0.00 -2.00 0.00 0.00 57.00 55.27 3d45 n GLN 254 Cb 0.71 -1.92 -0.02 0.00 -4.06 0.00 0.00 30.24 24.95 3d45 n GLN 254 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3d45 n GLU 255 N -1.53 6.08 -0.00 3.69 -0.58 -1.03 -4.35 120.64 122.92 3d45 n GLU 255 Ca -0.00 -0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 3d45 n GLU 255 Cb 0.33 -0.63 -0.13 0.00 -0.57 0.00 0.00 31.44 30.45 3d45 n GLU 255 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3d45 n GLU 256 N -1.06 0.19 -0.11 3.49 1.02 0.73 -3.82 120.64 121.08 3d45 n GLU 256 Ca 0.01 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.01 3d45 n GLU 256 Cb 0.04 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 3d45 n GLU 256 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3d45 h LEU 257 N 0.00 0.55 0.00 -4.62 5.85 -1.27 -2.83 115.31 113.00 3d45 h LEU 257 Ca 0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3d45 h LEU 257 Cb 0.57 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3d45 h LEU 257 CO 0.00 0.72 0.00 0.59 -0.34 0.00 0.00 178.44 179.41 3d45 n ASN 258 N -4.55 0.00 -0.09 1.25 3.02 -1.25 -2.47 115.26 111.17 3d45 n ASN 258 Ca -0.02 -1.06 -0.09 0.00 -0.03 0.00 0.00 54.58 53.37 3d45 n ASN 258 Cb 0.26 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.27 3d45 n ASN 258 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3d45 n ASP 259 N -0.95 0.07 0.13 6.41 9.92 -1.19 -3.90 116.55 127.05 3d45 n ASP 259 Ca 0.21 0.03 -0.22 0.00 -0.53 0.00 0.00 54.79 54.28 3d45 n ASP 259 Cb 0.10 0.94 -0.15 0.00 -0.64 0.00 0.00 41.12 41.37 3d45 n ASP 259 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3d45 h ALA 260 N 1.03 -0.08 -0.15 2.24 0.00 -1.23 -2.92 119.26 118.15 3d45 h ALA 260 Ca -0.52 -0.88 -0.08 0.00 0.00 0.00 0.00 54.91 53.44 3d45 h ALA 260 Cb 2.20 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 3d45 h ALA 260 CO 0.03 0.78 -0.25 -0.39 0.00 0.00 0.00 179.25 179.43 3d45 h VAL 261 N 0.13 1.24 0.00 0.00 -1.51 -1.74 -2.98 116.25 111.38 3d45 h VAL 261 Ca -0.23 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 3d45 h VAL 261 Cb 2.12 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.68 3d45 h VAL 261 CO 0.25 0.34 0.00 0.61 -1.23 0.00 0.00 177.57 177.55 3d45 n GLY 262 N -0.55 1.46 0.32 5.19 0.00 -1.10 -0.78 105.19 109.72 3d45 n GLY 262 Ca -0.01 0.66 0.05 0.00 0.00 0.00 0.00 46.02 46.73 3d45 n GLY 262 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3d45 h PHE 263 N 0.00 0.55 0.00 1.61 3.57 -1.09 -2.54 116.94 119.04 3d45 h PHE 263 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3d45 h PHE 263 Cb 0.00 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3d45 h PHE 263 CO 0.00 0.33 0.14 0.77 -2.23 0.00 0.00 178.31 177.32 3d45 h SER 264 N 0.58 0.00 -0.50 0.41 0.02 -1.20 0.22 113.55 113.07 3d45 h SER 264 Ca 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3d45 h SER 264 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3d45 h SER 264 CO -0.05 0.00 0.09 0.03 -1.14 0.00 0.00 176.83 175.76 3d45 h ARG 265 N 0.00 0.88 -0.25 3.45 3.08 -1.59 -0.82 114.38 119.14 3d45 h ARG 265 Ca 0.00 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3d45 h ARG 265 Cb 0.28 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3d45 h ARG 265 CO 0.00 0.82 0.05 0.28 -1.07 0.00 0.00 179.97 180.06 3d45 h VAL 266 N 0.84 1.22 -0.86 2.04 2.07 -1.14 -1.51 116.25 118.90 3d45 h VAL 266 Ca 0.18 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3d45 h VAL 266 Cb 0.37 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3d45 h VAL 266 CO 0.01 0.23 0.43 0.40 0.02 0.00 0.00 177.57 178.66 3d45 h ILE 267 N 0.22 1.26 -0.65 4.57 1.08 -1.51 -1.34 117.51 121.15 3d45 h ILE 267 Ca 0.08 -0.70 0.07 0.00 -0.39 0.00 0.00 64.86 63.91 3d45 h ILE 267 Cb 0.30 0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 34.12 3d45 h ILE 267 CO 0.00 0.31 0.34 0.45 -0.69 0.00 0.00 178.15 178.56 3d45 h HIS 268 N 1.22 0.62 0.04 1.37 3.86 -1.06 0.17 115.15 121.37 3d45 h HIS 268 Ca 0.30 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3d45 h HIS 268 Cb 0.09 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3d45 h HIS 268 CO 0.01 0.27 -0.03 0.00 0.86 0.00 0.00 177.93 179.05 3d45 h ALA 269 N 1.36 -0.06 0.24 2.45 0.00 -0.44 0.05 119.26 122.86 3d45 h ALA 269 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3d45 h ALA 269 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3d45 h ALA 269 CO -0.21 -0.54 -0.11 0.82 0.00 0.00 0.00 179.25 179.21 3d45 h ILE 270 N -0.07 0.78 -1.00 0.00 2.04 -0.95 -1.82 117.51 116.51 3d45 h ILE 270 Ca -0.00 -0.09 0.24 0.00 1.00 0.00 0.00 64.86 66.01 3d45 h ILE 270 Cb 0.06 0.84 -0.12 0.00 -0.74 0.00 0.00 36.82 36.85 3d45 h ILE 270 CO 0.00 0.02 0.58 0.00 0.00 0.00 0.00 178.15 178.76 3d45 h ALA 271 N 0.39 1.76 0.06 1.87 0.00 -0.46 -2.83 119.26 120.07 3d45 h ALA 271 Ca -0.03 0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 3d45 h ALA 271 Cb 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3d45 h ALA 271 CO 0.05 -0.26 -1.42 -0.91 0.00 0.00 0.00 179.25 176.71 3d45 h ASN 272 N 0.58 0.21 -0.02 0.00 2.35 -0.75 -3.30 115.58 114.64 3d45 h ASN 272 Ca 0.64 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 56.10 3d45 h ASN 272 Cb 1.20 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 3d45 h ASN 272 CO -0.48 1.25 0.18 0.77 -1.65 0.00 0.00 177.43 177.50 3d45 h SER 273 N 0.04 0.00 0.00 5.81 4.64 -1.07 -3.45 113.55 119.53 3d45 h SER 273 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3d45 h SER 273 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 3d45 h SER 273 CO 0.14 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3d45 n GLY 274 N -1.18 0.14 3.86 -0.77 0.00 -1.24 -4.96 105.19 101.04 3d45 n GLY 274 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3d45 n GLY 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d45 s LYS 275 N -1.19 2.86 0.18 1.61 1.02 -1.26 -4.65 119.74 118.30 3d45 s LYS 275 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 55.97 56.31 3d45 s LYS 275 Cb 0.00 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 3d45 s LYS 275 CO 0.00 -1.07 1.25 -1.17 -0.92 0.00 0.00 175.35 173.44 3d45 s LEU 276 N -5.43 4.43 -0.20 3.17 2.96 -1.26 -4.53 118.68 117.82 3d45 s LEU 276 Ca 0.58 2.30 -0.03 0.00 -0.22 0.00 0.00 54.13 56.76 3d45 s LEU 276 Cb -0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3d45 s LEU 276 CO 0.53 -0.44 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.35 3d45 s VAL 277 N 0.07 3.21 -0.14 1.68 1.01 0.84 -1.63 120.40 125.44 3d45 s VAL 277 Ca 0.55 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 3d45 s VAL 277 Cb -0.34 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3d45 s VAL 277 CO 0.37 0.46 -0.06 -0.69 0.00 0.00 0.00 175.10 175.18 3d45 s VAL 278 N 1.22 3.72 0.38 2.92 1.01 -0.59 -1.17 120.40 127.89 3d45 s VAL 278 Ca 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3d45 s VAL 278 Cb -0.14 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 3d45 s VAL 278 CO -0.03 0.51 0.02 -0.83 0.00 0.00 0.00 175.10 174.78 3d45 s GLY 279 N 0.28 2.34 -0.29 4.51 0.00 -0.45 -1.37 107.32 112.34 3d45 s GLY 279 Ca -0.04 -2.21 -0.01 0.00 0.00 0.00 0.00 44.72 42.45 3d45 s GLY 279 CO 0.03 -1.99 -0.03 -1.58 0.00 0.00 0.00 173.10 169.53 3d45 s HIS 280 N -2.92 3.23 -1.14 1.90 2.46 -1.26 -0.14 115.29 117.41 3d45 s HIS 280 Ca 0.35 -1.90 -0.06 0.00 0.47 0.00 0.00 55.06 53.93 3d45 s HIS 280 Cb 0.09 -2.07 -0.03 0.00 -0.13 0.00 0.00 32.58 30.44 3d45 s HIS 280 CO 0.17 -0.81 0.88 -1.71 -2.47 0.00 0.00 174.74 170.81 3d45 n ASN 281 N 4.60 -4.44 -1.43 9.88 5.15 -1.26 -4.93 115.26 122.83 3d45 n ASN 281 Ca -0.14 -0.76 0.11 0.00 -0.60 0.00 0.00 54.58 53.19 3d45 n ASN 281 Cb 0.44 -4.71 0.33 0.00 -0.53 0.00 0.00 39.78 35.31 3d45 n ASN 281 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 3d45 n MET 282 N -3.77 3.10 -0.22 1.20 0.00 -1.26 -4.52 117.12 111.65 3d45 n MET 282 Ca -0.16 -2.68 