#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l1q s MET 3 N 0.00 3.40 0.50 -2.82 1.00 -1.26 -5.07 119.30 115.05 1l1q s MET 3 Ca 0.00 1.40 0.06 0.00 0.00 0.00 0.00 55.69 57.15 1l1q s MET 3 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 34.83 32.81 1l1q s MET 3 CO 0.00 -0.77 0.36 -1.54 0.00 0.00 0.00 175.02 173.07 1l1q s SER 4 N -2.20 4.66 0.28 3.03 1.04 -1.26 -4.70 113.70 114.55 1l1q s SER 4 Ca 0.68 -1.15 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 1l1q s SER 4 Cb -0.19 0.12 0.38 0.00 0.10 0.00 0.00 66.02 66.43 1l1q s SER 4 CO 0.29 -0.94 1.89 0.58 0.98 0.00 0.00 173.24 176.04 1l1q h VAL 5 N 0.90 1.22 -0.65 5.02 2.07 -1.94 -1.65 116.25 121.24 1l1q h VAL 5 Ca -0.39 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1l1q h VAL 5 Cb 1.29 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1l1q h VAL 5 CO 0.59 0.26 0.30 0.00 0.02 0.00 0.00 177.57 178.75 1l1q h ALA 6 N 1.39 1.31 -0.57 1.67 0.00 -1.97 0.96 119.26 122.05 1l1q h ALA 6 Ca 0.26 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1l1q h ALA 6 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1l1q h ALA 6 CO -0.04 0.53 0.04 -0.44 0.00 0.00 0.00 179.25 179.34 1l1q h ASP 7 N 0.92 0.96 -0.50 0.00 3.32 -1.73 -1.38 116.42 118.00 1l1q h ASP 7 Ca 0.23 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1l1q h ASP 7 Cb 0.11 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1l1q h ASP 7 CO -0.03 1.01 0.32 0.00 -1.72 0.00 0.00 179.24 178.82 1l1q h ALA 8 N 0.98 0.64 -0.79 3.45 0.00 -0.44 -2.18 119.26 120.91 1l1q h ALA 8 Ca 0.17 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1l1q h ALA 8 Cb 0.50 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1l1q h ALA 8 CO 0.02 0.05 0.44 1.25 0.00 0.00 0.00 179.25 181.01 1l1q h HIS 9 N 0.64 0.80 0.00 0.00 -0.00 -0.38 -0.53 115.15 115.68 1l1q h HIS 9 Ca 0.19 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 1l1q h HIS 9 Cb -0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.13 1l1q h HIS 9 CO -0.05 0.32 0.00 0.00 -0.00 0.00 0.00 177.93 178.20 1l1q n ALA 10 N -2.38 1.31 0.96 5.26 0.00 -0.56 -1.73 120.51 123.37 1l1q n ALA 10 Ca 0.13 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1l1q n ALA 10 Cb 0.27 -1.33 0.39 0.00 0.00 0.00 0.00 19.45 18.79 1l1q n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1l1q n LEU 11 N -2.20 0.33 -4.75 0.00 4.77 -0.21 -4.89 117.00 110.05 1l1q n LEU 11 Ca 0.00 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.80 1l1q n LEU 11 Cb 0.12 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1l1q n LEU 11 CO 0.13 0.06 0.82 -0.63 -1.33 0.00 0.00 177.39 176.44 1l1q s ILE 12 N -3.01 3.53 -0.03 -0.08 1.01 -0.70 -4.53 121.20 117.39 1l1q s ILE 12 Ca 0.12 1.45 0.05 0.00 0.00 0.00 0.00 60.65 62.27 1l1q s ILE 12 Cb 0.18 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 1l1q s ILE 12 CO 0.63 0.31 -0.17 -0.54 0.00 0.00 0.00 174.94 175.17 1l1q s LYS 13 N -1.03 2.35 -0.28 2.79 3.01 -0.99 -4.98 119.74 120.61 1l1q s LYS 13 Ca 0.47 -0.79 -0.08 0.00 -1.01 0.00 0.00 55.97 54.56 1l1q s LYS 13 Cb -0.32 -2.28 -0.01 0.00 -1.01 0.00 0.00 37.83 34.21 1l1q s LYS 13 CO 0.40 0.60 0.09 0.99 0.51 0.00 0.00 175.35 177.93 1l1q s THR 14 N -0.75 4.25 -0.29 2.17 2.01 -1.26 -0.26 115.64 121.50 1l1q s THR 14 Ca 0.12 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 1l1q s THR 14 Cb -0.10 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 1l1q s THR 14 CO 0.01 0.19 0.15 -0.63 -0.69 0.00 0.00 174.62 173.65 1l1q s ILE 15 N 1.57 4.81 0.48 1.82 -1.09 0.57 -4.94 121.20 124.42 1l1q s ILE 15 Ca 0.05 -0.18 -0.21 0.00 -2.23 0.00 0.00 60.65 58.07 1l1q s ILE 15 Cb -0.16 -3.37 -0.08 0.00 -1.58 0.00 0.00 42.46 37.27 1l1q s ILE 15 CO 0.04 0.17 1.09 -2.16 -1.23 0.00 0.00 174.94 172.84 1l1q s PRO 16 N 1.67 3.74 -1.31 2.79 0.04 -1.26 -1.08 135.00 139.59 1l1q s PRO 16 Ca 0.06 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 1l1q s PRO 16 Cb -0.16 -2.21 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 1l1q s PRO 16 CO 0.07 -0.51 0.56 -0.25 0.04 0.00 0.00 177.00 176.91 1l1q n ASP 17 N -0.80 -2.01 -3.78 6.66 8.00 -0.79 -4.91 116.55 118.92 1l1q n ASP 17 Ca 0.09 -1.01 -0.13 0.00 0.71 0.00 0.00 54.79 54.44 1l1q n ASP 17 Cb 0.51 -3.15 -0.14 0.00 -0.02 0.00 0.00 41.12 38.32 1l1q n ASP 17 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1l1q s PHE 18 N -3.78 -0.15 0.22 1.24 5.36 -0.75 -4.08 117.98 116.04 1l1q s PHE 18 Ca 0.16 0.42 0.12 0.00 -0.96 0.00 0.00 56.93 56.67 1l1q s PHE 18 Cb -0.06 -0.04 0.36 0.00 -0.34 0.00 0.00 43.02 42.94 1l1q s PHE 18 CO 0.88 -0.13 1.60 -1.00 -1.46 0.00 0.00 175.22 175.11 1l1q h PRO 19 N 6.80 0.00 -6.50 10.12 0.13 -1.94 -3.34 132.00 137.28 1l1q h PRO 19 Ca -0.37 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.11 1l1q h PRO 19 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 1l1q h PRO 19 CO 0.43 0.60 -0.72 0.95 -0.23 0.00 0.00 178.00 179.03 1l1q s THR 20 N -3.50 3.44 0.35 1.56 -4.23 -1.26 -5.09 115.64 106.90 1l1q s THR 20 Ca -0.01 -1.32 -0.28 0.00 -1.18 0.00 0.00 61.69 58.90 1l1q s THR 20 Cb 0.12 -2.64 -0.12 0.00 1.34 0.00 0.00 72.50 71.20 1l1q s THR 20 CO 0.75 0.05 1.38 2.29 -0.54 0.00 0.00 174.62 178.55 1l1q n LYS 21 N 0.49 2.35 -0.03 3.99 2.85 -1.26 -2.52 118.16 124.03 1l1q n LYS 21 Ca -0.12 0.82 0.00 0.00 -1.05 0.00 0.00 58.31 57.96 1l1q n LYS 21 Cb 0.53 -2.