#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jqg s GLU 5 N 0.00 1.76 0.00 1.57 2.02 -1.26 -5.01 118.70 117.78 1jqg s GLU 5 Ca 0.00 -1.36 0.31 0.00 0.02 0.00 0.00 54.97 53.94 1jqg s GLU 5 Cb 0.00 -2.01 1.81 0.00 0.10 0.00 0.00 34.13 34.03 1jqg s GLU 5 CO 0.00 0.43 2.16 0.44 0.02 0.00 0.00 175.26 178.31 1jqg n ILE 6 N 0.32 0.00 -0.10 -1.63 -5.35 -1.26 -3.12 119.36 108.22 1jqg n ILE 6 Ca -0.13 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.41 1jqg n ILE 6 Cb 0.55 -0.52 0.15 0.00 -1.74 0.00 0.00 39.64 38.08 1jqg n ILE 6 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1jqg n TYR 7 N -1.02 0.43 -2.04 4.28 4.02 -1.26 -4.89 117.16 116.67 1jqg n TYR 7 Ca 0.22 -0.44 -0.41 0.00 -0.01 0.00 0.00 57.90 57.27 1jqg n TYR 7 Cb 0.12 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 1jqg n TYR 7 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1jqg s ASP 8 N -1.00 5.59 0.00 7.72 3.68 -1.18 -2.13 116.67 129.35 1jqg s ASP 8 Ca 0.23 0.78 0.00 0.00 2.13 0.00 0.00 52.55 55.69 1jqg s ASP 8 Cb 0.12 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.06 1jqg s ASP 8 CO 0.16 -2.04 0.00 0.61 0.13 0.00 0.00 175.17 174.03 1jqg n GLY 9 N 5.54 1.13 3.73 2.66 0.00 -1.26 -4.86 105.19 112.13 1jqg n GLY 9 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1jqg n GLY 9 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jqg s HIS 10 N -2.07 3.40 0.07 1.61 3.76 -0.91 -3.78 115.29 117.38 1jqg s HIS 10 Ca 0.00 1.35 0.09 0.00 -0.15 0.00 0.00 55.06 56.35 1jqg s HIS 10 Cb 0.00 -3.46 -0.03 0.00 1.11 0.00 0.00 32.58 30.20 1jqg s HIS 10 CO 0.00 -1.36 -0.22 0.00 -0.85 0.00 0.00 174.74 172.32 1jqg s ALA 11 N 0.26 2.47 -0.23 -1.40 0.00 -0.40 -1.12 121.76 121.34 1jqg s ALA 11 Ca 0.55 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 1jqg s ALA 11 Cb -0.33 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1jqg s ALA 11 CO 0.35 0.56 0.22 0.08 0.00 0.00 0.00 175.76 176.97 1jqg s VAL 12 N -0.94 5.32 0.19 0.00 1.01 -0.10 -0.68 120.40 125.19 1jqg s VAL 12 Ca 0.14 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.52 1jqg s VAL 12 Cb -0.10 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1jqg s VAL 12 CO 0.05 0.33 -0.03 -0.31 0.00 0.00 0.00 175.10 175.14 1jqg s TYR 13 N 1.07 2.76 -0.29 5.22 1.51 -0.40 -1.49 117.35 125.75 1jqg s TYR 13 Ca 0.10 -0.17 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1jqg s TYR 13 Cb -0.14 -1.33 0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1jqg s TYR 13 CO 0.05 0.53 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.84 1jqg s GLN 14 N -3.00 2.37 -0.19 -0.62 0.74 -0.67 -1.82 119.66 116.46 1jqg s GLN 14 Ca 0.27 -1.29 -0.15 0.00 0.05 0.00 0.00 55.36 54.24 1jqg s GLN 14 Cb -0.09 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 1jqg s GLN 14 CO 0.18 -0.60 0.35 0.14 -0.55 0.00 0.00 175.29 174.80 1jqg s VAL 15 N 1.20 5.24 -0.33 1.34 -7.23 -0.73 -1.59 120.40 118.29 1jqg s VAL 15 Ca -0.07 0.62 -0.05 0.00 -1.81 0.00 0.00 61.98 60.68 1jqg s VAL 15 Cb -0.20 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.11 1jqg s VAL 15 CO -0.02 0.30 0.08 -1.81 -0.31 0.00 0.00 175.10 173.34 1jqg s ASP 16 N 0.88 5.17 -0.07 4.85 1.01 -0.09 -2.02 116.67 126.41 1jqg s ASP 16 Ca 0.17 -1.27 -0.07 0.00 0.71 0.00 0.00 52.55 52.09 1jqg s ASP 16 Cb -0.14 -1.82 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 1jqg s ASP 16 CO 0.07 -0.33 0.19 0.68 0.21 0.00 0.00 175.17 175.99 1jqg s VAL 17 N 1.33 5.42 -0.18 -1.27 -7.23 -1.26 -3.17 120.40 114.03 1jqg s VAL 17 Ca -0.02 0.21 -0.06 0.00 -1.81 0.00 0.00 61.98 60.30 1jqg s VAL 17 Cb -0.20 -3.48 -0.22 0.00 0.56 0.00 0.00 36.38 33.05 1jqg s VAL 17 CO 0.01 0.53 0.11 0.00 -0.31 0.00 0.00 175.10 175.45 1jqg n ALA 18 N 1.67 1.07 -2.62 1.32 0.00 -1.26 -3.84 120.51 116.85 1jqg n ALA 18 Ca -0.17 -0.77 -0.29 0.00 0.00 0.00 0.00 53.44 52.21 1jqg n ALA 18 Cb 0.54 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 1jqg n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jqg s SER 19 N -6.90 3.35 0.26 0.00 1.04 -1.26 -4.75 113.70 105.44 1jqg s SER 19 Ca -0.28 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 54.48 1jqg s SER 19 Cb 0.08 0.51 0.35 0.00 0.10 0.00 0.00 66.02 67.06 1jqg s SER 19 CO 0.68 -0.90 1.71 0.24 0.98 0.00 0.00 173.24 175.94 1jqg h MET 20 N 1.61 0.60 -0.94 4.02 2.86 -2.00 -2.88 114.93 118.19 1jqg h MET 20 Ca -0.39 -0.22 0.11 0.00 -2.06 0.00 0.00 59.70 57.14 1jqg h MET 20 Cb 1.29 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.84 1jqg h MET 20 CO 0.64 0.77 0.60 0.22 1.06 0.00 0.00 176.91 180.20 1jqg h ASP 21 N 0.53 0.86 0.84 1.22 3.58 -2.01 -1.31 116.42 120.13 1jqg h ASP 21 Ca 0.08 0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.36 1jqg h ASP 21 Cb 0.65 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1jqg h ASP 21 CO 0.05 0.49 -0.94 1.56 -2.88 0.00 0.00 179.24 177.52 1jqg h GLN 22 N 0.94 0.05 -0.76 0.28 4.20 -1.95 -2.70 115.11 115.17 1jqg h GLN 22 Ca 0.45 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 59.16 1jqg h GLN 22 Cb 0.44 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 1jqg h GLN 22 CO -0.21 0.95 0.43 0.28 -0.67 0.00 0.00 178.83 179.61 1jqg h VAL 23 N 0.02 0.95 -0.11 -0.54 2.07 -1.03 0.42 116.25 118.03 1jqg h VAL 23 Ca -0.02 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1jqg h VAL 23 Cb 1.63 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1jqg h VAL 23 CO 0.13 0.14 -0.26 0.50 0.02 0.00 0.00 177.57 178.10 1jqg h LYS 24 N 0.77 0.37 0.03 1.57 3.11 -1.57 -2.82 116.57 118.03 1jqg h LYS 24 Ca 0.35 -0.25 0.03 0.00 -2.81 0.00 0.00 60.65 57.96 1jqg h LYS 24 Cb 0.25 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.46 1jqg h LYS 24 CO -0.21 0.86 -0.45 1.25 -2.81 0.00 0.00 179.45 178.09 1jqg h LEU 25 N -0.06 -1.37 -0.69 5.20 5.85 -1.14 -2.13 115.31 120.98 1jqg h LEU 25 Ca -0.00 0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1jqg h LEU 25 Cb 0.86 0.53 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1jqg h LEU 25 CO 0.06 -0.49 -0.28 0.58 -0.34 0.00 0.00 178.44 177.97 1jqg h VAL 26 N -0.63 1.28 0.08 1.05 2.07 -1.03 -2.84 116.25 116.23 1jqg h VAL 26 Ca 0.03 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1jqg h VAL 26 Cb 0.68 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1jqg h VAL 26 CO -0.31 0.46 -0.04 -0.74 0.02 0.00 0.00 177.57 176.96 1jqg h HIS 27 N 0.61 -0.10 -0.76 1.57 -0.00 -1.22 -1.43 115.15 113.82 1jqg h HIS 27 Ca 0.08 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 1jqg h HIS 27 Cb 0.78 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 1jqg h HIS 27 CO 0.04 0.06 0.26 -0.44 -0.00 0.00 0.00 177.93 177.85 1jqg h ASP 28 N -0.24 1.10 -0.24 3.26 3.32 -1.43 -2.59 116.42 119.59 1jqg h ASP 28 Ca -0.01 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1jqg h ASP 28 Cb 0.20 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1jqg h ASP 28 CO 0.02 1.01 0.11 0.15 -1.72 0.00 0.00 179.24 178.80 1jqg h PHE 29 N 1.13 0.34 -0.92 4.55 3.57 -1.24 -0.77 116.94 123.61 1jqg h PHE 29 Ca 0.25 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.81 1jqg h PHE 29 Cb 0.29 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1jqg h PHE 29 CO 0.02 0.34 0.59 0.93 -2.23 0.00 0.00 178.31 177.97 1jqg h GLU 30 N 0.25 0.95 -0.18 1.11 5.08 -1.16 -1.63 114.58 119.00 1jqg h GLU 30 Ca 0.08 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1jqg h GLU 30 Cb 0.13 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1jqg h GLU 30 CO -0.01 0.63 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.40 1jqg h ASN 31 N 0.98 0.59 0.76 1.42 4.21 -1.00 -0.36 115.58 122.18 1jqg h ASN 31 Ca 0.41 -0.54 -0.06 0.00 1.21 0.00 0.00 56.30 57.32 1jqg h ASN 31 Cb 0.31 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1jqg h ASN 31 CO -0.17 1.02 -0.28 0.44 -1.29 0.00 0.00 177.43 177.15 1jqg h ASP 32 N 0.19 0.00 0.17 5.81 3.45 -0.91 -1.04 116.42 124.09 1jqg h ASP 32 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1jqg h ASP 32 Cb 0.91 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 1jqg h ASP 32 CO 0.07 0.28 -0.21 -0.11 -1.57 0.00 0.00 179.24 177.70 1jqg n LEU 33 N -3.54 1.21 -3.80 1.55 7.94 -0.64 -4.97 117.00 114.74 1jqg n LEU 33 Ca -0.00 -0.35 -0.26 0.00 -1.11 0.00 0.00 56.01 54.29 1jqg n LEU 33 Cb 0.43 -0.09 0.01 0.00 0.53 0.00 0.00 43.42 44.30 1jqg n LEU 33 CO 0.35 0.22 -0.15 0.23 -1.11 0.00 0.00 177.39 176.93 1jqg n MET 34 N -0.42 -3.13 -2.67 1.96 2.81 -0.39 -5.00 117.12 110.28 1jqg n MET 34 Ca 0.13 0.48 -0.28 0.00 -1.81 0.00 0.00 57.70 56.22 1jqg n MET 34 Cb 0.36 -4.60 -0.01 0.00 -0.71 0.00 0.00 33.22 28.26 1jqg n MET 34 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1jqg s LEU 35 N -6.74 3.67 -0.72 4.03 1.43 -0.22 -4.94 118.68 115.19 1jqg s LEU 35 Ca 0.13 0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 1jqg s LEU 35 Cb -0.05 -3.92 0.07 0.00 0.03 0.00 0.00 46.19 42.32 1jqg s LEU 35 CO 0.86 -0.54 1.05 -0.62 0.23 0.00 0.00 176.35 177.33 1jqg s ASP 36 N -3.88 6.24 -0.66 2.29 2.15 -1.19 -4.86 116.67 116.77 1jqg s ASP 36 Ca 0.48 -1.07 -0.25 0.00 0.43 0.00 0.00 52.55 52.14 1jqg s ASP 36 Cb -0.10 -2.44 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 1jqg s ASP 36 CO 0.42 -1.45 1.09 -0.69 -0.17 0.00 0.00 175.17 174.37 1jqg s VAL 37 N 4.16 4.10 0.14 1.11 1.01 -1.26 0.07 120.40 129.73 1jqg s VAL 37 Ca 0.26 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1jqg s VAL 37 Cb -0.13 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.45 1jqg s VAL 37 CO 0.07 -1.52 1.46 -0.50 0.00 0.00 0.00 175.10 174.62 