0.00 0.00 0.00 0.00 0.00 57.70 54.86 3d45 n MET 282 Cb 0.64 -1.70 0.12 0.00 0.00 0.00 0.00 33.22 32.27 3d45 n MET 282 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3d45 h LEU 283 N 4.13 0.39 0.04 3.17 6.46 -1.92 -0.46 115.31 127.12 3d45 h LEU 283 Ca 0.00 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3d45 h LEU 283 Cb 1.16 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3d45 h LEU 283 CO 0.10 0.23 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.06 3d45 h LEU 284 N 0.54 -0.05 -0.40 2.25 3.38 -1.95 -0.83 115.31 118.25 3d45 h LEU 284 Ca 0.32 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3d45 h LEU 284 Cb 0.33 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 3d45 h LEU 284 CO -0.26 0.31 -0.40 0.44 0.09 0.00 0.00 178.44 178.62 3d45 h ASP 285 N -0.41 -1.32 0.01 -0.43 3.32 -1.77 -0.91 116.42 114.92 3d45 h ASP 285 Ca -0.01 0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3d45 h ASP 285 Cb 0.37 0.59 -0.06 0.00 0.22 0.00 0.00 39.33 40.45 3d45 h ASP 285 CO 0.01 -0.36 -0.49 0.58 -1.72 0.00 0.00 179.24 177.26 3d45 h VAL 286 N -0.31 0.06 -0.28 -1.35 2.07 -1.08 -0.39 116.25 114.96 3d45 h VAL 286 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3d45 h VAL 286 Cb 0.57 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3d45 h VAL 286 CO -0.56 0.00 -0.14 0.24 0.02 0.00 0.00 177.57 177.13 3d45 h MET 287 N -0.65 -0.10 -0.21 1.57 2.86 0.13 -1.46 114.93 117.07 3d45 h MET 287 Ca 0.03 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3d45 h MET 287 Cb 0.71 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 3d45 h MET 287 CO -0.34 -0.07 -0.09 0.45 1.06 0.00 0.00 176.91 177.92 3d45 h HIS 288 N -0.11 -0.21 -0.42 -0.22 -0.00 -1.14 0.18 115.15 113.23 3d45 h HIS 288 Ca 0.15 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.63 3d45 h HIS 288 Cb 0.33 0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 27.79 3d45 h HIS 288 CO -0.33 -0.14 -0.11 1.15 -0.00 0.00 0.00 177.93 178.49 3d45 h THR 289 N -0.06 0.56 0.02 2.45 2.02 -0.04 0.82 112.91 118.68 3d45 h THR 289 Ca 0.11 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.07 3d45 h THR 289 Cb 0.23 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3d45 h THR 289 CO -0.25 0.00 -0.95 0.16 0.37 0.00 0.00 175.52 174.84 3d45 h ILE 290 N -0.01 1.47 -0.60 3.11 3.07 -1.27 -2.01 117.51 121.27 3d45 h ILE 290 Ca 0.20 -2.66 0.03 0.00 1.55 0.00 0.00 64.86 63.99 3d45 h ILE 290 Cb 0.32 2.53 -0.04 0.00 -0.27 0.00 0.00 36.82 39.36 3d45 h ILE 290 CO -0.44 0.78 0.36 -0.74 -1.05 0.00 0.00 178.15 177.06 3d45 h HIS 291 N 0.14 0.67 0.09 0.16 2.76 0.70 0.15 115.15 119.81 3d45 h HIS 291 Ca -0.07 0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 57.86 3d45 h HIS 291 Cb 1.60 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 30.36 3d45 h HIS 291 CO 0.04 0.37 -1.14 1.96 -1.30 0.00 0.00 177.93 177.86 3d45 h GLN 292 N 0.70 0.42 -0.00 5.26 4.20 0.58 -3.36 115.11 122.91 3d45 h GLN 292 Ca 0.25 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3d45 h GLN 292 Cb 0.05 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3d45 h GLN 292 CO -0.12 1.23 -0.33 1.19 -0.67 0.00 0.00 178.83 180.13 3d45 n PHE 293 N -3.68 0.00 0.04 2.96 3.01 -0.76 -4.37 117.46 114.66 3d45 n PHE 293 Ca -0.09 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.37 3d45 n PHE 293 Cb 0.95 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.42 3d45 n PHE 293 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3d45 n TYR 294 N -1.09 0.00 -3.60 1.38 4.02 0.35 -3.73 117.16 114.49 3d45 n TYR 294 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.92 3d45 n TYR 294 Cb 0.12 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.43 3d45 n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d45 n PRO 296 N -0.32 0.82 -1.87 0.00 -0.04 -1.26 -3.90 135.00 128.43 3d45 n PRO 296 Ca -0.04 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 3d45 n PRO 296 Cb 0.61 -1.68 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3d45 n PRO 296 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d45 s LEU 297 N 0.99 4.35 0.73 1.53 1.02 -1.26 -4.97 118.68 121.07 3d45 s LEU 297 Ca 0.72 2.94 -0.11 0.00 0.02 0.00 0.00 54.13 57.70 3d45 s LEU 297 Cb -0.90 -3.66 0.03 0.00 0.02 0.00 0.00 46.19 41.68 3d45 s LEU 297 CO 0.55 -0.81 1.07 -2.16 0.02 0.00 0.00 176.35 175.02 3d45 s PRO 298 N -1.65 2.65 0.45 1.29 0.04 -1.26 -4.95 135.00 131.57 3d45 s PRO 298 Ca 0.54 0.83 0.15 0.00 0.04 0.00 0.00 61.00 62.56 3d45 s PRO 298 Cb -0.45 -1.97 1.07 0.00 0.04 0.00 0.00 34.50 33.19 3d45 s PRO 298 CO 0.57 -1.27 1.99 0.00 0.04 0.00 0.00 177.00 178.33 3d45 h ALA 299 N -0.84 2.06 -3.14 8.56 0.00 -1.97 -3.44 119.26 120.49 3d45 h ALA 299 Ca -0.45 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.80 3d45 h ALA 299 Cb 1.23 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 3d45 h ALA 299 CO 0.58 -0.20 -0.80 -0.51 0.00 0.00 0.00 179.25 178.32 3d45 s ASP 300 N -6.26 3.58 0.10 0.00 1.01 -1.26 -5.02 116.67 108.82 3d45 s ASP 300 Ca -0.07 -0.82 -0.23 0.00 0.71 0.00 0.00 52.55 52.14 3d45 s ASP 300 Cb 0.20 -0.34 -0.12 0.00 1.01 0.00 0.00 42.92 43.67 3d45 s ASP 300 CO 0.74 0.12 1.72 0.25 0.21 0.00 0.00 175.17 178.21 3d45 h LEU 301 N 3.14 -0.11 -0.44 1.23 5.85 -1.91 -2.24 115.31 120.83 3d45 h LEU 301 Ca -0.46 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.31 3d45 h LEU 301 Cb 1.21 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 3d45 h LEU 301 CO 0.49 -0.06 0.22 0.78 -0.34 0.00 0.00 178.44 179.53 3d45 h ASN 302 N -0.06 0.32 -0.42 1.25 2.35 -1.98 0.43 115.58 117.47 3d45 h ASN 302 Ca 0.02 0.02 0.12 0.00 -0.55 0.00 0.00 56.30 55.91 3d45 h ASN 302 Cb 0.09 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3d45 h ASN 302 CO -0.04 0.23 0.33 -0.33 -1.65 0.00 0.00 177.43 175.96 3d45 h GLU 303 N 0.44 0.00 -0.01 0.81 4.39 -1.94 -2.08 114.58 116.19 3d45 h GLU 303 Ca 0.19 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.65 3d45 h GLU 303 Cb 0.10 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3d45 h GLU 303 CO -0.14 0.00 -0.98 0.35 -1.16 0.00 0.00 179.01 177.08 3d45 h PHE 304 N 0.00 0.86 -0.62 4.33 3.57 0.38 -2.82 116.94 122.65 3d45 h PHE 304 Ca 0.20 -0.46 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 3d45 h PHE 304 Cb 0.86 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3d45 h PHE 304 CO 0.00 1.29 0.23 0.87 -2.23 0.00 0.00 178.31 178.47 3d45 h LYS 305 N 0.33 0.94 0.30 1.11 1.57 -0.26 0.31 116.57 120.87 3d45 h LYS 305 Ca -0.10 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3d45 h LYS 305 Cb 1.62 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.76 3d45 h LYS 305 CO 0.18 0.80 -0.42 0.93 -0.57 0.00 0.00 179.45 180.37 3d45 h GLU 306 N 0.87 -0.72 -0.94 3.15 4.39 -1.55 -2.63 114.58 117.15 3d45 h GLU 306 Ca 0.20 0.05 0.20 0.00 0.34 0.00 0.00 59.36 60.16 3d45 h GLU 306 Cb 0.23 0.16 -0.11 0.00 -0.10 0.00 0.00 28.75 28.93 3d45 h GLU 306 CO -0.01 -0.48 0.51 1.98 -1.16 0.00 0.00 179.01 179.85 3d45 h MET 307 N -0.75 0.58 0.10 2.33 4.05 -1.14 -2.34 114.93 117.75 3d45 h MET 307 Ca -0.03 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3d45 h MET 307 Cb 0.68 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 3d45 h MET 307 CO -0.12 0.38 -0.05 0.00 0.23 0.00 0.00 176.91 177.35 3d45 h ALA 308 N 1.67 -0.13 -0.06 0.39 0.00 -0.20 -2.92 119.26 118.01 3d45 h ALA 308 Ca 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3d45 h ALA 308 Cb 0.98 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3d45 h ALA 308 CO -0.44 -0.51 0.00 0.44 0.00 0.00 0.00 179.25 178.73 3d45 n ILE 309 N -5.09 0.10 -0.08 0.00 -5.35 -0.89 -1.01 119.36 107.04 3d45 n ILE 309 Ca -0.08 -0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 3d45 n ILE 309 Cb 0.12 -0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 37.87 3d45 n ILE 309 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d45 h VAL 311 N 0.00 1.52 -2.95 