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.44 1l1q n LYS 21 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1l1q n GLY 22 N 0.78 0.33 3.43 2.58 0.00 -1.26 -4.95 105.19 106.10 1l1q n GLY 22 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1l1q n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1l1q s ILE 23 N -2.09 4.06 -0.67 -0.61 1.09 -1.05 -4.92 121.20 117.00 1l1q s ILE 23 Ca 0.00 -0.26 -0.21 0.00 -1.10 0.00 0.00 60.65 59.07 1l1q s ILE 23 Cb 0.00 -2.87 0.08 0.00 -1.06 0.00 0.00 42.46 38.61 1l1q s ILE 23 CO 0.00 0.38 0.93 0.00 -0.10 0.00 0.00 174.94 176.15 1l1q s ALA 24 N 1.40 3.20 -0.01 9.38 0.00 -1.26 -1.81 121.76 132.65 1l1q s ALA 24 Ca 0.05 -2.01 -0.29 0.00 0.00 0.00 0.00 51.96 49.71 1l1q s ALA 24 Cb -0.15 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 1l1q s ALA 24 CO 0.02 -2.71 0.95 0.12 0.00 0.00 0.00 175.76 174.13 1l1q s PHE 25 N 3.66 3.64 -0.47 0.00 5.36 -0.24 -4.87 117.98 125.05 1l1q s PHE 25 Ca 0.21 1.64 -0.18 0.00 -0.96 0.00 0.00 56.93 57.63 1l1q s PHE 25 Cb -0.17 -3.08 0.05 0.00 -0.34 0.00 0.00 43.02 39.47 1l1q s PHE 25 CO 0.07 -0.01 0.54 0.15 -1.46 0.00 0.00 175.22 174.52 1l1q s LYS 26 N 1.04 3.11 -0.52 10.12 -0.14 -1.26 -0.32 119.74 131.78 1l1q s LYS 26 Ca 0.50 -0.85 -0.23 0.00 -1.36 0.00 0.00 55.97 54.02 1l1q s LYS 26 Cb -0.20 -4.05 0.04 0.00 -1.68 0.00 0.00 37.83 31.94 1l1q s LYS 26 CO 0.26 -1.07 0.85 0.34 -0.76 0.00 0.00 175.35 174.98 1l1q s ASP 27 N 2.35 6.35 0.00 2.83 2.15 0.65 -4.89 116.67 126.10 1l1q s ASP 27 Ca 0.14 -0.36 0.23 0.00 0.43 0.00 0.00 52.55 52.98 1l1q s ASP 27 Cb -0.19 -2.40 0.66 0.00 -0.30 0.00 0.00 42.92 40.69 1l1q s ASP 27 CO 0.12 -1.09 1.51 0.18 -0.17 0.00 0.00 175.17 175.72 1l1q n LEU 28 N 7.06 2.21 -0.32 -1.34 4.77 -1.26 -2.34 117.00 125.78 1l1q n LEU 28 Ca 0.01 -0.89 0.14 0.00 -0.03 0.00 0.00 56.01 55.24 1l1q n LEU 28 Cb 0.47 -0.12 0.33 0.00 -2.33 0.00 0.00 43.42 41.77 1l1q n LEU 28 CO 0.61 0.45 1.11 -1.28 -1.33 0.00 0.00 177.39 176.95 1l1q h SER 29 N 3.03 0.53 1.09 -1.43 0.87 -1.91 -1.78 113.55 113.96 1l1q h SER 29 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1l1q h SER 29 Cb 0.66 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1l1q h SER 29 CO 0.00 0.09 0.00 0.44 -0.53 0.00 0.00 176.83 176.83 1l1q h ASP 30 N 0.53 0.00 -0.08 6.23 3.32 -1.80 -1.94 116.42 122.67 1l1q h ASP 30 Ca 0.58 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.44 1l1q h ASP 30 Cb 1.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.61 1l1q h ASP 30 CO -0.47 0.00 -0.68 0.40 -1.72 0.00 0.00 179.24 176.77 1l1q h ILE 31 N 0.00 1.34 -0.08 0.35 2.04 -1.59 -2.90 117.51 116.67 1l1q h ILE 31 Ca 0.00 -1.97 -0.09 0.00 1.00 0.00 0.00 64.86 63.79 1l1q h ILE 31 Cb 0.54 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1l1q h ILE 31 CO 0.00 0.60 -0.38 -0.07 0.00 0.00 0.00 178.15 178.30 1l1q h LEU 32 N 0.25 0.17 -0.81 1.44 3.38 -1.41 -2.96 115.31 115.37 1l1q h LEU 32 Ca -0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1l1q h LEU 32 Cb 1.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1l1q h LEU 32 CO 0.14 0.54 -0.11 -1.54 0.09 0.00 0.00 178.44 177.56 1l1q n SER 33 N -4.06 1.36 -4.11 -0.43 3.41 -0.77 -4.65 113.62 104.38 1l1q n SER 33 Ca -0.01 -1.27 -0.35 0.00 -0.26 0.00 0.00 58.87 56.97 1l1q n SER 33 Cb 0.44 0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1l1q n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1l1q s THR 34 N -2.21 3.15 0.30 6.66 2.01 -1.09 -5.01 115.64 119.45 1l1q s THR 34 Ca 0.32 -2.09 0.04 0.00 0.31 0.00 0.00 61.69 60.28 1l1q s THR 34 Cb 0.20 -3.18 0.31 0.00 0.01 0.00 0.00 72.50 69.85 1l1q s THR 34 CO 0.41 -0.67 1.65 1.55 -0.69 0.00 0.00 174.62 176.87 1l1q h PRO 35 N 7.99 0.24 -0.34 4.92 0.13 -1.82 -0.50 132.00 142.62 1l1q h PRO 35 Ca -0.12 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 1l1q h PRO 35 Cb 1.04 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1l1q h PRO 35 CO 0.67 0.16 -0.10 0.00 -0.23 0.00 0.00 178.00 178.51 1l1q h ALA 36 N 1.79 1.19 -0.18 -0.56 0.00 -1.95 0.11 119.26 119.67 1l1q h ALA 36 Ca 0.59 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 1l1q h ALA 36 Cb 1.21 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1l1q h ALA 36 CO -0.63 0.52 -0.65 0.00 0.00 0.00 0.00 179.25 178.48 1l1q h ALA 37 N 1.36 0.32 -0.66 0.00 0.00 -1.40 -1.96 119.26 116.91 1l1q h ALA 37 Ca 0.10 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 1l1q h ALA 37 Cb 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1l1q h ALA 37 CO 0.03 0.60 0.11 1.25 0.00 0.00 0.00 179.25 181.24 1l1q h LEU 38 N 0.47 1.04 -0.40 0.00 5.85 -0.99 -2.31 115.31 118.96 1l1q h LEU 38 Ca -0.03 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1l1q h LEU 38 Cb 1.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1l1q h LEU 38 CO 0.14 1.02 0.15 0.44 -0.34 0.00 0.00 178.44 179.85 1l1q h ASP 39 N 1.02 0.56 -0.52 1.25 3.32 -0.73 -0.61 116.42 120.72 1l1q h ASP 39 Ca 0.20 -0.18 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1l1q h ASP 39 Cb 0.42 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1l1q h ASP 39 CO 0.01 0.59 0.19 0.00 -1.72 0.00 0.00 179.24 178.31 1l1q h ALA 40 N 1.00 0.64 -0.21 3.45 0.00 -1.13 0.61 119.26 123.62 1l1q h ALA 40 Ca 0.13 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1l1q h ALA 40 Cb 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1l1q h ALA 40 CO -0.01 -0.20 -0.61 0.28 0.00 0.00 0.00 179.25 178.71 1l1q h VAL 41 N 0.38 1.30 -0.44 0.00 2.07 -1.29 -2.57 116.25 115.70 1l1q h VAL 41 Ca 0.25 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1l1q h VAL 41 Cb 0.26 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1l1q h VAL 41 CO -0.24 0.58 0.18 -0.09 0.02 0.00 0.00 177.57 178.02 1l1q h ARG 42 N 0.53 0.65 -0.66 1.57 2.43 -0.70 -2.53 114.38 115.67 1l1q h ARG 42 Ca -0.00 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1l1q h ARG 42 Cb 1.20 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1l1q h ARG 42 CO 0.12 0.59 0.30 0.87 -1.51 0.00 0.00 179.97 180.35 1l1q h LYS 43 N 0.57 0.95 -0.38 0.20 1.57 -0.84 -1.08 116.57 117.56 1l1q h LYS 43 Ca 0.15 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1l1q h LYS 43 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1l1q h LYS 43 CO -0.01 0.75 0.22 1.49 -0.57 0.00 0.00 179.45 181.32 1l1q h GLU 44 N 0.94 0.52 -0.01 3.15 4.57 -1.22 -0.56 114.58 121.97 1l1q h GLU 44 Ca 0.23 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1l1q h GLU 44 Cb 0.13 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1l1q h GLU 44 CO -0.03 0.41 0.00 0.28 -1.18 0.00 0.00 179.01 178.50 1l1q h VAL 45 N 0.49 1.24 -0.79 0.32 2.07 -1.08 -2.46 116.25 116.04 1l1q h VAL 45 Ca 0.13 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1l1q h VAL 45 Cb 0.04 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1l1q h VAL 45 CO -0.02 0.19 0.36 0.71 0.02 0.00 0.00 177.57 178.83 1l1q h THR 46 N -0.29 1.25 -0.73 2.57 1.35 -1.12 -2.12 112.91 113.82 1l1q h THR 