1jqg h TRP 38 N 9.67 1.12 -2.78 5.22 4.06 -1.49 -3.46 115.95 128.30 1jqg h TRP 38 Ca -0.28 -0.35 -0.13 0.00 2.06 0.00 0.00 58.89 60.20 1jqg h TRP 38 Cb 1.06 -0.23 -0.26 0.00 -1.00 0.00 0.00 29.16 28.73 1jqg h TRP 38 CO 1.02 1.18 -0.30 -1.54 -3.56 0.00 0.00 178.44 175.23 1jqg s SER 39 N -6.85 -0.43 0.35 -3.49 1.04 -0.76 -4.88 113.70 98.69 1jqg s SER 39 Ca -0.11 0.78 -0.27 0.00 0.48 0.00 0.00 55.95 56.83 1jqg s SER 39 Cb 0.11 0.73 -0.09 0.00 0.10 0.00 0.00 66.02 66.87 1jqg s SER 39 CO 0.88 -0.16 1.20 -1.81 0.98 0.00 0.00 173.24 174.34 1jqg s ASP 40 N 0.74 6.76 0.13 7.02 1.11 -1.26 -2.02 116.67 129.15 1jqg s ASP 40 Ca -0.04 2.45 -0.30 0.00 0.18 0.00 0.00 52.55 54.84 1jqg s ASP 40 Cb -0.05 -2.63 -0.06 0.00 1.07 0.00 0.00 42.92 41.24 1jqg s ASP 40 CO -0.05 -0.52 1.06 0.00 1.18 0.00 0.00 175.17 176.84 1jqg s ALA 41 N -1.26 3.32 -0.08 5.23 0.00 -1.26 -3.98 121.76 123.72 1jqg s ALA 41 Ca 0.52 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 1jqg s ALA 41 Cb -0.34 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1jqg s ALA 41 CO 0.44 -0.18 0.35 0.54 0.00 0.00 0.00 175.76 176.91 1jqg s VAL 42 N 0.08 0.03 -0.23 0.00 0.11 -1.17 -4.85 120.40 114.37 1jqg s VAL 42 Ca 0.50 -0.22 -0.38 0.00 -2.93 0.00 0.00 61.98 58.95 1jqg s VAL 42 Cb -0.27 -0.58 -0.14 0.00 -1.53 0.00 0.00 36.38 33.87 1jqg s VAL 42 CO 0.32 -0.12 1.85 -2.65 -3.33 0.00 0.00 175.10 171.17 1jqg n PRO 48 N 2.07 1.48 0.00 1.54 -0.02 -1.25 -1.11 135.00 137.71 1jqg n PRO 48 Ca -0.17 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1jqg n PRO 48 Cb 0.57 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1jqg n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jqg n GLY 49 N 4.55 1.10 2.88 -1.23 0.00 -1.26 -4.98 105.19 106.25 1jqg n GLY 49 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1jqg n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jqg s ARG 50 N -0.92 0.77 0.52 1.61 3.52 -0.27 -5.15 118.95 119.03 1jqg s ARG 50 Ca 0.00 -0.80 -0.22 0.00 -0.13 0.00 0.00 55.73 54.59 1jqg s ARG 50 Cb 0.00 -0.44 -0.07 0.00 -1.56 0.00 0.00 34.95 32.88 1jqg s ARG 50 CO 0.00 -1.23 1.11 -0.35 -0.81 0.00 0.00 175.30 174.02 1jqg n PRO 51 N 4.04 1.33 -3.16 5.12 -0.04 -1.25 -3.05 135.00 137.98 1jqg n PRO 51 Ca 0.13 0.49 -0.18 0.00 -0.04 0.00 0.00 63.50 63.91 1jqg n PRO 51 Cb 0.50 -2.26 -0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1jqg n PRO 51 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jqg s GLY 52 N -0.94 1.99 -0.03 0.55 0.00 -0.85 -4.83 107.32 103.20 1jqg s GLY 52 Ca 0.70 -1.72 0.07 0.00 0.00 0.00 0.00 44.72 43.76 1jqg s GLY 52 CO 0.51 -1.54 -0.24 0.54 0.00 0.00 0.00 173.10 172.37 1jqg s LYS 53 N -4.29 2.15 -0.01 2.90 1.02 -0.86 -1.78 119.74 118.87 1jqg s LYS 53 Ca 0.53 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1jqg s LYS 53 Cb -0.08 -1.98 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1jqg s LYS 53 CO 0.32 0.47 -0.01 0.54 -0.92 0.00 0.00 175.35 175.75 1jqg s VAL 54 N -0.43 0.12 -0.34 3.17 0.11 -0.76 -1.12 120.40 121.15 1jqg s VAL 54 Ca 0.05 -0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.88 1jqg s VAL 54 Cb -0.11 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 1jqg s VAL 54 CO 0.01 0.06 0.67 -0.22 -3.33 0.00 0.00 175.10 172.29 1jqg s LEU 55 N 0.28 4.19 -0.19 2.54 2.96 0.11 -1.27 118.68 127.30 1jqg s LEU 55 Ca -0.02 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1jqg s LEU 55 Cb -0.04 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.79 1jqg s LEU 55 CO -0.01 -0.59 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.67 1jqg s VAL 56 N 2.76 3.19 0.78 1.68 1.01 0.14 -3.18 120.40 126.78 1jqg s VAL 56 Ca 0.26 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 1jqg s VAL 56 Cb -0.14 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.86 1jqg s VAL 56 CO 0.14 0.46 0.95 -2.65 0.00 0.00 0.00 175.10 174.01 1jqg n PRO 57 N 4.40 0.26 -0.25 2.72 -0.02 -1.26 -1.28 135.00 139.58 1jqg n PRO 57 Ca -0.18 0.15 -0.01 0.00 -2.02 0.00 0.00 63.50 61.44 1jqg n PRO 57 Cb 0.51 -2.22 0.20 0.00 -0.02 0.00 0.00 33.50 31.97 1jqg n PRO 57 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1jqg h LYS 58 N -0.68 1.06 -0.08 -0.52 3.64 -1.89 -1.72 116.57 116.37 1jqg h LYS 58 Ca -0.46 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1jqg h LYS 58 Cb 1.32 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1jqg h LYS 58 CO 0.45 0.73 0.00 1.19 -2.27 0.00 0.00 179.45 179.55 1jqg n PHE 59 N -4.39 0.11 -0.60 1.91 3.01 -1.26 -3.27 117.46 112.97 1jqg n PHE 59 Ca 0.09 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1jqg n PHE 59 Cb 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1jqg n PHE 59 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jqg n LYS 60 N -0.26 -0.22 -0.28 -1.08 5.02 -0.69 -4.84 118.16 115.81 1jqg n LYS 60 Ca 0.03 -0.18 -0.05 0.00 -2.02 0.00 0.00 58.31 56.09 1jqg n LYS 60 Cb 0.07 -0.66 0.06 0.00 -0.02 0.00 0.00 35.03 34.48 1jqg n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jqg h ARG 61 N 0.00 1.05 -0.24 1.97 3.08 -1.43 -0.63 114.38 118.18 1jqg h ARG 61 Ca 0.00 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1jqg h ARG 61 Cb 0.30 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1jqg h ARG 61 CO 0.00 0.76 -0.31 1.49 -1.07 0.00 0.00 179.97 180.83 1jqg h GLU 62 N 1.05 0.64 -0.49 0.04 4.81 -1.88 -2.77 114.58 115.98 1jqg h GLU 62 Ca 0.27 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1jqg h GLU 62 Cb -0.01 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1jqg h GLU 62 CO -0.05 0.97 -0.10 0.82 -0.73 0.00 0.00 179.01 179.93 1jqg h ILE 63 N 0.35 1.26 0.15 2.32 2.04 -1.86 -2.45 117.51 119.32 1jqg h ILE 63 Ca 0.03 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1jqg h ILE 63 Cb 0.89 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1jqg h ILE 63 CO 0.07 0.42 -0.07 0.15 0.00 0.00 0.00 178.15 178.72 1jqg h PHE 64 N 0.81 -0.19 0.00 1.37 3.04 -1.11 -2.81 116.94 118.06 1jqg h PHE 64 Ca 0.13 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1jqg h PHE 64 Cb 0.62 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1jqg h PHE 64 CO 0.04 0.04 -0.01 -0.85 -2.02 0.00 0.00 178.31 175.51 1jqg n GLU 65 N -5.09 0.22 -0.08 1.11 0.28 -1.05 -2.89 120.64 113.15 1jqg n GLU 65 Ca -0.09 0.18 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 1jqg n GLU 65 Cb 0.17 -1.76 -0.05 0.00 1.43 0.00 0.00 31.44 31.23 1jqg n GLU 65 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1jqg h ASN 66 N 0.00 0.46 -0.51 -1.84 -1.24 -1.33 -2.24 115.58 108.88 1jqg h ASN 66 Ca 0.00 -0.40 -0.09 0.00 0.71 0.00 0.00 56.30 56.52 1jqg h ASN 66 Cb 0.70 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 1jqg h ASN 66 CO 0.00 0.75 -0.02 0.15 -1.29 0.00 0.00 177.43 177.02 1jqg h PHE 67 N 0.16 1.00 -0.65 0.67 3.57 -1.37 -2.74 116.94 117.59 1jqg h PHE 67 Ca 0.05 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.30 1jqg h PHE 67 Cb 0.57 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1jqg h PHE 67 CO 0.06 0.94 0.15 -0.07 -2.23 0.00 0.00 178.31 177.16 1jqg h LEU 68 N 0.78 0.99 -0.50 0.59 3.38 -1.54 -0.92 115.31 118.09 1jqg h LEU 68 Ca 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1jqg h LEU 68 Cb 0.55 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1jqg h LEU 68 CO 0.03 0.97 0.31 0.50 0.09 0.00 0.00 178.44 180.34 1jqg h LYS 69 N 0.96 0.67 0.00 1.13 3.11 -1.34 -0.86 116.57 120.23 1jqg h LYS 69 Ca 0.20 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1jqg h LYS 69 Cb 0.37 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1jqg h LYS 69 CO 0.00 0.47 0.00 0.00 -2.81 0.00 0.00 179.45 177.12 1jqg n GLN 70 N -4.71 0.22 0.00 1.90 10.64 -1.04 -2.81 117.38 121.58 1jqg n GLN 70 Ca 0.02 0.20 0.11 0.00 -1.83 0.00 0.00 57.00 55.50 1jqg n GLN 70 Cb 0.04 -1.76 0.11 0.00 -0.86 0.00 0.00 30.24 27.78 1jqg n GLN 70 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1jqg n SER 71 N -2.14 0.77 -0.19 2.61 7.64 -0.37 -4.98 113.62 116.96 1jqg n SER 71 Ca 0.06 -0.61 -0.02 0.00 1.01 0.00 0.00 58.87 59.30 1jqg n SER 71 Cb 0.40 0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 1jqg n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jqg n GLY 72 N 1.49 0.58 3.64 0.23 0.00 -0.75 -5.02 105.19 105.35 1jqg n GLY 72 Ca 0.05 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1jqg n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jqg s VAL 73 N -2.06 5.17 0.42 1.61 1.01 -0.40 -5.01 120.40 121.13 1jqg s VAL 73 Ca 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 1jqg s VAL 73 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1jqg s VAL 73 CO 0.00 0.20 1.34 -1.10 0.00 0.00 0.00 175.10 175.53 1jqg s GLN 74 N 1.72 3.90 0.23 2.72 -0.21 -1.19 -4.47 119.66 122.35 1jqg s GLN 74 Ca 0.18 2.23 -0.17 0.00 0.02 0.00 0.00 55.36 57.62 1jqg s GLN 74 Cb -0.15 -2.74 0.02 0.00 1.00 0.00 0.00 33.01 31.14 1jqg s GLN 74 CO 0.09 -0.58 0.55 1.52 -2.12 0.00 0.00 175.29 174.75 1jqg s TYR 75 N -1.24 0.02 -0.24 0.91 -0.85 -1.26 -0.91 117.35 113.78 1jqg s TYR 75 Ca 0.58 -0.40 -0.28 0.00 -0.52 0.00 0.00 57.07 56.45 1jqg s TYR 75 Cb -0.40 0.39 0.16 0.00 0.38 0.00 0.00 41.96 42.49 1jqg s TYR 75 CO 0.51 -1.01 1.20 -1.59 -1.52 0.00 0.00 175.55 173.14 1jqg s LYS 76 N -3.93 0.31 -0.31 -3.49 -2.85 -0.62 -4.98 119.74 103.87 1jqg s LYS 76 Ca 0.14 0.15 -0.28 0.00 -1.00 0.00 0.00 55.97 54.97 1jqg s LYS 76 Cb -0.02 0.15 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 1jqg s LYS 76 CO 0.03 -0.08 1.77 -1.17 0.10 0.00 0.00 175.35 176.00 1jqg s LEU 77 N -0.70 3.55 -0.21 