0.00 2.07 -1.42 -3.43 116.25 112.04 3d45 h VAL 311 Ca -0.47 -2.00 -0.56 0.00 0.82 0.00 0.00 66.70 64.49 3d45 h VAL 311 Cb 2.15 2.74 -0.40 0.00 -1.52 0.00 0.00 31.29 34.26 3d45 h VAL 311 CO 0.04 0.56 -0.77 -0.36 0.02 0.00 0.00 177.57 177.05 3d45 s PHE 312 N -3.12 1.03 0.46 1.57 0.40 -0.18 -3.79 117.98 114.35 3d45 s PHE 312 Ca -0.15 -1.36 0.18 0.00 -0.60 0.00 0.00 56.93 55.00 3d45 s PHE 312 Cb 0.01 -1.31 1.15 0.00 0.51 0.00 0.00 43.02 43.38 3d45 s PHE 312 CO 0.76 -0.85 1.96 -1.00 0.70 0.00 0.00 175.22 176.79 3d45 h PRO 313 N 8.14 0.28 -3.58 0.24 0.13 -1.80 -3.35 132.00 132.06 3d45 h PRO 313 Ca -0.15 -0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.42 3d45 h PRO 313 Cb 1.01 -0.06 -0.40 0.00 0.13 0.00 0.00 31.00 31.68 3d45 h PRO 313 CO 0.45 0.19 -0.76 1.03 -0.23 0.00 0.00 178.00 178.67 3d45 s ARG 314 N -5.29 0.73 -0.04 0.86 0.52 -1.26 -4.90 118.95 109.57 3d45 s ARG 314 Ca -0.07 -0.62 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 3d45 s ARG 314 Cb 0.20 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 3d45 s ARG 314 CO 0.75 -0.73 -0.21 -0.51 0.02 0.00 0.00 175.30 174.62 3d45 s LEU 315 N 1.77 2.33 -0.06 2.53 2.01 -1.26 -0.11 118.68 125.89 3d45 s LEU 315 Ca 0.01 -0.37 -0.02 0.00 0.01 0.00 0.00 54.13 53.76 3d45 s LEU 315 Cb -0.17 -1.43 0.04 0.00 0.01 0.00 0.00 46.19 44.63 3d45 s LEU 315 CO -0.13 0.31 0.11 -0.22 1.01 0.00 0.00 176.35 177.44 3d45 s LEU 316 N -0.57 0.41 -0.39 1.79 0.20 -0.32 0.01 118.68 119.82 3d45 s LEU 316 Ca 0.08 0.22 -0.18 0.00 0.69 0.00 0.00 54.13 54.94 3d45 s LEU 316 Cb -0.11 0.15 0.01 0.00 -0.43 0.00 0.00 46.19 45.81 3d45 s LEU 316 CO 0.00 -0.20 0.48 -0.62 -0.29 0.00 0.00 176.35 175.73 3d45 s ASP 317 N 1.72 6.25 0.24 3.68 -1.08 -1.26 -1.35 116.67 124.88 3d45 s ASP 317 Ca -0.02 -0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 51.64 3d45 s ASP 317 Cb -0.12 -2.25 0.40 0.00 -1.46 0.00 0.00 42.92 39.49 3d45 s ASP 317 CO -0.05 -0.54 1.79 0.71 0.52 0.00 0.00 175.17 177.61 3d45 h THR 318 N 5.68 0.87 -0.22 1.71 1.35 -0.91 -2.12 112.91 119.27 3d45 h THR 318 Ca -0.27 -0.25 0.01 0.00 -0.55 0.00 0.00 66.41 65.35 3d45 h THR 318 Cb 1.12 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3d45 h THR 318 CO 0.79 0.13 0.15 0.50 -0.25 0.00 0.00 175.52 176.83 3d45 h LYS 319 N 0.72 0.28 -0.20 4.72 3.64 -1.89 -0.34 116.57 123.50 3d45 h LYS 319 Ca 0.40 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.58 3d45 h LYS 319 Cb 0.41 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3d45 h LYS 319 CO -0.27 0.18 -0.56 1.25 -2.27 0.00 0.00 179.45 177.78 3d45 h LEU 320 N 0.29 0.83 0.38 5.20 5.85 -1.77 -2.65 115.31 123.43 3d45 h LEU 320 Ca 0.08 -0.58 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3d45 h LEU 320 Cb -0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3d45 h LEU 320 CO -0.02 1.27 -0.36 -0.03 -0.34 0.00 0.00 178.44 178.96 3d45 h MET 321 N 0.44 -0.73 0.00 1.25 4.05 -0.97 -0.33 114.93 118.64 3d45 h MET 321 Ca -0.01 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3d45 h MET 321 Cb 1.18 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 3d45 h MET 321 CO 0.12 -0.48 0.10 0.00 0.23 0.00 0.00 176.91 176.88 3d45 n ALA 322 N -2.65 0.87 -1.08 0.39 0.00 -0.24 -1.81 120.51 115.99 3d45 n ALA 322 Ca -0.10 0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 3d45 n ALA 322 Cb 0.37 -1.03 0.29 0.00 0.00 0.00 0.00 19.45 19.07 3d45 n ALA 322 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d45 n SER 323 N -1.95 4.33 -4.10 0.00 7.64 -0.14 -4.14 113.62 115.26 3d45 n SER 323 Ca -0.01 -3.23 -0.08 0.00 1.01 0.00 0.00 58.87 56.56 3d45 n SER 323 Cb 0.12 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 3d45 n SER 323 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3d45 s THR 324 N -2.98 0.18 0.30 0.44 -4.23 -0.75 -4.68 115.64 103.92 3d45 s THR 324 Ca 0.51 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.90 3d45 s THR 324 Cb 0.41 -1.68 -0.13 0.00 1.34 0.00 0.00 72.50 72.45 3d45 s THR 324 CO 0.11 -0.83 1.36 0.00 -0.54 0.00 0.00 174.62 174.72 3d45 n GLN 325 N 0.04 2.16 0.00 3.99 1.13 -1.26 0.18 117.38 123.62 3d45 n GLN 325 Ca -0.11 0.76 0.14 0.00 -1.94 0.00 0.00 57.00 55.85 3d45 n GLN 325 Cb 0.62 -2.39 0.59 0.00 0.11 0.00 0.00 30.24 29.17 3d45 n GLN 325 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3d45 n PRO 326 N 1.19 0.81 0.24 -1.09 -0.05 -1.26 -4.80 135.00 130.02 3d45 n PRO 326 Ca 0.07 -0.31 0.11 0.00 -0.05 0.00 0.00 63.50 63.32 3d45 n PRO 326 Cb 0.35 -1.49 0.54 0.00 -0.05 0.00 0.00 33.50 32.84 3d45 n PRO 326 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 3d45 h PHE 327 N 0.77 0.00 -0.64 0.54 -1.00 0.16 -3.10 116.94 113.66 3d45 h PHE 327 Ca 0.00 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.85 3d45 h PHE 327 Cb 0.37 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.89 3d45 h PHE 327 CO 0.00 0.18 0.43 -0.22 -1.61 0.00 0.00 178.31 177.09 3d45 h LYS 328 N 0.00 0.58 0.00 1.51 3.11 -0.38 -0.92 116.57 120.47 3d45 h LYS 328 Ca -0.00 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.64 3d45 h LYS 328 Cb 0.64 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.71 3d45 h LYS 328 CO 0.02 0.39 -1.13 -0.44 -2.81 0.00 0.00 179.45 175.48 3d45 h ASP 329 N 0.60 0.00 0.61 4.20 5.19 -1.83 -3.37 116.42 121.82 3d45 h ASP 329 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 3d45 h ASP 329 Cb 0.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3d45 h ASP 329 CO -0.09 0.61 -1.31 -0.38 -3.12 0.00 0.00 179.24 174.96 3d45 n ILE 330 N -3.03 0.36 -5.21 0.35 5.41 -0.98 -4.89 119.36 111.37 3d45 n ILE 330 Ca -0.06 -0.49 -0.32 0.00 1.00 0.00 0.00 62.75 62.89 3d45 n ILE 330 Cb 0.83 -0.15 -0.17 0.00 -0.71 0.00 0.00 39.64 39.44 3d45 n ILE 330 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3d45 s ILE 331 N -3.39 2.03 -0.06 1.39 1.01 -0.39 -5.02 121.20 116.78 3d45 s ILE 331 Ca -0.02 -1.02 0.10 0.00 0.00 0.00 0.00 60.65 59.71 3d45 s ILE 331 Cb 0.12 -1.75 -0.14 0.00 0.01 0.00 0.00 42.46 40.70 3d45 s ILE 331 CO 0.83 0.56 0.23 -3.20 0.00 0.00 0.00 174.94 173.35 3d45 n ASN 332 N 3.37 2.56 -3.90 3.58 4.05 -1.26 -4.75 115.26 118.92 3d45 n ASN 332 Ca -0.19 -0.07 -0.21 0.00 0.45 0.00 0.00 54.58 54.56 3d45 n ASN 332 Cb 0.53 1.39 -0.17 0.00 1.23 0.00 0.00 39.78 42.77 3d45 n ASN 332 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 3d45 s ASN 333 N -2.98 1.19 -0.11 1.20 3.84 -1.26 -5.04 114.94 111.77 3d45 s ASN 333 Ca -0.03 -0.16 0.14 0.00 0.21 0.00 0.00 52.86 53.03 3d45 s ASN 333 Cb 0.06 -0.52 0.37 0.00 -0.55 0.00 0.00 41.25 40.62 3d45 s ASN 333 CO 0.40 -0.06 1.28 0.35 -2.79 0.00 0.00 177.10 176.28 3d45 n THR 334 N 4.17 1.81 -1.71 -5.21 -2.24 -1.26 -4.06 114.28 105.79 3d45 n THR 334 Ca -0.22 -1.71 -0.43 0.00 -2.27 0.00 0.00 64.05 59.42 3d45 n THR 334 Cb 0.51 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3d45 n THR 334 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3d45 n SER 335 N -0.53 2.95 -0.14 3.42 2.88 -1.26 -4.76 113.62 116.18 3d45 n SER 335 Ca 0.16 1.20 -0.04 0.00 -1.33 0.00 0.00 58.87 58.85 3d45 n SER 335 Cb 0.68 -1.50 0.02 0.00 -0.75 0.00 0.00 64.21 62.66 3d45 n SER 335 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3d45 h LEU 336 N 3.01 -0.58 -0.91 2.46 5.85 -1.97 0.46 115.31 123.63 3d45 h LEU 336 Ca -0.46 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 3d45 h LEU 336 Cb 1.27 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 3d45 h LEU 336 CO 0.66 -0.20 0.34 0.00 -0.34 0.00 0.00 178.44 178.90 3d45 h ALA 337 N 1.31 1.14 -0.36 1.25 0.00 -1.98 -0.42 119.26 120.20 3d45 h ALA 337 Ca 0.22 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3d45 h ALA 337 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3d45 h ALA 337 CO -0.50 0.63 -0.38 0.93 0.00 0.00 0.00 179.25 179.93 3d45 h GLU 338 N 1.11 0.86 -0.63 0.00 4.39 -1.72 -3.04 114.58 115.55 3d45 h GLU 338 Ca 0.26 -0.45 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 