46 Ca 0.00 -0.72 -0.05 0.00 -0.55 0.00 0.00 66.41 65.09 1l1q h THR 46 Cb 0.31 0.26 -0.03 0.00 -1.73 0.00 0.00 68.15 66.95 1l1q h THR 46 CO 0.00 0.30 0.26 0.00 -0.25 0.00 0.00 175.52 175.84 1l1q h ALA 47 N 1.27 0.95 -0.36 6.62 0.00 -1.12 -2.22 119.26 124.40 1l1q h ALA 47 Ca 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1l1q h ALA 47 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1l1q h ALA 47 CO -0.03 0.60 0.24 1.25 0.00 0.00 0.00 179.25 181.31 1l1q h HIS 48 N 1.06 0.43 -0.43 0.00 6.17 -0.89 -2.79 115.15 118.71 1l1q h HIS 48 Ca 0.24 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.33 1l1q h HIS 48 Cb 0.25 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.04 1l1q h HIS 48 CO 0.02 0.27 0.00 0.66 0.71 0.00 0.00 177.93 179.59 1l1q n TYR 49 N -4.48 0.86 -0.30 5.26 4.02 -1.01 -4.66 117.16 116.85 1l1q n TYR 49 Ca 0.03 -0.62 0.18 0.00 -0.01 0.00 0.00 57.90 57.47 1l1q n TYR 49 Cb 0.08 -0.15 0.45 0.00 -0.02 0.00 0.00 39.34 39.70 1l1q n TYR 49 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1l1q h LYS 50 N 2.62 0.51 -0.55 -0.72 3.64 -1.11 -0.91 116.57 120.05 1l1q h LYS 50 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1l1q h LYS 50 Cb 1.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1l1q h LYS 50 CO 0.11 0.34 0.00 -0.25 -2.27 0.00 0.00 179.45 177.38 1l1q n ASP 51 N -4.61 3.53 -4.65 4.20 9.92 -1.26 -4.92 116.55 118.76 1l1q n ASP 51 Ca 0.22 -1.98 -0.37 0.00 -0.53 0.00 0.00 54.79 52.13 1l1q n ASP 51 Cb 0.70 -0.37 -0.09 0.00 -0.64 0.00 0.00 41.12 40.72 1l1q n ASP 51 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1l1q s VAL 52 N -1.07 5.34 -0.15 2.53 1.01 -0.35 -4.99 120.40 122.72 1l1q s VAL 52 Ca 0.39 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1l1q s VAL 52 Cb 0.21 -3.53 -0.14 0.00 0.00 0.00 0.00 36.38 32.91 1l1q s VAL 52 CO 0.28 0.32 2.34 -0.81 0.00 0.00 0.00 175.10 177.22 1l1q n PRO 53 N 4.39 1.35 -1.71 2.72 -0.04 -1.26 -4.93 135.00 135.52 1l1q n PRO 53 Ca -0.14 -0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 62.16 1l1q n PRO 53 Cb 0.52 -1.90 -0.01 0.00 -0.04 0.00 0.00 33.50 32.07 1l1q n PRO 53 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1l1q n ILE 54 N 2.93 1.90 0.03 0.52 2.08 -1.26 -4.61 119.36 120.94 1l1q n ILE 54 Ca 0.29 -0.47 0.03 0.00 0.56 0.00 0.00 62.75 63.15 1l1q n ILE 54 Cb 0.48 -1.66 -0.04 0.00 -0.75 0.00 0.00 39.64 37.68 1l1q n ILE 54 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1l1q n THR 55 N 0.52 0.00 -3.66 1.39 -2.24 1.00 -4.92 114.28 106.37 1l1q n THR 55 Ca 0.05 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1l1q n THR 55 Cb 0.36 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 1l1q n THR 55 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1l1q s LYS 56 N -2.23 0.76 -0.18 -0.78 -0.14 -1.14 -3.85 119.74 112.19 1l1q s LYS 56 Ca -0.01 0.46 -0.05 0.00 -1.36 0.00 0.00 55.97 55.01 1l1q s LYS 56 Cb 0.03 0.36 -0.03 0.00 -1.68 0.00 0.00 37.83 36.51 1l1q s LYS 56 CO 0.21 -0.16 0.01 0.08 -0.76 0.00 0.00 175.35 174.73 1l1q s VAL 57 N -0.39 4.25 -0.36 3.17 1.01 -0.71 -1.11 120.40 126.26 1l1q s VAL 57 Ca -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1l1q s VAL 57 Cb -0.03 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.52 1l1q s VAL 57 CO 0.04 0.46 0.12 -0.69 0.00 0.00 0.00 175.10 175.04 1l1q s VAL 58 N 0.51 3.42 -0.13 2.92 1.01 0.09 -0.91 120.40 127.31 1l1q s VAL 58 Ca -0.00 -1.56 -0.28 0.00 0.00 0.00 0.00 61.98 60.13 1l1q s VAL 58 Cb -0.14 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 1l1q s VAL 58 CO 0.02 -0.37 0.96 -0.83 0.00 0.00 0.00 175.10 174.88 1l1q s GLY 59 N 1.59 2.26 -0.78 4.51 0.00 -0.78 -1.15 107.32 112.98 1l1q s GLY 59 Ca 0.01 0.28 -0.26 0.00 0.00 0.00 0.00 44.72 44.76 1l1q s GLY 59 CO -0.01 1.86 1.26 -0.42 0.00 0.00 0.00 173.10 175.79 1l1q s ILE 60 N 2.08 3.86 0.36 0.90 -1.09 -0.27 -2.00 121.20 125.05 1l1q s ILE 60 Ca 0.45 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1l1q s ILE 60 Cb -0.18 -4.91 0.00 0.00 -1.58 0.00 0.00 42.46 35.79 1l1q s ILE 60 CO 0.16 -1.81 0.00 -0.62 -1.23 0.00 0.00 174.94 171.44 1l1q n GLU 61 N 9.01 -2.41 -0.32 2.79 1.02 0.62 -2.99 120.64 128.36 1l1q n GLU 61 Ca 0.08 1.77 0.23 0.00 -0.02 0.00 0.00 57.16 59.22 1l1q n GLU 61 Cb 0.49 -2.88 0.52 0.00 -0.02 0.00 0.00 31.44 29.55 1l1q n GLU 61 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1l1q h SER 62 N -1.07 0.42 -0.04 1.62 4.64 -1.90 0.25 113.55 117.47 1l1q h SER 62 Ca -0.06 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1l1q h SER 62 Cb 1.05 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1l1q h SER 62 CO 0.03 0.08 0.05 0.08 -0.87 0.00 0.00 176.83 176.21 1l1q h ARG 63 N 0.37 0.00 -0.32 4.77 0.11 -1.98 -1.85 114.38 115.48 1l1q h ARG 63 Ca 0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.67 1l1q h ARG 63 Cb 1.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.61 1l1q h ARG 63 CO -0.27 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.21 1l1q n GLY 64 N -1.29 2.11 0.23 0.08 0.00 0.87 -4.09 105.19 103.10 1l1q n GLY 64 Ca -0.02 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1l1q n GLY 64 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1l1q h PHE 65 N 2.40 1.09 0.78 1.61 -1.00 -1.20 -2.54 116.94 118.07 1l1q h PHE 65 Ca 0.00 -0.47 -0.04 0.00 2.81 0.00 0.00 57.97 60.27 1l1q h PHE 65 Cb 0.72 -0.17 0.01 0.00 3.61 0.00 0.00 35.95 40.12 1l1q h PHE 65 CO 0.21 1.31 -0.37 0.82 -1.61 0.00 0.00 178.31 178.67 1l1q h ILE 66 N 0.56 0.00 0.00 -0.55 2.04 -1.83 -0.29 117.51 117.44 1l1q h ILE 66 Ca -0.05 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.49 1l1q h ILE 66 Cb 1.40 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1l1q h ILE 66 CO 0.16 0.00 -0.67 0.25 0.00 0.00 0.00 178.15 177.89 1l1q h LEU 67 N -1.22 0.00 -0.51 1.44 5.85 -1.90 -2.94 115.31 116.03 1l1q h LEU 67 Ca -0.11 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1l1q h LEU 67 Cb 0.80 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1l1q h LEU 67 CO 0.18 0.67 0.32 1.23 -0.34 0.00 0.00 178.44 180.50 1l1q h GLY 68 N 2.48 0.71 0.99 3.75 0.00 -1.45 0.07 103.07 109.63 1l1q h GLY 68 Ca -0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1l1q h GLY 68 CO 0.09 0.23 -0.03 -1.33 0.00 0.00 0.00 176.54 175.50 1l1q h GLY 69 N 0.65 0.88 0.93 4.60 0.00 -1.04 -1.61 103.07 107.48 1l1q h GLY 69 Ca 0.19 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 46.88 1l1q h GLY 69 CO -0.06 0.61 0.45 -2.22 0.00 0.00 0.00 176.54 175.33 1l1q h ILE 70 N 0.66 1.13 -0.39 2.60 2.04 -1.28 -1.28 117.51 120.99 1l1q h ILE 70 Ca 0.12 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 1l1q h ILE 70 Cb 0.54 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1l1q h ILE 70 CO 0.03 0.17 -0.10 0.58 0.00 0.00 0.00 178.15 178.82 1l1q h VAL 71 N 0.91 1.28 -0.09 1.67 2.07 -0.89 -0.72 116.25 120.48 1l1q h VAL 71 Ca 0.27 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.63 1l1q h VAL 71 Cb -0.04 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1l1q h VAL 71 CO -0.09 0.40 -0.07 0.00 0.02 0.00 0.00 177.57 177.83 1l1q h ALA 72 N 0.83 0.00 -0.27 1.67 0.00 -0.91 0.30 119.26 120.88 1l1q h ALA 72 Ca 0.10 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1l1q h ALA 72 Cb 0.62 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1l1q h ALA 72 CO 0.04 -0.54 -0.20 -0.97 0.00 0.00 0.00 179.25 177.59 1l1q h ASN 73 N -0.09 0.49 -0.39 0.00 -0.73 -1.16 -0.06 115.58 113.64 1l1q h ASN 73 Ca 0.06 -0.15 -0.06 0.00 1.87 0.00 0.00 56.30 58.03 1l1q h ASN 73 Cb 0.18 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1l1q h ASN 73 CO -0.14 0.70 0.03 -1.28 -0.37 0.00 0.00 177.43 176.36 1l1q h SER 74 N 0.45 0.65 1.29 1.15 0.87 -0.63 -2.59 113.55 114.74 1l1q h SER 74 Ca 0.07 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1l1q h SER 74 Cb 0.60 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1l1q h SER 74 CO 0.04 0.78 0.00 -0.07 -0.53 0.00 0.00 176.83 177.05 1l1q h LEU 75 N 0.50 0.00 -0.17 2.23 3.38 -0.73 -3.47 115.31 117.06 1l1q h LEU 75 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1l1q h LEU 75 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1l1q h LEU 75 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1l1q n GLY 76 N 0.33 0.68 3.47 0.83 0.00 -0.18 -5.07 105.19 105.25 1l1q n GLY 76 Ca 0.02 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1l1q n GLY 76 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l1q s VAL 77 N -2.17 1.71 0.64 1.61 -7.23 -0.36 -5.02 120.40 109.57 1l1q s VAL 77 Ca 0.00 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 57.94 1l1q s VAL 77 Cb 0.00 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1l1q s VAL 77 CO 0.00 -0.22 1.04 -0.83 -0.31 0.00 0.00 175.10 174.79 1l1q s GLY 78 N -3.50 1.77 -0.09 2.32 0.00 -1.25 -4.13 107.32 102.45 1l1q s GLY 78 Ca 0.31 0.09 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 1l1q s GLY 78 CO 0.14 0.39 -0.07 -0.12 0.00 0.00 0.00 173.10 173.44 1l1q s PHE 79 N -2.95 2.94 -0.09 1.90 5.36 -1.26 -1.74 117.98 122.14 1l1q s PHE 79 Ca 0.58 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.48 1l1q s PHE 79 Cb -0.13 -1.77 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1l1q s PHE 79 CO 0.50 0.22 -0.13 0.08 -1.46 0.00 0.00 175.22 174.43 1l1q s VAL 80 N -0.51 1.24 0.12 3.12 1.01 -0.08 -4.96 120.40 120.35 1l1q s VAL 80 Ca 0.08 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 1l1q s VAL 80 Cb -0.12 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1l1q s VAL 80 CO 0.02 0.39 0.61 0.00 0.00 0.00 0.00 175.10 176.12 1l1q s ALA 81 N 0.91 3.55 -0.18 5.51 0.00 -1.26 -1.86 121.76 128.41 1l1q s ALA 81 Ca -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1l1q s ALA 81 Cb -0.15 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1l1q s ALA 81 CO 0.01 0.39 -0.13 -1.17 0.00 0.00 0.00 175.76 174.85 1l1q s LEU 82 N -1.43 2.49 0.17 0.00 0.20 -0.85 -4.61 118.68 114.65 1l1q s LEU 82 Ca 0.34 -0.51 0.03 0.00 0.69 0.00 0.00 54.13 54.68 1l1q s LEU 82 Cb -0.18 -1.59 -0.05 0.00 -0.43 0.00 0.00 46.19 43.94 1l1q s LEU 82 CO 0.20 0.02 -0.05 -0.13 -0.29 0.00 0.00 176.35 176.10 1l1q s ARG 83 N 1.18 1.11 0.63 1.98 0.52 -0.46 -0.28 118.95 123.64 1l1q s ARG 83 Ca 0.02 -1.51 -0.18 0.00 -0.52 0.00 0.00 55.73 53.54 1l1q s ARG 83 Cb -0.14 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 34.81 1l1q s ARG 83 CO -0.06 -0.02 1.26 0.15 0.02 0.00 0.00 175.30 176.66 1l1q s LYS 84 N -3.82 2.70 0.49 3.54 1.02 -1.26 0.89 119.74 123.31 1l1q s LYS 84 Ca 0.20 1.97 -0.21 0.00 0.02 0.00 0.00 55.97 57.95 1l1q s LYS 84 Cb 0.04 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 1l1q s LYS 84 CO 0.03 -1.46 0.78 0.00 -0.92 0.00 0.00 175.35 173.78 1l1q n ALA 85 N -1.80 -0.51 0.00 5.17 0.00 0.18 -3.16 120.51 120.38 1l1q n ALA 85 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1l1q n ALA 85 Cb 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1l1q n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l1q n GLY 86 N 1.49 1.89 0.09 0.00 0.00 -1.26 -4.89 105.19 102.50 1l1q n GLY 86 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1l1q n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1l1q n LYS 87 N -2.00 0.65 -3.55 1.61 5.02 -1.19 -4.90 118.16 113.80 1l1q n LYS 87 Ca 0.00 0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 1l1q n LYS 87 Cb 0.00 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.22 1l1q n LYS 87 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1l1q s LEU 88 N -6.00 4.30 0.54 -0.35 1.43 -1.26 -5.10 118.68 112.24 1l1q s LEU 88 Ca -0.07 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1l1q s LEU 88 Cb 0.07 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1l1q s LEU 88 CO 0.82 0.17 0.78 -2.16 0.23 0.00 0.00 176.35 176.19 1l1q s PRO 89 N 0.03 2.72 0.59 1.29 0.04 -1.26 -4.99 135.00 133.42 1l1q s PRO 89 Ca 0.18 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1l1q s PRO 89 Cb -0.14 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1l1q s PRO 89 CO 0.06 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1l1q n GLY 90 N -2.34 -2.19 3.73 0.56 0.00 -1.26 -4.85 105.19 98.85 1l1q n GLY 90 Ca 0.05 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1l1q n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1l1q s ASP 91 N -3.19 6.69 0.05 1.61 1.01 -1.26 -4.97 116.67 116.60 1l1q s ASP 91 Ca 0.00 2.56 0.00 0.00 0.71 0.00 0.00 52.55 55.83 1l1q s ASP 91 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1l1q s ASP 91 CO 0.00 -0.72 -0.05 -0.69 0.21 0.00 0.00 175.17 173.93 1l1q s VAL 92 N 0.59 0.34 -0.08 -1.27 1.01 -1.26 -1.27 120.40 118.46 1l1q s VAL 92 Ca 0.64 -1.