2.77 2.96 -1.26 -1.67 118.68 124.13 1jqg s LEU 77 Ca 0.04 1.34 -0.16 0.00 -0.22 0.00 0.00 54.13 55.14 1jqg s LEU 77 Cb -0.02 -3.53 -0.19 0.00 0.50 0.00 0.00 46.19 42.95 1jqg s LEU 77 CO -0.06 -1.64 0.11 1.21 -1.32 0.00 0.00 176.35 174.65 1jqg n GLU 78 N 8.33 0.61 -3.80 1.98 2.13 -0.55 -4.90 120.64 124.43 1jqg n GLU 78 Ca 0.22 0.43 -0.25 0.00 0.66 0.00 0.00 57.16 58.23 1jqg n GLU 78 Cb 0.46 -1.68 -0.17 0.00 0.27 0.00 0.00 31.44 30.32 1jqg n GLU 78 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1jqg s VAL 79 N -2.44 0.58 0.10 6.31 1.01 -1.09 -4.98 120.40 119.88 1jqg s VAL 79 Ca -0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1jqg s VAL 79 Cb 0.08 -0.76 -0.25 0.00 0.00 0.00 0.00 36.38 35.45 1jqg s VAL 79 CO 0.61 0.20 1.20 -0.08 0.00 0.00 0.00 175.10 177.03 1jqg h GLU 80 N 8.27 0.28 -2.80 2.72 4.81 -1.87 -0.25 114.58 125.75 1jqg h GLU 80 Ca -0.21 -0.42 -0.49 0.00 -0.13 0.00 0.00 59.36 58.11 1jqg h GLU 80 Cb 1.12 0.15 -0.40 0.00 0.63 0.00 0.00 28.75 30.26 1jqg h GLU 80 CO 0.31 1.17 -0.76 1.21 -0.73 0.00 0.00 179.01 180.21 1jqg s ASN 81 N -7.10 3.02 0.13 1.04 2.47 -1.24 -4.01 114.94 109.25 1jqg s ASN 81 Ca -0.04 -1.04 0.12 0.00 0.42 0.00 0.00 52.86 52.32 1jqg s ASN 81 Cb 0.08 -0.23 0.58 0.00 -1.45 0.00 0.00 41.25 40.23 1jqg s ASN 81 CO 0.87 -0.41 1.37 1.33 -3.72 0.00 0.00 177.10 176.54 1jqg n VAL 82 N 5.26 1.39 -0.32 -5.21 0.24 -0.28 -3.02 118.33 116.40 1jqg n VAL 82 Ca -0.06 0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 62.70 1jqg n VAL 82 Cb 0.44 -1.44 0.08 0.00 -1.47 0.00 0.00 33.84 31.46 1jqg n VAL 82 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1jqg h LYS 83 N 0.00 1.17 -0.35 7.34 3.64 -1.84 -1.97 116.57 124.56 1jqg h LYS 83 Ca 0.00 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1jqg h LYS 83 Cb 0.09 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1jqg h LYS 83 CO 0.00 0.80 0.09 0.93 -2.27 0.00 0.00 179.45 179.00 1jqg h GLU 84 N 1.19 0.51 -0.04 1.90 5.08 -1.91 -1.14 114.58 120.18 1jqg h GLU 84 Ca 0.32 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 1jqg h GLU 84 Cb -0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1jqg h GLU 84 CO -0.06 0.47 -0.75 1.96 -1.00 0.00 0.00 179.01 179.62 1jqg h GLN 85 N 0.51 0.29 -0.28 2.33 4.20 -1.60 -2.59 115.11 117.97 1jqg h GLN 85 Ca 0.12 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.45 1jqg h GLN 85 Cb 0.19 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1jqg h GLN 85 CO -0.00 0.91 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.68 1jqg h LEU 86 N 0.19 0.76 -1.18 1.46 3.38 -0.64 -2.58 115.31 116.70 1jqg h LEU 86 Ca -0.03 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1jqg h LEU 86 Cb 1.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1jqg h LEU 86 CO 0.12 1.09 -0.17 -0.33 0.09 0.00 0.00 178.44 179.25 1jqg h GLU 87 N 0.44 0.37 -0.33 1.13 5.08 -1.24 -2.28 114.58 117.74 1jqg h GLU 87 Ca 0.04 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1jqg h GLU 87 Cb 0.89 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1jqg h GLU 87 CO 0.08 0.53 -0.31 1.25 -1.00 0.00 0.00 179.01 179.55 1jqg h LEU 88 N 0.34 0.85 -0.44 1.33 5.85 -1.37 -1.84 115.31 120.04 1jqg h LEU 88 Ca 0.06 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1jqg h LEU 88 Cb 0.50 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1jqg h LEU 88 CO 0.03 1.14 0.28 -0.08 -0.34 0.00 0.00 178.44 179.47 1jqg h GLU 89 N 0.58 0.59 -0.59 1.25 4.81 -1.16 0.13 114.58 120.20 1jqg h GLU 89 Ca 0.06 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1jqg h GLU 89 Cb 0.89 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 1jqg h GLU 89 CO 0.08 0.41 0.26 -0.44 -0.73 0.00 0.00 179.01 178.59 1jqg h ASP 90 N 0.59 0.31 -0.43 1.04 3.32 -1.32 0.34 116.42 120.27 1jqg h ASP 90 Ca 0.16 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1jqg h ASP 90 Cb -0.04 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1jqg h ASP 90 CO -0.03 0.20 0.19 -0.61 -1.72 0.00 0.00 179.24 177.27 1jqg h GLN 91 N 0.47 0.62 -0.21 3.56 4.15 -0.70 0.26 115.11 123.26 1jqg h GLN 91 Ca 0.28 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.46 1jqg h GLN 91 Cb 0.28 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1jqg h GLN 91 CO -0.24 0.56 -0.46 -0.07 -1.93 0.00 0.00 178.83 176.68 1jqg h LEU 92 N 0.55 0.58 -0.04 -2.39 4.07 -0.14 -2.66 115.31 115.27 1jqg h LEU 92 Ca 0.14 -0.28 -0.23 0.00 0.08 0.00 0.00 57.88 57.60 1jqg h LEU 92 Cb 0.15 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1jqg h LEU 92 CO -0.02 0.96 -1.05 -0.07 -1.08 0.00 0.00 178.44 177.18 1jqg h LEU 93 N 0.43 0.22 -0.59 1.67 3.38 -0.28 -2.97 115.31 117.17 1jqg h LEU 93 Ca 0.03 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1jqg h LEU 93 Cb 0.97 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1jqg h LEU 93 CO 0.09 1.13 -0.11 0.00 0.09 0.00 0.00 178.44 179.64 1jqg h ALA 94 N 0.85 0.80 -0.05 1.53 0.00 -0.91 -1.21 119.26 120.27 1jqg h ALA 94 Ca -0.06 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 1jqg h ALA 94 Cb 1.76 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1jqg h ALA 94 CO 0.16 0.67 -0.65 0.00 0.00 0.00 0.00 179.25 179.42 1jqg h ALA 95 N 0.97 0.81 -0.10 0.00 0.00 -1.55 -2.57 119.26 116.82 1jqg h ALA 95 Ca 0.14 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1jqg h ALA 95 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jqg h ALA 95 CO 0.05 0.77 -0.57 0.00 0.00 0.00 0.00 179.25 179.49 1jqg h ALA 96 N 1.19 0.84 0.00 0.00 0.00 -1.30 -2.81 119.26 117.17 1jqg h ALA 96 Ca -0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1jqg h ALA 96 Cb 1.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1jqg h ALA 96 CO 0.10 0.70 -0.36 0.00 0.00 0.00 0.00 179.25 179.69 1jqg h ALA 97 N 1.16 0.90 0.05 0.00 0.00 -1.07 -2.36 119.26 117.94 1jqg h ALA 97 Ca -0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 1jqg h ALA 97 Cb 1.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1jqg h ALA 97 CO 0.09 0.45 -1.03 0.00 0.00 0.00 0.00 179.25 178.77 1jqg h ALA 98 N 1.64 0.33 0.00 0.00 0.00 -1.29 -3.28 119.26 116.66 1jqg h ALA 98 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1jqg h ALA 98 Cb 1.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1jqg h ALA 98 CO 0.05 0.99 -0.96 1.17 0.00 0.00 0.00 179.25 180.50 1jqg n LYS 99 N -3.56 0.46 -1.99 0.00 4.81 -1.08 -4.96 118.16 111.83 1jqg n LYS 99 Ca -0.05 0.07 -0.41 0.00 -0.87 0.00 0.00 58.31 57.05 1jqg n LYS 99 Cb 0.91 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 34.22 1jqg n LYS 99 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jqg s SER 100 N -4.71 6.62 -0.21 3.14 0.15 -0.89 -4.91 113.70 112.89 1jqg s SER 100 Ca 0.02 2.77 0.11 0.00 0.70 0.00 0.00 55.95 59.55 1jqg s SER 100 Cb 0.12 -2.64 0.68 0.00 -1.71 0.00 0.00 66.02 62.47 1jqg s SER 100 CO 0.78 -0.69 1.55 0.59 1.20 0.00 0.00 173.24 176.67 1jqg n ASN 1 N 1.40 4.92 -4.77 5.45 5.03 -1.26 -4.97 115.26 121.07 1jqg n ASN 1 Ca 0.03 -2.80 -0.40 0.00 0.87 0.00 0.00 54.58 52.28 1jqg n ASN 1 Cb 0.40 -0.66 0.01 0.00 -1.02 0.00 0.00 39.78 38.51 1jqg n ASN 1 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1jqg s SER 2 N -0.66 5.99 0.27 6.41 0.15 -1.26 -4.92 113.70 119.68 1jqg s SER 2 Ca 0.46 2.94 0.01 0.00 0.70 0.00 0.00 55.95 60.06 1jqg s SER 2 Cb 0.35 -2.66 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 1jqg s SER 2 CO 0.13 -1.10 0.10 0.28 1.20 0.00 0.00 173.24 173.85 1jqg s THR 3 N -1.19 0.56 0.22 6.45 -1.32 -0.61 -4.97 115.64 114.78 1jqg s THR 3 Ca 0.59 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.98 1jqg s THR 3 Cb -0.44 -2.63 0.18 0.00 -1.51 0.00 0.00 72.50 68.09 1jqg s THR 3 CO 0.58 0.00 1.87 -0.09 -2.21 0.00 0.00 174.62 174.76 1jqg h ARG 4 N 2.35 1.09 0.00 7.08 2.43 -1.95 -2.94 114.38 122.44 1jqg h ARG 4 Ca -0.38 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1jqg h ARG 4 Cb 1.25 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1jqg h ARG 4 CO 0.60 0.76 -0.52 0.66 -1.51 0.00 0.00 179.97 179.96 1jqg h SER 5 N 1.11 0.00 -2.81 -3.80 4.64 -1.92 -3.35 113.55 107.41 1jqg h SER 5 Ca 0.29 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.99 1jqg h SER 5 Cb -0.06 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.63 1jqg h SER 5 CO -0.06 0.03 -0.79 -0.13 -0.87 0.00 0.00 176.83 175.01 1jqg s ARG 6 N -3.23 0.41 -0.17 4.77 1.81 -1.11 -4.85 118.95 116.57 1jqg s ARG 6 Ca 0.05 -0.90 -0.29 0.00 -1.72 0.00 0.00 55.73 52.86 1jqg s ARG 6 Cb 0.10 -1.37 -0.01 0.00 -0.45 0.00 0.00 34.95 33.22 1jqg s ARG 6 CO 0.72 -1.08 1.19 -0.51 -0.68 0.00 0.00 175.30 174.94 1jqg s LEU 7 N 1.66 4.17 0.91 2.53 1.43 -1.24 -1.58 118.68 126.56 1jqg s LEU 7 Ca 0.12 1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 54.70 1jqg s LEU 7 Cb -0.19 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.64 1jqg s LEU 7 CO -0.23 -0.71 1.21 -0.44 0.23 0.00 0.00 176.35 176.41 1jqg s SER 8 N 1.70 3.57 -0.45 2.29 0.01 -1.26 -4.99 113.70 114.57 1jqg s SER 8 Ca 0.52 0.65 0.04 0.00 1.31 0.00 0.00 55.95 58.47 1jqg s SER 8 Cb -0.20 -1.01 0.47 0.00 0.21 0.00 0.00 66.02 65.49 1jqg s SER 8 CO 0.13 -2.48 1.59 0.49 0.41 0.00 0.00 173.24 173.37 1jqg n PHE 9 N -3.67 2.73 -0.33 2.43 3.01 -1.26 -4.48 117.46 115.88 1jqg n PHE 9 Ca 0.10 -2.45 0.02 0.00 1.01 0.00 0.00 57.45 56.13 1jqg n PHE 9 Cb 0.60 -0.82 0.03 0.00 -0.01 0.00 0.00 39.48 39.28 1jqg n PHE 9 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1jqg n ASP 10 N -0.86 1.95 -3.82 4.37 3.85 -1.26 -3.10 116.55 117.67 1jqg n ASP 10 Ca 0.51 -2.20 -0.06 0.00 -0.71 0.00 