3d45 h GLU 338 Cb 0.16 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3d45 h GLU 338 CO -0.03 1.09 0.21 1.25 -1.16 0.00 0.00 179.01 180.37 3d45 h LEU 339 N 0.71 0.88 -1.20 1.33 5.85 0.36 -1.86 115.31 121.38 3d45 h LEU 339 Ca 0.06 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 3d45 h LEU 339 Cb 0.96 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3d45 h LEU 339 CO 0.09 0.82 -0.15 1.05 -0.34 0.00 0.00 178.44 179.91 3d45 h GLU 340 N 0.93 0.37 -0.09 1.25 -0.00 -1.00 -2.42 114.58 113.61 3d45 h GLU 340 Ca 0.21 -0.10 -0.09 0.00 -0.00 0.00 0.00 59.36 59.37 3d45 h GLU 340 Cb 0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.96 3d45 h GLU 340 CO -0.01 0.52 -0.31 0.87 -0.00 0.00 0.00 179.01 180.08 3d45 h LYS 341 N 0.34 0.38 -0.28 1.06 6.56 -1.32 -3.30 116.57 120.01 3d45 h LYS 341 Ca 0.06 -0.28 -0.04 0.00 -1.06 0.00 0.00 60.65 59.34 3d45 h LYS 341 Cb 0.48 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 3d45 h LYS 341 CO 0.03 0.90 0.01 -0.09 -2.06 0.00 0.00 179.45 178.24 3d45 h ARG 342 N -0.08 0.42 -0.03 3.15 9.65 -1.23 -2.04 114.38 124.22 3d45 h ARG 342 Ca -0.01 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3d45 h ARG 342 Cb 0.94 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 3d45 h ARG 342 CO 0.07 0.44 0.00 1.28 2.80 0.00 0.00 179.97 184.56 3d45 n LEU 343 N -4.32 0.21 -0.00 3.80 4.77 -0.92 -2.90 117.00 117.64 3d45 n LEU 343 Ca 0.01 -0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.73 3d45 n LEU 343 Cb 0.21 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 3d45 n LEU 343 CO 0.38 0.05 -0.66 0.11 -1.33 0.00 0.00 177.39 175.93 3d45 h LYS 344 N 0.26 0.16 -6.91 3.23 1.57 -1.44 -3.36 116.57 110.06 3d45 h LYS 344 Ca 0.00 -0.27 -0.45 0.00 -1.87 0.00 0.00 60.65 58.06 3d45 h LYS 344 Cb 0.06 0.10 0.05 0.00 0.08 0.00 0.00 32.23 32.52 3d45 h LYS 344 CO 0.00 0.91 0.02 -1.21 -0.57 0.00 0.00 179.45 178.60 3d45 s GLU 345 N -2.58 2.66 0.57 3.15 8.01 -1.14 -4.22 118.70 125.15 3d45 s GLU 345 Ca -0.14 -0.53 -0.19 0.00 0.01 0.00 0.00 54.97 54.13 3d45 s GLU 345 Cb 0.07 -2.43 -0.07 0.00 -4.31 0.00 0.00 34.13 27.40 3d45 s GLU 345 CO 0.80 -0.69 0.77 2.41 0.01 0.00 0.00 175.26 178.56 3d45 n THR 346 N -2.40 2.98 0.46 3.63 -1.04 -1.26 -1.00 114.28 115.66 3d45 n THR 346 Ca 0.06 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.52 3d45 n THR 346 Cb 0.59 -0.93 0.06 0.00 -1.82 0.00 0.00 70.33 68.22 3d45 n THR 346 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3d45 n PRO 347 N -0.51 1.44 -3.79 -2.82 -0.04 -1.26 -5.03 135.00 122.99 3d45 n PRO 347 Ca 0.13 -0.75 -0.23 0.00 -0.04 0.00 0.00 63.50 62.60 3d45 n PRO 347 Cb 0.47 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3d45 n PRO 347 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3d45 s PHE 348 N -0.94 2.35 -0.08 0.54 0.40 -0.17 -4.94 117.98 115.14 3d45 s PHE 348 Ca 0.14 -0.62 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 3d45 s PHE 348 Cb 0.12 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.62 3d45 s PHE 348 CO 0.03 -0.17 0.21 -0.51 0.70 0.00 0.00 175.22 175.48 3d45 s ASP 349 N -4.13 -0.22 -0.15 1.36 1.01 -1.26 -4.57 116.67 108.71 3d45 s ASP 349 Ca 0.42 0.42 -0.29 0.00 0.71 0.00 0.00 52.55 53.82 3d45 s ASP 349 Cb -0.01 0.42 -0.05 0.00 1.01 0.00 0.00 42.92 44.29 3d45 s ASP 349 CO 0.25 -0.08 1.77 -2.84 0.21 0.00 0.00 175.17 174.48 3d45 s PRO 350 N 0.20 3.82 0.18 8.23 0.02 -1.26 -4.81 135.00 141.38 3d45 s PRO 350 Ca -0.01 1.96 -0.28 0.00 0.02 0.00 0.00 61.00 62.70 3d45 s PRO 350 Cb -0.02 -4.10 -0.16 0.00 0.02 0.00 0.00 34.50 30.24 3d45 s PRO 350 CO -0.00 -1.28 0.53 -0.35 -0.33 0.00 0.00 177.00 175.57 3d45 n PRO 351 N 7.71 0.00 -2.02 5.54 -0.04 -1.26 -4.84 135.00 140.09 3d45 n PRO 351 Ca 0.20 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.27 3d45 n PRO 351 Cb 0.44 -0.99 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 3d45 n PRO 351 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3d45 s LYS 352 N -0.89 2.78 0.10 0.54 2.20 -1.26 -4.97 119.74 118.25 3d45 s LYS 352 Ca 0.63 0.83 0.10 0.00 -0.36 0.00 0.00 55.97 57.17 3d45 s LYS 352 Cb -0.91 -4.35 -0.04 0.00 -1.51 0.00 0.00 37.83 31.03 3d45 s LYS 352 CO 0.54 -2.54 -0.26 0.54 -0.36 0.00 0.00 175.35 173.27 3d45 s VAL 353 N 8.66 2.14 0.07 4.02 0.11 -1.26 -0.82 120.40 133.32 3d45 s VAL 353 Ca 0.71 -1.63 -0.10 0.00 -2.93 0.00 0.00 61.98 58.03 3d45 s VAL 353 Cb -0.15 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 3d45 s VAL 353 CO 0.24 0.14 0.22 -0.70 -3.33 0.00 0.00 175.10 171.66 3d45 s GLU 354 N -1.82 0.79 0.62 1.54 2.12 0.32 -4.88 118.70 117.38 3d45 s GLU 354 Ca 0.12 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.72 3d45 s GLU 354 Cb -0.10 0.33 0.09 0.00 0.26 0.00 0.00 34.13 34.71 3d45 s GLU 354 CO 0.05 -0.25 0.85 -1.54 -0.54 0.00 0.00 175.26 173.83 3d45 s SER 355 N -2.48 4.86 0.00 -1.70 1.04 -1.26 0.04 113.70 114.20 3d45 s SER 355 Ca -0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3d45 s SER 355 Cb 0.02 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3d45 s SER 355 CO -0.08 -1.47 0.00 0.00 0.98 0.00 0.00 173.24 172.67 3d45 n ALA 356 N -2.48 0.00 -0.56 5.32 0.00 -0.93 -4.58 120.51 117.28 3d45 n ALA 356 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3d45 n ALA 356 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3d45 n ALA 356 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d45 n GLU 357 N -1.77 1.31 -1.86 0.00 -0.58 -1.26 -5.09 120.64 111.39 3d45 n GLU 357 Ca 0.00 -0.93 -0.38 0.00 -0.42 0.00 0.00 57.16 55.43 3d45 n GLU 357 Cb 0.00 -0.72 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 3d45 n GLU 357 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3d45 s HIS 370 N -0.44 1.45 0.29 -0.32 2.46 -1.26 -5.24 115.29 112.23 3d45 s HIS 370 Ca 0.00 1.06 0.05 0.00 0.47 0.00 0.00 55.06 56.63 3d45 s HIS 370 Cb 0.00 -3.91 -0.06 0.00 -0.13 0.00 0.00 32.58 28.48 3d45 s HIS 370 CO 0.00 -2.45 0.01 -1.21 -2.47 0.00 0.00 174.74 168.61 3d45 s GLU 371 N 7.40 1.55 0.20 2.88 2.02 -1.26 -4.90 118.70 126.58 3d45 s GLU 371 Ca 0.79 -1.82 -0.09 0.00 0.02 0.00 0.00 54.97 53.88 3d45 s GLU 371 Cb -0.15 -0.91 0.11 0.00 0.10 0.00 0.00 34.13 33.28 3d45 s GLU 371 CO 0.23 -0.09 1.72 0.00 0.02 0.00 0.00 175.26 177.15 3d45 h ALA 372 N 2.25 0.93 -0.25 5.21 0.00 -1.89 -1.26 119.26 124.24 3d45 h ALA 372 Ca -0.40 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3d45 h ALA 372 Cb 1.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3d45 h ALA 372 CO 0.68 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.97 3d45 n GLY 373 N -0.70 -2.73 0.35 0.00 0.00 -1.26 -1.27 105.19 99.57 3d45 n GLY 373 Ca 0.05 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.36 3d45 n GLY 373 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3d45 h TYR 374 N 0.00 -0.37 -0.77 1.61 3.20 -1.89 0.37 116.97 119.13 3d45 h TYR 374 Ca 0.00 0.08 0.12 0.00 3.14 0.00 0.00 58.73 62.07 3d45 h TYR 374 Cb 0.00 0.32 -0.08 0.00 1.54 0.00 0.00 36.73 38.50 3d45 h TYR 374 CO -0.16 -0.42 0.38 -0.44 -1.64 0.00 0.00 178.16 175.88 3d45 h ASP 375 N 0.00 0.46 0.71 -2.11 5.19 -1.13 0.75 116.42 120.29 3d45 h ASP 375 Ca 0.50 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.96 3d45 h ASP 375 Cb 0.86 0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.38 3d45 h ASP 375 CO -0.97 0.23 -0.34 0.00 -3.12 0.00 0.00 179.24 175.04 3d45 h ALA 376 N 1.49 -0.95 -0.99 3.45 0.00 0.10 0.28 119.26 122.65 3d45 h ALA 376 Ca 0.40 -0.22 0.31 0.00 0.00 0.00 0.00 54.91 55.40 3d45 h ALA 376 Cb 0.50 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 18.48 3d45 h ALA 376 CO -0.32 -0.97 0.17 -0.92 0.00 0.00 0.00 179.25 177.22 3d45 h TYR 377 N -1.08 0.20 0.13 0.00 5.03 -0.84 0.24 116.97 120.65 3d45 h TYR 377 Ca -0.10 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 3d45 h TYR 377 Cb 0.75 0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.11 3d45 h TYR 377 