#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8l n GLY 2 N 0.00 0.93 0.20 -5.12 0.00 -1.26 -4.33 105.19 95.62 1a8l n GLY 2 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1a8l n GLY 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a8l h LEU 3 N 11.80 0.00 -7.27 0.99 -0.00 -2.01 -3.37 115.31 115.44 1a8l h LEU 3 Ca 0.09 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.48 1a8l h LEU 3 Cb 0.28 0.00 -0.40 0.00 -0.00 0.00 0.00 40.66 40.54 1a8l h LEU 3 CO 1.18 0.00 -0.76 -0.63 -0.00 0.00 0.00 178.44 178.23 1a8l s ILE 4 N -3.44 0.36 0.79 1.22 1.01 -1.26 -5.11 121.20 114.76 1a8l s ILE 4 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1a8l s ILE 4 Cb 0.09 -0.81 0.07 0.00 0.01 0.00 0.00 42.46 41.82 1a8l s ILE 4 CO 0.51 -0.11 1.13 -0.94 0.00 0.00 0.00 174.94 175.52 1a8l s SER 5 N 1.95 4.07 0.44 3.58 1.04 -1.26 -4.81 113.70 118.70 1a8l s SER 5 Ca 0.01 2.05 0.13 0.00 0.48 0.00 0.00 55.95 58.62 1a8l s SER 5 Cb -0.16 -2.55 0.96 0.00 0.10 0.00 0.00 66.02 64.37 1a8l s SER 5 CO -0.07 -2.33 1.98 0.44 0.98 0.00 0.00 173.24 174.23 1a8l h ASP 6 N -1.03 0.05 -0.29 7.02 3.32 -1.99 -0.51 116.42 122.98 1a8l h ASP 6 Ca -0.45 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 1a8l h ASP 6 Cb 1.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1a8l h ASP 6 CO 0.49 0.22 -0.34 0.00 -1.72 0.00 0.00 179.24 177.89 1a8l h ALA 7 N 1.79 0.72 -0.66 3.45 0.00 -2.01 -2.83 119.26 119.73 1a8l h ALA 7 Ca 0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1a8l h ALA 7 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1a8l h ALA 7 CO 0.02 0.66 0.18 -0.44 0.00 0.00 0.00 179.25 179.68 1a8l h ASP 8 N 0.68 0.98 -0.92 0.00 5.19 -1.60 -2.76 116.42 117.99 1a8l h ASP 8 Ca 0.07 -0.22 0.05 0.00 -0.62 0.00 0.00 57.03 56.31 1a8l h ASP 8 Cb 0.89 -0.26 -0.06 0.00 0.18 0.00 0.00 39.33 40.08 1a8l h ASP 8 CO 0.08 0.95 0.59 0.11 -3.12 0.00 0.00 179.24 177.84 1a8l h LYS 9 N 0.97 1.06 -0.49 3.56 1.57 -0.91 0.51 116.57 122.84 1a8l h LYS 9 Ca 0.21 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1a8l h LYS 9 Cb 0.33 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1a8l h LYS 9 CO -0.00 0.70 0.23 0.87 -0.57 0.00 0.00 179.45 180.68 1a8l h LYS 10 N 1.10 0.71 -0.02 3.15 1.57 -1.27 -0.26 116.57 121.55 1a8l h LYS 10 Ca 0.38 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1a8l h LYS 10 Cb 0.10 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1a8l h LYS 10 CO -0.15 0.61 0.01 0.28 -0.57 0.00 0.00 179.45 179.62 1a8l h VAL 11 N 0.65 1.10 -0.16 0.50 2.07 -1.14 -0.61 116.25 118.66 1a8l h VAL 11 Ca 0.17 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1a8l h VAL 11 Cb 0.13 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1a8l h VAL 11 CO -0.02 0.08 -0.06 0.40 0.02 0.00 0.00 177.57 177.99 1a8l h ILE 12 N -0.09 0.80 -0.45 4.57 2.04 -0.75 0.11 117.51 123.74 1a8l h ILE 12 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1a8l h ILE 12 Cb 0.12 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1a8l h ILE 12 CO -0.00 0.00 0.28 0.11 0.00 0.00 0.00 178.15 178.53 1a8l h LYS 13 N -0.03 0.54 -0.01 2.37 1.57 -0.90 -1.58 116.57 118.53 1a8l h LYS 13 Ca 0.08 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1a8l h LYS 13 Cb 0.15 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1a8l h LYS 13 CO -0.18 0.36 -0.58 1.49 -0.57 0.00 0.00 179.45 179.97 1a8l h GLU 14 N 0.56 0.40 0.00 3.15 4.57 -0.81 -2.04 114.58 120.41 1a8l h GLU 14 Ca 0.17 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1a8l h GLU 14 Cb -0.02 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1a8l h GLU 14 CO -0.06 1.09 -0.78 0.39 -1.18 0.00 0.00 179.01 178.47 1a8l n GLU 15 N -4.23 0.07 0.02 1.92 -0.58 0.35 -4.49 120.64 113.70 1a8l n GLU 15 Ca -0.10 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1a8l n GLU 15 Cb 0.66 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 1a8l n GLU 15 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1a8l n PHE 16 N -1.62 -0.16 0.30 -0.32 3.01 -0.66 -4.87 117.46 113.14 1a8l n PHE 16 Ca 0.04 0.03 0.16 0.00 1.01 0.00 0.00 57.45 58.69 1a8l n PHE 16 Cb 0.36 0.11 0.75 0.00 -0.01 0.00 0.00 39.48 40.69 1a8l n PHE 16 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 1a8l h PHE 17 N 0.00 0.00 0.00 1.38 0.04 -1.44 -1.43 116.94 115.49 1a8l h PHE 17 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1a8l h PHE 17 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1a8l h PHE 17 CO 0.00 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.37 1a8l h SER 18 N 0.00 0.00 -0.20 2.17 4.64 -1.59 -2.66 113.55 115.91 1a8l h SER 18 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a8l h SER 18 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1a8l h SER 18 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1a8l n LYS 19 N -2.78 1.93 -2.36 4.77 5.02 -0.54 -4.96 118.16 119.24 1a8l n LYS 19 Ca 0.01 -1.40 -0.34 0.00 -2.02 0.00 0.00 58.31 54.56 1a8l n LYS 19 Cb 0.25 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1a8l n LYS 19 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1a8l s MET 20 N -1.75 3.63 0.00 1.97 -1.94 -1.01 -4.85 119.30 115.35 1a8l s MET 20 Ca 0.34 1.31 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 1a8l s MET 20 Cb 0.19 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.96 1a8l s MET 20 CO 0.28 -0.57 0.00 0.28 -0.01 0.00 0.00 175.02 175.00 1a8l n VAL 21 N -1.34 0.00 -3.21 -6.03 0.31 -1.26 -5.03 118.33 101.77 1a8l n VAL 21 Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.12 1a8l n VAL 21 Cb 0.53 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 1a8l n VAL 21 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1a8l s ASN 22 N -2.97 6.54 0.33 4.52 0.01 -0.98 -5.03 114.94 117.36 1a8l s ASN 22 Ca 0.00 0.93 -0.29 0.00 -0.71 0.00 0.00 52.86 52.79 1a8l s ASN 22 Cb 0.00 -2.23 -0.10 0.00 0.41 0.00 0.00 41.25 39.32 1a8l s ASN 22 CO 0.00 -0.22 1.38 -2.16 -1.51 0.00 0.00 177.10 174.59 1a8l s PRO 23 N -3.39 4.28 -0.02 -0.60 0.04 -1.26 -4.61 135.00 129.44 1a8l s PRO 23 Ca 0.48 2.33 0.07 0.00 0.04 0.00 0.00 61.00 63.91 1a8l s PRO 23 Cb -0.11 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1a8l s PRO 23 CO 0.27 -0.32 -0.23 0.08 0.04 0.00 0.00 177.00 176.84 1a8l s VAL 24 N -0.97 2.32 -0.13 -0.36 1.01 0.18 -1.64 120.40 120.81 1a8l s VAL 24 Ca 0.51 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1a8l s VAL 24 Cb -0.42 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1a8l s VAL 24 CO 0.54 0.56 -0.19 -0.75 0.00 0.00 0.00 175.10 175.27 1a8l s LYS 25 N -0.71 2.65 -0.41 2.72 2.20 -0.20 -1.43 119.74 124.56 1a8l s LYS 25 Ca 0.11 -0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 54.81 1a8l s LYS 25 Cb -0.10 -2.19 0.02 0.00 -1.51 0.00 0.00 37.83 34.04 1a8l s LYS 25 CO -0.00 -0.05 0.57 -0.51 -0.36 0.00 0.00 175.35 174.99 1a8l s LEU 26 N 0.94 4.52 -0.37 5.43 1.43 0.61 -1.86 118.68 129.38 1a8l s LEU 26 Ca -0.06 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 1a8l s LEU 26 Cb -0.15 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.44 1a8l s LEU 26 CO -0.03 -0.65 0.34 -0.63 0.23 0.00 0.00 176.35 175.61 1a8l s ILE 27 N 2.57 5.20 -0.15 -0.59 1.01 -0.88 -1.18 121.20 127.17 1a8l s ILE 27 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 1a8l s ILE 27 Cb -0.15 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1a8l s ILE 27 CO 0.16 -0.16 -0.02 -0.69 0.00 0.00 0.00 174.94 174.23 1a8l s VAL 28 N 1.91 4.05 -0.18 2.92 1.01 -0.16 -1.56 120.40 128.39 1a8l s VAL 28 Ca 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1a8l s VAL 28 Cb -0.17 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1a8l s VAL 28 CO 0.11 0.50 -0.02 -0.36 0.00 0.00 0.00 175.10 175.33 1a8l s PHE 29 N 0.26 3.02 0.34 5.22 0.40 0.61 0.60 117.98 128.44 1a8l s PHE 29 Ca -0.02 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1a8l s PHE 29 Cb -0.14 