0.00 54.79 52.32 1jqg n ASP 10 Cb 0.88 -0.10 -0.02 0.00 -1.35 0.00 0.00 41.12 40.53 1jqg n ASP 10 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1jqg s LYS 11 N -1.37 1.65 -0.07 0.11 -2.85 -1.26 -4.65 119.74 111.30 1jqg s LYS 11 Ca 0.07 -0.90 -0.16 0.00 -1.00 0.00 0.00 55.97 53.98 1jqg s LYS 11 Cb 0.06 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.35 1jqg s LYS 11 CO 0.01 -0.75 0.43 0.42 0.10 0.00 0.00 175.35 175.55 1jqg s ILE 12 N -3.78 5.13 -0.09 3.79 -1.09 -1.26 -4.97 121.20 118.92 1jqg s ILE 12 Ca 0.11 0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 59.36 1jqg s ILE 12 Cb -0.05 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1jqg s ILE 12 CO 0.05 0.44 0.05 -1.00 -1.23 0.00 0.00 174.94 173.26 1jqg s HIS 13 N -0.12 3.32 0.92 3.97 3.76 -1.26 -5.06 115.29 120.82 1jqg s HIS 13 Ca 0.24 0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 55.31 1jqg s HIS 13 Cb -0.16 -1.83 0.16 0.00 1.11 0.00 0.00 32.58 31.86 1jqg s HIS 13 CO 0.11 0.57 1.22 -1.54 -0.85 0.00 0.00 174.74 174.25 1jqg s SER 14 N -1.01 3.47 0.16 1.40 1.04 -1.26 -4.84 113.70 112.66 1jqg s SER 14 Ca 0.15 0.59 -0.14 0.00 0.48 0.00 0.00 55.95 57.03 1jqg s SER 14 Cb -0.12 -0.90 0.05 0.00 0.10 0.00 0.00 66.02 65.16 1jqg s SER 14 CO 0.04 -2.54 1.78 0.22 0.98 0.00 0.00 173.24 173.72 1jqg h TYR 15 N -1.50 0.70 -0.77 5.02 3.20 -1.94 -2.02 116.97 119.66 1jqg h TYR 15 Ca -0.46 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.40 1jqg h TYR 15 Cb 1.29 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 1jqg h TYR 15 CO -0.49 0.51 0.50 0.93 -1.64 0.00 0.00 178.16 177.98 1jqg h GLU 16 N 0.68 1.02 -0.33 1.82 3.07 -1.99 0.26 114.58 119.12 1jqg h GLU 16 Ca 0.18 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.86 1jqg h GLU 16 Cb 0.04 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1jqg h GLU 16 CO -0.03 0.68 -0.26 0.93 -1.40 0.00 0.00 179.01 178.94 1jqg h GLU 17 N 1.05 0.67 -0.26 2.33 5.08 -1.84 -1.39 114.58 120.22 1jqg h GLU 17 Ca 0.28 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1jqg h GLU 17 Cb -0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1jqg h GLU 17 CO -0.06 0.86 -0.47 0.28 -1.00 0.00 0.00 179.01 178.62 1jqg h VAL 18 N 0.58 1.30 -0.54 3.13 2.07 -1.07 -1.33 116.25 120.38 1jqg h VAL 18 Ca 0.08 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1jqg h VAL 18 Cb 0.74 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1jqg h VAL 18 CO 0.06 0.53 0.29 -0.78 0.02 0.00 0.00 177.57 177.69 1jqg h ASP 19 N 0.52 0.68 -0.39 0.57 1.82 -0.83 -1.63 116.42 117.15 1jqg h ASP 19 Ca 0.01 -0.10 -0.12 0.00 -0.39 0.00 0.00 57.03 56.43 1jqg h ASP 19 Cb 1.07 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 1jqg h ASP 19 CO 0.11 0.58 -0.25 0.00 -1.61 0.00 0.00 179.24 178.07 1jqg h ALA 20 N 1.12 0.55 -0.15 -0.78 0.00 -1.18 -3.21 119.26 115.60 1jqg h ALA 20 Ca 0.19 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1jqg h ALA 20 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jqg h ALA 20 CO -0.03 0.55 0.00 -0.92 0.00 0.00 0.00 179.25 178.85 1jqg h TYR 21 N 0.66 -0.00 -0.84 0.00 3.20 -0.99 -2.37 116.97 116.63 1jqg h TYR 21 Ca 0.08 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.11 1jqg h TYR 21 Cb 0.81 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 39.01 1jqg h TYR 21 CO 0.06 -0.02 0.42 -0.07 -1.64 0.00 0.00 178.16 176.91 1jqg h LEU 22 N 0.06 0.50 -1.13 2.82 3.38 -1.36 -1.78 115.31 117.80 1jqg h LEU 22 Ca 0.07 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1jqg h LEU 22 Cb 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jqg h LEU 22 CO -0.12 0.20 -0.40 1.56 0.09 0.00 0.00 178.44 179.77 1jqg h GLN 23 N 0.60 0.00 0.02 1.13 4.20 -1.47 -3.01 115.11 116.58 1jqg h GLN 23 Ca 0.46 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.96 1jqg h GLN 23 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1jqg h GLN 23 CO -0.37 0.40 -0.93 0.93 -0.67 0.00 0.00 178.83 178.19 1jqg h GLU 24 N 0.00 0.19 -0.59 1.46 4.39 -0.86 -3.10 114.58 116.06 1jqg h GLU 24 Ca -0.00 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.37 1jqg h GLU 24 Cb 0.79 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1jqg h GLU 24 CO 0.05 0.99 -0.02 1.25 -1.16 0.00 0.00 179.01 180.12 1jqg h LEU 25 N 0.09 1.04 -1.61 1.33 5.85 -1.30 -2.45 115.31 118.27 1jqg h LEU 25 Ca -0.05 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1jqg h LEU 25 Cb 1.58 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1jqg h LEU 25 CO 0.14 1.11 -0.02 0.00 -0.34 0.00 0.00 178.44 179.33 1jqg h ALA 26 N 0.97 1.01 0.08 1.25 0.00 -1.46 -0.34 119.26 120.78 1jqg h ALA 26 Ca 0.16 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 1jqg h ALA 26 Cb 0.59 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1jqg h ALA 26 CO 0.04 0.03 -1.15 0.87 0.00 0.00 0.00 179.25 179.03 1jqg h LYS 27 N 0.00 0.51 0.00 0.00 1.57 -1.40 -3.29 116.57 113.95 1jqg h LYS 27 Ca -0.00 -0.66 -0.25 0.00 -1.87 0.00 0.00 60.65 57.87 1jqg h LYS 27 Cb 0.47 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1jqg h LYS 27 CO 0.00 1.27 -1.44 1.49 -0.57 0.00 0.00 179.45 180.21 1jqg h GLU 28 N 0.23 0.00 -2.16 3.15 4.81 -1.14 -3.40 114.58 116.07 1jqg h GLU 28 Ca -0.15 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.52 1jqg h GLU 28 Cb 1.82 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.79 1jqg h GLU 28 CO 0.21 0.62 -0.83 1.19 -0.73 0.00 0.00 179.01 179.46 1jqg n PHE 29 N -3.12 2.45 0.24 0.92 3.01 -0.16 -4.94 117.46 115.85 1jqg n PHE 29 Ca -0.11 -3.93 0.11 0.00 1.01 0.00 0.00 57.45 54.53 1jqg n PHE 29 Cb 0.99 -0.47 0.55 0.00 -0.01 0.00 0.00 39.48 40.54 1jqg n PHE 29 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jqg h PRO 30 N 3.35 0.00 0.00 -1.08 0.13 -1.77 0.31 132.00 132.94 1jqg h PRO 30 Ca 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1jqg h PRO 30 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1jqg h PRO 30 CO 0.70 0.19 -0.34 -0.91 -0.23 0.00 0.00 178.00 177.41 1jqg h ASN 31 N 0.00 0.00 0.00 1.44 4.21 -1.92 -3.37 115.58 115.94 1jqg h ASN 31 Ca -0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1jqg h ASN 31 Cb 0.61 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 1jqg h ASN 31 CO 0.02 0.34 -1.29 1.33 -1.29 0.00 0.00 177.43 176.55 1jqg n VAL 32 N -3.32 0.20 -4.29 2.81 0.24 -1.15 -4.55 118.33 108.27 1jqg n VAL 32 Ca 0.01 -0.17 -0.35 0.00 -2.04 0.00 0.00 64.34 61.79 1jqg n VAL 32 Cb 0.57 -0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 32.46 1jqg n VAL 32 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jqg s VAL 33 N -2.21 4.47 -0.19 3.34 1.01 0.09 -0.66 120.40 126.25 1jqg s VAL 33 Ca -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1jqg s VAL 33 Cb 0.02 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.58 1jqg s VAL 33 CO 0.20 0.59 0.17 -0.89 0.00 0.00 0.00 175.10 175.17 1jqg s THR 34 N -0.74 -0.23 -0.01 3.92 2.01 -1.13 -4.43 115.64 115.03 1jqg s THR 34 Ca 0.12 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.72 1jqg s THR 34 Cb -0.12 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 1jqg s THR 34 CO 0.02 -0.25 0.72 0.54 -0.69 0.00 0.00 174.62 174.97 1jqg s VAL 35 N 2.25 4.89 -0.01 3.82 0.11 -1.26 -1.33 120.40 128.87 1jqg s VAL 35 Ca 0.05 1.52 0.01 0.00 -2.93 0.00 0.00 61.98 60.63 1jqg s VAL 35 Cb -0.16 -4.07 0.01 0.00 -1.53 0.00 0.00 36.38 30.63 1jqg s VAL 35 CO -0.12 0.32 -0.03 0.54 -3.33 0.00 0.00 175.10 172.48 1jqg s VAL 36 N 0.31 0.31 -0.42 2.04 0.11 -0.43 -5.00 120.40 117.32 1jqg s VAL 36 Ca 0.38 -0.12 -0.28 0.00 -2.93 0.00 0.00 61.98 59.03 1jqg s VAL 36 Cb -0.19 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1jqg s VAL 36 CO 0.20 0.12 1.04 -0.70 -3.33 0.00 0.00 175.10 172.43 1jqg s GLU 37 N 0.24 3.78 0.37 1.54 2.12 -1.26 -0.44 118.70 125.04 1jqg s GLU 37 Ca -0.02 0.59 0.20 0.00 0.36 0.00 0.00 54.97 56.09 1jqg s GLU 37 Cb -0.05 -3.86 0.37 0.00 0.26 0.00 0.00 34.13 30.85 1jqg s GLU 37 CO -0.00 -1.17 1.59 0.78 -0.54 0.00 0.00 175.26 175.92 1jqg h GLY 38 N 10.64 0.00 0.00 -1.50 0.00 -1.39 -3.48 103.07 107.33 1jqg h GLY 38 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1jqg h GLY 38 CO 1.