CO -0.01 -0.44 -0.06 0.82 -1.32 0.00 0.00 178.16 177.15 3d45 h ILE 378 N 0.01 1.04 -0.77 1.81 1.08 -0.64 -2.92 117.51 117.11 3d45 h ILE 378 Ca 0.67 -0.98 0.15 0.00 -0.39 0.00 0.00 64.86 64.31 3d45 h ILE 378 Cb 1.52 1.62 -0.15 0.00 -3.07 0.00 0.00 36.82 36.74 3d45 h ILE 378 CO -0.88 0.22 -0.23 0.74 -0.69 0.00 0.00 178.15 177.32 3d45 h THR 379 N -0.67 0.19 -0.74 -0.27 2.02 0.18 0.70 112.91 114.33 3d45 h THR 379 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3d45 h THR 379 Cb 0.50 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3d45 h THR 379 CO 0.03 0.00 0.28 1.23 0.37 0.00 0.00 175.52 177.43 3d45 h GLY 380 N -0.02 1.19 1.38 2.16 0.00 -0.72 -2.45 103.07 104.62 3d45 h GLY 380 Ca 0.36 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3d45 h GLY 380 CO -0.80 0.62 -0.05 1.41 0.00 0.00 0.00 176.54 177.71 3d45 h LEU 381 N 1.08 0.72 -0.24 3.11 3.38 -0.73 -1.44 115.31 121.20 3d45 h LEU 381 Ca 0.25 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3d45 h LEU 381 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3d45 h LEU 381 CO -0.02 0.82 0.12 0.00 0.09 0.00 0.00 178.44 179.45 3d45 h PHE 383 N 0.25 0.39 -0.34 0.00 3.57 -0.88 -0.26 116.94 119.69 3d45 h PHE 383 Ca 0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3d45 h PHE 383 Cb 0.02 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3d45 h PHE 383 CO -0.09 0.11 0.09 0.82 -2.23 0.00 0.00 178.31 177.00 3d45 h ILE 384 N 0.41 1.22 -0.90 1.41 2.04 -1.10 0.28 117.51 120.86 3d45 h ILE 384 Ca 0.30 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3d45 h ILE 384 Cb 0.36 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3d45 h ILE 384 CO -0.30 0.25 0.59 -1.28 0.00 0.00 0.00 178.15 177.41 3d45 h SER 385 N 0.39 1.00 0.73 1.72 0.87 -0.47 -0.13 113.55 117.66 3d45 h SER 385 Ca 0.11 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.49 3d45 h SER 385 Cb 0.29 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3d45 h SER 385 CO 0.00 0.71 -0.75 0.24 -0.53 0.00 0.00 176.83 176.49 3d45 h MET 386 N 1.18 0.02 0.29 2.24 2.86 -0.73 -2.26 114.93 118.53 3d45 h MET 386 Ca 0.34 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3d45 h MET 386 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3d45 h MET 386 CO -0.09 0.76 -0.14 0.00 1.06 0.00 0.00 176.91 178.50 3d45 h ALA 387 N 1.23 -0.39 -0.59 6.32 0.00 0.08 -2.38 119.26 123.54 3d45 h ALA 387 Ca -0.01 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.84 3d45 h ALA 387 Cb 1.33 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 3d45 h ALA 387 CO 0.10 -0.56 -0.25 -0.91 0.00 0.00 0.00 179.25 177.62 3d45 h ASN 388 N -0.69 -0.89 -0.33 0.00 2.35 -1.05 -1.78 115.58 113.19 3d45 h ASN 388 Ca -0.04 0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3d45 h ASN 388 Cb 0.48 0.49 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 3d45 h ASN 388 CO 0.06 -0.27 0.13 0.22 -1.65 0.00 0.00 177.43 175.93 3d45 h TYR 389 N -0.10 0.24 -0.97 1.19 3.20 -1.46 -2.69 116.97 116.38 3d45 h TYR 389 Ca 0.26 0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.38 3d45 h TYR 389 Cb 0.52 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.65 3d45 h TYR 389 CO -0.57 0.11 0.63 1.25 -1.64 0.00 0.00 178.16 177.95 3d45 h LEU 390 N 0.29 0.44 0.00 2.82 5.85 -0.78 -3.52 115.31 120.42 3d45 h LEU 390 Ca 0.15 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3d45 h LEU 390 Cb 0.10 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3d45 h LEU 390 CO -0.14 0.14 0.00 0.61 -0.34 0.00 0.00 178.44 178.72 3d45 n GLY 391 N -1.49 0.85 0.00 3.75 0.00 -1.02 -5.12 105.19 102.16 3d45 n GLY 391 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3d45 n GLY 391 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d45 n SER 405 N 0.00 0.00 -0.01 1.61 7.64 -1.26 -4.97 113.62 116.64 3d45 n SER 405 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 3d45 n SER 405 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 3d45 n SER 405 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3d45 n LYS 406 N -1.94 0.64 0.27 1.43 4.76 -1.26 -4.30 118.16 117.77 3d45 n LYS 406 Ca 0.00 -0.13 0.15 0.00 -2.87 0.00 0.00 58.31 55.46 3d45 n LYS 406 Cb 0.00 -1.36 0.77 0.00 -1.84 0.00 0.00 35.03 32.60 3d45 n LYS 406 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3d45 h LEU 407 N 0.00 0.00 0.00 -0.35 3.38 -2.01 -2.94 115.31 113.39 3d45 h LEU 407 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3d45 h LEU 407 Cb 0.69 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 3d45 h LEU 407 CO 0.00 0.08 -1.88 0.00 0.09 0.00 0.00 178.44 176.74 3d45 n ILE 408 N -3.37 1.43 -0.36 1.22 0.13 -1.26 -4.53 119.36 112.61 3d45 n ILE 408 Ca -0.01 -0.79 -0.01 0.00 -1.10 0.00 0.00 62.75 60.84 3d45 n ILE 408 Cb 0.25 -0.79 0.04 0.00 -0.84 0.00 0.00 39.64 38.30 3d45 n ILE 408 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 3d45 n GLU 409 N -2.91 -0.22 -0.51 9.51 2.13 -1.11 -1.44 120.64 126.10 3d45 n GLU 409 Ca -0.20 1.45 0.44 0.00 0.66 0.00 0.00 57.16 59.50 3d45 n GLU 409 Cb 1.04 -2.14 0.76 0.00 0.27 0.00 0.00 31.44 31.36 3d45 n GLU 409 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3d45 h PRO 410 N 0.00 0.00 0.00 5.31 0.10 -1.80 0.06 132.00 135.68 3d45 h PRO 410 Ca 0.33 0.00 -0.17 0.00 0.10 0.00 0.00 66.00 66.26 3d45 h PRO 410 Cb 0.56 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 31.64 3d45 h PRO 410 CO -0.93 0.00 -0.82 0.74 0.10 0.00 0.00 178.00 177.09 3d45 h PHE 411 N 0.00 0.00 -1.47 0.65 -1.00 -1.59 -3.47 116.94 110.06 3d45 h PHE 411 Ca 0.75 0.00 -0.70 0.00 2.81 0.00 0.00 57.97 60.83 3d45 h PHE 411 Cb 3.13 0.00 0.08 0.00 3.61 0.00 0.00 35.95 42.77 3d45 h PHE 411 CO 0.00 0.81 0.07 1.19 -1.61 0.00 0.00 178.31 178.76 3d45 n PHE 412 N -3.30 0.78 -1.96 -0.55 0.99 0.01 -2.18 117.46 111.25 3d45 n PHE 412 Ca 0.01 0.84 -0.17 0.00 -0.00 0.00 0.00 57.45 58.13 3d45 n PHE 412 Cb 0.86 -2.17 -0.04 0.00 -1.00 0.00 0.00 39.48 37.13 3d45 n PHE 412 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3d45 n ASN 413 N 1.89 -4.81 -4.37 4.37 5.03 0.10 -4.78 115.26 112.69 3d45 n ASN 413 Ca 0.17 0.25 -0.37 0.00 0.87 0.00 0.00 54.58 55.50 3d45 n ASN 413 Cb 0.19 -4.18 -0.13 0.00 -1.02 0.00 0.00 39.78 34.65 3d45 n ASN 413 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3d45 s LYS 414 N -4.25 3.29 0.11 3.52 1.02 -0.92 -3.49 119.74 119.01 3d45 s LYS 414 Ca 0.00 -0.72 -0.04 0.00 0.02 0.00 0.00 55.97 55.23 3d45 s LYS 414 Cb 0.00 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 3d45 s LYS 414 CO 0.00 -0.34 0.34 -0.51 -0.92 0.00 0.00 175.35 173.92 3d45 s LEU 415 N 1.53 4.30 0.06 3.17 1.43 -1.26 -4.31 118.68 123.61 3d45 s LEU 415 Ca 0.04 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 3d45 s LEU 415 Cb -0.16 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 3d45 s LEU 415 CO 0.02 0.11 0.94 0.12 0.23 0.00 0.00 176.35 177.77 3d45 s PHE 416 N -1.57 3.75 -0.12 0.29 5.36 -1.26 0.63 117.98 125.06 3d45 s PHE 416 Ca 0.38 1.72 -0.06 0.00 -0.96 0.00 0.00 56.93 58.01 3d45 s PHE 416 Cb -0.13 -3.05 -0.04 0.00 -0.34 0.00 0.00 43.02 39.47 3d45 s PHE 416 CO 0.24 0.14 0.09 -1.17 -1.46 0.00 0.00 175.22 173.06 3d45 s LEU 417 N 0.35 4.10 0.03 6.12 2.96 0.58 -4.60 118.68 128.22 3d45 s LEU 417 Ca 0.47 0.33 0.24 0.00 -0.22 0.00 0.00 54.13 54.96 3d45 s LEU 417 Cb -0.22 -1.99 0.33 0.00 0.50 0.00 0.00 46.19 44.81 3d45 s LEU 417 CO 0.28 0.37 1.28 0.23 -1.32 0.00 0.00 176.35 177.20 3d45 n MET 418 N 2.21 0.09 0.00 1.98 2.81 -1.26 -4.71 117.12 118.24 3d45 n MET 418 Ca -0.19 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 3d45 n MET 418 Cb 0.54 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3d45 n MET 418 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3d45 n ARG 419 N -1.67 0.00 0.00 0.03 -4.01 -1.26 -4.94 116.66 104.81 3d45 n ARG 419 Ca 0.04 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.85 3d45 n ARG 419 Cb 0.37 -0.05 0.00 0.00 -3.04 0.00 