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1a8l s PHE 29 CO 0.02 -0.17 0.10 0.14 0.70 0.00 0.00 175.22 176.01 1a8l s VAL 30 N 0.75 0.78 0.27 -0.44 -7.23 -0.02 -2.14 120.40 112.38 1a8l s VAL 30 Ca -0.01 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 1a8l s VAL 30 Cb -0.14 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1a8l s VAL 30 CO 0.02 0.00 0.55 0.00 -0.31 0.00 0.00 175.10 175.36 1a8l s ARG 31 N -3.84 1.67 -0.03 4.82 1.70 -1.26 -0.51 118.95 121.50 1a8l s ARG 31 Ca 0.32 -1.25 -0.05 0.00 -0.47 0.00 0.00 55.73 54.28 1a8l s ARG 31 Cb 0.06 0.51 -0.28 0.00 -0.57 0.00 0.00 34.95 34.66 1a8l s ARG 31 CO 0.15 -0.72 0.72 0.87 -1.08 0.00 0.00 175.30 175.24 1a8l h LYS 32 N 2.17 0.28 -5.29 3.89 1.79 -2.01 -3.42 116.57 113.99 1a8l h LYS 32 Ca -0.25 -0.48 -0.61 0.00 -2.18 0.00 0.00 60.65 57.13 1a8l h LYS 32 Cb 1.25 0.18 -0.12 0.00 -1.58 0.00 0.00 32.23 31.95 1a8l h LYS 32 CO 0.33 1.15 -0.39 -0.51 -1.08 0.00 0.00 179.45 178.95 1a8l s ASP 33 N -7.03 6.28 -0.82 0.86 1.01 -1.26 -4.48 116.67 111.23 1a8l s ASP 33 Ca -0.13 0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.44 1a8l s ASP 33 Cb 0.06 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1a8l s ASP 33 CO 0.84 0.06 0.69 1.41 0.21 0.00 0.00 175.17 178.38 1a8l n HIS 34 N 4.04 -1.51 -3.22 4.23 8.25 -1.26 -4.99 115.22 120.76 1a8l n HIS 34 Ca -0.13 0.64 -0.24 0.00 -0.26 0.00 0.00 57.72 57.73 1a8l n HIS 34 Cb 0.52 -4.08 -0.06 0.00 1.12 0.00 0.00 29.99 27.49 1a8l n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a8l h GLN 36 N 3.73 0.76 -0.34 0.00 4.15 -1.95 -2.50 115.11 118.97 1a8l h GLN 36 Ca 0.11 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1a8l h GLN 36 Cb 0.80 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 1a8l h GLN 36 CO 0.60 0.50 0.00 0.66 -1.93 0.00 0.00 178.83 178.67 1a8l n TYR 37 N -4.76 1.21 -0.31 3.99 4.01 -1.26 -4.61 117.16 115.44 1a8l n TYR 37 Ca 0.17 -0.87 -0.04 0.00 -0.16 0.00 0.00 57.90 57.00 1a8l n TYR 37 Cb 0.37 -0.37 0.11 0.00 -0.31 0.00 0.00 39.34 39.14 1a8l n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8l h ASP 39 N 1.20 0.78 -0.50 0.00 3.32 -1.81 -0.42 116.42 118.98 1a8l h ASP 39 Ca 0.30 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1a8l h ASP 39 Cb 0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1a8l h ASP 39 CO -0.05 0.95 -0.04 1.56 -1.72 0.00 0.00 179.24 179.94 1a8l h GLN 40 N 0.69 0.91 -0.40 3.56 4.20 -1.79 -1.25 115.11 121.02 1a8l h GLN 40 Ca 0.10 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1a8l h GLN 40 Cb 0.67 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1a8l h GLN 40 CO 0.05 0.96 0.19 1.25 -0.67 0.00 0.00 178.83 180.61 1a8l h LEU 41 N 0.77 0.52 -0.00 1.46 5.85 -1.00 -1.08 115.31 121.82 1a8l h LEU 41 Ca 0.14 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1a8l h LEU 41 Cb 0.58 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1a8l h LEU 41 CO 0.03 0.49 -0.23 0.11 -0.34 0.00 0.00 178.44 178.50 1a8l h LYS 42 N 0.50 -0.35 0.00 1.25 1.57 -0.82 -2.50 116.57 116.22 1a8l h LYS 42 Ca 0.14 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1a8l h LYS 42 Cb 0.11 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1a8l h LYS 42 CO -0.02 -0.23 -0.33 0.37 -0.57 0.00 0.00 179.45 178.66 1a8l h GLN 43 N -0.37 0.00 0.03 3.15 4.15 -1.09 -2.62 115.11 118.36 1a8l h GLN 43 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1a8l h GLN 43 Cb 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1a8l h GLN 43 CO -0.21 0.33 -0.02 1.25 -1.93 0.00 0.00 178.83 178.25 1a8l h LEU 44 N 0.00 -0.04 -1.12 -2.39 5.85 -0.83 -1.40 115.31 115.37 1a8l h LEU 44 Ca -0.00 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 1a8l h LEU 44 Cb 0.60 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1a8l h LEU 44 CO 0.04 0.17 -0.04 0.58 -0.34 0.00 0.00 178.44 178.86 1a8l h VAL 45 N -0.25 1.22 -0.47 1.05 2.07 -1.39 -1.28 116.25 117.19 1a8l h VAL 45 Ca -0.00 -0.90 -0.14 0.00 0.82 0.00 0.00 66.70 66.48 1a8l h VAL 45 Cb 0.23 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1a8l h VAL 45 CO 0.01 0.30 -0.24 0.06 0.02 0.00 0.00 177.57 177.72 1a8l h GLN 46 N 0.54 0.99 -0.26 1.57 3.07 -1.35 -2.02 115.11 117.65 1a8l h GLN 46 Ca 0.11 -0.44 -0.14 0.00 0.09 0.00 0.00 58.65 58.28 1a8l h GLN 46 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 1a8l h GLN 46 CO 0.02 1.11 -0.40 0.93 0.09 0.00 0.00 178.83 180.58 1a8l h GLU 47 N 0.84 0.61 -0.37 0.06 5.08 -0.94 -3.08 114.58 116.78 1a8l h GLU 47 Ca 0.10 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.03 1a8l h GLU 47 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1a8l h GLU 47 CO 0.07 0.90 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.64 1a8l h LEU 48 N 0.50 0.79 -0.50 1.33 3.38 -1.13 -2.83 115.31 116.86 1a8l h LEU 48 Ca 0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1a8l h LEU 48 Cb 0.91 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1a8l h LEU 48 CO 0.08 1.02 0.00 -1.54 0.09 0.00 0.00 178.44 178.09 1a8l n SER 49 N -4.09 0.41 0.05 -0.43 3.41 -0.77 -2.10 113.62 110.10 1a8l n SER 49 Ca -0.01 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 1a8l n SER 49 Cb 0.46 -0.69 0.36 0.00 -0.26 0.00 0.00 64.21 64.08 1a8l n SER 49 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a8l n GLU 50 N -1.97 0.17 0.00 4.33 1.02 -1.07 -3.82 120.64 119.30 1a8l n GLU 50 Ca 0.02 0.09 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 1a8l n GLU 50 Cb 0.18 -1.65 0.46 0.00 -0.02 0.00 0.00 31.44 30.42 1a8l n GLU 50 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1a8l n LEU 51 N -1.92 0.68 -3.50 -4.62 4.77 -0.89 -4.92 117.00 106.59 1a8l n LEU 51 Ca 0.05 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 1a8l n LEU 51 Cb 0.40 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1a8l n LEU 51 CO 0.32 0.13 0.48 0.28 -1.33 0.00 0.00 177.39 177.28 1a8l s THR 52 N -2.59 0.00 -2.19 -5.08 -1.32 -1.25 -4.92 115.64 98.30 1a8l s THR 52 Ca 0.24 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.91 1a8l s THR 52 Cb 0.19 -1.00 0.45 0.00 -1.51 0.00 0.00 72.50 70.63 1a8l s THR 52 CO 0.53 0.00 1.55 -0.90 -2.21 0.00 0.00 174.62 173.59 1a8l n ASP 53 N 0.50 1.26 -0.99 8.08 5.75 -1.26 -3.54 116.55 126.34 1a8l n ASP 53 Ca -0.17 -1.67 0.10 0.00 -0.01 0.00 0.00 54.79 53.04 1a8l n ASP 53 Cb 0.59 -0.09 0.18 0.00 -1.03 0.00 0.00 41.12 40.78 1a8l n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1a8l n LYS 54 N 0.06 2.30 -4.60 0.11 5.02 -1.26 -4.91 118.16 114.88 1a8l n LYS 54 Ca 0.15 -2.11 -0.27 0.00 -2.02 0.00 0.00 58.31 54.06 1a8l n LYS 54 Cb 0.26 -1.44 -0.17 0.00 -0.02 0.00 0.00 35.03 33.66 1a8l n LYS 54 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1a8l s LEU 55 N -1.33 1.70 0.26 -0.35 2.96 -1.23 -0.64 118.68 120.04 1a8l s LEU 55 Ca 0.33 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1a8l s LEU 55 Cb 0.19 -0.98 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 1a8l s LEU 55 CO 0.27 0.04 0.11 -0.94 -1.32 0.00 0.00 176.35 174.51 1a8l s SER 56 N 0.76 1.07 0.20 3.68 1.04 -0.51 -4.67 113.70 115.27 1a8l s SER 56 Ca -0.12 -1.42 -0.08 0.00 0.48 0.00 0.00 55.95 54.81 1a8l s SER 56 Cb -0.16 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1a8l s SER 56 CO 0.02 -0.78 0.31 -0.72 0.98 0.00 0.00 173.24 173.06 1a8l s TYR 57 N -3.80 0.57 -0.16 5.02 1.13 -1.26 -0.29 117.35 118.56 1a8l s TYR 57 Ca 0.38 -0.90 -0.06 0.00 -1.41 0.00 0.00 57.07 55.08 1a8l s TYR 57 Cb 0.07 -0.09 0.07 0.00 -1.10 0.00 0.00 41.96 40.91 1a8l s TYR 57 CO 0.14 -0.79 0.34 -2.00 -2.51 0.00 0.00 175.55 170.72 1a8l s GLU 58 N -4.03 0.24 -0.19 -3.49 2.12 -0.33 -4.89 118.70 108.13 1a8l s GLU 58 Ca 0.24 0.87 -0.18 0.00 0.36 0.00 0.00 54.97 56.26 1a8l s GLU 58 Cb 0.03 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 1a8l s GLU 58 CO 0.06 -0.26 0.48 0.42 -0.54 0.00 0.00 175.26 175.42 1a8l s ILE 59 N 2.41 5.14 -0.09 -3.70 -1.09 -1.26 -0.98 121.20 121.62 1a8l s ILE 59 Ca -0.01 0.89 0.04 0.00 -2.23 0.00 0.00 60.65 59.34 1a8l s ILE 59 Cb -0.12 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1a8l s ILE 59 CO -0.11 0.21 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.90 1a8l s VAL 60 N 1.43 2.23 -0.59 2.92 1.01 0.20 -4.97 120.40 122.64 1a8l s VAL 60 Ca 0.23 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1a8l s VAL 60 Cb -0.15 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.42 1a8l s VAL 60 CO 0.09 0.56 1.01 -0.62 0.00 0.00 0.00 175.10 176.14 1a8l s ASP 61 N 0.17 6.31 0.57 3.32 -1.08 -1.26 -0.84 116.67 123.86 1a8l s ASP 61 Ca -0.13 -0.41 0.27 0.00 -0.52 0.00 0.00 52.55 51.76 1a8l s ASP 61 Cb -0.16 -2.46 1.65 0.00 -1.46 0.00 0.00 42.92 40.48 1a8l s ASP 61 CO 0.07 -1.35 2.18 0.15 0.52 0.00 0.00 175.17 176.74 1a8l h PHE 62 N 9.45 0.00 -0.01 -5.34 3.57 -1.11 -2.33 116.94 121.18 1a8l h PHE 62 Ca -0.27 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.14 1a8l h PHE 62 Cb 1.