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.21 1jqg n GLY 39 N 0.91 -0.52 3.29 4.60 0.00 -1.19 -4.81 105.19 107.48 1jqg n GLY 39 Ca 0.02 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1jqg n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jqg s LYS 40 N -1.39 1.84 1.01 1.61 -0.14 -1.26 -1.41 119.74 120.00 1jqg s LYS 40 Ca 0.00 -0.94 -0.15 0.00 -1.36 0.00 0.00 55.97 53.52 1jqg s LYS 40 Cb 0.00 -1.86 0.20 0.00 -1.68 0.00 0.00 37.83 34.49 1jqg s LYS 40 CO 0.00 0.50 1.16 -1.54 -0.76 0.00 0.00 175.35 174.70 1jqg s SER 41 N -0.82 2.60 0.21 2.83 1.04 0.89 -4.69 113.70 115.76 1jqg s SER 41 Ca 0.10 0.78 -0.10 0.00 0.48 0.00 0.00 55.95 57.21 1jqg s SER 41 Cb -0.09 -1.18 0.29 0.00 0.10 0.00 0.00 66.02 65.13 1jqg s SER 41 CO 0.00 -3.10 1.72 0.15 0.98 0.00 0.00 173.24 172.99 1jqg h PHE 42 N -1.88 0.25 -0.09 5.02 3.57 -1.95 0.70 116.94 122.58 1jqg h PHE 42 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1jqg h PHE 42 Cb 1.31 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1jqg h PHE 42 CO -0.62 0.00 0.00 0.39 -2.23 0.00 0.00 178.31 175.85 1jqg n GLU 43 N -5.09 1.20 -0.23 1.11 1.02 -1.26 -4.87 120.64 112.52 1jqg n GLU 43 Ca 0.09 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1jqg n GLU 43 Cb 0.31 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1jqg n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jqg n GLY 44 N 0.64 0.65 3.75 0.62 0.00 0.24 -5.05 105.19 106.04 1jqg n GLY 44 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1jqg n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jqg s ARG 45 N -0.74 4.43 0.02 1.61 0.52 -1.26 -4.50 118.95 119.03 1jqg s ARG 45 Ca 0.00 2.05 -0.30 0.00 -0.52 0.00 0.00 55.73 56.96 1jqg s ARG 45 Cb 0.00 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.25 1jqg s ARG 45 CO 0.00 -0.14 1.51 0.45 0.02 0.00 0.00 175.30 177.13 1jqg s SER 46 N -0.12 6.75 -0.34 0.23 0.15 -1.26 -0.07 113.70 119.03 1jqg s SER 46 Ca 0.52 2.24 -0.01 0.00 0.70 0.00 0.00 55.95 59.40 1jqg s SER 46 Cb -0.36 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.46 1jqg s SER 46 CO 0.43 -0.79 0.07 -0.51 1.20 0.00 0.00 173.24 173.64 1jqg s ILE 47 N 2.63 2.95 0.23 6.45 2.07 -0.50 -4.92 121.20 130.10 1jqg s ILE 47 Ca 0.68 -1.76 0.10 0.00 -1.41 0.00 0.00 60.65 58.25 1jqg s ILE 47 Cb -0.34 -2.88 -0.04 0.00 0.13 0.00 0.00 42.46 39.32 1jqg s ILE 47 CO 0.28 -0.37 -0.10 -1.59 -1.91 0.00 0.00 174.94 171.25 1jqg s LYS 48 N 1.16 2.01 0.18 3.50 -2.85 -1.26 -0.96 119.74 121.52 1jqg s LYS 48 Ca 0.02 -1.43 -0.02 0.00 -1.00 0.00 0.00 55.97 53.54 1jqg s LYS 48 Cb -0.21 -2.06 -0.04 0.00 -2.06 0.00 0.00 37.83 33.46 1jqg s LYS 48 CO -0.03 0.39 0.12 1.52 0.10 0.00 0.00 175.35 177.45 1jqg s TYR 49 N -2.03 1.02 0.09 1.78 -0.85 0.41 -4.61 117.35 113.17 1jqg s TYR 49 Ca 0.27 -1.30 0.03 0.00 -0.52 0.00 0.00 57.07 55.56 1jqg s TYR 49 Cb -0.07 -0.50 -0.04 0.00 0.38 0.00 0.00 41.96 41.73 1jqg s TYR 49 CO 0.16 -0.62 0.10 -0.51 -1.52 0.00 0.00 175.55 173.16 1jqg s LEU 50 N -3.12 3.85 -0.39 -3.49 1.43 -0.13 -1.32 118.68 115.52 1jqg s LEU 50 Ca 0.33 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1jqg s LEU 50 Cb 0.07 -2.51 0.11 0.00 0.03 0.00 0.00 46.19 43.89 1jqg s LEU 50 CO 0.09 0.15 0.13 -0.13 0.23 0.00 0.00 176.35 176.81 1jqg s ARG 51 N -2.54 1.46 -0.23 1.70 0.52 -0.44 -1.84 118.95 117.58 1jqg s ARG 51 Ca 0.30 -1.94 -0.19 0.00 -0.52 0.00 0.00 55.73 53.37 1jqg s ARG 51 Cb -0.12 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1jqg s ARG 51 CO 0.23 -1.01 0.58 0.42 0.02 0.00 0.00 175.30 175.54 1jqg s ILE 52 N 0.68 5.04 -0.25 1.52 1.01 -0.30 -2.85 121.20 126.04 1jqg s ILE 52 Ca 0.13 1.05 -0.26 0.00 0.00 0.00 0.00 60.65 61.57 1jqg s ILE 52 Cb -0.21 -3.89 0.10 0.00 0.01 0.00 0.00 42.46 38.47 1jqg s ILE 52 CO -0.08 0.09 0.90 -0.55 0.00 0.00 0.00 174.94 175.31 1jqg s SER 53 N 1.35 -0.55 0.19 3.58 0.15 0.17 -1.22 113.70 117.36 1jqg s SER 53 Ca 0.25 1.00 0.23 0.00 0.70 0.00 0.00 55.95 58.14 1jqg s SER 53 Cb -0.16 0.99 0.22 0.00 -1.71 0.00 0.00 66.02 65.37 1jqg s SER 53 CO 0.09 -0.23 1.25 0.71 1.20 0.00 0.00 173.24 176.26 1jqg h THR 54 N 3.59 0.00 -0.30 6.45 1.35 -1.80 -3.27 112.91 118.93 1jqg h THR 54 Ca -0.27 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1jqg h THR 54 Cb 1.17 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1jqg h THR 54 CO 0.13 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.75 1jqg n THR 55 N -2.44 1.84 -4.09 6.82 -2.24 -1.26 -4.96 114.28 107.95 1jqg n THR 55 Ca 0.02 -1.56 -0.31 0.00 -2.27 0.00 0.00 64.05 59.93 1jqg n THR 55 Cb 0.49 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1jqg n THR 55 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jqg n ASN 55 N -0.13 -2.12 -1.93 3.42 5.15 -1.23 -1.09 115.26 117.33 1jqg n ASN 55 Ca 0.18 -1.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.02 1jqg n ASN 55 Cb 0.73 -2.95 -0.03 0.00 -0.53 0.00 0.00 39.78 37.00 1jqg n ASN 55 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jqg n PHE 55 N -4.42 -0.81 -0.03 1.20 3.01 -1.26 -4.84 117.46 110.30 1jqg n PHE 55 Ca -0.09 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.20 1jqg n PHE 55 Cb 0.58 -2.91 -0.14 0.00 -0.01 0.00 0.00 39.48 37.00 1jqg n PHE 55 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1jqg n GLN 55 N -2.42 0.71 -2.77 -1.08 1.13 -0.25 -4.75 117.38 107.96 1jqg n GLN 55 Ca -0.16 0.24 -0.42 0.00 -1.94 0.00 0.00 57.00 54.71 1jqg n GLN 55 Cb 0.56 -1.69 -0.04 0.00 0.11 0.00 0.00 30.24 29.18 1jqg n GLN 55 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jqg s ASP 56 N -6.64 6.24 0.00 1.08 3.68 -1.26 -4.89 116.67 114.88 1jqg s ASP 56 Ca -0.19 -0.61 0.18 0.00 2.13 0.00 0.00 52.55 54.06 1jqg s ASP 56 Cb 0.07 -2.46 0.86 0.00 -1.45 0.00 0.00 42.92 39.94 1jqg s ASP 56 CO 0.76 -1.46 1.55 0.00 0.13 0.00 0.00 175.17 176.16 1jqg n ALA 57 N 8.01 1.91 0.20 3.66 0.00 -1.26 -2.57 120.51 130.47 1jqg n ALA 57 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1jqg n ALA 57 Cb 0.47 -1.29 0.38 0.00 0.00 0.00 0.00 19.45 19.01 1jqg n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jqg h SER 58 N 0.00 0.00 -3.53 0.00 4.64 -2.00 -3.44 113.55 109.23 1jqg h SER 58 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1jqg h SER 58 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1jqg h SER 58 CO 0.00 0.30 0.42 -0.54 -0.87 0.00 0.00 176.83 176.14 1jqg s LYS 59 N -3.60 4.63 0.60 4.77 1.02 -1.06 -5.04 119.74 121.05 1jqg s LYS 59 Ca 0.01 1.58 -0.17 0.00 0.02 0.00 0.00 55.97 57.41 1jqg s LYS 59 Cb 0.10 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1jqg s LYS 59 CO 0.66 0.11 1.09 -1.25 -0.92 0.00 0.00 175.35 175.04 1jqg s PRO 60 N 0.00 3.19 -0.12 -1.68 0.04 -1.26 -4.76 135.00 130.40 1jqg s PRO 60 Ca 0.49 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1jqg s PRO 60 Cb -0.26 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1jqg s PRO 60 CO 0.32 -0.94 -0.02 0.08 0.04 0.00 0.00 177.00 176.48 1jqg s VAL 61 N -2.23 4.11 -0.27 -0.36 1.01 -0.56 -1.49 120.40 120.63 1jqg s VAL 61 Ca 0.67 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1jqg s VAL 61 Cb -0.19 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1jqg s VAL 61 CO 0.35 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 175.24 1jqg s VAL 62 N -0.20 2.72 0.01 2.92 1.01 -0.44 0.10 120.40 126.52 1jqg s VAL 62 Ca 0.05 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.64 1jqg s VAL 62 Cb -0.13 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1jqg s VAL 62 CO 0.02 0.05 0.31 -0.32 0.00 0.00 0.00 175.10 175.17 1jqg s MET 63 N 1.25 3.68 -0.02 2.72 1.75 0.45 -1.84 119.30 127.28 1jqg s MET 63 Ca -0.04 0.08 -0.02 0.00 -1.25 0.00 0.00 55.69 54.46 1jqg s MET 63 Cb -0.18 -3.10 0.01 0.00 2.84 0.00 0.00 34.83 34.39 1jqg s MET 63 CO -0.04 0.65 0.07 1.41 -0.65 0.00 0.00 175.02 176.46 1jqg s MET 64 N -1.56 0.07 0.07 4.11 0.00 0.29 -1.46 119.30 120.82 1jqg s MET 64 Ca 0.26 0.10 -0.08 0.00 0.00 0.00 0.00 55.69 55.97 1jqg s MET 64 Cb -0.14 0.02 -0.00 0.00 0.00 0.00 0.00 34.83 34.71 1jqg s MET 64 CO 0.14 -0.02 0.17 1.14 0.00 0.00 0.00 175.02 176.46 1jqg s GLN 65 N 0.09 0.77 0.21 4.11 -2.07 -0.72 -1.23 119.66 120.82 1jqg s GLN 65 Ca -0.00 -0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 52.56 1jqg s GLN 65 Cb -0.01 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 32.21 1jqg s GLN 65 CO -0.00 -0.23 0.38 -1.54 -1.32 0.00 0.00 175.29 172.57 1jqg s SER 66 N -2.59 -0.03 -1.32 12.60 1.04 -0.87 -1.41 113.70 121.11 1jqg s SER 66 Ca 0.02 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1jqg s SER 66 Cb 0.03 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1jqg s SER 66 CO -0.08 -1.01 0.00 0.18 0.98 0.00 0.00 173.24 173.30 1jqg n LEU 67 N -0.31 -1.55 -0.16 2.42 4.77 -1.26 -1.90 117.00 119.01 1jqg n LEU 67 Ca -0.04 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1jqg n LEU 67 Cb 0.63 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 1jqg n LEU 67 CO 0.24 -0.28 0.92 0.25 -1.33 0.00 0.00 177.39 177.19 1jqg h LEU 68 N 0.00 0.66 -8.09 2.23 5.85 -1.89 -2.91 115.31 111.16 1jqg h LEU 68 Ca -0.34 -0.19 -0.75 0.00 0.84 0.00 0.00 57.88 57.44 1jqg h LEU 68 Cb 1.20 -0.17 -0.23 0.00 0.37 0.00 0.00 40.66 41.82 1jqg h LEU 68 CO 0.42 0.68 -0.14 -1.00 -0.34 0.00 0.00 178.44 178.06 1jqg s HIS 69 N -5.46 3.22 0.64 1.25 3.76 -1.26 -4.64 115.29 112.80 1jqg s HIS 69 Ca -0.13 -1.26 0.27 0.00 -0.15 0.00 0.00 55.06 53.79 1jqg s HIS 69 Cb 0.11 -3.84 1.41 0.00 1.11 0.00 0.00 32.58 31.36 1jqg s HIS 69 CO 0.77 -1.07 1.80 0.00 -0.85 0.00 0.00 174.74 175.40 1jqg n ARG 71 N -3.11 0.11 -2.12 0.00 1.85 -0.97 -4.40 116.66 108.02 1jqg n ARG 71 Ca 0.02 0.06 -0.42 0.00 -1.00 0.00 0.00 57.85 56.51 1jqg n ARG 71 Cb 0.56 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1jqg n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1jqg n GLU 72 N -1.77 3.24 0.12 2.89 1.02 -0.23 -4.79 120.64 121.11 1jqg n GLU 72 Ca 0.06 -3.12 0.03 0.00 -0.02 0.00 0.00 57.16 54.11 1jqg n GLU 72 Cb 0.38 -3.13 0.43 0.00 -0.02 0.00 0.00 31.44 29.09 1jqg n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1jqg h TRP 73 N 6.07 0.26 0.00 -0.32 4.06 -1.79 -2.54 115.95 121.69 1jqg h TRP 73 Ca 0.47 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.40 1jqg h TRP 73 Cb 0.67 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1jqg h TRP 73 CO 1.35 0.31 0.00 1.55 -3.56 0.00 0.00 178.44 178.09 1jqg n VAL 74 N -4.34 1.36 0.10 1.49 3.14 -1.26 -2.46 118.33 116.35 1jqg n VAL 74 Ca -0.00 0.34 -0.03 0.00 -2.96 0.00 0.00 64.34 61.68 1jqg n VAL 74 Cb 0.21 -1.21 0.01 0.00 -1.06 0.00 0.00 33.84 31.79 1jqg n VAL 74 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1jqg h THR 75 N 0.00 1.48 -0.14 1.55 1.35 -1.79 -3.35 112.91 112.02 1jqg h THR 75 Ca 0.00 -2.81 -0.02 0.00 -0.55 0.00 0.00 66.41 63.03 1jqg h THR 75 Cb 0.12 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 1jqg h THR 75 CO 0.00 0.78 -0.00 0.25 -0.25 0.00 0.00 