0.00 32.46 29.74 3d45 n ARG 419 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 3d45 n ILE 423 N 0.00 0.00 0.19 8.89 -5.35 -1.26 -4.42 119.36 117.41 3d45 n ILE 423 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 3d45 n ILE 423 Cb 0.00 0.00 0.57 0.00 -1.74 0.00 0.00 39.64 38.47 3d45 n ILE 423 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 3d45 h PRO 424 N 0.00 0.00 -4.26 6.28 0.11 -1.97 -3.42 132.00 128.74 3d45 h PRO 424 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 3d45 h PRO 424 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 3d45 h PRO 424 CO 0.00 0.00 -0.30 1.52 -0.21 0.00 0.00 178.00 179.01 3d45 s TYR 425 N -3.56 1.09 0.00 0.65 1.13 -1.26 -0.30 117.35 115.10 3d45 s TYR 425 Ca -0.02 -1.28 0.00 0.00 -1.41 0.00 0.00 57.07 54.35 3d45 s TYR 425 Cb 0.06 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.69 3d45 s TYR 425 CO 0.19 -0.99 0.00 -0.11 -2.51 0.00 0.00 175.55 172.13 3d45 n LEU 426 N -0.50 0.00 -0.09 -3.49 0.00 0.21 -4.72 117.00 108.41 3d45 n LEU 426 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.89 3d45 n LEU 426 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.97 3d45 n LEU 426 CO 0.30 0.00 -0.41 -0.55 0.00 0.00 0.00 177.39 176.73 3d45 h ASN 427 N 0.00 0.00 -0.22 1.96 -0.00 -1.86 -3.41 115.58 112.05 3d45 h ASN 427 Ca 0.00 -0.31 -0.09 0.00 -0.00 0.00 0.00 56.30 55.90 3d45 h ASN 427 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.28 3d45 h ASN 427 CO 0.00 1.16 -0.08 -0.11 -0.00 0.00 0.00 177.43 178.40 3d45 n LEU 428 N -4.52 -0.35 -2.94 6.14 0.00 -1.23 -3.19 117.00 110.92 3d45 n LEU 428 Ca -0.21 0.11 -0.15 0.00 0.00 0.00 0.00 56.01 55.76 3d45 n LEU 428 Cb 0.49 -1.01 0.07 0.00 0.00 0.00 0.00 43.42 42.97 3d45 n LEU 428 CO 0.15 -0.23 0.12 -0.62 0.00 0.00 0.00 177.39 176.81 3d45 n GLU 429 N -2.83 -5.55 -0.08 1.96 1.02 -1.24 -4.85 120.64 109.06 3d45 n GLU 429 Ca -0.04 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 3d45 n GLU 429 Cb 0.16 -5.18 -0.00 0.00 -0.02 0.00 0.00 31.44 26.40 3d45 n GLU 429 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d45 n GLY 430 N -1.26 -2.84 4.00 0.62 0.00 -1.19 -5.10 105.19 99.41 3d45 n GLY 430 Ca -0.17 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 3d45 n GLY 430 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d45 s PRO 431 N -4.00 1.69 -0.09 1.61 0.04 -1.26 -5.04 135.00 127.96 3d45 s PRO 431 Ca 0.00 -1.27 -0.04 0.00 0.04 0.00 0.00 61.00 59.73 3d45 s PRO 431 Cb 0.00 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 3d45 s PRO 431 CO 0.00 -1.42 -0.07 -0.44 0.04 0.00 0.00 177.00 175.11 3d45 h ASP 432 N -0.46 0.00 -1.41 6.66 3.45 -1.81 -3.45 116.42 119.41 3d45 h ASP 432 Ca -0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.12 3d45 h ASP 432 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3d45 h ASP 432 CO 0.39 0.47 0.00 -0.11 -1.57 0.00 0.00 179.24 178.41 3d45 n LEU 433 N -3.99 0.00 -3.31 1.55 7.94 -1.26 -4.79 117.00 113.14 3d45 n LEU 433 Ca -0.03 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.72 3d45 n LEU 433 Cb 0.11 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.99 3d45 n LEU 433 CO 0.04 0.00 -0.13 0.00 -1.11 0.00 0.00 177.39 176.19 3d45 s GLN 434 N -1.84 0.72 1.01 1.96 1.03 -1.26 -5.05 119.66 116.23 3d45 s GLN 434 Ca 0.00 -0.95 -0.13 0.00 0.04 0.00 0.00 55.36 54.31 3d45 s GLN 434 Cb 0.00 -0.67 0.19 0.00 0.03 0.00 0.00 33.01 32.57 3d45 s GLN 434 CO 0.00 -1.23 1.11 -2.14 -2.54 0.00 0.00 175.29 170.50 3d45 s PRO 435 N 1.28 0.33 -0.54 9.60 0.02 -1.26 -4.86 135.00 139.57 3d45 s PRO 435 Ca 0.19 0.32 -0.27 0.00 0.02 0.00 0.00 61.00 61.27 3d45 s PRO 435 Cb -0.12 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3d45 s PRO 435 CO -0.04 -2.75 1.91 0.21 -0.33 0.00 0.00 177.00 175.99 3d45 s LYS 436 N -5.14 2.70 0.00 5.54 2.20 -1.26 -4.81 119.74 118.96 3d45 s LYS 436 Ca 0.66 0.85 0.18 0.00 -0.36 0.00 0.00 55.97 57.30 3d45 s LYS 436 Cb -0.16 -4.37 0.91 0.00 -1.51 0.00 0.00 37.83 32.70 3d45 s LYS 436 CO 0.56 -2.63 1.53 2.89 -0.36 0.00 0.00 175.35 177.34 3d45 n ARG 437 N 9.02 0.27 0.26 4.03 -4.01 -1.26 -4.26 116.66 120.71 3d45 n ARG 437 Ca 0.23 0.11 -0.10 0.00 -1.04 0.00 0.00 57.85 57.04 3d45 n ARG 437 Cb 0.51 -1.50 -0.05 0.00 -3.04 0.00 0.00 32.46 28.39 3d45 n ARG 437 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 3d45 h ASP 438 N 0.00 -0.57 0.00 2.89 5.19 -1.97 -3.29 116.42 118.67 3d45 h ASP 438 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3d45 h ASP 438 Cb 0.16 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3d45 h ASP 438 CO 0.00 -0.40 0.00 0.00 -3.12 0.00 0.00 179.24 175.72 3d45 n HIS 439 N -3.80 0.00 -4.45 4.55 1.44 -1.26 -4.73 115.22 106.97 3d45 n HIS 439 Ca -0.08 -0.09 -0.21 0.00 -2.01 0.00 0.00 57.72 55.33 3d45 n HIS 439 Cb 0.26 -0.10 -0.14 0.00 0.12 0.00 0.00 29.99 30.14 3d45 n HIS 439 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3d45 s VAL 440 N -0.35 1.06 0.06 0.61 -7.23 -1.24 -0.44 120.40 112.86 3d45 s VAL 440 Ca 0.00 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 3d45 s VAL 440 Cb 0.00 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 3d45 s VAL 440 CO 0.00 0.12 -0.06 -1.48 -0.31 0.00 0.00 175.10 173.38 3d45 s LEU 441 N -0.77 2.38 -0.03 1.32 2.34 -0.47 -1.19 118.68 122.26 3d45 s LEU 441 Ca 0.03 -0.78 -0.01 0.00 0.06 0.00 0.00 54.13 53.43 3d45 s LEU 441 Cb -0.07 -0.01 -0.04 0.00 -0.56 0.00 0.00 46.19 45.52 3d45 s LEU 441 CO 0.00 -0.39 0.04 -2.28 -1.06 0.00 0.00 176.35 172.66 3d45 s HIS 442 N -2.65 3.20 0.00 3.48 5.65 -0.58 -0.19 115.29 124.20 3d45 s HIS 442 Ca -0.01 0.18 0.06 0.00 0.25 0.00 0.00 55.06 55.54 3d45 s HIS 442 Cb -0.01 -1.74 -0.02 0.00 -1.18 0.00 0.00 32.58 29.63 3d45 s HIS 442 CO -0.04 0.51 -0.18 0.14 -0.65 0.00 0.00 174.74 174.53 3d45 s VAL 443 N -1.07 1.40 -0.01 0.89 -7.23 -0.82 -1.66 120.40 111.90 3d45 s VAL 443 Ca 0.19 -0.84 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 3d45 s VAL 443 Cb -0.12 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 3d45 s VAL 443 CO 0.09 0.32 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.25 3d45 s THR 444 N -0.51 3.64 0.09 5.32 2.01 -0.64 -3.11 115.64 122.44 3d45 s THR 444 Ca 0.06 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.09 3d45 s THR 444 Cb -0.07 -2.56 0.07 0.00 0.01 0.00 0.00 72.50 69.95 3d45 s THR 444 CO -0.00 0.44 0.63 0.72 -0.69 0.00 0.00 174.62 175.72 3d45 s PHE 445 N -0.95 -0.57 0.39 4.92 -0.71 -0.41 0.95 117.98 121.59 3d45 s PHE 445 Ca 0.16 0.58 -0.24 0.00 -1.04 0.00 0.00 56.93 56.39 3d45 s PHE 445 Cb -0.11 0.51 -0.12 0.00 -1.21 0.00 0.00 43.02 42.09 3d45 s PHE 445 CO 0.06 -0.77 0.74 -2.30 -1.34 0.00 0.00 175.22 171.61 3d45 n PRO 446 N 0.02 0.85 0.30 1.99 -0.02 -1.26 -4.63 135.00 132.25 3d45 n PRO 446 Ca -0.18 0.31 0.19 0.00 -2.02 0.00 0.00 63.50 61.80 3d45 n PRO 446 Cb 0.62 -1.67 0.88 0.00 -0.02 0.00 0.00 33.50 33.31 3d45 n PRO 446 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3d45 h LYS 447 N 1.17 0.00 0.00 -0.52 2.10 -1.93 -3.11 116.57 114.28 3d45 h LYS 447 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3d45 h LYS 447 Cb 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 3d45 h LYS 447 CO 0.54 0.01 0.00 0.93 -2.00 0.00 0.00 179.45 178.94 3d45 h GLU 448 N 0.00 0.00 -7.27 0.07 3.07 -1.91 -3.46 114.58 105.08 3d45 h GLU 448 Ca -0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 3d45 h GLU 448 Cb 0.32 0.00 0.18 0.00 -0.84 0.00 0.00 28.75 28.41 3d45 h GLU 448 CO 0.00 0.00 0.13 -1.58 -1.40 0.00 0.00 179.01 176.16 3d45 s TRP 449 N -3.30 1.81 0.10 4.33 0.52 -1.18 -5.07 118.94 116.16 3d45 s TRP 449 Ca 0.06 1.10 -0.07 0.00 0.02 0.00 0.00 56.10 57.21 3d45 s TRP 449 Cb 0.09 -3.