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1a8l h PHE 62 CO 0.96 0.00 -0.44 -0.44 -2.23 0.00 0.00 178.31 176.16 1a8l h ASP 63 N 0.00 0.01 -4.23 0.41 3.32 -1.91 -3.34 116.42 110.68 1a8l h ASP 63 Ca 0.04 -0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.59 1a8l h ASP 63 Cb 0.20 -0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.79 1a8l h ASP 63 CO -0.00 0.45 0.38 0.42 -1.72 0.00 0.00 179.24 178.77 1a8l s THR 64 N -4.04 4.23 0.44 0.35 -4.23 -0.88 -4.91 115.64 106.60 1a8l s THR 64 Ca -0.02 0.97 0.17 0.00 -1.18 0.00 0.00 61.69 61.63 1a8l s THR 64 Cb 0.14 -3.58 0.20 0.00 1.34 0.00 0.00 72.50 70.61 1a8l s THR 64 CO 0.74 -0.70 2.01 1.55 -0.54 0.00 0.00 174.62 177.67 1a8l h PRO 65 N 0.38 0.00 -0.14 3.99 0.13 -1.87 -0.97 132.00 133.52 1a8l h PRO 65 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 1a8l h PRO 65 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1a8l h PRO 65 CO 0.59 0.17 -0.27 1.49 -0.23 0.00 0.00 178.00 179.75 1a8l h GLU 66 N 0.00 0.43 -0.56 0.86 4.81 -1.92 -2.64 114.58 115.56 1a8l h GLU 66 Ca -0.00 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1a8l h GLU 66 Cb 0.33 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1a8l h GLU 66 CO 0.02 0.88 0.13 0.78 -0.73 0.00 0.00 179.01 180.09 1a8l h GLY 67 N 0.04 0.93 1.62 1.92 0.00 -1.48 -2.06 103.07 104.03 1a8l h GLY 67 Ca 0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1a8l h GLY 67 CO 0.06 0.51 -0.07 0.50 0.00 0.00 0.00 176.54 177.54 1a8l h LYS 68 N 0.83 0.47 -0.30 4.80 1.57 -1.18 0.87 116.57 123.64 1a8l h LYS 68 Ca 0.18 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 1a8l h LYS 68 Cb 0.31 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1a8l h LYS 68 CO -0.00 0.56 -0.49 1.49 -0.57 0.00 0.00 179.45 180.43 1a8l h GLU 69 N 0.45 0.84 -0.24 3.15 4.81 -1.05 -1.97 114.58 120.56 1a8l h GLU 69 Ca 0.09 -0.50 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 1a8l h GLU 69 Cb 0.41 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1a8l h GLU 69 CO 0.02 1.13 -0.16 1.25 -0.73 0.00 0.00 179.01 180.52 1a8l h LEU 70 N 0.66 0.56 -0.31 1.64 5.85 -1.01 -2.52 115.31 120.19 1a8l h LEU 70 Ca 0.03 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1a8l h LEU 70 Cb 1.08 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1a8l h LEU 70 CO 0.11 0.87 0.11 0.00 -0.34 0.00 0.00 178.44 179.19 1a8l h ALA 71 N 0.70 0.35 -0.87 1.25 0.00 -0.81 -0.37 119.26 119.51 1a8l h ALA 71 Ca 0.05 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1a8l h ALA 71 Cb 0.68 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1a8l h ALA 71 CO 0.04 -0.29 0.53 -0.22 0.00 0.00 0.00 179.25 179.31 1a8l h LYS 72 N 0.24 0.91 -0.17 0.00 3.64 -1.32 0.21 116.57 120.07 1a8l h LYS 72 Ca 0.14 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1a8l h LYS 72 Cb 0.10 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1a8l h LYS 72 CO -0.14 0.60 -0.18 -0.09 -2.27 0.00 0.00 179.45 177.37 1a8l h ARG 73 N 0.94 0.30 -0.65 1.90 9.65 -0.85 -2.32 114.38 123.35 1a8l h ARG 73 Ca 0.39 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1a8l h ARG 73 Cb 0.24 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1a8l h ARG 73 CO -0.20 0.48 0.00 0.66 2.80 0.00 0.00 179.97 183.71 1a8l n TYR 74 N -4.21 1.48 -3.84 2.20 4.01 -0.13 -4.94 117.16 111.73 1a8l n TYR 74 Ca -0.01 -0.58 -0.28 0.00 -0.16 0.00 0.00 57.90 56.87 1a8l n TYR 74 Cb 0.32 -0.26 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 1a8l n TYR 74 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a8l n ARG 75 N 1.05 -5.86 -3.95 -0.72 1.74 0.43 -4.97 116.66 104.39 1a8l n ARG 75 Ca 0.25 0.64 -0.35 0.00 -0.77 0.00 0.00 57.85 57.62 1a8l n ARG 75 Cb 0.88 -5.52 -0.11 0.00 -1.02 0.00 0.00 32.46 26.69 1a8l n ARG 75 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a8l s ILE 76 N -3.34 4.64 -0.86 0.55 -1.09 0.43 -4.98 121.20 116.54 1a8l s ILE 76 Ca 0.58 -0.08 0.09 0.00 -2.23 0.00 0.00 60.65 59.02 1a8l s ILE 76 Cb -0.29 -3.11 -0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1a8l s ILE 76 CO 0.81 0.42 0.61 -0.90 -1.23 0.00 0.00 174.94 174.65 1a8l n ASP 77 N 3.98 1.17 -3.94 3.58 5.75 -1.26 -4.27 116.55 121.56 1a8l n ASP 77 Ca -0.16 -1.08 -0.09 0.00 -0.01 0.00 0.00 54.79 53.44 1a8l n ASP 77 Cb 0.52 0.47 -0.07 0.00 -1.03 0.00 0.00 41.12 41.01 1a8l n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1a8l s ARG 78 N -1.31 1.03 0.01 0.11 0.52 -1.26 -5.17 118.95 112.88 1a8l s ARG 78 Ca 0.08 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 1a8l s ARG 78 Cb 0.08 0.35 -0.01 0.00 0.52 0.00 0.00 34.95 35.89 1a8l s ARG 78 CO 0.24 -0.36 -0.04 0.00 0.02 0.00 0.00 175.30 175.16 1a8l s ALA 79 N -3.94 0.32 0.27 2.13 0.00 -1.26 -4.26 121.76 115.03 1a8l s ALA 79 Ca 0.13 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 1a8l s ALA 79 Cb 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.06 1a8l s ALA 79 CO -0.04 0.01 1.21 -1.25 0.00 0.00 0.00 175.76 175.70 1a8l s PRO 80 N -0.63 4.49 -0.03 0.00 0.04 -1.26 -4.91 135.00 132.70 1a8l s PRO 80 Ca -0.04 1.99 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1a8l s PRO 80 Cb -0.05 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1a8l s PRO 80 CO -0.00 -0.03 0.36 0.00 0.04 0.00 0.00 177.00 177.37 1a8l s ALA 81 N -0.83 -0.92 -0.05 8.56 0.00 -0.91 -2.57 121.76 125.04 1a8l s ALA 81 Ca 0.49 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1a8l s ALA 81 Cb -0.35 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1a8l s ALA 81 CO 0.44 -0.26 -0.03 0.99 0.00 0.00 0.00 175.76 176.90 1a8l s THR 82 N -1.12 0.48 -0.09 0.00 2.01 -0.12 -0.28 115.64 116.51 1a8l s THR 82 Ca -0.12 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1a8l s THR 82 Cb -0.04 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1a8l s THR 82 CO 0.04 0.23 -0.16 0.28 -0.69 0.00 0.00 174.62 174.32 1a8l s THR 83 N 1.17 2.86 -0.45 -0.82 -1.32 -0.60 -1.15 115.64 115.33 1a8l s THR 83 Ca -0.07 -0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 59.48 1a8l s THR 83 Cb -0.14 -2.15 0.04 0.00 -1.51 0.00 0.00 72.50 68.74 1a8l s THR 83 CO -0.01 0.55 0.45 -0.63 -2.21 0.00 0.00 174.62 172.77 1a8l s ILE 84 N -0.06 5.10 0.27 5.08 1.01 -0.18 -2.07 121.20 130.36 1a8l s ILE 84 Ca -0.03 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1a8l s ILE 84 Cb -0.14 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1a8l s ILE 84 CO 0.04 -0.53 0.09 0.42 0.00 0.00 0.00 174.94 174.96 1a8l s THR 85 N 2.06 3.76 -0.62 2.92 -4.23 -0.78 -4.34 115.64 114.42 1a8l s THR 85 Ca 0.10 -1.70 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 1a8l s THR 85 Cb -0.19 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.73 1a8l s THR 85 CO 0.11 -0.34 0.58 -1.58 -0.54 0.00 0.00 174.62 172.85 1a8l s GLN 86 N -3.76 3.15 -1.48 3.99 0.74 -0.91 -1.04 119.66 120.35 1a8l s GLN 86 Ca 0.33 -1.87 -0.12 0.00 