175.52 176.30 1jqg h LEU 76 N 0.00 0.25 -0.93 3.87 5.85 -1.69 -2.95 115.31 119.71 1jqg h LEU 76 Ca -0.01 -0.32 0.18 0.00 0.84 0.00 0.00 57.88 58.58 1jqg h LEU 76 Cb 1.49 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.34 1jqg h LEU 76 CO 0.10 0.51 0.51 -0.65 -0.34 0.00 0.00 178.44 178.57 1jqg h PRO 77 N -0.01 0.62 -0.35 5.25 0.11 -1.75 0.28 132.00 136.16 1jqg h PRO 77 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1jqg h PRO 77 Cb 0.38 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1jqg h PRO 77 CO 0.01 0.41 0.20 0.00 -0.21 0.00 0.00 178.00 178.41 1jqg h ALA 78 N 1.63 0.44 0.00 -0.75 0.00 -1.65 -1.24 119.26 117.70 1jqg h ALA 78 Ca 0.54 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 1jqg h ALA 78 Cb 0.85 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1jqg h ALA 78 CO -0.41 -0.04 -0.36 0.00 0.00 0.00 0.00 179.25 178.45 1jqg h THR 79 N 0.44 0.77 0.00 0.00 1.03 -1.20 -2.89 112.91 111.06 1jqg h THR 79 Ca 0.12 -1.56 -0.17 0.00 -0.01 0.00 0.00 66.41 64.79 1jqg h THR 79 Cb 0.05 2.00 -0.02 0.00 -1.07 0.00 0.00 68.15 69.10 1jqg h THR 79 CO -0.02 0.35 -0.83 -0.07 -0.01 0.00 0.00 175.52 174.94 1jqg h LEU 80 N 0.00 0.00 -0.32 0.00 4.07 -0.87 -3.12 115.31 115.07 1jqg h LEU 80 Ca -0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 1jqg h LEU 80 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1jqg h LEU 80 CO 0.05 0.83 -0.66 0.22 -1.08 0.00 0.00 178.44 177.79 1jqg h TYR 81 N 0.00 0.90 -0.89 1.13 3.20 -1.03 -2.27 116.97 118.02 1jqg h TYR 81 Ca -0.01 -0.36 0.04 0.00 3.14 0.00 0.00 58.73 61.54 1jqg h TYR 81 Cb 1.50 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 1jqg h TYR 81 CO 0.00 1.16 0.59 0.00 -1.64 0.00 0.00 178.16 178.26 1jqg h ALA 82 N 0.75 1.44 -0.56 1.82 0.00 -1.51 -0.17 119.26 121.04 1jqg h ALA 82 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1jqg h ALA 82 Cb 1.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1jqg h ALA 82 CO 0.13 0.47 0.04 0.82 0.00 0.00 0.00 179.25 180.71 1jqg h ILE 83 N 1.11 1.25 -0.42 0.00 2.04 -1.48 -2.32 117.51 117.68 1jqg h ILE 83 Ca 0.36 -1.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.09 1jqg h ILE 83 Cb 0.03 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1jqg h ILE 83 CO -0.11 0.38 -0.07 -0.74 0.00 0.00 0.00 178.15 177.61 1jqg h HIS 84 N 0.88 0.89 0.00 1.37 2.76 -0.50 -0.69 115.15 119.85 1jqg h HIS 84 Ca 0.17 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 1jqg h HIS 84 Cb 0.46 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1jqg h HIS 84 CO 0.03 0.90 -0.29 0.87 -1.30 0.00 0.00 177.93 178.13 1jqg h LYS 85 N 0.62 0.00 0.00 5.26 1.79 -1.14 0.21 116.57 123.32 1jqg h LYS 85 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1jqg h LYS 85 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1jqg h LYS 85 CO 0.04 0.29 -0.84 -0.07 -1.08 0.00 0.00 179.45 177.78 1jqg h LEU 86 N 0.00 0.00 0.00 2.94 3.38 -1.34 -3.28 115.31 117.01 1jqg h LEU 86 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jqg h LEU 86 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1jqg h LEU 86 CO 0.04 0.03 -0.02 0.52 0.09 0.00 0.00 178.44 179.10 1jqg n VAL 87 N -2.55 1.08 0.06 1.22 0.31 -0.27 -4.86 118.33 113.32 1jqg n VAL 87 Ca 0.01 0.36 -0.09 0.00 -0.01 0.00 0.00 64.34 64.61 1jqg n VAL 87 Cb 0.52 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.92 1jqg n VAL 87 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1jqg h ILE 88 N 0.00 0.63 -2.69 2.52 1.08 -1.41 -3.41 117.51 114.22 1jqg h ILE 88 Ca 0.00 -1.07 -0.62 0.00 -0.39 0.00 0.00 64.86 62.78 1jqg h ILE 88 Cb 0.02 1.07 -0.42 0.00 -3.07 0.00 0.00 36.82 34.43 1jqg h ILE 88 CO 0.00 0.17 -0.54 -0.67 -0.69 0.00 0.00 178.15 176.42 1jqg n ASP 89 N -4.94 3.47 -4.55 1.72 4.64 0.66 -5.03 116.55 112.52 1jqg n ASP 89 Ca -0.07 -3.32 -0.41 0.00 -1.38 0.00 0.00 54.79 49.61 1jqg n ASP 89 Cb 0.24 -0.74 -0.03 0.00 -1.04 0.00 0.00 41.12 39.55 1jqg n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1jqg s VAL 90 N -1.95 3.78 -1.22 5.18 1.01 -1.24 -4.38 120.40 121.58 1jqg s VAL 90 Ca 0.32 -0.03 0.22 0.00 0.00 0.00 0.00 61.98 62.49 1jqg s VAL 90 Cb 0.04 -4.92 -0.13 0.00 0.00 0.00 0.00 36.38 31.37 1jqg s VAL 90 CO -0.09 -1.84 1.04 0.35 0.00 0.00 0.00 175.10 174.55 1jqg n THR 91 N 6.62 0.00 -3.76 3.92 -2.24 -1.26 -4.77 114.28 112.79 1jqg n THR 91 Ca 0.15 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 1jqg n THR 91 Cb 0.50 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.49 1jqg n THR 91 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jqg s GLU 92 N -2.88 0.91 0.43 -0.78 2.02 -1.26 -5.00 118.70 112.13 1jqg s GLU 92 Ca 0.11 -1.36 0.21 0.00 0.02 0.00 0.00 54.97 53.95 1jqg s GLU 92 Cb 0.17 -2.19 0.94 0.00 0.10 0.00 0.00 34.13 33.15 1jqg s GLU 92 CO 0.78 -1.02 1.86 0.66 0.02 0.00 0.00 175.26 177.55 1jqg h SER 93 N 7.74 0.00 -0.18 -0.19 4.64 -1.98 -2.92 113.55 120.67 1jqg h SER 93 Ca -0.10 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1jqg h SER 93 Cb 1.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 1jqg h SER 93 CO 0.48 0.28 -0.00 -2.24 -0.87 0.00 0.00 176.83 174.48 1jqg h ASP 98 N 0.00 0.40 0.69 4.97 2.03 -1.99 -1.77 116.42 120.75 1jqg h ASP 98 Ca -0.00 -0.07 -0.09 0.00 -0.73 0.00 0.00 57.03 56.14 1jqg h ASP 98 Cb 0.68 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.06 1jqg h ASP 98 CO 0.04 0.47 -0.42 -0.07 -1.03 0.00 0.00 179.24 178.23 1jqg h LEU 99 N 0.42 0.00 0.03 0.15 3.38 -1.91 -2.29 115.31 115.09 1jqg h LEU 99 Ca 0.09 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.71 1jqg h LEU 99 Cb 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1jqg h LEU 99 CO 0.01 0.42 -2.12 2.30 0.09 0.00 0.00 178.44 179.13 1jqg n ILE 100 N -3.69 1.57 -0.06 1.22 -5.35 -1.12 -3.87 119.36 108.06 1jqg n ILE 100 Ca -0.01 -0.73 -0.14 0.00 -0.27 0.00 0.00 62.75 61.60 1jqg n ILE 100 Cb 0.50 -1.16 -0.07 0.00 -1.74 0.00 0.00 39.64 37.18 1jqg n ILE 100 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1jqg h ASN 101 N 0.02 0.59 0.17 7.28 2.35 -1.35 -3.36 115.58 121.29 1jqg h ASN 101 Ca -0.45 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 54.76 1jqg h ASN 101 Cb 2.05 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1jqg h ASN 101 CO 0.03 1.02 -0.49 0.59 -1.65 0.00 0.00 177.43 176.93 1jqg n ASN 102 N -4.34 1.23 -4.03 5.81 3.02 -0.86 -4.91 115.26 111.18 1jqg n ASN 102 Ca -0.06 -0.99 -0.22 0.00 -0.03 0.00 0.00 54.58 53.28 1jqg n ASN 102 Cb 0.48 0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 39.90 1jqg n ASN 102 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jqg s ILE 103 N -2.66 0.95 -0.15 2.41 1.01 -1.25 -4.22 121.20 117.29 1jqg s ILE 103 Ca 0.18 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 1jqg s ILE 103 Cb 0.18 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 1jqg s ILE 103 CO 0.63 0.29 0.31 -1.81 0.00 0.00 0.00 174.94 174.36 1jqg s ASP 104 N 0.20 6.48 0.05 3.58 1.01 -0.55 -4.59 116.67 122.84 1jqg s ASP 104 Ca -0.04 0.56 0.08 0.00 0.71 0.00 0.00 52.55 53.86 1jqg s ASP 104 Cb -0.10 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 1jqg s ASP 104 CO 0.01 0.10 -0.22 0.26 0.21 0.00 0.00 175.17 175.53 1jqg s TRP 105 N 0.39 2.44 -0.13 4.23 0.52 -0.36 -1.32 118.94 124.70 1jqg s TRP 105 Ca 0.18 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 55.97 1jqg s TRP 105 Cb -0.13 -1.41 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 1jqg s TRP 105 CO 0.05 0.21 -0.13 0.42 0.02 0.00 0.00 176.95 177.52 1jqg s ILE 106 N -0.90 1.43 -0.10 2.03 1.01 -0.77 -1.15 121.20 122.75 1jqg s ILE 106 Ca 0.14 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1jqg s ILE 106 Cb -0.10 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1jqg s ILE 106 CO 0.04 0.43 -0.11 -0.63 0.00 0.00 0.00 174.94 174.67 1jqg s ILE 107 N 1.42 1.23 -0.44 2.92 1.01 -0.77 -0.54 121.20 126.04 1jqg s ILE 107 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1jqg s ILE 107 Cb -0.13 -1.17 0.12 0.00 0.01 0.00 0.00 42.46 41.29 1jqg s ILE 107 CO -0.08 0.39 0.20 -0.22 0.00 0.00 0.00 174.94 175.23 1jqg s LEU 108 N 1.22 4.90 0.07 2.97 2.96 -0.36 -0.95 118.68 129.49 1jqg s LEU 108 Ca -0.03 -2.40 -0.35 0.00 -0.22 0.00 0.00 54.13 51.13 1jqg s LEU 108 Cb -0.14 -1.73 -0.19 0.00 0.50 0.00 0.00 46.19 44.63 1jqg s LEU 108 CO -0.04 -0.40 1.60 -0.65 -1.32 0.00 0.00 176.35 175.54 1jqg h PRO 109 N 7.43 -1.06 -3.78 0.98 0.11 -1.85 -2.32 132.00 131.51 1jqg h PRO 109 Ca -0.07 0.07 -0.70 0.00 0.11 0.00 0.00 66.00 65.41 1jqg h PRO 109 Cb 0.99 0.24 -0.35 0.00 0.11 0.00 0.00 31.00 31.99 1jqg h PRO 109 CO 0.64 -0.71 -0.40 0.08 -0.21 0.00 0.00 178.00 177.40 1jqg s VAL 110 N -6.01 3.64 -0.53 3.15 1.01 -1.26 -4.04 120.40 116.36 1jqg s VAL 110 Ca -0.19 -2.77 0.25 0.00 0.00 0.00 0.00 61.98 59.28 1jqg s VAL 110 Cb 0.03 -3.40 0.31 0.00 0.00 0.00 0.00 36.38 33.32 1jqg s VAL 110 CO 0.61 -0.84 1.73 0.00 0.00 0.00 0.00 175.10 176.60 1jqg h ALA 111 N 7.25 1.00 -2.10 5.51 0.00 -1.52 -3.37 119.26 126.03 1jqg h ALA 111 Ca -0.04 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.30 1jqg h ALA 111 Cb 0.97 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.37 1jqg h ALA 111 CO 0.71 0.00 -0.96 -1.71 0.00 0.00 0.00 179.25 177.29 1jqg n ASN 112 N -2.64 1.03 -0.22 0.00 4.05 -1.10 -4.86 115.26 111.52 1jqg n ASN 112 Ca 0.04 -2.85 -0.06 0.00 0.45 0.00 0.00 54.58 52.16 1jqg n ASN 112 Cb 0.44 -0.64 0.04 0.00 1.23 0.00 0.00 39.78 40.84 1jqg n ASN 112 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1jqg h PRO 113 N 4.21 0.82 -0.44 1.20 0.13 -1.88 -1.61 132.00 134.43 1jqg h PRO 113 Ca 0.12 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1jqg h PRO 113 Cb 0.83 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.74 1jqg h PRO 113 CO 0.55 0.57 0.23 -0.44 -0.23 0.00 0.00 178.00 178.68 1jqg h ASP 114 N 0.83 0.34 -0.25 1.44 3.32 -1.95 -1.22 116.42 118.93 1jqg h ASP 114 Ca 0.22 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1jqg h ASP 114 Cb -0.06 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1jqg h ASP 114 CO -0.04 0.24 -0.20 1.23 -1.72 0.00 0.00 179.24 178.75 1jqg h GLY 115 N 0.46 0.63 0.65 2.75 0.00 -1.75 -2.40 103.07 103.41 1jqg h GLY 115 Ca 0.19 -0.61 0.08 0.00 0.00 0.00 0.00 47.33 46.98 1jqg h GLY 115 CO -0.12 0.56 0.60 -1.82 0.00 0.00 0.00 176.54 175.75 1jqg h TYR 116 N 0.29 1.11 -0.14 5.60 3.20 -1.15 0.32 116.97 126.20 1jqg h TYR 116 Ca 0.05 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 1jqg h TYR 116 Cb 0.74 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1jqg h TYR 116 CO 0.07 0.53 -0.58 0.28 -1.64 0.00 0.00 178.16 176.82 1jqg h VAL 117 N 1.05 1.34 -0.32 1.81 2.07 -1.19 -2.80 116.25 118.22 1jqg h VAL 117 Ca 0.43 -1.