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.21 3d45 s TRP 449 CO 0.56 -3.24 0.17 0.15 0.02 0.00 0.00 176.95 174.60 3d45 s LYS 450 N -4.76 0.89 0.27 4.98 1.02 -1.26 -5.02 119.74 115.86 3d45 s LYS 450 Ca 0.66 -1.08 0.11 0.00 0.02 0.00 0.00 55.97 55.68 3d45 s LYS 450 Cb -0.21 0.32 0.89 0.00 -0.52 0.00 0.00 37.83 38.31 3d45 s LYS 450 CO 0.60 -0.28 1.23 2.41 -0.92 0.00 0.00 175.35 178.40 3d45 n THR 451 N -0.07 -0.33 0.10 2.17 -1.04 -1.26 -0.21 114.28 113.64 3d45 n THR 451 Ca -0.12 1.64 -0.03 0.00 -2.04 0.00 0.00 64.05 63.50 3d45 n THR 451 Cb 0.62 -2.56 -0.02 0.00 -1.82 0.00 0.00 70.33 66.56 3d45 n THR 451 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3d45 h SER 452 N 0.00 0.00 -0.97 8.00 4.64 -1.99 -1.97 113.55 121.26 3d45 h SER 452 Ca 0.60 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.95 3d45 h SER 452 Cb 1.47 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.51 3d45 h SER 452 CO -0.65 0.77 0.64 0.44 -0.87 0.00 0.00 176.83 177.15 3d45 h ASP 453 N 0.00 1.06 -0.17 4.97 5.19 -0.99 -1.07 116.42 125.41 3d45 h ASP 453 Ca -0.01 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.21 3d45 h ASP 453 Cb 1.53 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.80 3d45 h ASP 453 CO 0.10 0.73 -0.59 0.25 -3.12 0.00 0.00 179.24 176.61 3d45 h LEU 454 N 1.23 0.82 -0.97 1.55 5.85 -1.12 -0.46 115.31 122.21 3d45 h LEU 454 Ca 0.38 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3d45 h LEU 454 Cb -0.00 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3d45 h LEU 454 CO -0.12 1.28 0.42 1.88 -0.34 0.00 0.00 178.44 181.56 3d45 h TYR 455 N 0.41 1.13 0.26 1.25 -1.99 -1.31 -2.73 116.97 114.00 3d45 h TYR 455 Ca -0.02 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 3d45 h TYR 455 Cb 1.22 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 3d45 h TYR 455 CO 0.09 0.80 -0.24 0.37 -0.00 0.00 0.00 178.16 179.19 3d45 h GLN 456 N 1.14 -0.47 -1.52 4.88 4.15 -0.95 -2.62 115.11 119.72 3d45 h GLN 456 Ca 0.28 0.03 0.44 0.00 0.77 0.00 0.00 58.65 60.18 3d45 h GLN 456 Cb 0.07 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 3d45 h GLN 456 CO -0.04 -0.32 1.18 1.25 -1.93 0.00 0.00 178.83 178.98 3d45 h LEU 457 N -0.49 0.00 -3.25 -2.39 5.85 -0.90 -1.90 115.31 112.22 3d45 h LEU 457 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3d45 h LEU 457 Cb 0.42 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3d45 h LEU 457 CO -0.01 0.00 -0.06 0.49 -0.34 0.00 0.00 178.44 178.52 3d45 n PHE 458 N -3.87 0.83 -0.18 1.25 3.72 -1.01 -4.74 117.46 113.45 3d45 n PHE 458 Ca 0.34 -1.23 0.08 0.00 -0.05 0.00 0.00 57.45 56.59 3d45 n PHE 458 Cb 1.65 -0.36 0.38 0.00 -0.94 0.00 0.00 39.48 40.21 3d45 n PHE 458 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3d45 h SER 459 N 1.16 0.61 -0.88 4.37 0.02 -1.07 -2.51 113.55 115.27 3d45 h SER 459 Ca 0.09 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.24 3d45 h SER 459 Cb 1.45 -0.12 -0.11 0.00 0.14 0.00 0.00 62.40 63.76 3d45 h SER 459 CO 0.25 0.38 0.43 0.00 -1.14 0.00 0.00 176.83 176.75 3d45 h ALA 460 N 1.62 1.38 -0.66 3.77 0.00 -1.85 -2.13 119.26 121.40 3d45 h ALA 460 Ca 0.32 0.12 -0.20 0.00 0.00 0.00 0.00 54.91 55.15 3d45 h ALA 460 Cb 0.37 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 3d45 h ALA 460 CO -0.11 -0.20 0.26 1.19 0.00 0.00 0.00 179.25 180.38 3d45 n PHE 461 N -4.94 2.17 -4.42 0.00 3.01 -0.94 -5.04 117.46 107.30 3d45 n PHE 461 Ca 0.20 -1.09 0.00 0.00 1.01 0.00 0.00 57.45 57.56 3d45 n PHE 461 Cb 0.55 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 3d45 n PHE 461 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d45 n GLY 462 N -0.13 -0.73 3.71 1.37 0.00 -0.80 -4.60 105.19 104.01 3d45 n GLY 462 Ca 0.36 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 3d45 n GLY 462 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d45 n ASN 463 N -1.13 3.08 -4.34 1.61 0.23 -1.26 -4.71 115.26 108.73 3d45 n ASN 463 Ca 0.00 1.18 -0.18 0.00 -0.53 0.00 0.00 54.58 55.06 3d45 n ASN 463 Cb 0.00 -1.51 -0.10 0.00 -2.08 0.00 0.00 39.78 36.09 3d45 n ASN 463 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3d45 s ILE 464 N -0.64 0.84 -0.15 1.53 -0.00 -1.26 -4.68 121.20 116.85 3d45 s ILE 464 Ca 0.60 -2.01 0.01 0.00 -0.00 0.00 0.00 60.65 59.25 3d45 s ILE 464 Cb -0.57 -2.56 0.00 0.00 -0.00 0.00 0.00 42.46 39.34 3d45 s ILE 464 CO 0.57 -0.12 -0.17 -1.58 -0.00 0.00 0.00 174.94 173.63 3d45 s GLN 465 N -3.95 3.17 0.10 0.37 0.74 -1.09 -5.00 119.66 114.01 3d45 s GLN 465 Ca 0.34 -0.78 0.05 0.00 0.05 0.00 0.00 55.36 55.02 3d45 s GLN 465 Cb 0.07 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.59 3d45 s GLN 465 CO 0.12 0.04 0.03 0.42 -0.55 0.00 0.00 175.29 175.35 3d45 s ILE 466 N 0.74 4.15 -0.31 -2.34 1.01 -1.26 -1.01 121.20 122.18 3d45 s ILE 466 Ca -0.07 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 3d45 s ILE 466 Cb -0.16 -3.01 0.11 0.00 0.01 0.00 0.00 42.46 39.41 3d45 s ILE 466 CO 0.01 0.07 0.13 -0.55 0.00 0.00 0.00 174.94 174.60 3d45 s SER 467 N -2.47 3.66 0.16 3.58 0.15 -1.01 -5.01 113.70 112.75 3d45 s SER 467 Ca 0.27 -1.56 -0.34 0.00 0.70 0.00 0.00 55.95 55.03 3d45 s SER 467 Cb -0.11 -0.56 -0.14 0.00 -1.71 0.00 0.00 66.02 63.49 3d45 s SER 467 CO 0.20 -0.41 1.57 0.79 1.20 0.00 0.00 173.24 176.58 3d45 n TRP 468 N 4.92 2.25 -0.10 3.44 7.02 -1.26 -1.59 117.44 132.12 3d45 n TRP 468 Ca -0.02 0.29 -0.12 0.00 -1.02 0.00 0.00 57.50 56.62 3d45 n TRP 468 Cb 0.41 -2.53 -0.15 0.00 -2.42 0.00 0.00 31.31 26.62 3d45 n TRP 468 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3d45 n ILE 469 N 3.36 1.45 -3.63 -0.99 -5.35 -0.93 -4.87 119.36 108.39 3d45 n ILE 469 Ca 0.17 -0.77 0.02 0.00 -0.27 0.00 0.00 62.75 61.90 3d45 n ILE 469 Cb 0.28 -0.80 -0.00 0.00 -1.74 0.00 0.00 39.64 37.38 3d45 n ILE 469 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3d45 s ASP 470 N -5.86 -0.05 0.21 7.28 -1.08 -0.89 -4.54 116.67 111.74 3d45 s ASP 470 Ca -0.17 -0.13 0.14 0.00 -0.52 0.00 0.00 52.55 51.88 3d45 s ASP 470 Cb 0.07 0.15 0.74 0.00 -1.46 0.00 0.00 42.92 42.42 3d45 s ASP 470 CO 0.77 -0.28 0.80 -0.67 0.52 0.00 0.00 175.17 176.31 3d45 n ASP 471 N -0.53 0.14 -0.26 -0.34 4.64 -1.26 -1.77 116.55 117.17 3d45 n ASP 471 Ca -0.08 0.76 0.02 0.00 -1.38 0.00 0.00 54.79 54.11 3d45 n ASP 471 Cb 0.63 -0.37 0.02 0.00 -1.04 0.00 0.00 41.12 40.35 3d45 n ASP 471 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3d45 n THR 472 N -3.87 0.37 -3.75 5.18 -2.24 -1.26 -4.62 114.28 104.09 3d45 n THR 472 Ca 0.20 -0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 3d45 n THR 472 Cb 0.75 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 3d45 n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d45 s SER 473 N -1.03 -0.11 -0.02 3.42 1.04 -0.73 -1.29 113.70 114.98 3d45 s SER 473 Ca 0.05 -0.51 -0.29 0.00 0.48 0.00 0.00 55.95 55.69 3d45 s SER 473 Cb 0.04 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.71 3d45 s SER 473 CO 0.00 -0.86 0.85 0.00 0.98 0.00 0.00 173.24 174.21 3d45 s ALA 474 N -3.85 -1.81 0.22 5.32 0.00 -1.18 -2.09 121.76 118.36 3d45 s ALA 474 Ca 0.07 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 3d45 s ALA 474 Cb 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 3d45 s ALA 474 CO -0.09 -0.57 0.62 -0.06 0.00 0.00 0.00 175.76 175.67 3d45 s PHE 475 N -2.49 3.52 -0.08 0.00 0.08 -0.62 -1.94 117.98 116.46 3d45 s PHE 475 Ca 0.01 1.12 0.02 0.00 0.12 0.00 0.00 56.93 58.20 3d45 s PHE 475 Cb -0.01 -2.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 3d45 s PHE 475 CO -0.05 0.30 -0.14 0.08 -0.10 0.00 0.00 175.22 175.32 3d45 s VAL 476 N -1.67 1.27 -0.29 -0.44 1.01 0.73 -2.41 120.40 118.60 3d45 s VAL 476 Ca 0.45 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 3d45 s VAL 476 Cb -0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3d45 s VAL 476 CO 0.20 0.39 0.16 -0.55 0.00 0.00 0.00 175.10 175.30 3d45 s SER 477 N 0.75 5.73 0.17 3.32 0.15 -0.18 -1.36 113.70 122.28 3d45 s SER 477 Ca -0.13 -0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.35 3d45 s SER 477 Cb -0.16 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 3d45 s SER 477 CO 0.03 -0.10 0.25 -0.76 1.20 0.00 0.00 173.24 173.85 3d45 s LEU 478 N 1.69 4.15 0.03 3.45 1.43 0.41 -2.65 118.68 127.19 3d45 s LEU 478 Ca 0.06 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 3d45 s LEU 478 Cb -0.16 -2.