0.05 0.00 0.00 55.36 53.74 1a8l s GLN 86 Cb -0.07 -4.33 0.06 0.00 1.10 0.00 0.00 33.01 29.77 1a8l s GLN 86 CO 0.22 -1.34 1.06 -3.47 -0.55 0.00 0.00 175.29 171.21 1a8l n ASP 87 N 5.02 -5.35 0.00 6.67 2.03 -0.65 -1.44 116.55 122.82 1a8l n ASP 87 Ca -0.07 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1a8l n ASP 87 Cb 0.42 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 1a8l n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a8l n GLY 88 N -1.80 1.65 3.69 0.27 0.00 -1.26 -4.99 105.19 102.75 1a8l n GLY 88 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1a8l n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a8l s LYS 89 N -0.62 4.40 0.04 1.61 2.20 -0.52 -4.98 119.74 121.87 1a8l s LYS 89 Ca 0.00 1.51 -0.30 0.00 -0.36 0.00 0.00 55.97 56.82 1a8l s LYS 89 Cb 0.00 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 1a8l s LYS 89 CO 0.00 -0.36 1.53 0.34 -0.36 0.00 0.00 175.35 176.50 1a8l s ASP 90 N 1.24 6.72 0.00 1.43 -1.08 -1.26 -2.14 116.67 121.58 1a8l s ASP 90 Ca 0.52 2.31 0.07 0.00 -0.52 0.00 0.00 52.55 54.92 1a8l s ASP 90 Cb -0.21 -2.56 0.14 0.00 -1.46 0.00 0.00 42.92 38.82 1a8l s ASP 90 CO 0.20 -0.80 0.99 0.49 0.52 0.00 0.00 175.17 176.56 1a8l n PHE 91 N 5.43 0.17 -1.48 -5.34 3.01 -1.26 -4.99 117.46 113.00 1a8l n PHE 91 Ca 0.14 -0.31 -0.09 0.00 1.01 0.00 0.00 57.45 58.20 1a8l n PHE 91 Cb 0.42 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 1a8l n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1a8l n GLY 92 N 0.22 0.84 3.17 1.37 0.00 -1.26 -3.80 105.19 105.73 1a8l n GLY 92 Ca 0.06 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1a8l n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a8l s VAL 93 N -2.38 3.91 0.15 1.61 1.01 -1.26 -0.61 120.40 122.82 1a8l s VAL 93 Ca 0.00 -2.08 0.08 0.00 0.00 0.00 0.00 61.98 59.98 1a8l s VAL 93 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1a8l s VAL 93 CO 0.00 -0.78 -0.18 -0.13 0.00 0.00 0.00 175.10 174.01 1a8l s ARG 94 N 1.02 1.21 -0.10 2.72 3.00 -0.91 -1.01 118.95 124.88 1a8l s ARG 94 Ca 0.09 -1.34 0.01 0.00 0.00 0.00 0.00 55.73 54.49 1a8l s ARG 94 Cb -0.23 -1.28 0.02 0.00 0.00 0.00 0.00 34.95 33.45 1a8l s ARG 94 CO -0.03 0.27 -0.10 0.71 0.00 0.00 0.00 175.30 176.15 1a8l s TYR 95 N -1.90 1.58 -0.46 -0.53 1.51 -0.30 -1.63 117.35 115.63 1a8l s TYR 95 Ca 0.13 -0.73 -0.10 0.00 -1.01 0.00 0.00 57.07 55.36 1a8l s TYR 95 Cb -0.06 -1.23 0.10 0.00 -0.11 0.00 0.00 41.96 40.66 1a8l s TYR 95 CO 0.06 -0.45 0.33 -0.06 -1.11 0.00 0.00 175.55 174.32 1a8l s PHE 96 N 1.27 3.38 0.00 2.71 0.40 0.20 -0.94 117.98 125.00 1a8l s PHE 96 Ca -0.03 -1.68 0.00 0.00 -0.60 0.00 0.00 56.93 54.62 1a8l s PHE 96 Cb -0.14 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.08 1a8l s PHE 96 CO -0.04 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.36 1a8l n GLY 97 N 4.94 -0.24 3.70 4.36 0.00 -1.06 -1.01 105.19 115.88 1a8l n GLY 97 Ca -0.09 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 1a8l n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a8l s LEU 98 N 0.00 4.28 -1.45 0.99 2.96 -1.26 -4.87 118.68 119.32 1a8l s LEU 98 Ca 0.00 1.28 -0.13 0.00 -0.22 0.00 0.00 54.13 55.07 1a8l s LEU 98 Cb 0.00 -3.24 0.04 0.00 0.50 0.00 0.00 46.19 43.49 1a8l s LEU 98 CO 0.00 -0.25 2.27 -0.81 -1.32 0.00 0.00 176.35 176.24 1a8l n PRO 99 N 4.33 3.10 -2.53 0.98 -0.04 -1.26 -4.93 135.00 134.65 1a8l n PRO 99 Ca 0.02 -2.70 -0.23 0.00 -0.04 0.00 0.00 63.50 60.55 1a8l n PRO 99 Cb 0.50 -3.16 0.06 0.00 -0.04 0.00 0.00 33.50 30.86 1a8l n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a8l s ALA 100 N 2.58 3.69 0.00 0.55 0.00 -1.26 -2.65 121.76 124.66 1a8l s ALA 100 Ca 0.49 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1a8l s ALA 100 Cb 0.14 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1a8l s ALA 100 CO -0.07 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.07 1a8l n GLY 101 N -2.58 0.54 0.00 0.00 0.00 -1.26 -2.28 105.19 99.61 1a8l n GLY 101 Ca 0.10 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.41 1a8l n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a8l n HIS 102 N 0.00 0.00 0.35 1.61 8.25 -1.26 -1.73 115.22 122.44 1a8l n HIS 102 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1a8l n HIS 102 Cb 0.00 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.62 1a8l n HIS 102 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1a8l h GLU 103 N 0.00 0.00 -0.42 -0.41 4.39 -1.70 -3.02 114.58 113.42 1a8l h GLU 103 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1a8l h GLU 103 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1a8l h GLU 103 CO 0.00 0.00 0.19 0.35 -1.16 0.00 0.00 179.01 178.39 1a8l h PHE 104 N 0.00 0.61 -0.54 4.33 3.57 -1.10 -0.05 116.94 123.77 1a8l h PHE 104 Ca 0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1a8l h PHE 104 Cb 0.56 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1a8l h PHE 104 CO 0.00 0.51 0.05 0.00 -2.23 0.00 0.00 178.31 176.64 1a8l h ALA 105 N 1.04 1.07 -0.69 2.41 0.00 -1.76 -1.81 119.26 119.51 1a8l h ALA 105 Ca 0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1a8l h ALA 105 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1a8l h ALA 105 CO -0.02 0.59 0.20 0.00 0.00 0.00 0.00 179.25 180.03 1a8l h ALA 106 N 1.22 1.05 -0.21 0.00 0.00 -1.48 -0.25 119.26 119.60 1a8l h ALA 106 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a8l h ALA 106 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a8l h ALA 106 CO 0.01 0.64 0.13 0.35 0.00 0.00 0.00 179.25 180.38 1a8l h PHE 107 N 1.03 0.24 -0.65 0.00 3.57 -0.50 -0.10 116.94 120.53 1a8l h PHE 107 Ca 0.22 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 1a8l h PHE 107 Cb 0.31 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1a8l h PHE 107 CO 0.02 0.15 0.16 -0.07 -2.23 0.00 0.00 178.31 176.35 1a8l h LEU 108 N 0.27 0.97 -0.96 0.59 3.38 -1.11 -1.97 115.31 116.48 1a8l h LEU 108 Ca 0.08 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1a8l h LEU 108 Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1a8l h LEU 108 CO -0.03 0.95 -0.02 -0.33 0.09 0.00 0.00 178.44 179.10 1a8l h GLU 109 N 0.95 0.73 -0.61 1.13 5.08 -0.78 -2.15 114.58 118.93 1a8l h GLU 109 Ca 0.20 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1a8l h GLU 109 Cb 0.35 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1a8l h GLU 109 CO 0.00 0.76 0.08 -0.44 -1.00 0.00 0.00 179.01 178.42 1a8l h ASP 110 N 0.68 0.96 -0.47 1.42 3.32 -0.73 -1.33 116.42 120.27 1a8l h ASP 110 Ca 0.13 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1a8l h ASP 110 Cb 0.46 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1a8l h ASP 110 CO 0.02 0.97 0.25 0.40 -1.72 0.00 0.00 179.24 179.16 1a8l h ILE 111 N 0.94 1.17 -0.43 0.35 2.04 -0.96 -1.43 117.51 119.19 1a8l h ILE 111 Ca 0.19 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1a8l h ILE 111 Cb 0.43 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1a8l h ILE 111 CO 0.01 0.18 0.16 0.58 0.00 0.00 0.00 178.15 179.09 1a8l h VAL 112 N 0.62 1.21 -0.25 1.67 2.07 -1.02 -1.52 116.25 119.04 1a8l h VAL 112 Ca 0.17 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1a8l h VAL 112 Cb 0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1a8l h VAL 112 CO -0.03 0.24 -0.23 0.44 0.02 0.00 0.00 177.57 178.01 1a8l h ASP 113 N 0.55 0.46 -0.35 0.57 3.32 -1.08 0.80 116.42 120.70 1a8l h ASP 113 Ca 0.14 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1a8l h ASP 113 Cb 0.21 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1a8l h ASP 113 CO -0.01 0.70 -0.27 0.58 -1.72 0.00 0.00 179.24 178.52 1a8l h VAL 114 N 0.42 1.29 -0.65 -1.35 2.07 -1.17 0.48 116.25 117.33 1a8l h VAL 114 Ca 0.06 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.18 1a8l h VAL 114 Cb 0.64 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1a8l h VAL 114 CO 0.05 0.47 0.41 -1.28 0.02 0.00 0.00 177.57 177.23 