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1l1q s VAL 92 Cb -0.41 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1l1q s VAL 92 CO 0.36 -0.73 0.03 0.00 0.00 0.00 0.00 175.10 174.76 1l1q s LYS 94 N -0.99 1.41 -0.22 0.00 0.00 -1.26 -1.92 119.74 116.76 1l1q s LYS 94 Ca 0.14 -1.68 -0.27 0.00 0.00 0.00 0.00 55.97 54.17 1l1q s LYS 94 Cb -0.11 -1.04 0.09 0.00 0.00 0.00 0.00 37.83 36.76 1l1q s LYS 94 CO 0.04 0.08 0.82 0.00 0.00 0.00 0.00 175.35 176.29 1l1q s THR 96 N -0.14 3.29 0.00 0.00 -4.23 -1.26 -0.21 115.64 113.09 1l1q s THR 96 Ca -0.02 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1l1q s THR 96 Cb -0.03 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1l1q s THR 96 CO 0.01 0.54 0.00 2.22 -0.54 0.00 0.00 174.62 176.85 1l1q n PHE 97 N 3.11 -0.07 -3.82 3.99 1.16 0.10 -4.96 117.46 116.98 1l1q n PHE 97 Ca -0.18 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.28 1l1q n PHE 97 Cb 0.53 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.26 1l1q n PHE 97 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1l1q s ASP 98 N 0.01 -0.11 0.38 5.98 1.01 -1.26 -0.84 116.67 121.83 1l1q s ASP 98 Ca 0.00 0.23 0.05 0.00 0.71 0.00 0.00 52.55 53.54 1l1q s ASP 98 Cb 0.00 0.22 -0.07 0.00 1.01 0.00 0.00 42.92 44.08 1l1q s ASP 98 CO 0.00 -0.05 0.03 0.00 0.21 0.00 0.00 175.17 175.36 1l1q s MET 99 N 0.20 1.86 0.27 8.23 0.23 0.82 -4.08 119.30 126.82 1l1q s MET 99 Ca -0.01 -2.06 -0.00 0.00 -1.03 0.00 0.00 55.69 52.59 1l1q s MET 99 Cb -0.02 -1.30 0.61 0.00 -1.53 0.00 0.00 34.83 32.59 1l1q s MET 99 CO -0.01 -0.14 1.38 -1.91 -2.03 0.00 0.00 175.02 172.32 1l1q n GLU 100 N -0.88 -0.07 -1.03 3.16 2.13 -1.26 -2.10 120.64 120.59 1l1q n GLU 100 Ca -0.05 1.33 0.01 0.00 0.66 0.00 0.00 57.16 59.12 1l1q n GLU 100 Cb 0.67 -2.09 0.15 0.00 0.27 0.00 0.00 31.44 30.44 1l1q n GLU 100 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1l1q n TYR 101 N -5.32 0.45 -3.53 4.31 0.18 -1.26 -4.99 117.16 107.00 1l1q n TYR 101 Ca 0.19 -1.47 -0.01 0.00 1.88 0.00 0.00 57.90 58.50 1l1q n TYR 101 Cb 0.62 -0.25 -0.05 0.00 -0.38 0.00 0.00 39.34 39.29 1l1q n TYR 101 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1l1q s GLN 102 N -2.80 0.43 -0.13 -3.48 -0.21 -0.89 -5.03 119.66 107.55 1l1q s GLN 102 Ca 0.39 1.00 0.01 0.00 0.02 0.00 0.00 55.36 56.78 1l1q s GLN 102 Cb 0.38 0.51 -0.01 0.00 1.00 0.00 0.00 33.01 34.89 1l1q s GLN 102 CO -0.07 -0.13 -0.16 0.15 -2.12 0.00 0.00 175.29 172.95 1l1q s LYS 103 N 2.38 3.25 0.00 2.91 3.01 -1.26 -0.13 119.74 129.90 1l1q s LYS 103 Ca -0.05 -0.75 0.00 0.00 -1.01 0.00 0.00 55.97 54.16 1l1q s LYS 103 Cb -0.08 -2.55 0.00 0.00 -1.01 0.00 0.00 37.83 34.20 1l1q s LYS 103 CO -0.18 0.15 0.00 0.41 0.51 0.00 0.00 175.35 176.24 1l1q n GLY 104 N 3.68 1.39 3.87 -3.33 0.00 -0.82 -5.01 105.19 104.97 1l1q n GLY 104 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1l1q n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l1q s VAL 105 N -2.00 4.94 -0.17 1.61 -7.23 -0.02 -4.88 120.40 112.65 1l1q s VAL 105 Ca 0.00 0.49 0.01 0.00 -1.81 0.00 0.00 61.98 60.67 1l1q s VAL 105 Cb 0.00 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.33 1l1q s VAL 105 CO 0.00 -0.01 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.69 1l1q s THR 106 N -1.75 2.01 0.11 5.32 2.01 -1.26 0.01 115.64 122.09 1l1q s THR 106 Ca 0.45 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1l1q s THR 106 Cb -0.12 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 1l1q s THR 106 CO 0.21 0.53 0.12 0.27 -0.69 0.00 0.00 174.62 175.06 1l1q s ILE 107 N 1.24 4.64 0.05 1.82 -4.36 0.70 0.47 121.20 125.76 1l1q s ILE 107 Ca 0.03 -0.82 -0.02 0.00 -0.26 0.00 0.00 60.65 59.59 1l1q s ILE 107 Cb -0.13 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.26 1l1q s ILE 107 CO -0.11 0.05 -0.01 -1.61 0.24 0.00 0.00 174.94 173.50 1l1q s GLU 108 N -2.65 0.58 -0.02 0.37 2.02 0.26 -1.72 118.70 117.53 1l1q s GLU 108 Ca 0.31 -1.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.17 1l1q s GLU 108 Cb -0.12 0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.32 1l1q s GLU 108 CO 0.23 -0.11 0.10 0.54 0.02 0.00 0.00 175.26 176.04 1l1q s VAL 109 N -3.46 0.03 -0.02 2.63 0.11 -0.81 -1.35 120.40 117.53 1l1q s VAL 109 Ca 0.03 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 1l1q s VAL 109 Cb 0.05 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1l1q s VAL 109 CO -0.08 -0.15 1.42 -1.10 -3.33 0.00 0.00 175.10 171.86 1l1q s GLN 110 N -0.45 4.26 0.28 1.54 -0.21 -1.26 -0.92 119.66 122.91 1l1q s GLN 110 Ca -0.05 1.97 0.02 0.00 0.02 0.00 0.00 55.36 57.32 1l1q s GLN 110 Cb -0.03 -3.64 0.68 0.00 1.00 0.00 0.00 33.01 31.02 1l1q s GLN 110 CO 0.00 -0.62 1.70 0.87 -2.12 0.00 0.00 175.29 175.12 1l1q h LYS 111 N 8.06 0.39 0.00 2.91 1.57 -1.50 -1.98 116.57 126.03 1l1q h LYS 111 Ca -0.37 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1l1q h LYS 111 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1l1q h LYS 111 CO 0.91 0.26 0.00 0.07 -0.57 0.00 0.00 179.45 180.12 1l1q h ARG 112 N 0.40 0.00 0.00 3.15 0.11 -1.91 -3.24 114.38 112.89 1l1q h ARG 112 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 1l1q h ARG 112 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 1l1q h ARG 112 CO -0.51 0.00 -0.10 1.96 0.10 0.00 0.00 179.97 181.42 1l1q h GLN 113 N 0.00 0.00 -4.26 0.08 1.08 -1.75 -3.46 115.11 106.80 1l1q h GLN 113 Ca 0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 1l1q h GLN 113 Cb 0.34 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 27.58 1l1q h GLN 113 CO 0.00 0.00 -0.70 -0.51 -0.95 0.00 0.00 178.83 176.67 1l1q s LEU 114 N -5.14 2.33 0.00 1.46 1.43 -1.23 -5.04 118.68 112.49 1l1q s LEU 114 Ca 0.08 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 1l1q s LEU 114 Cb 0.10 0.04 0.05 0.00 0.03 0.00 0.00 46.19 46.40 1l1q s LEU 114 CO 0.64 -0.36 0.68 0.61 0.23 0.00 