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.96 1jqg h VAL 117 Cb 0.26 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1jqg h VAL 117 CO -0.20 0.57 -0.29 -0.74 0.02 0.00 0.00 177.57 176.93 1jqg h HIS 118 N 0.35 0.76 0.00 1.57 -0.00 -0.87 -2.53 115.15 114.44 1jqg h HIS 118 Ca -0.00 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.13 1jqg h HIS 118 Cb 1.11 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 1jqg h HIS 118 CO 0.04 0.88 -0.23 1.79 -0.00 0.00 0.00 177.93 180.41 1jqg h THR 119 N 0.57 0.58 -0.02 6.26 1.35 -0.82 -3.08 112.91 117.75 1jqg h THR 119 Ca 0.07 -1.11 -0.15 0.00 -0.55 0.00 0.00 66.41 64.68 1jqg h THR 119 Cb 0.79 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 1jqg h THR 119 CO 0.06 0.22 -0.67 -0.26 -0.25 0.00 0.00 175.52 174.63 1jqg h PHE 120 N 0.00 0.14 -2.16 4.73 0.04 -1.19 -3.35 116.94 115.16 1jqg h PHE 120 Ca -0.00 -0.06 -0.55 0.00 2.80 0.00 0.00 57.97 60.16 1jqg h PHE 120 Cb 0.73 -0.02 -0.36 0.00 2.20 0.00 0.00 35.95 38.49 1jqg h PHE 120 CO 0.00 0.74 -0.97 0.41 -0.60 0.00 0.00 178.31 177.89 1jqg n GLY 121 N 0.39 2.06 0.00 -1.45 0.00 -1.18 -5.06 105.19 99.96 1jqg n GLY 121 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1jqg n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jqg n GLY 122 N 2.54 0.07 3.56 -0.02 0.00 -1.17 -4.88 105.19 105.29 1jqg n GLY 122 Ca 0.27 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1jqg n GLY 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jqg s ASP 123 N -4.00 5.56 0.31 1.61 3.68 -1.17 -4.82 116.67 117.84 1jqg s ASP 123 Ca 0.00 -0.60 0.04 0.00 2.13 0.00 0.00 52.55 54.12 1jqg s ASP 123 Cb 0.00 -2.56 0.65 0.00 -1.45 0.00 0.00 42.92 39.57 1jqg s ASP 123 CO 0.00 -2.31 1.85 -0.09 0.13 0.00 0.00 175.17 174.75 1jqg h ARG 124 N 11.65 0.86 -0.66 4.34 9.65 -1.81 -2.20 114.38 136.20 1jqg h ARG 124 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1jqg h ARG 124 Cb 1.05 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1jqg h ARG 124 CO 1.27 0.57 0.00 0.66 2.80 0.00 0.00 179.97 185.26 1jqg n TYR 125 N -4.60 1.33 -2.27 2.20 0.53 -1.26 -4.66 117.16 108.41 1jqg n TYR 125 Ca 0.18 -0.48 -0.40 0.00 -1.02 0.00 0.00 57.90 56.18 1jqg n TYR 125 Cb 0.40 -0.31 -0.03 0.00 -1.03 0.00 0.00 39.34 38.37 1jqg n TYR 125 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 1jqg s TRP 126 N -2.05 3.24 0.00 -0.72 -0.11 -0.83 -4.92 118.94 113.55 1jqg s TRP 126 Ca 0.38 1.54 0.00 0.00 1.22 0.00 0.00 56.10 59.25 1jqg s TRP 126 Cb 0.27 -3.49 0.00 0.00 -1.50 0.00 0.00 33.47 28.75 1jqg s TRP 126 CO 0.14 -1.30 0.00 2.89 -4.62 0.00 0.00 176.95 174.07 1jqg n ARG 127 N 0.81 2.42 -2.06 5.86 1.85 -1.26 -2.29 116.66 121.99 1jqg n ARG 127 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.57 1jqg n ARG 127 Cb 0.44 -0.84 0.18 0.00 -1.05 0.00 0.00 32.46 31.19 1jqg n ARG 127 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1jqg s LYS 128 N -1.55 0.70 0.00 2.89 1.02 -1.26 -3.36 119.74 118.17 1jqg s LYS 128 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1jqg s LYS 128 Cb 0.00 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1jqg s LYS 128 CO 0.00 -2.32 0.00 0.27 -0.92 0.00 0.00 175.35 172.38 1jqg n ASN 129 N -3.64 0.00 -2.16 2.83 6.94 -0.75 -4.47 115.26 114.01 1jqg n ASN 129 Ca 0.16 -0.59 -0.26 0.00 -0.02 0.00 0.00 54.58 53.87 1jqg n ASN 129 Cb 0.59 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.04 1jqg n ASN 129 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1jqg n ARG 130 N -0.59 3.44 -2.66 -3.83 5.12 -1.26 -4.27 116.66 112.61 1jqg n ARG 130 Ca 0.00 -4.08 -0.42 0.00 -1.93 0.00 0.00 57.85 51.43 1jqg n ARG 130 Cb 0.00 -2.28 -0.04 0.00 -1.16 0.00 0.00 32.46 28.99 1jqg n ARG 130 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jqg s ALA 131 N -3.64 3.24 0.22 7.54 0.00 -1.26 -4.79 121.76 123.08 1jqg s ALA 131 Ca 0.53 0.62 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1jqg s ALA 131 Cb 0.42 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 20.24 1jqg s ALA 131 CO -0.01 -0.17 0.23 0.25 0.00 0.00 0.00 175.76 176.06 1jqg n THR 132 N 3.31 0.00 -1.08 0.00 -2.24 -1.26 -1.39 114.28 111.62 1jqg n THR 132 Ca 0.05 -0.83 -0.03 0.00 -2.27 0.00 0.00 64.05 60.97 1jqg n THR 132 Cb 0.49 -0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.18 1jqg n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jqg n GLY 133 N 2.28 0.61 0.37 3.38 0.00 -1.26 -4.90 105.19 105.66 1jqg n GLY 133 Ca 0.02 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.23 1jqg n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jqg n TYR 133 N -2.90 0.00 -3.53 1.61 4.02 -1.26 -5.01 117.16 110.08 1jqg n TYR 133 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 1jqg n TYR 133 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1jqg n TYR 133 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1jqg s MET 133 N -0.81 0.91 -0.04 -0.72 0.00 -1.26 -4.93 119.30 112.44 1jqg s MET 133 Ca 0.11 0.17 -0.31 0.00 0.00 0.00 0.00 55.69 55.66 1jqg s MET 133 Cb 0.08 0.43 -0.10 0.00 0.00 0.00 0.00 34.83 35.24 1jqg s MET 133 CO 0.12 -0.29 1.98 0.00 0.00 0.00 0.00 175.02 176.83 1jqg n ALA 134 N 0.76 1.37 -0.92 4.11 0.00 -1.26 -0.62 120.51 123.95 1jqg n ALA 134 Ca -0.16 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1jqg n ALA 134 Cb 0.58 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1jqg n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jqg n GLY 135 N 4.71 0.54 3.84 0.00 0.00 -1.26 -3.43 105.19 109.60 1jqg n GLY 135 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1jqg n GLY 135 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jqg n ASN 136 N -0.13 -2.60 -0.14 1.61 5.03 0.21 -4.88 115.26 114.36 1jqg n ASN 136 Ca 0.00 -0.84 -0.04 0.00 0.87 0.00 0.00 54.58 54.57 1jqg n ASN 136 Cb 0.07 -3.80 0.05 0.00 -1.02 0.00 0.00 39.78 35.07 1jqg n ASN 136 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1jqg h LEU 137 N -1.94 0.15 -8.84 3.41 5.85 -1.76 -3.40 115.31 108.77 1jqg h LEU 137 Ca -0.60 0.06 -0.69 0.00 0.84 0.00 0.00 57.88 57.48 1jqg h LEU 137 Cb 1.37 0.04 -0.25 0.00 0.37 0.00 0.00 40.66 42.20 1jqg h LEU 137 CO 0.62 0.12 -0.83 0.00 -0.34 0.00 0.00 178.44 178.01 1jqg s MET 139 N -1.13 1.55 0.00 0.00 0.23 -1.26 -4.41 119.30 114.29 1jqg s MET 139 Ca 0.13 -1.41 0.00 0.00 -1.03 0.00 0.00 55.69 53.38 1jqg s MET 139 Cb -0.10 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.63 1jqg s MET 139 CO 0.03 -0.63 0.00 0.41 -2.03 0.00 0.00 175.02 172.80 1jqg n GLY 140 N -0.39 -1.68 3.30 3.16 0.00 -0.49 -4.89 105.19 104.19 1jqg n GLY 140 Ca -0.01 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1jqg n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jqg s VAL 141 N -3.09 2.06 -0.47 1.61 1.01 -1.26 -4.83 120.40 115.43 1jqg s VAL 141 Ca 0.00 -1.09 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 1jqg s VAL 141 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1jqg s VAL 141 CO 0.00 0.58 1.47 -0.62 0.00 0.00 0.00 175.10 176.53 1jqg s ASP 142 N -0.45 6.17 0.62 3.32 3.68 0.26 -1.81 116.67 128.45 1jqg s ASP 142 Ca 0.05 0.66 0.40 0.00 2.13 0.00 0.00 52.55 55.79 1jqg s ASP 142 Cb -0.11 -2.54 1.98 0.00 -1.45 0.00 0.00 42.92 40.80 1jqg s ASP 142 CO 0.01 -1.60 2.21 -0.07 0.13 0.00 0.00 175.17 175.85 1jqg h LEU 143 N 12.87 0.00 -1.28 -1.34 3.38 -1.85 -1.22 115.31 125.86 1jqg h LEU 143 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jqg h LEU 143 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1jqg h LEU 143 CO 1.12 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 176.45 1jqg n ASN 144 N -3.11 1.81 0.00 -0.43 5.15 -1.26 -2.70 115.26 114.71 1jqg n ASN 144 Ca -0.02 -2.13 0.00 0.00 -0.60 0.00 0.00 54.58 51.83 1jqg n ASN 144 Cb 0.17 -0.34 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 1jqg n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1jqg n ARG 145 N 0.19 0.12 -0.45 1.20 5.12 -0.47 -3.03 116.66 119.35 1jqg n ARG 145 Ca 0.08 -0.40 0.11 0.00 -1.93 0.00 0.00 57.85 55.71 1jqg n ARG 145 Cb 0.35 -0.67 0.33 0.00 -1.16 0.00 0.00 32.46 31.31 1jqg n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1jqg n ASN 146 N -0.06 4.18 -4.92 0.55 5.15 -1.10 -4.52 115.26 114.54 1jqg n ASN 146 Ca 0.00 -2.16 -0.27 0.00 -0.60 0.00 0.00 54.58 51.55 1jqg n ASN 146 Cb 0.25 -0.51 -0.03 0.00 -0.53 0.00 0.00 39.78 38.97 1jqg n ASN 146 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1jqg