1a8l h SER 115 N 0.59 0.67 1.09 0.57 0.87 -0.78 -1.82 113.55 114.74 1a8l h SER 115 Ca 0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1a8l h SER 115 Cb 0.84 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1a8l h SER 115 CO 0.07 0.47 -0.16 0.54 -0.53 0.00 0.00 176.83 177.22 1a8l n ARG 116 N -4.69 0.15 -3.86 2.24 1.74 0.23 -2.31 116.66 110.16 1a8l n ARG 116 Ca 0.06 0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.96 1a8l n ARG 116 Cb 0.07 -1.64 0.02 0.00 -1.02 0.00 0.00 32.46 29.89 1a8l n ARG 116 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1a8l n GLU 117 N -1.89 -5.13 -3.69 5.56 2.13 0.16 -4.95 120.64 112.83 1a8l n GLU 117 Ca 0.06 0.58 -0.07 0.00 0.66 0.00 0.00 57.16 58.39 1a8l n GLU 117 Cb 0.39 -5.32 -0.02 0.00 0.27 0.00 0.00 31.44 26.76 1a8l n GLU 117 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1a8l s GLU 118 N -6.44 1.38 0.31 5.31 2.56 -0.98 -4.98 118.70 115.86 1a8l s GLU 118 Ca 0.43 -0.69 0.05 0.00 0.00 0.00 0.00 54.97 54.75 1a8l s GLU 118 Cb -0.21 0.51 -0.03 0.00 2.00 0.00 0.00 34.13 36.40 1a8l s GLU 118 CO 0.83 -0.62 0.21 0.95 -0.56 0.00 0.00 175.26 176.07 1a8l s THR 119 N -3.59 0.13 -0.24 -1.70 -4.23 -1.26 -4.67 115.64 100.08 1a8l s THR 119 Ca 0.09 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.74 1a8l s THR 119 Cb -0.03 -2.49 0.79 0.00 1.34 0.00 0.00 72.50 72.12 1a8l s THR 119 CO -0.01 0.00 1.72 -0.46 -0.54 0.00 0.00 174.62 175.34 1a8l n ASN 120 N -1.16 5.54 -4.72 3.99 6.94 -1.26 -5.00 115.26 119.59 1a8l n ASN 120 Ca 0.04 -2.96 -0.38 0.00 -0.02 0.00 0.00 54.58 51.26 1a8l n ASN 120 Cb 0.64 -0.67 0.05 0.00 -2.36 0.00 0.00 39.78 37.44 1a8l n ASN 120 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1a8l n LEU 121 N 0.47 5.38 -4.73 -4.53 4.77 -1.26 -4.95 117.00 112.16 1a8l n LEU 121 Ca 0.28 0.91 -0.34 0.00 -0.03 0.00 0.00 56.01 56.82 1a8l n LEU 121 Cb 1.18 -1.54 0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1a8l n LEU 121 CO 0.31 -0.91 0.79 -0.04 -1.33 0.00 0.00 177.39 176.21 1a8l s MET 122 N -3.01 2.25 0.16 3.23 -1.94 -1.26 -4.75 119.30 113.98 1a8l s MET 122 Ca 0.76 1.70 -0.17 0.00 -1.71 0.00 0.00 55.69 56.27 1a8l s MET 122 Cb -0.41 -1.85 0.08 0.00 2.01 0.00 0.00 34.83 34.66 1a8l s MET 122 CO 0.46 -1.74 1.69 -0.44 -0.01 0.00 0.00 175.02 174.98 1a8l h ASP 123 N -0.23 -0.24 -1.00 3.03 3.32 -1.99 -0.38 116.42 118.93 1a8l h ASP 123 Ca -0.48 0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.68 1a8l h ASP 123 Cb 1.29 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.97 1a8l h ASP 123 CO 0.50 -0.08 0.66 -0.33 -1.72 0.00 0.00 179.24 178.28 1a8l h GLU 124 N 0.05 1.31 -0.21 3.56 5.08 -2.00 -1.30 114.58 121.07 1a8l h GLU 124 Ca 0.18 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1a8l h GLU 124 Cb 0.26 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1a8l h GLU 124 CO -0.33 0.87 0.03 1.15 -1.00 0.00 0.00 179.01 179.72 1a8l h THR 125 N 1.35 1.23 -0.64 1.13 2.02 -1.74 -2.62 112.91 113.65 1a8l h THR 125 Ca 0.37 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.84 1a8l h THR 125 Cb -0.14 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.55 1a8l h THR 125 CO -0.08 0.24 0.34 0.11 0.37 0.00 0.00 175.52 176.50 1a8l h LYS 126 N 0.14 0.61 -0.29 6.66 1.57 -0.66 -0.14 116.57 124.46 1a8l h LYS 126 Ca 0.06 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1a8l h LYS 126 Cb 0.33 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1a8l h LYS 126 CO 0.01 0.40 0.10 0.37 -0.57 0.00 0.00 179.45 179.76 1a8l h GLN 127 N 0.63 0.22 -0.28 3.15 4.15 -1.15 -0.81 115.11 121.02 1a8l h GLN 127 Ca 0.29 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 1a8l h GLN 127 Cb 0.21 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1a8l h GLN 127 CO -0.20 0.15 -0.04 0.00 -1.93 0.00 0.00 178.83 176.81 1a8l h ALA 128 N 1.19 0.38 -0.64 3.38 0.00 -1.05 -3.13 119.26 119.38 1a8l h ALA 128 Ca 0.13 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1a8l h ALA 128 Cb 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1a8l h ALA 128 CO -0.14 0.17 0.15 0.82 0.00 0.00 0.00 179.25 180.25 1a8l h ILE 129 N 0.29 1.25 0.00 0.00 1.08 -0.89 -2.44 117.51 116.81 1a8l h ILE 129 Ca 0.07 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1a8l h ILE 129 Cb 0.50 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1a8l h ILE 129 CO 0.02 0.35 0.00 0.54 -0.69 0.00 0.00 178.15 178.37 1a8l n ARG 130 N -4.25 0.00 0.01 2.37 1.74 -0.32 -2.73 116.66 113.48 1a8l n ARG 130 Ca 0.05 0.24 0.11 0.00 -0.77 0.00 0.00 57.85 57.47 1a8l n ARG 130 Cb 0.25 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 1a8l n ARG 130 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1a8l n ASN 131 N -1.50 0.67 -4.67 0.55 5.03 -0.92 -4.89 115.26 109.53 1a8l n ASN 131 Ca 0.04 -0.51 -0.42 0.00 0.87 0.00 0.00 54.58 54.55 1a8l n ASN 131 Cb 0.18 1.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.91 1a8l n ASN 131 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a8l s ILE 132 N -3.14 3.30 -0.58 2.41 1.01 -1.10 -4.88 121.20 118.22 1a8l s ILE 132 Ca 0.04 0.56 0.05 0.00 0.00 0.00 0.00 60.65 61.31 1a8l s ILE 132 Cb 0.15 -3.36 0.10 0.00 0.01 0.00 0.00 42.46 39.36 1a8l s ILE 132 CO 0.84 -0.03 0.92 -0.67 0.00 0.00 0.00 174.94 176.00 1a8l n ASP 133 N 6.42 2.00 -4.90 3.58 -0.08 -1.26 -4.82 116.55 117.48 1a8l n ASP 133 Ca 0.17 -1.64 -0.27 0.00 -1.51 0.00 0.00 54.79 51.54 1a8l n ASP 133 Cb 0.42 -0.06 -0.04 0.00 2.34 0.00 0.00 41.12 43.78 1a8l n ASP 133 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1a8l s GLN 134 N -0.75 3.30 -0.19 -0.67 -0.21 -1.26 -5.03 119.66 114.85 1a8l s GLN 134 Ca 0.09 -0.64 -0.29 0.00 0.02 0.00 0.00 55.36 54.54 1a8l s GLN 134 Cb 0.05 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.14 1a8l s GLN 134 CO 0.07 0.53 1.48 -0.51 -2.12 0.00 0.00 175.29 174.74 1a8l s ASP 135 N -3.08 6.63 -0.05 5.90 1.01 -1.26 -4.67 116.67 121.15 1a8l s ASP 135 Ca 0.34 1.68 0.04 0.00 0.71 0.00 0.00 52.55 55.32 1a8l s ASP 135 Cb -0.11 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.28 1a8l s ASP 135 CO 0.27 -1.04 -0.18 -0.69 0.21 0.00 0.00 175.17 173.74 1a8l s VAL 136 N 4.41 1.53 -0.14 -1.27 1.01 -0.27 -1.16 120.40 124.50 1a8l s VAL 136 Ca 0.65 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1a8l s VAL 136 Cb -0.24 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1a8l s VAL 136 CO 0.24 0.44 -0.16 -0.60 0.00 0.00 0.00 175.10 175.02 1a8l s ARG 137 N 0.11 2.43 -0.29 2.72 3.52 -0.19 -0.55 118.95 126.70 1a8l s ARG 137 Ca -0.06 -0.62 -0.07 0.00 -0.13 0.00 0.00 55.73 54.85 1a8l s ARG 137 Cb -0.13 -2.14 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1a8l s ARG 137 CO 0.03 -0.17 0.08 0.42 -0.81 0.00 0.00 175.30 174.85 1a8l s ILE 138 N 1.27 4.02 -0.22 4.11 1.01 0.85 -0.84 121.20 131.40 1a8l s ILE 138 Ca 0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1a8l s ILE 138 Cb -0.14 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1a8l s ILE 138 CO -0.08 0.13 0.16 -0.76 0.00 0.00 0.00 174.94 174.39 1a8l s LEU 139 N 1.52 4.15 -0.37 2.97 1.43 0.17 -0.44 118.68 128.11 1a8l s LEU 139 Ca 0.03 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1a8l s LEU 139 Cb -0.17 -2.12 0.10 0.00 0.03 0.00 0.00 46.19 44.04 1a8l s LEU 139 CO 0.03 0.10 0.09 -0.69 0.23 0.00 0.00 176.35 176.10 1a8l s VAL 140 N 0.82 2.41 -0.02 -1.59 1.01 0.75 -1.41 120.40 122.38 1a8l s VAL 140 Ca 0.08 -2.42 -0.30 0.00 0.00 0.00 0.00 61.98 59.34 1a8l s VAL 140 Cb -0.13 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1a8l s VAL 140 CO 0.02 -0.63 1.01 -0.36 0.00 0.00 0.00 175.10 175.15 1a8l s PHE 141 N 0.80 3.59 0.24 5.22 0.08 -0.47 -0.59 117.98 126.86 1a8l s PHE 141 Ca 0.11 1.62 0.01 0.00 0.12 0.00 0.00 56.93 58.80 1a8l s PHE 141 Cb -0.20 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 1a8l s PHE 141 CO -0.07 -0.21 0.14 0.14 -0.10 0.00 0.00 175.22 175.12 1a8l s