0.00 176.35 178.16 1l1q n GLY 115 N 1.07 0.66 0.47 -3.19 0.00 -1.25 -4.69 105.19 98.26 1l1q n GLY 115 Ca -0.20 -1.02 0.32 0.00 0.00 0.00 0.00 46.02 45.12 1l1q n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1l1q h PRO 116 N 0.00 0.18 0.00 1.61 0.11 -1.70 -1.51 132.00 130.69 1l1q h PRO 116 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1l1q h PRO 116 Cb 0.71 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1l1q h PRO 116 CO 0.20 0.12 0.00 0.72 -0.21 0.00 0.00 178.00 178.83 1l1q n HIS 117 N -4.51 0.69 -2.72 0.65 8.25 -1.26 -4.62 115.22 111.69 1l1q n HIS 117 Ca 0.31 0.21 -0.38 0.00 -0.26 0.00 0.00 57.72 57.60 1l1q n HIS 117 Cb 1.21 -0.84 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 1l1q n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1l1q s ASP 118 N -4.13 7.30 -0.31 0.41 1.01 -0.57 -4.99 116.67 115.40 1l1q s ASP 118 Ca 0.11 1.92 0.02 0.00 0.71 0.00 0.00 52.55 55.30 1l1q s ASP 118 Cb 0.14 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.55 1l1q s ASP 118 CO 0.56 -0.10 -0.01 -0.69 0.21 0.00 0.00 175.17 175.15 1l1q s VAL 119 N -1.52 2.50 -0.08 -1.27 1.01 -1.26 -4.62 120.40 115.16 1l1q s VAL 119 Ca 0.49 -1.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.49 1l1q s VAL 119 Cb -0.21 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1l1q s VAL 119 CO 0.27 -0.29 0.35 -0.69 0.00 0.00 0.00 175.10 174.74 1l1q s VAL 120 N 1.08 5.20 -0.39 2.92 1.01 0.19 -0.00 120.40 130.41 1l1q s VAL 120 Ca -0.00 0.68 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 1l1q s VAL 120 Cb -0.20 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1l1q s VAL 120 CO -0.05 0.49 0.20 -0.22 0.00 0.00 0.00 175.10 175.52 1l1q s LEU 121 N -0.34 4.82 0.11 3.92 2.96 -0.27 -0.27 118.68 129.62 1l1q s LEU 121 Ca 0.21 -1.34 -0.28 0.00 -0.22 0.00 0.00 54.13 52.49 1l1q s LEU 121 Cb -0.15 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1l1q s LEU 121 CO 0.09 -0.45 0.89 -0.76 -1.32 0.00 0.00 176.35 174.80 1l1q s LEU 122 N 1.42 4.50 -0.07 -0.68 1.43 0.97 -0.73 118.68 125.53 1l1q s LEU 122 Ca 0.02 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1l1q s LEU 122 Cb -0.21 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1l1q s LEU 122 CO 0.03 -0.00 -0.13 -2.28 0.23 0.00 0.00 176.35 174.20 1l1q s HIS 123 N -0.21 1.51 0.04 0.29 2.46 -0.30 -0.41 115.29 118.68 1l1q s HIS 123 Ca 0.43 -0.56 0.04 0.00 0.47 0.00 0.00 55.06 55.44 1l1q s HIS 123 Cb -0.23 -1.10 -0.02 0.00 -0.13 0.00 0.00 32.58 31.10 1l1q s HIS 123 CO 0.28 -0.28 -0.11 0.34 -2.47 0.00 0.00 174.74 172.49 1l1q s ASP 124 N 0.64 1.31 0.03 9.88 2.15 -0.71 -1.11 116.67 128.85 1l1q s ASP 124 Ca -0.15 -0.50 -0.21 0.00 0.43 0.00 0.00 52.55 52.12 1l1q s ASP 124 Cb -0.16 -0.04 -0.15 0.00 -0.30 0.00 0.00 42.92 42.27 1l1q s ASP 124 CO 0.04 -0.07 1.36 -2.24 -0.17 0.00 0.00 175.17 174.09 1l1q h ASP 125 N 4.72 0.29 -3.70 -0.34 -0.00 -1.88 -2.56 116.42 112.94 1l1q h ASP 125 Ca -0.37 -0.45 -0.43 0.00 -0.00 0.00 0.00 57.03 55.78 1l1q h ASP 125 Cb 1.19 -0.08 -0.32 0.00 -0.00 0.00 0.00 39.33 40.12 1l1q h ASP 125 CO 0.42 0.68 -0.78 -0.69 -0.00 0.00 0.00 179.24 178.86 1l1q s VAL 126 N -4.42 0.75 -0.39 4.15 1.01 -1.26 -1.12 120.40 119.11 1l1q s VAL 126 Ca -0.14 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1l1q s VAL 126 Cb 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1l1q s VAL 126 CO 0.73 0.25 0.26 -0.22 0.00 0.00 0.00 175.10 176.11 1l1q s LEU 127 N 0.38 4.92 0.00 3.92 2.96 -0.29 -4.98 118.68 125.59 1l1q s LEU 127 Ca -0.06 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 1l1q s LEU 127 Cb -0.10 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1l1q s LEU 127 CO 0.01 -0.42 0.00 0.00 -1.32 0.00 0.00 176.35 174.62 1l1q n ALA 128 N 5.09 0.00 0.20 5.97 0.00 -1.26 -2.02 120.51 128.48 1l1q n ALA 128 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1l1q n ALA 128 Cb 0.47 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.16 1l1q n ALA 128 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1l1q h THR 129 N 0.00 0.47 0.00 0.00 1.35 -1.93 -3.20 112.91 109.60 1l1q h THR 129 Ca 0.00 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1l1q h THR 129 Cb 0.00 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1l1q h THR 129 CO 0.00 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 1l1q n GLY 130 N 0.79 0.77 0.33 5.82 0.00 -1.26 -4.36 105.19 107.28 1l1q n GLY 130 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1l1q n GLY 130 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1l1q h GLY 131 N 0.00 1.25 0.91 -0.02 0.00 -1.92 -1.20 103.07 102.09 1l1q h GLY 131 Ca 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 1l1q h GLY 131 CO 0.00 0.70 -0.04 -0.84 0.00 0.00 0.00 176.54 176.35 1l1q h THR 132 N 1.11 1.27 -0.44 4.70 2.02 -1.93 -2.26 112.91 117.38 1l1q h THR 132 Ca 0.24 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1l1q h THR 132 Cb 0.32 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1l1q h THR 132 CO -0.01 0.34 0.12 -0.07 0.37 0.00 0.00 175.52 176.28 1l1q h LEU 133 N 0.39 0.65 -0.75 2.58 3.38 -1.93 -0.44 115.31 119.19 1l1q h LEU 133 Ca 0.09 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1l1q h LEU 133 Cb 0.52 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1l1q h LEU 133 CO 0.03 0.70 0.48 0.25 0.09 0.00 0.00 178.44 179.98 1l1q h LEU 134 N 0.57 0.79 -0.95 1.67 5.85 -1.19 -0.60 115.31 121.45 1l1q h LEU 134 Ca 0.14 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1l1q h LEU 134 Cb 0.