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.26 3d45 s LEU 478 CO 0.08 0.03 1.21 -1.28 0.23 0.00 0.00 176.35 176.63 3d45 h SER 479 N 2.03 -0.48 -3.25 2.29 0.87 -1.83 -3.43 113.55 109.75 3d45 h SER 479 Ca -0.49 0.03 -0.59 0.00 -1.23 0.00 0.00 61.79 59.51 3d45 h SER 479 Cb 1.20 0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 63.23 3d45 h SER 479 CO 0.65 -0.29 -0.18 -1.10 -0.53 0.00 0.00 176.83 175.38 3d45 s GLN 480 N -4.11 4.23 0.20 2.24 -1.52 -1.26 -4.95 119.66 114.49 3d45 s GLN 480 Ca -0.07 0.39 -0.08 0.00 -1.95 0.00 0.00 55.36 53.65 3d45 s GLN 480 Cb 0.01 -3.38 0.30 0.00 -0.22 0.00 0.00 33.01 29.72 3d45 s GLN 480 CO 0.23 0.31 1.19 -2.30 -0.25 0.00 0.00 175.29 174.46 3d45 n PRO 481 N 3.17 -0.10 -0.24 2.91 -0.02 -1.26 -1.66 135.00 137.80 3d45 n PRO 481 Ca -0.09 1.18 0.01 0.00 -2.02 0.00 0.00 63.50 62.58 3d45 n PRO 481 Cb 0.52 -1.77 0.13 0.00 -0.02 0.00 0.00 33.50 32.37 3d45 n PRO 481 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3d45 h GLU 482 N 0.00 0.54 -1.13 -0.52 9.09 -1.94 -3.02 114.58 117.59 3d45 h GLU 482 Ca 0.34 -0.03 0.36 0.00 0.05 0.00 0.00 59.36 60.07 3d45 h GLU 482 Cb 0.53 -0.12 -0.13 0.00 -1.65 0.00 0.00 28.75 27.37 3d45 h GLU 482 CO -0.78 0.36 0.70 1.96 0.05 0.00 0.00 179.01 181.30 3d45 h GLN 483 N 0.56 0.23 -0.63 1.06 4.20 -1.73 0.38 115.11 119.17 3d45 h GLN 483 Ca 0.34 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.15 3d45 h GLN 483 Cb 0.38 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.03 3d45 h GLN 483 CO -0.28 0.15 0.22 0.28 -0.67 0.00 0.00 178.83 178.54 3d45 h VAL 484 N 0.24 0.73 -0.06 -0.54 2.07 -1.67 0.25 116.25 117.26 3d45 h VAL 484 Ca 0.74 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 68.12 3d45 h VAL 484 Cb 2.00 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3d45 h VAL 484 CO -0.47 0.07 0.04 -0.61 0.02 0.00 0.00 177.57 176.62 3d45 h GLN 485 N 0.39 0.09 -0.06 1.57 5.75 -0.43 -0.83 115.11 121.59 3d45 h GLN 485 Ca 0.33 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.73 3d45 h GLN 485 Cb 0.43 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3d45 h GLN 485 CO -0.34 0.11 -0.37 0.97 -2.65 0.00 0.00 178.83 176.55 3d45 h ILE 486 N 0.04 1.28 -0.46 2.39 6.09 -1.37 0.64 117.51 126.12 3d45 h ILE 486 Ca 0.02 -1.34 -0.06 0.00 -1.37 0.00 0.00 64.86 62.11 3d45 h ILE 486 Cb 0.04 1.64 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 3d45 h ILE 486 CO -0.00 0.39 0.03 0.00 -3.07 0.00 0.00 178.15 175.49 3d45 h ALA 487 N 1.52 1.19 -0.18 0.18 0.00 -0.35 -1.24 119.26 120.38 3d45 h ALA 487 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3d45 h ALA 487 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3d45 h ALA 487 CO 0.05 0.54 0.05 0.28 0.00 0.00 0.00 179.25 180.17 3d45 h VAL 488 N 0.70 1.20 -0.15 0.00 2.07 0.57 -3.15 116.25 117.49 3d45 h VAL 488 Ca 0.14 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3d45 h VAL 488 Cb 0.39 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3d45 h VAL 488 CO 0.01 0.19 0.07 0.78 0.02 0.00 0.00 177.57 178.65 3d45 h ASN 489 N 0.11 0.19 -0.79 0.57 2.35 -1.17 -3.24 115.58 113.60 3d45 h ASN 489 Ca 0.06 -0.11 -0.38 0.00 -0.55 0.00 0.00 56.30 55.32 3d45 h ASN 489 Cb 0.26 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 3d45 h ASN 489 CO -0.00 0.25 0.98 -0.89 -1.65 0.00 0.00 177.43 176.12 3d45 s THR 490 N -5.75 3.58 0.00 2.81 2.01 -0.47 -2.01 115.64 115.80 3d45 s THR 490 Ca -0.13 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.32 3d45 s THR 490 Cb 0.07 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.26 3d45 s THR 490 CO 0.69 -1.20 0.00 -1.54 -0.69 0.00 0.00 174.62 171.88 3d45 n SER 491 N 12.71 0.00 0.23 3.53 3.41 -1.24 -4.77 113.62 127.49 3d45 n SER 491 Ca 0.39 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 59.06 3d45 n SER 491 Cb 0.48 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.94 3d45 n SER 491 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3d45 h LYS 492 N 0.00 0.00 -0.30 4.33 1.57 -1.43 -3.21 116.57 117.53 3d45 h LYS 492 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d45 h LYS 492 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3d45 h LYS 492 CO 0.00 0.18 0.00 0.66 -0.57 0.00 0.00 179.45 179.72 3d45 n TYR 493 N -4.30 0.39 -4.40 -1.35 4.02 -1.26 -4.90 117.16 105.36 3d45 n TYR 493 Ca -0.02 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.90 57.48 3d45 n TYR 493 Cb 0.24 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.41 3d45 n TYR 493 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d45 s ALA 494 N -1.61 0.83 -0.19 -0.72 0.00 -1.21 -5.06 121.76 113.78 3d45 s ALA 494 Ca 0.32 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 3d45 s ALA 494 Cb 0.17 -0.26 -0.20 0.00 0.00 0.00 0.00 23.12 22.83 3d45 s ALA 494 CO 0.25 0.17 0.21 -1.91 0.00 0.00 0.00 175.76 174.48 3d45 n GLU 495 N 3.06 0.61 -0.01 0.00 4.07 -1.26 -4.58 120.64 122.53 3d45 n GLU 495 Ca -0.16 0.49 -0.00 0.00 -0.06 0.00 0.00 57.16 57.43 3d45 n GLU 495 Cb 0.55 -1.73 -0.00 0.00 -0.06 0.00 0.00 31.44 30.21 3d45 n GLU 495 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3d45 n SER 496 N -4.21 -0.03 -4.06 4.31 2.88 -1.26 -4.68 113.62 106.56 3d45 n SER 496 Ca -0.33 0.74 -0.16 0.00 -1.33 0.00 0.00 58.87 57.79 3d45 n SER 496 Cb 0.77 -0.35 0.07 0.00 -0.75 0.00 0.00 64.21 63.95 3d45 n SER 496 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d45 n TYR 497 N -2.80 -2.71 -3.75 0.66 0.18 -1.26 -3.99 117.16 103.48 3d45 n TYR 497 Ca 0.00 -1.46 -0.10 0.00 1.88 0.00 0.00 57.90 58.22 3d45 n TYR 497 Cb 0.01 -0.46 -0.06 0.00 -0.38 0.00 0.00 39.34 38.45 3d45 n TYR 497 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3d45 s ARG 498 N -4.14 1.04 -0.08 -3.48 3.52 0.27 -4.91 118.95 111.17 3d45 s ARG 498 Ca 0.47 -0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 55.15 3d45 s ARG 498 Cb -0.03 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 3d45 s ARG 498 CO 0.30 -0.39 0.19 0.42 -0.81 0.00 0.00 175.30 175.02 3d45 s ILE 499 N -3.85 -0.01 0.18 4.11 1.01 -1.26 -1.63 121.20 119.75 3d45 s ILE 499 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.81 3d45 s ILE 499 Cb 0.03 -0.28 -0.05 0.00 0.01 0.00 0.00 42.46 42.17 3d45 s ILE 499 CO -0.09 0.02 -0.08 -1.10 0.00 0.00 0.00 174.94 173.69 3d45 s GLN 500 N 0.45 1.19 0.76 2.79 -0.21 -0.66 -5.02 119.66 118.96 3d45 s GLN 500 Ca -0.03 -1.55 -0.11 0.00 0.02 0.00 0.00 55.36 53.70 3d45 s GLN 500 Cb -0.04 -0.71 0.05 0.00 1.00 0.00 0.00 33.01 33.31 3d45 s GLN 500 CO -0.02 0.04 1.08 0.95 -2.12 0.00 0.00 175.29 175.22 3d45 s THR 501 N -3.30 3.47 0.24 -0.19 -4.23 -1.26 -1.53 115.64 108.85 3d45 s THR 501 Ca 0.21 0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 61.16 3d45 s THR 501 Cb 0.03 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 71.03 3d45 s THR 501 CO 0.04 -0.62 1.73 0.22 -0.54 0.00 0.00 174.62 175.45 3d45 h TYR 502 N -1.04 0.52 -1.29 3.99 3.20 -1.44 -3.38 116.97 117.54 3d45 h TYR 502 Ca -0.44 0.04 -0.56 0.00 3.14 0.00 0.00 58.73 60.90 3d45 h TYR 502 Cb 1.23 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 3d45 h TYR 502 CO 0.57 0.08 1.56 0.00 -1.64 0.00 0.00 178.16 178.72 3d45 n ALA 503 N -2.50 1.01 0.00 1.82 0.00 -1.26 -4.78 120.51 114.79 3d45 n ALA 503 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3d45 n ALA 503 Cb 0.40 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.04 3d45 n ALA 503 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3d45 n GLU 504 N 8.63 -2.91 0.00 0.00 -0.00 -1.26 -5.07 120.64 120.03 3d45 n GLU 504 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.57 3d45 n GLU 504 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.79 3d45 n GLU 504 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79