VAL 142 N 1.30 0.19 0.12 -0.44 -7.23 -0.16 -2.07 120.40 112.11 1a8l s VAL 142 Ca 0.52 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1a8l s VAL 142 Cb -0.21 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1a8l s VAL 142 CO 0.25 0.00 -0.11 0.42 -0.31 0.00 0.00 175.10 175.35 1a8l s THR 143 N -3.91 1.13 0.29 5.32 -4.23 -1.26 -1.20 115.64 111.77 1a8l s THR 143 Ca 0.38 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1a8l s THR 143 Cb 0.06 -1.55 0.29 0.00 1.34 0.00 0.00 72.50 72.64 1a8l s THR 143 CO 0.15 -0.57 1.81 -0.65 -0.54 0.00 0.00 174.62 174.82 1a8l h PRO 144 N 3.33 0.86 -4.06 3.99 0.11 -1.96 -3.32 132.00 130.95 1a8l h PRO 144 Ca -0.38 -0.05 -0.76 0.00 0.11 0.00 0.00 66.00 64.92 1a8l h PRO 144 Cb 1.19 -0.19 -0.26 0.00 0.11 0.00 0.00 31.00 31.85 1a8l h PRO 144 CO 0.55 0.57 -0.19 0.99 -0.21 0.00 0.00 178.00 179.71 1a8l s THR 145 N -5.92 5.09 -0.33 -1.15 2.01 -1.26 -4.27 115.64 109.81 1a8l s THR 145 Ca -0.12 -1.77 -0.02 0.00 0.31 0.00 0.00 61.69 60.09 1a8l s THR 145 Cb 0.23 -4.25 0.19 0.00 0.01 0.00 0.00 72.50 68.68 1a8l s THR 145 CO 0.80 -0.89 0.84 0.00 -0.69 0.00 0.00 174.62 174.69 1a8l h PRO 147 N 6.82 0.61 -0.02 0.00 0.13 -1.93 -2.79 132.00 134.82 1a8l h PRO 147 Ca -0.02 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1a8l h PRO 147 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1a8l h PRO 147 CO 0.01 0.40 -0.21 0.66 -0.23 0.00 0.00 178.00 178.63 1a8l n TYR 148 N -4.81 0.00 -0.24 1.56 4.01 -1.26 -4.48 117.16 111.94 1a8l n TYR 148 Ca 0.25 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.95 1a8l n TYR 148 Cb 0.70 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.78 1a8l n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8l h PRO 150 N 0.88 0.68 -0.50 0.00 0.11 -1.78 -1.70 132.00 129.69 1a8l h PRO 150 Ca 0.27 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.37 1a8l h PRO 150 Cb -0.03 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 30.88 1a8l h PRO 150 CO -0.09 0.45 0.27 -0.07 -0.21 0.00 0.00 178.00 178.35 1a8l h LEU 151 N 0.70 0.41 -0.59 2.35 3.38 -1.79 0.67 115.31 120.44 1a8l h LEU 151 Ca 0.38 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.24 1a8l h LEU 151 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1a8l h LEU 151 CO -0.15 0.29 -0.23 0.00 0.09 0.00 0.00 178.44 178.43 1a8l h ALA 152 N 1.25 0.78 -0.29 1.53 0.00 -1.39 -1.17 119.26 119.97 1a8l h ALA 152 Ca 0.21 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1a8l h ALA 152 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a8l h ALA 152 CO -0.13 0.65 -0.03 0.28 0.00 0.00 0.00 179.25 180.03 1a8l h VAL 153 N 0.76 1.27 -0.52 0.00 2.07 -1.07 -1.97 116.25 116.78 1a8l h VAL 153 Ca 0.10 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1a8l h VAL 153 Cb 0.78 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1a8l h VAL 153 CO 0.06 0.32 0.15 0.03 0.02 0.00 0.00 177.57 178.16 1a8l h ARG 154 N 0.31 0.78 -0.33 1.57 2.47 -0.79 -1.18 114.38 117.22 1a8l h ARG 154 Ca 0.08 -0.14 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1a8l h ARG 154 Cb 0.49 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1a8l h ARG 154 CO 0.02 0.69 0.08 1.98 0.56 0.00 0.00 179.97 183.30 1a8l h MET 155 N 0.76 0.53 -0.91 0.04 4.05 -0.98 -0.01 114.93 118.41 1a8l h MET 155 Ca 0.17 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1a8l h MET 155 Cb 0.24 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1a8l h MET 155 CO -0.01 0.59 0.55 0.00 0.23 0.00 0.00 176.91 178.27 1a8l h ALA 156 N 0.92 1.27 -0.14 0.39 0.00 -1.03 -1.70 119.26 118.96 1a8l h ALA 156 Ca 0.10 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1a8l h ALA 156 Cb 0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a8l h ALA 156 CO 0.00 0.63 -0.58 0.45 0.00 0.00 0.00 179.25 179.75 1a8l h HIS 157 N 1.25 0.59 -0.38 0.00 -0.00 -0.92 -2.40 115.15 113.29 1a8l h HIS 157 Ca 0.33 -0.22 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1a8l h HIS 157 Cb -0.06 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1a8l h HIS 157 CO 0.00 0.93 -0.17 0.87 -0.00 0.00 0.00 177.93 179.57 1a8l h LYS 158 N 0.35 0.70 -0.54 2.45 1.57 -0.65 -1.25 116.57 119.20 1a8l h LYS 158 Ca -0.00 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1a8l h LYS 158 Cb 1.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1a8l h LYS 158 CO 0.10 0.83 0.21 0.74 -0.57 0.00 0.00 179.45 180.76 1a8l h PHE 159 N 0.63 0.84 -0.54 -1.35 -1.00 -1.13 -2.10 116.94 112.28 1a8l h PHE 159 Ca 0.10 -0.07 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 1a8l h PHE 159 Cb 0.63 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1a8l h PHE 159 CO 0.03 0.69 0.19 0.00 -1.61 0.00 0.00 178.31 177.61 1a8l h ALA 160 N 1.06 0.70 -0.32 2.45 0.00 -1.05 -2.13 119.26 119.97 1a8l h ALA 160 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1a8l h ALA 160 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a8l h ALA 160 CO -0.01 0.34 0.17 0.82 0.00 0.00 0.00 179.25 180.57 1a8l h ILE 161 N 0.74 1.14 -0.55 0.00 2.04 -1.09 -1.18 117.51 118.60 1a8l h ILE 161 Ca 0.18 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1a8l h ILE 161 Cb 0.25 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1a8l h ILE 161 CO -0.01 0.14 0.20 -0.33 0.00 0.00 0.00 178.15 178.15 1a8l h GLU 162 N 0.40 0.84 -0.27 2.37 4.39 -1.29 0.37 114.58 121.39 1a8l h GLU 162 Ca 0.11 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1a8l h GLU 162 Cb 0.07 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1a8l h GLU 162 CO -0.02 0.74 -0.07 -0.97 -1.16 0.00 0.00 179.01 177.53 1a8l h ASN 163 N 0.76 0.41 -0.24 1.42 -0.73 -1.25 -0.77 115.58 115.17 1a8l h ASN 163 Ca 0.18 -0.09 -0.11 0.00 1.87 0.00 0.00 56.30 58.16 1a8l h ASN 163 Cb 0.24 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.72 1a8l h ASN 163 CO -0.01 0.53 -0.27 0.74 -0.37 0.00 0.00 177.43 178.04 1a8l h THR 164 N 0.41 1.32 -0.75 -3.57 2.02 -0.75 -1.69 112.91 109.89 1a8l h THR 164 Ca 0.08 -1.45 0.08 0.00 0.77 0.00 0.00 66.41 65.89 1a8l h THR 164 Cb 0.39 1.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.43 1a8l h THR 164 CO 0.02 0.45 0.42 0.50 0.37 0.00 0.00 175.52 177.28 1a8l h LYS 165 N 0.32 0.71 0.00 6.66 3.64 -0.39 -0.39 116.57 127.13 1a8l h LYS 165 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1a8l h LYS 165 Cb 0.84 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1a8l h LYS 165 CO 0.07 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 1a8l n ALA 166 N -2.37 1.20 -0.16 5.00 0.00 -0.34 -4.82 120.51 119.01 1a8l n ALA 166 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1a8l n ALA 166 Cb 0.23 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1a8l n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8l n GLY 167 N -1.00 0.68 0.09 0.00 0.00 -0.16 -4.97 105.19 99.84 1a8l n GLY 167 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1a8l n GLY 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a8l n LYS 168 N -2.05 0.52 -3.48 1.61 4.01 -0.98 -5.01 118.16 112.77 1a8l n LYS 168 Ca 0.00 0.49 -0.21 0.00 -0.51 0.00 0.00 58.31 58.08 1a8l n LYS 168 Cb 0.00 -1.67 0.08 0.00 -0.51 0.00 0.00 35.03 32.93 1a8l n LYS 168 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a8l n GLY 169 N 1.50 -0.41 0.52 0.72 0.00 -0.67 -4.93 105.19 101.91 1a8l n GLY 169 Ca -0.22 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1a8l n GLY 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a8l n LYS 170 N -4.54 1.58 -4.03 1.61 4.76 -1.26 -4.94 118.16 111.34 1a8l n LYS 170 Ca -0.03 -1.11 -0.35 0.00 -2.87 0.00 0.00 58.31 53.95 1a8l n LYS 170 Cb 0.57 -1.34 -0.11 0.00 -1.84 0.00 0.00 35.03 32.32 1a8l n LYS 170 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1a8l s ILE 171 N -1.89 4.58 -0.21 -0.18 1.01 -1.26 -1.11 121.20 122.14 1a8l s ILE 171 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1a8l s ILE 171 Cb 0.15 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1a8l s ILE 171 CO 0.38 0.45 -0.03 -0.76 0.00 0.00 0.00 174.94 174.97 1a8l s LEU 172 N 0.57 3.00 -0.36 2.97 1.43 0.29 -4.54 118.68 122.04 1a8l s LEU 172 Ca 0.02 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1a8l s LEU 172 Cb -0.13 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1a8l s LEU 172 CO 0.01 0.01 0.16 -0.83 0.23 0.00 0.00 176.35 175.94 1a8l s GLY 173 N 1.29 1.89 -0.29 -3.19 0.00 0.21 -0.10 107.32 107.13 1a8l s GLY 173 Ca 0.04 -1.