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1l1q h LEU 134 CO -0.00 0.54 -0.07 0.00 -0.34 0.00 0.00 178.44 178.58 1l1q h ALA 135 N 1.32 1.12 -0.62 1.25 0.00 -1.13 -2.52 119.26 118.68 1l1q h ALA 135 Ca 0.30 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1l1q h ALA 135 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1l1q h ALA 135 CO -0.11 0.55 0.03 0.00 0.00 0.00 0.00 179.25 179.73 1l1q h ALA 136 N 1.29 0.83 -0.51 0.00 0.00 0.16 -1.40 119.26 119.62 1l1q h ALA 136 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1l1q h ALA 136 Cb 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1l1q h ALA 136 CO 0.03 0.65 0.22 0.82 0.00 0.00 0.00 179.25 180.97 1l1q h ILE 137 N 0.97 1.20 -0.26 0.00 2.04 -1.02 -1.64 117.51 118.81 1l1q h ILE 137 Ca 0.18 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.46 1l1q h ILE 137 Cb 0.53 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1l1q h ILE 137 CO 0.03 0.23 0.07 -0.33 0.00 0.00 0.00 178.15 178.15 1l1q h GLU 138 N 0.68 0.18 -0.39 2.37 5.08 -1.15 -0.83 114.58 120.51 1l1q h GLU 138 Ca 0.17 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1l1q h GLU 138 Cb 0.16 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1l1q h GLU 138 CO -0.02 0.12 0.18 -0.07 -1.00 0.00 0.00 179.01 178.22 1l1q h LEU 139 N 0.18 0.25 -0.75 1.33 3.38 -0.97 0.10 115.31 118.84 1l1q h LEU 139 Ca 0.12 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1l1q h LEU 139 Cb 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1l1q h LEU 139 CO -0.13 0.18 0.48 0.00 0.09 0.00 0.00 178.44 179.06 1l1q h GLU 141 N 0.97 0.78 0.00 0.00 5.08 -0.57 -1.35 114.58 119.49 1l1q h GLU 141 Ca 0.28 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1l1q h GLU 141 Cb -0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1l1q h GLU 141 CO -0.08 0.89 -0.32 1.79 -1.00 0.00 0.00 179.01 180.29 1l1q h THR 142 N 0.70 1.15 0.00 1.13 1.35 -0.49 -1.25 112.91 115.49 1l1q h THR 142 Ca 0.11 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1l1q h THR 142 Cb 0.65 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1l1q h THR 142 CO 0.05 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 175.63 1l1q n ALA 143 N -2.44 2.22 0.00 6.62 0.00 -0.60 -4.89 120.51 121.42 1l1q n ALA 143 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1l1q n ALA 143 Cb 0.37 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1l1q n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l1q n GLY 144 N 0.96 0.95 3.74 0.00 0.00 -0.47 -3.94 105.19 106.44 1l1q n GLY 144 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1l1q n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l1q s VAL 145 N -2.00 3.40 0.25 1.61 1.01 -0.55 -2.26 120.40 121.86 1l1q s VAL 145 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1l1q s VAL 145 Cb 0.00 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1l1q s VAL 145 CO 0.00 0.21 1.07 -0.54 0.00 0.00 0.00 175.10 175.84 1l1q s LYS 146 N -0.48 4.67 0.27 2.72 1.02 -1.26 -4.16 119.74 122.51 1l1q s LYS 146 Ca 0.52 1.73 -0.01 0.00 0.02 0.00 0.00 55.97 58.23 1l1q s LYS 146 Cb -0.34 -3.23 0.59 0.00 -0.52 0.00 0.00 37.83 34.33 1l1q s LYS 146 CO 0.39 0.23 1.68 -1.35 -0.92 0.00 0.00 175.35 175.38 1l1q h PRO 147 N 4.19 0.27 0.00 -1.68 0.11 -1.96 0.34 132.00 133.27 1l1q h PRO 147 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1l1q h PRO 147 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1l1q h PRO 147 CO 0.68 0.18 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 1l1q n GLU 148 N -5.16 0.34 -0.84 1.05 4.71 -1.26 -2.92 120.64 116.57 1l1q n GLU 148 Ca 0.18 0.09 -0.05 0.00 -0.01 0.00 0.00 57.16 57.36 1l1q n GLU 148 Cb 0.56 -1.50 0.23 0.00 -1.01 0.00 0.00 31.44 29.72 1l1q n GLU 148 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1l1q n ASN 149 N -1.22 3.40 -4.19 1.62 3.02 0.12 -4.94 115.26 113.07 1l1q n ASN 149 Ca 0.10 -3.49 -0.31 0.00 -0.03 0.00 0.00 54.58 50.85 1l1q n ASN 149 Cb 0.13 -0.67 -0.17 0.00 -0.61 0.00 0.00 39.78 38.46 1l1q n ASN 149 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1l1q s ILE 150 N -3.13 1.96 0.12 2.41 1.01 -1.15 -0.64 121.20 121.78 1l1q s ILE 150 Ca 0.48 -0.95 0.09 0.00 0.00 0.00 0.00 60.65 60.27 1l1q s ILE 150 Cb 0.41 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1l1q s ILE 150 CO 0.06 0.54 -0.22 -0.31 0.00 0.00 0.00 174.94 175.00 1l1q s TYR 151 N 0.47 1.92 -0.05 3.97 1.51 0.63 -4.77 117.35 121.04 1l1q s TYR 151 Ca -0.16 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1l1q s TYR 151 Cb -0.17 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1l1q s TYR 151 CO 0.06 0.26 -0.18 0.42 -1.11 0.00 0.00 175.55 175.00 1l1q s ILE 152 N -1.24 1.53 -0.04 2.71 1.01 0.31 -0.02 121.20 125.46 1l1q s ILE 152 Ca 0.09 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1l1q s ILE 152 Cb -0.10 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1l1q s ILE 152 CO 0.05 0.44 -0.09 0.21 0.00 0.00 0.00 174.94 175.55 1l1q s ASN 153 N 0.05 1.32 0.07 3.58 2.47 0.45 -0.69 114.94 122.18 1l1q s ASN 153 Ca -0.05 -0.21 0.06 0.00 0.42 0.00 0.00 52.86 53.08 1l1q s ASN 153 Cb -0.12 -0.47 -0.03 0.00 -1.45 0.00 0.00 41.25 39.18 1l1q s ASN 153 CO 0.03 0.04 -0.15 0.68 -3.72 0.00 0.00 177.10 173.97 1l1q s VAL 154 N 0.42 1.23 -0.01 -5.21 -7.23 -0.66 -1.74 120.40 107.20 1l1q s VAL 154 Ca -0.07 -1.26 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 1l1q s VAL 154 Cb -0.11 -1.15 -0.22 0.00 0.56 0.00 0.00 36.38 35.46 1l1q s VAL 154 CO 0.01 -0.13 1.11 0.25 -0.31 0.00 0.00 175.10 176.04 1l1q h LEU 155 N 4.44 0.44 -7.82 1.32 5.85 -1.08 -1.50 115.31 116.95 1l1q h LEU 155 Ca -0.41 -0.73 -0.47 0.00 0.84 0.00 0.00 57.88 57.11 1l1q h LEU 155 Cb 1.19 -0.13 -0.34 0.00 0.37 0.00 0.00 40.66 41.74 1l1q h LEU 155 CO 0.41 1.10 -0.79 -0.47 -0.34 0.00 0.00 178.44 178.35 1l1q s TYR 156 N -3.32 1.13 -0.19 1.25 5.04 -0.27 -0.94 117.35 120.05 1l1q s TYR 156 Ca -0.14 -0.41 -0.03 0.00 -2.44 0.00 0.00 57.07 54.06 1l1q s TYR 156 Cb 0.03 -0.91 -0.01 0.00 0.35 0.00 0.00 41.96 41.42 1l1q s TYR 156 CO 0.79 -0.27 -0.08 -2.00 -1.34 0.00 0.00 175.55 172.65 1l1q s GLU 157 N 0.97 3.37 -1.16 4.97 2.12 0.61 -1.14 118.70 128.45 1l1q s GLU 157 Ca -0.10 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 54.48 1l1q s GLU 157 Cb -0.15 -2.88 0.24 0.00 0.26 0.00 0.00 34.13 31.60 1l1q s GLU 157 CO 0.00 -0.06 1.27 -0.89 -0.54 0.00 0.00 175.26 175.04 1l1q n ILE 158 N 4.38 4.47 -0.36 -3.70 5.41 -0.86 -1.15 119.36 127.54 1l1q n ILE 158 Ca -0.18 -5.13 0.33 0.00 1.00 0.00 0.00 62.75 58.77 1l1q n ILE 158 Cb 0.51 -2.52 0.67 0.00 -0.71 0.00 0.00 39.64 37.59 1l1q n ILE 158 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1l1q h GLU 159 N 6.78 0.13 -0.82 0.38 5.08 -1.89 -2.04 114.58 122.19 1l1q h GLU 159 Ca 0.24 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.79 1l1q h GLU 159 Cb 0.86 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1l1q h GLU 159 CO 1.13 0.09 0.56 0.00 -1.00 0.00 0.00 179.01 179.78 1l1q h ALA 160 N 1.47 2.34 -0.18 3.43 0.00 -1.96 0.84 119.26 125.21 1l1q h ALA 160 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1l1q h ALA 160 Cb 2.