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.00 1a8l s GLY 173 CO -0.01 0.81 0.00 0.99 0.00 0.00 0.00 173.10 174.89 1a8l s ASP 174 N 1.49 4.81 0.03 1.64 1.11 0.41 -2.15 116.67 124.02 1a8l s ASP 174 Ca 0.00 -1.13 -0.30 0.00 0.18 0.00 0.00 52.55 51.30 1a8l s ASP 174 Cb -0.19 -1.73 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 1a8l s ASP 174 CO 0.05 -0.23 1.03 -0.32 1.18 0.00 0.00 175.17 176.88 1a8l s MET 175 N 1.30 4.55 -0.18 8.23 -2.45 -0.64 -0.17 119.30 129.93 1a8l s MET 175 Ca -0.03 1.52 0.01 0.00 -1.25 0.00 0.00 55.69 55.93 1a8l s MET 175 Cb -0.19 -3.42 0.03 0.00 1.25 0.00 0.00 34.83 32.51 1a8l s MET 175 CO -0.01 -0.06 -0.13 0.08 1.05 0.00 0.00 175.02 175.95 1a8l s VAL 176 N 0.84 1.66 -0.79 10.11 1.01 0.24 0.63 120.40 134.10 1a8l s VAL 176 Ca 0.53 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1a8l s VAL 176 Cb -0.24 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.56 1a8l s VAL 176 CO 0.29 0.32 1.25 -0.70 0.00 0.00 0.00 175.10 176.26 1a8l s GLU 177 N 1.42 3.28 0.32 2.72 -6.30 -0.18 -0.99 118.70 118.97 1a8l s GLU 177 Ca 0.02 -0.59 0.10 0.00 -2.50 0.00 0.00 54.97 52.01 1a8l s GLU 177 Cb -0.15 -4.46 0.93 0.00 0.00 0.00 0.00 34.13 30.46 1a8l s GLU 177 CO -0.10 -2.09 1.71 0.00 0.02 0.00 0.00 175.26 174.80 1a8l h ALA 178 N 9.85 1.81 -0.74 6.30 0.00 -1.47 -1.49 119.26 133.52 1a8l h ALA 178 Ca -0.17 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1a8l h ALA 178 Cb 1.04 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1a8l h ALA 178 CO 1.29 -0.36 0.49 0.82 0.00 0.00 0.00 179.25 181.48 1a8l h ILE 179 N 0.49 1.04 0.00 0.00 1.08 -1.91 -2.14 117.51 116.07 1a8l h ILE 179 Ca 0.66 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.86 1a8l h ILE 179 Cb 1.34 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1a8l h ILE 179 CO -0.52 0.15 -0.41 -0.33 -0.69 0.00 0.00 178.15 176.35 1a8l h GLU 180 N 0.80 0.00 -2.14 2.37 5.08 -1.67 -3.38 114.58 115.65 1a8l h GLU 180 Ca 0.31 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.12 1a8l h GLU 180 Cb 0.22 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.06 1a8l h GLU 180 CO -0.10 0.00 -0.87 0.66 -1.00 0.00 0.00 179.01 177.69 1a8l n TYR 181 N -2.31 2.11 -0.23 4.33 4.01 -0.82 -4.96 117.16 119.29 1a8l n TYR 181 Ca 0.04 -3.90 -0.02 0.00 -0.16 0.00 0.00 57.90 53.85 1a8l n TYR 181 Cb 0.46 -0.46 0.17 0.00 -0.31 0.00 0.00 39.34 39.20 1a8l n TYR 181 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a8l h PRO 182 N 3.39 1.03 -0.73 -0.72 0.13 -1.70 -1.60 132.00 131.80 1a8l h PRO 182 Ca 0.12 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1a8l h PRO 182 Cb 0.73 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1a8l h PRO 182 CO 0.67 0.78 0.27 0.93 -0.23 0.00 0.00 178.00 180.42 1a8l h GLU 183 N 1.03 1.11 -0.25 0.86 3.07 -1.93 0.12 114.58 118.59 1a8l h GLU 183 Ca 0.25 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 1a8l h GLU 183 Cb 0.08 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.81 1a8l h GLU 183 CO -0.04 0.92 -0.08 2.35 -1.40 0.00 0.00 179.01 180.77 1a8l h TRP 184 N 1.06 0.57 -0.70 4.33 7.01 -1.90 -1.76 115.95 124.57 1a8l h TRP 184 Ca 0.24 -0.13 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 1a8l h TRP 184 Cb 0.24 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 1a8l h TRP 184 CO 0.02 0.74 0.24 0.00 -2.79 0.00 0.00 178.44 176.65 1a8l h ALA 185 N 0.75 0.92 -0.51 2.65 0.00 -1.08 -2.60 119.26 119.39 1a8l h ALA 185 Ca 0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1a8l h ALA 185 Cb 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1a8l h ALA 185 CO 0.03 0.57 0.13 -0.44 0.00 0.00 0.00 179.25 179.54 1a8l h ASP 186 N 1.02 0.71 -0.73 0.00 3.32 -0.67 -1.36 116.42 118.71 1a8l h ASP 186 Ca 0.23 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.26 1a8l h ASP 186 Cb 0.27 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1a8l h ASP 186 CO -0.01 0.70 0.48 -0.61 -1.72 0.00 0.00 179.24 178.08 1a8l h GLN 187 N 0.75 0.59 -0.45 3.56 4.15 -0.91 -1.84 115.11 120.95 1a8l h GLN 187 Ca 0.17 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.49 1a8l h GLN 187 Cb 0.26 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1a8l h GLN 187 CO -0.00 0.39 0.05 0.66 -1.93 0.00 0.00 178.83 178.00 1a8l n TYR 188 N -4.49 1.56 -3.98 3.99 4.01 -0.83 -4.97 117.16 112.45 1a8l n TYR 188 Ca 0.12 -0.99 -0.30 0.00 -0.16 0.00 0.00 57.90 56.58 1a8l n TYR 188 Cb 0.36 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 1a8l n TYR 188 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1a8l n ASN 189 N -0.23 -1.47 -4.67 7.72 3.02 -0.69 -4.88 115.26 114.06 1a8l n ASN 189 Ca 0.28 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 1a8l n ASN 189 Cb 1.09 -2.71 -0.03 0.00 -0.61 0.00 0.00 39.78 37.52 1a8l n ASN 189 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a8l s VAL 190 N -3.89 4.80 0.00 2.41 1.01 -0.57 -4.83 120.40 119.32 1a8l s VAL 190 Ca 0.15 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1a8l s VAL 190 Cb -0.06 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1a8l s VAL 190 CO 0.91 -0.04 0.00 0.23 0.00 0.00 0.00 175.10 176.21 1a8l n MET 191 N 5.47 0.00 -2.34 2.72 2.81 -1.26 -4.85 117.12 119.66 1a8l n MET 191 Ca 0.08 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.56 1a8l n MET 191 Cb 0.48 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.96 1a8l n MET 191 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a8l s ALA 192 N -2.00 3.42 0.19 3.04 0.00 -1.26 -5.04 121.76 120.11 1a8l s ALA 192 Ca 0.00 1.02 0.08 0.00 0.00 0.00 0.00 51.96 53.06 1a8l s ALA 192 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1a8l s ALA 192 CO 0.00 -0.35 -0.15 0.14 0.00 0.00 0.00 175.76 175.40 1a8l s VAL 193 N -1.18 1.71 0.37 0.00 -7.23 -1.26 -4.12 120.40 108.69 1a8l s VAL 193 Ca 0.47 -2.13 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 1a8l s VAL 193 Cb -0.34 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 1a8l s VAL 193 CO 0.45 -0.54 1.04 -2.16 -0.31 0.00 0.00 175.10 173.57 1a8l s PRO 194 N -3.45 4.31 -0.18 4.82 0.04 -1.26 -4.71 135.00 134.57 1a8l s PRO 194 Ca 0.20 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 1a8l s PRO 194 Cb -0.02 -2.69 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 1a8l s PRO 194 CO 0.06 -0.01 -0.06 0.21 0.04 0.00 0.00 177.00 177.24 1a8l s LYS 195 N -2.24 3.44 -0.12 4.56 2.47 -0.88 -0.58 119.74 126.38 1a8l s LYS 195 Ca 0.54 -0.62 -0.02 0.00 -1.56 0.00 0.00 55.97 54.32 1a8l s LYS 195 Cb -0.23 -2.89 -0.03 0.00 -1.46 0.00 0.00 37.83 33.22 1a8l s LYS 195 CO 0.29 0.00 -0.07 0.42 0.16 0.00 0.00 175.35 176.16 1a8l s ILE 196 N 0.95 3.66 -0.15 5.43 1.09 0.93 -1.36 121.20 131.76 1a8l s ILE 196 Ca -0.01 -0.46 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 1a8l s ILE 196 Cb -0.15 -2.56 0.02 0.00 -1.06 0.00 0.00 42.46 38.72 1a8l s ILE 196 CO 0.00 0.53 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.55 1a8l s VAL 197 N 0.00 1.55 -0.23 2.92 1.01 -0.50 -1.19 120.40 123.97 1a8l s VAL 197 Ca -0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1a8l s VAL 197 Cb -0.14 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1a8l s VAL 197 CO 0.03 0.45 0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1a8l s ILE 198 N 1.49 4.37 -0.00 2.22 1.01 0.59 -0.66 121.20 130.22 1a8l s ILE 198 Ca 0.05 