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1l1q h ALA 160 CO -0.15 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 179.80 1l1q n LEU 161 N -4.44 1.05 -4.28 0.00 4.77 -0.77 -4.93 117.00 108.40 1l1q n LEU 161 Ca 0.17 -0.50 -0.36 0.00 -0.03 0.00 0.00 56.01 55.29 1l1q n LEU 161 Cb 0.70 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 1l1q n LEU 161 CO 0.33 0.25 -0.26 2.29 -1.33 0.00 0.00 177.39 178.67 1l1q n LYS 162 N 0.03 -0.81 0.18 3.23 2.85 0.29 -4.69 118.16 119.23 1l1q n LYS 162 Ca 0.09 0.11 0.02 0.00 -1.05 0.00 0.00 58.31 57.48 1l1q n LYS 162 Cb 0.18 -3.99 0.33 0.00 -0.65 0.00 0.00 35.03 30.90 1l1q n LYS 162 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1l1q h GLY 163 N -1.11 0.00 0.68 2.58 0.00 -1.75 -3.05 103.07 100.42 1l1q h GLY 163 Ca -0.58 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.80 1l1q h GLY 163 CO 0.77 0.00 0.20 -0.09 0.00 0.00 0.00 176.54 177.42 1l1q h ARG 164 N 0.00 0.39 -0.48 4.80 2.43 -1.87 0.70 114.38 120.36 1l1q h ARG 164 Ca -0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1l1q h ARG 164 Cb 0.75 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1l1q h ARG 164 CO 0.05 0.26 -0.14 1.49 -1.51 0.00 0.00 179.97 180.13 1l1q h GLU 165 N 0.40 0.91 0.02 0.20 4.81 -1.93 0.84 114.58 119.84 1l1q h GLU 165 Ca 0.21 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1l1q h GLU 165 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1l1q h GLU 165 CO -0.18 0.98 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.81 1l1q h LYS 166 N 0.80 -0.11 0.00 1.92 1.63 -1.32 -2.28 116.57 117.21 1l1q h LYS 166 Ca 0.12 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1l1q h LYS 166 Cb 0.67 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1l1q h LYS 166 CO 0.05 -0.08 -0.25 0.28 -3.45 0.00 0.00 179.45 176.01 1l1q h VAL 167 N -0.12 0.69 0.00 2.00 2.07 -0.75 -3.05 116.25 117.09 1l1q h VAL 167 Ca 0.02 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1l1q h VAL 167 Cb 0.14 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1l1q h VAL 167 CO -0.05 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1l1q n GLY 168 N -0.09 -0.73 0.18 2.17 0.00 0.28 -0.88 105.19 106.12 1l1q n GLY 168 Ca -0.01 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1l1q n GLY 168 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1l1q h GLN 169 N 0.00 0.00 0.00 1.61 1.08 -1.59 -3.35 115.11 112.86 1l1q h GLN 169 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1l1q h GLN 169 Cb 0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1l1q h GLN 169 CO 0.00 0.38 -1.40 1.63 -0.95 0.00 0.00 178.83 178.50 1l1q n LYS 170 N -3.49 2.53 -3.67 1.46 4.76 -0.47 -5.03 118.16 114.23 1l1q n LYS 170 Ca 0.00 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1l1q n LYS 170 Cb 0.53 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.47 1l1q n LYS 170 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1l1q n THR 172 N 4.88 0.77 -3.26 0.00 -2.24 -1.26 -3.54 114.28 109.63 1l1q n THR 172 Ca -0.15 -0.88 -0.45 0.00 -2.27 0.00 0.00 64.05 60.30 1l1q n THR 172 Cb 0.52 0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1l1q n THR 172 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1l1q s ARG 173 N -1.03 4.20 -0.22 -0.78 0.52 -1.26 -4.98 118.95 115.40 1l1q s ARG 173 Ca 0.26 -3.11 0.02 0.00 -0.52 0.00 0.00 55.73 52.37 1l1q s ARG 173 Cb 0.14 -4.66 0.04 0.00 0.52 0.00 0.00 34.95 30.99 1l1q s ARG 173 CO 0.19 -1.34 -0.14 -1.17 0.02 0.00 0.00 175.30 172.86 1l1q s LEU 174 N -0.74 2.66 -0.24 2.53 2.96 -1.26 -0.53 118.68 124.05 1l1q s LEU 174 Ca 0.33 -1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.22 1l1q s LEU 174 Cb -0.09 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1l1q s LEU 174 CO -0.06 -0.12 -0.05 0.12 -1.32 0.00 0.00 176.35 174.92 1l1q s PHE 175 N 1.26 3.03 -0.13 5.38 5.36 0.13 -5.02 117.98 128.00 1l1q s PHE 175 Ca -0.02 -1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 54.56 1l1q s PHE 175 Cb -0.17 -2.09 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 1l1q s PHE 175 CO -0.09 -0.67 0.03 -1.54 -1.46 0.00 0.00 175.22 171.50 1l1q s SER 176 N 1.38 5.46 0.05 6.13 1.04 -1.26 -1.65 113.70 124.84 1l1q s SER 176 Ca 0.02 0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.42 1l1q s SER 176 Cb -0.16 -1.74 -0.20 0.00 0.10 0.00 0.00 66.02 64.01 1l1q s SER 176 CO -0.04 0.29 1.19 0.58 0.98 0.00 0.00 173.24 176.25 1l1q h VAL 177 N 4.48 1.35 -4.11 5.02 2.07 -1.22 -3.46 116.25 120.38 1l1q h VAL 177 Ca -0.45 -2.02 -0.47 0.00 0.82 0.00 0.00 66.70 64.59 1l1q h VAL 177 Cb 1.19 2.32 -0.27 0.00 -1.52 0.00 0.00 31.29 33.01 1l1q h VAL 177 CO 0.61 0.61 -0.80 -0.63 0.02 0.00 0.00 177.57 177.38 1l1q s ILE 178 N -3.47 1.13 -0.00 4.57 1.01 -0.11 -5.03 121.20 119.30 1l1q s ILE 178 Ca -0.12 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.77 1l1q s ILE 178 Cb 0.06 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1l1q s ILE 178 CO 0.86 0.14 -0.24 -0.13 0.00 0.00 0.00 174.94 175.57 1l1q s ARG 179 N -0.81 1.84 0.31 2.79 0.52 -1.26 -0.28 118.95 122.06 1l1q s ARG 179 Ca 0.03 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.05 1l1q s ARG 179 Cb -0.07 -1.83 -0.12 0.00 0.52 0.00 0.00 34.95 33.45 1l1q s ARG 179 CO 0.01 0.49 1.51 -1.91 0.02 0.00 0.00 175.30 175.42 1l1q n GLU 180 N 2.31 2.54 -2.01 3.54 2.13 -0.30 -4.91 120.64 123.93 1l1q n GLU 180 Ca -0.16 0.90 -0.38 0.00 0.66 0.00 0.00 57.16 58.18 1l1q n GLU 180 Cb 0.52 -2.63 0.02 0.00 0.27 0.00 0.00 31.44 29.62 1l1q n GLU 180 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1l1q s HIS 181 N -0.41 2.55 -2.46 4.31 3.76 -1.26 -4.87 115.29 116.91 1l1q s HIS 181 Ca 0.61 1.46 0.28 0.00 -0.15 0.00 0.00 55.06 57.26 1l1q s HIS 181 Cb -0.52 -3.59 1.12 0.00 1.11 0.00 0.00 32.58 30.70 1l1q s HIS 181 CO 0.54 -2.24 1.78 0.72 -0.85 0.00 0.00 174.74 174.70