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.59 1a8l s ILE 198 Cb -0.13 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1a8l s ILE 198 CO -0.10 0.38 -0.14 -1.10 0.00 0.00 0.00 174.94 173.97 1a8l s GLN 199 N 1.24 2.35 -0.12 2.79 -0.21 -0.02 -1.11 119.66 124.58 1a8l s GLN 199 Ca 0.05 -0.81 -0.00 0.00 0.02 0.00 0.00 55.36 54.61 1a8l s GLN 199 Cb -0.15 -2.33 0.03 0.00 1.00 0.00 0.00 33.01 31.57 1a8l s GLN 199 CO 0.03 0.59 -0.07 0.08 -2.12 0.00 0.00 175.29 173.80 1a8l s VAL 200 N -0.85 1.02 -1.16 1.09 1.01 -0.44 -1.03 120.40 120.04 1a8l s VAL 200 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1a8l s VAL 200 Cb -0.11 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1a8l s VAL 200 CO 0.04 0.34 0.52 0.59 0.00 0.00 0.00 175.10 176.58 1a8l n ASN 201 N 4.94 -5.05 0.00 3.32 3.02 -0.31 -2.60 115.26 118.58 1a8l n ASN 201 Ca -0.12 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 1a8l n ASN 201 Cb 0.50 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 1a8l n ASN 201 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a8l n GLY 202 N -1.38 1.95 3.60 7.41 0.00 -1.26 -5.02 105.19 110.50 1a8l n GLY 202 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1a8l n GLY 202 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a8l s GLU 203 N -0.02 2.70 0.32 1.61 -1.05 -1.07 -5.04 118.70 116.15 1a8l s GLU 203 Ca 0.00 -0.61 -0.29 0.00 -0.15 0.00 0.00 54.97 53.92 1a8l s GLU 203 Cb 0.00 -2.58 -0.11 0.00 -0.44 0.00 0.00 34.13 31.00 1a8l s GLU 203 CO 0.00 0.64 1.47 -0.51 0.95 0.00 0.00 175.26 177.81 1a8l s ASP 204 N -1.09 6.49 0.00 0.83 1.01 -1.26 -1.33 116.67 121.31 1a8l s ASP 204 Ca 0.15 2.89 0.00 0.00 0.71 0.00 0.00 52.55 56.29 1a8l s ASP 204 Cb -0.11 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1a8l s ASP 204 CO 0.04 -0.79 0.00 0.54 0.21 0.00 0.00 175.17 175.18 1a8l n ARG 205 N 1.29 0.00 -3.79 8.23 5.12 -0.27 -4.88 116.66 122.36 1a8l n ARG 205 Ca 0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 1a8l n ARG 205 Cb 0.39 -0.75 -0.13 0.00 -1.16 0.00 0.00 32.46 30.82 1a8l n ARG 205 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1a8l s VAL 206 N -1.67 -0.01 -0.03 1.55 1.01 -1.09 -4.95 120.40 115.22 1a8l s VAL 206 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1a8l s VAL 206 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.11 1a8l s VAL 206 CO 0.00 0.02 -0.05 -1.61 0.00 0.00 0.00 175.10 173.45 1a8l s GLU 207 N 0.38 0.69 0.17 2.72 8.01 -1.26 -0.30 118.70 129.10 1a8l s GLU 207 Ca -0.02 -0.15 -0.17 0.00 0.01 0.00 0.00 54.97 54.63 1a8l s GLU 207 Cb -0.04 -0.69 0.03 0.00 -4.31 0.00 0.00 34.13 29.13 1a8l s GLU 207 CO -0.02 0.01 0.48 -0.59 0.01 0.00 0.00 175.26 175.16 1a8l s PHE 208 N 0.46 -0.19 0.02 1.61 -0.71 -0.33 -4.99 117.98 113.86 1a8l s PHE 208 Ca -0.06 -0.13 0.08 0.00 -1.04 0.00 0.00 56.93 55.78 1a8l s PHE 208 Cb -0.10 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1a8l s PHE 208 CO -0.00 -0.83 -0.23 -1.21 -1.34 0.00 0.00 175.22 171.62 1a8l s GLU 209 N -3.84 2.00 0.00 1.99 2.02 -1.26 -0.05 118.70 119.56 1a8l s GLU 209 Ca 0.06 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1a8l s GLU 209 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1a8l s GLU 209 CO -0.07 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1a8l n GLY 210 N 1.87 2.67 3.54 -1.39 0.00 0.25 -4.95 105.19 107.18 1a8l n GLY 210 Ca -0.17 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1a8l n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8l s ALA 211 N -2.11 3.22 0.21 4.61 0.00 -1.26 -4.82 121.76 121.61 1a8l s ALA 211 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 1a8l s ALA 211 Cb 0.00 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 1a8l s ALA 211 CO 0.00 -2.15 0.52 0.71 0.00 0.00 0.00 175.76 174.84 1a8l s TYR 212 N 3.69 3.44 1.01 0.00 1.51 -1.26 -5.04 117.35 120.70 1a8l s TYR 212 Ca 0.32 0.82 -0.11 0.00 -1.01 0.00 0.00 57.07 57.09 1a8l s TYR 212 Cb -0.12 -2.22 0.20 0.00 -0.11 0.00 0.00 41.96 39.72 1a8l s TYR 212 CO 0.22 0.30 1.09 -2.14 -1.11 0.00 0.00 175.55 173.92 1a8l s PRO 213 N -2.77 0.24 0.19 -1.71 0.02 -1.26 -4.54 135.00 125.18 1a8l s PRO 213 Ca 0.46 1.20 -0.17 0.00 0.02 0.00 0.00 61.00 62.51 1a8l s PRO 213 Cb -0.11 -1.66 0.17 0.00 0.02 0.00 0.00 34.50 32.91 1a8l s PRO 213 CO 0.22 -3.05 1.62 1.49 -0.33 0.00 0.00 177.00 176.95 1a8l h GLU 214 N -2.15 -0.07 -0.31 5.54 4.81 -1.99 -0.21 114.58 120.19 1a8l h GLU 214 Ca -0.51 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1a8l h GLU 214 Cb 1.30 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1a8l h GLU 214 CO 0.46 -0.05 0.15 0.87 -0.73 0.00 0.00 179.01 179.71 1a8l h LYS 215 N -0.08 0.30 -0.31 1.92 1.79 -2.00 -0.62 116.57 117.58 1a8l h LYS 215 Ca 0.26 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.58 1a8l h LYS 215 Cb 0.48 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1a8l h LYS 215 CO -0.61 0.20 -0.33 0.52 -1.08 0.00 0.00 179.45 178.15 1a8l h MET 216 N 0.31 0.69 -0.31 3.15 2.86 -1.79 -1.61 114.93 118.23 1a8l h MET 216 Ca 0.13 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1a8l h MET 216 Cb 0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1a8l h MET 216 CO -0.10 0.92 0.09 0.35 1.06 0.00 0.00 176.91 179.23 1a8l h PHE 217 N 0.58 0.51 -0.39 -0.22 3.04 -0.85 -1.81 116.94 117.80 1a8l h PHE 217 Ca 0.06 -0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1a8l h PHE 217 Cb 0.85 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.19 1a8l h PHE 217 CO 0.04 0.53 0.24 1.25 -2.02 0.00 0.00 178.31 178.34 1a8l h LEU 218 N 0.34 0.39 -0.69 0.59 5.85 -0.99 -2.40 115.31 118.41 1a8l h LEU 218 Ca 0.10 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1a8l h LEU 218 Cb 0.26 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 1a8l h LEU 218 CO -0.00 0.29 0.29 -0.33 -0.34 0.00 0.00 178.44 178.34 1a8l h GLU 219 N 0.48 0.46 -0.52 1.25 5.08 -1.01 -0.37 114.58 119.95 1a8l h GLU 219 Ca 0.15 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1a8l h GLU 219 Cb -0.02 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1a8l h GLU 219 CO -0.06 0.30 0.30 0.87 -1.00 0.00 0.00 179.01 179.43 1a8l h LYS 220 N 0.47 0.58 -0.40 2.33 1.79 -0.86 -1.09 116.57 119.39 1a8l h LYS 220 Ca 0.36 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.74 1a8l h LYS 220 Cb 0.46 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1a8l h LYS 220 CO -0.33 0.38 0.07 1.25 -1.08 0.00 0.00 179.45 179.74 1a8l h LEU 221 N 0.60 0.63 -0.89 2.94 5.85 -0.89 -2.76 115.31 120.78 1a8l h LEU 221 Ca 0.21 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1a8l h LEU 221 Cb 0.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1a8l h LEU 221 CO -0.11 0.73 0.16 -0.07 -0.34 0.00 0.00 178.44 178.81 1a8l h LEU 222 N 0.51 0.92 -1.78 2.25 3.38 -0.84 -2.37 115.31 117.38 1a8l h LEU 222 Ca 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1a8l h LEU 222 Cb 0.36 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1a8l h LEU 222 CO 0.01 0.88 -0.15 0.77 0.09 0.00 0.00 178.44 180.04 1a8l h SER 223 N 0.94 0.00 1.51 -0.43 4.64 -1.08 -1.16 113.55 117.96 1a8l h SER 223 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1a8l h SER 223 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1a8l h SER 223 CO -0.00 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.11 1a8l h ALA 224 N 1.85 1.00 0.00 5.18 0.00 -1.14 -2.98 119.26 123.17 1a8l h ALA 224 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a8l h ALA 224 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1a8l h ALA 224 CO 0.02 0.00 -0.72 -0.07 0.00 0.00 0.00 179.25 178.48 1a8l h LEU 225 N 0.00 0.00 0.00 0.00 3.38 -1.05 -3.48 115.31 114.16 1a8l h LEU 225 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1a8l h LEU 225 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1a8l h LEU 225 CO 0.00 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.37