s PHE 147 N -1.30 3.48 -1.17 1.20 0.40 -0.33 -0.07 117.98 120.20 1jqg s PHE 147 Ca 0.48 0.43 0.18 0.00 -0.60 0.00 0.00 56.93 57.42 1jqg s PHE 147 Cb 0.27 -1.93 0.80 0.00 0.51 0.00 0.00 43.02 42.67 1jqg s PHE 147 CO 0.29 0.25 1.55 0.41 0.70 0.00 0.00 175.22 178.43 1jqg n GLY 148 N -1.04 -1.01 3.55 4.36 0.00 -1.26 -4.11 105.19 105.68 1jqg n GLY 148 Ca -0.04 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1jqg n GLY 148 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jqg s MET 149 N -2.83 3.26 -1.25 1.61 0.00 -1.26 -3.90 119.30 114.92 1jqg s MET 149 Ca 0.12 -0.39 -0.07 0.00 0.00 0.00 0.00 55.69 55.34 1jqg s MET 149 Cb 0.12 -4.39 0.01 0.00 0.00 0.00 0.00 34.83 30.56 1jqg s MET 149 CO 0.30 -2.17 1.09 0.09 0.00 0.00 0.00 175.02 174.33 1jqg n ASN 150 N 9.32 -5.66 -4.71 1.11 5.03 -1.26 -2.37 115.26 116.72 1jqg n ASN 150 Ca 0.09 -0.51 -0.40 0.00 0.87 0.00 0.00 54.58 54.62 1jqg n ASN 150 Cb 0.49 -4.74 0.02 0.00 -1.02 0.00 0.00 39.78 34.53 1jqg n ASN 150 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 1jqg n TRP 151 N -4.75 2.14 -0.91 3.10 -0.00 -1.25 -2.87 117.44 112.90 1jqg n TRP 151 Ca -0.02 0.48 0.00 0.00 -0.00 0.00 0.00 57.50 57.96 1jqg n TRP 151 Cb 0.57 -2.37 0.00 0.00 -0.00 0.00 0.00 31.31 29.51 1jqg n TRP 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1jqg n GLY 153 N 0.80 0.83 0.09 5.87 0.00 -1.26 -4.88 105.19 106.64 1jqg n GLY 153 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1jqg n GLY 153 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1jqg h THR 154 N 0.00 0.75 -1.80 2.61 1.35 -1.91 -3.40 112.91 110.52 1jqg h THR 154 Ca 0.00 -2.39 -0.46 0.00 -0.55 0.00 0.00 66.41 63.02 1jqg h THR 154 Cb 0.00 2.27 -0.40 0.00 -1.73 0.00 0.00 68.15 68.29 1jqg h THR 154 CO 0.00 0.43 -1.19 0.00 -0.25 0.00 0.00 175.52 174.51 1jqg n ALA 155 N -2.43 2.35 -3.38 6.62 0.00 -1.26 -5.00 120.51 117.41 1jqg n ALA 155 Ca -0.10 -3.37 -0.09 0.00 0.00 0.00 0.00 53.44 49.88 1jqg n ALA 155 Cb 0.92 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1jqg n ALA 155 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jqg s SER 156 N -2.60 -0.16 0.46 0.00 1.04 -1.26 -3.70 113.70 107.48 1jqg s SER 156 Ca 0.38 -0.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.88 1jqg s SER 156 Cb 0.37 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 67.03 1jqg s SER 156 CO -0.06 -1.18 0.92 -0.55 0.98 0.00 0.00 173.24 173.36 1jqg s SER 157 N -2.97 6.69 0.00 7.02 0.15 -0.92 -4.93 113.70 118.75 1jqg s SER 157 Ca 0.17 1.51 0.12 0.00 0.70 0.00 0.00 55.95 58.45 1jqg s SER 157 Cb -0.02 -2.48 0.07 0.00 -1.71 0.00 0.00 66.02 61.88 1jqg s SER 157 CO 0.06 -0.48 0.83 -1.20 1.20 0.00 0.00 173.24 173.66 1jqg n SER 158 N -1.23 1.82 -4.85 5.45 7.64 -1.26 -2.69 113.62 118.50 1jqg n SER 158 Ca 0.06 -1.41 -0.37 0.00 1.01 0.00 0.00 58.87 58.16 1jqg n SER 158 Cb 0.54 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.82 1jqg n SER 158 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jqg s SER 159 N -1.18 6.23 0.34 6.43 0.15 -1.26 -4.99 113.70 119.42 1jqg s SER 159 Ca 0.13 0.42 0.25 0.00 0.70 0.00 0.00 55.95 57.45 1jqg s SER 159 Cb 0.10 -1.98 0.61 0.00 -1.71 0.00 0.00 66.02 63.03 1jqg s SER 159 CO 0.20 0.40 1.70 0.58 1.20 0.00 0.00 173.24 177.32 1jqg h VAL 160 N 3.99 0.00 0.00 4.45 2.07 -1.91 -2.74 116.25 122.10 1jqg h VAL 160 Ca -0.54 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1jqg h VAL 160 Cb 1.22 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1jqg h VAL 160 CO 0.58 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 178.11 1jqg s SER 162 N -5.01 6.63 0.03 0.00 0.15 -1.03 -4.96 113.70 109.51 1jqg s SER 162 Ca 0.09 1.73 0.24 0.00 0.70 0.00 0.00 55.95 58.71 1jqg s SER 162 Cb 0.10 -2.54 0.99 0.00 -1.71 0.00 0.00 66.02 62.86 1jqg s SER 162 CO 0.63 -0.58 1.75 0.47 1.20 0.00 0.00 173.24 176.72 1jqg n ASP 163 N -1.03 0.11 -0.95 5.45 8.00 -1.26 -3.21 116.55 123.66 1jqg n ASP 163 Ca 0.08 0.52 0.02 0.00 0.71 0.00 0.00 54.79 56.11 1jqg n ASP 163 Cb 0.54 -0.54 0.21 0.00 -0.02 0.00 0.00 41.12 41.31 1jqg n ASP 163 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jqg n THR 164 N -1.61 2.39 -1.80 -3.53 -2.24 -1.26 -4.50 114.28 101.74 1jqg n THR 164 Ca 0.05 -2.46 -0.42 0.00 -2.27 0.00 0.00 64.05 58.95 1jqg n THR 164 Cb 0.29 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1jqg n THR 164 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1jqg s PHE 165 N -3.09 2.55 -0.76 4.78 5.36 -1.20 -2.16 117.98 123.48 1jqg s PHE 165 Ca 0.42 0.25 0.26 0.00 -0.96 0.00 0.00 56.93 56.90 1jqg s PHE 165 Cb 0.37 -4.08 0.75 0.00 -0.34 0.00 0.00 43.02 39.72 1jqg s PHE 165 CO 0.02 -4.28 1.69 -2.39 -1.46 0.00 0.00 175.22 168.80 1jqg n HIS 166 N 4.93 0.71 -0.56 10.12 1.44 -1.10 -0.57 115.22 130.20 1jqg n HIS 166 Ca 0.16 0.21 0.00 0.00 -2.01 0.00 0.00 57.72 56.08 1jqg n HIS 166 Cb 0.38 -0.81 0.00 0.00 0.12 0.00 0.00 29.99 29.68 1jqg n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jqg n GLY 167 N 1.34 -2.91 0.15 -1.39 0.00 -1.26 -4.34 105.19 96.78 1jqg n GLY 167 Ca 0.05 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1jqg n GLY 167 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jqg h ARG 168 N 0.00 0.41 -2.99 1.61 3.08 -1.97 -3.48 114.38 111.04 1jqg h ARG 168 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1jqg h ARG 168 Cb 0.00 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 29.98 1jqg h ARG 168 CO 0.00 0.39 0.28 -1.54 -1.07 0.00 0.00 179.97 178.04 1jqg s SER 169 N -5.64 0.02 0.17 7.04 1.04 -1.26 -5.08 113.70 110.00 1jqg s SER 169 Ca -0.13 -1.17 -0.31 0.00 0.48 0.00 0.00 55.95 54.82 1jqg s SER 169 Cb 0.09 0.85 -0.09 0.00 0.10 0.00 0.00 66.02 66.97 1jqg s SER 169 CO 0.72 -1.70 1.46 0.00 0.98 0.00 0.00 173.24 174.70 1jqg s ALA 170 N -2.20 3.67 -1.41 5.32 0.00 -1.26 -2.89 121.76 122.99 1jqg s ALA 170 Ca 0.16 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.28 1jqg s ALA 170 Cb -0.05 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1jqg s ALA 170 CO 0.12 -0.70 1.13 1.19 0.00 0.00 0.00 175.76 177.50 1jqg n PHE 171 N 3.51 -2.71 0.18 0.00 3.01 0.89 -4.90 117.46 117.44 1jqg n PHE 171 Ca 0.11 0.99 0.06 0.00 1.01 0.00 0.00 57.45 59.62 1jqg n PHE 171 Cb 0.40 -4.74 0.21 0.00 -0.01 0.00 0.00 39.48 35.34 1jqg n PHE 171 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1jqg h SER 172 N -2.52 0.00 -3.15 4.37 4.64 -1.77 -3.44 113.55 111.68 1jqg h SER 172 Ca -0.57 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.16 1jqg h SER 172 Cb 1.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.42 1jqg h SER 172 CO 0.59 0.34 -0.22 -1.61 -0.87 0.00 0.00 176.83 175.06 1jqg s GLU 173 N -3.25 3.80 0.41 4.77 0.41 -1.26 -4.99 118.70 118.58 1jqg s GLU 173 Ca 0.03 0.23 0.12 0.00 -0.41 0.00 0.00 54.97 54.94 1jqg s GLU 173 Cb 0.08 -2.98 0.87 0.00 -1.78 0.00 0.00 34.13 30.33 1jqg s GLU 173 CO 0.70 0.54 1.95 -1.00 -0.49 0.00 0.00 175.26 176.95 1jqg h PRO 174 N 3.66 0.14 -0.43 0.39 0.13 -1.88 -2.52 132.00 131.49 1jqg h PRO 174 Ca -0.49 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 1jqg h PRO 174 Cb 1.19 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1jqg h PRO 174 CO 0.66 0.30 0.04 0.93 -0.23 0.00 0.00 178.00 179.70 1jqg h GLU 175 N 0.14 0.73 0.00 0.86 3.07 -1.90 -1.39 114.58 116.09 1jqg h GLU 175 Ca 0.03 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.53 1jqg h GLU 175 Cb 0.35 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1jqg h GLU 175 CO 0.02 0.79 -0.67 0.66 -1.40 0.00 0.00 179.01 178.41 1jqg h SER 176 N 0.58 0.00 -0.27 1.42 4.64 -1.89 -3.20 113.55 114.83 1jqg h SER 176 Ca 0.13 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1jqg h SER 176 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1jqg h SER 176 CO 0.01 0.67 -0.14 0.28 -0.87 0.00 0.00 176.83 176.79 1jqg h SER 177 N 0.00 0.59 -0.65 4.97 0.02 -1.09 -2.12 113.55 115.28 1jqg h SER 177 Ca -0.01 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 1jqg h SER 177 Cb 1.25 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 1jqg h SER 177 CO 0.09 0.87 0.30 -0.37 -1.14 0.00 0.00 176.83 176.57 1jqg h VAL 178 N 0.31 1.22 -0.60 2.27 -1.51 -1.32 -1.65 116.25 114.97 1jqg h VAL 178 Ca 0.06 -0.67 -0.06 0.00 -1.23 0.00 0.00 66.70 64.81 1jqg h VAL 178 Cb 0.65 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.18 1jqg h VAL 178 CO 0.04 0.27 0.15 0.40 -1.23 0.00 0.00 177.57 177.20 1jqg h ILE 179 N 0.96 1.24 -0.20 7.19 2.04 -1.53 -2.17 117.51 125.04 1jqg h ILE 179 Ca 0.23 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1jqg h ILE 179 Cb 0.14 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1jqg h ILE 179 CO -0.03 0.33 0.11 -0.09 0.00 0.00 0.00 178.15 178.48 1jqg h ARG 180 N 0.90 0.28 -0.66 2.37 2.43 -0.86 -1.51 114.38 117.33 1jqg h ARG 180 Ca 0.19 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1jqg h ARG 180 Cb 0.33 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1jqg h ARG 180 CO -0.00 0.26 0.31 -0.44 -1.51 0.00 0.00 179.97 178.59 1jqg h ASP 181 N 0.22 0.85 -0.55 -3.80 3.32 -1.15 -1.06 116.42 114.25 1jqg h ASP 181 Ca 0.07 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1jqg h ASP 181 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1jqg h ASP 181 CO -0.01 0.73 0.13 0.40 -1.72 0.00 0.00 179.24 178.76 1jqg h ILE 182 N 0.93 1.25 -0.57 0.35 2.04 -1.13 -2.11 117.51 118.27 1jqg h ILE 182 Ca 0.23 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1jqg h ILE 182 Cb 0.11 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1jqg h ILE 182 CO -0.03 0.33 0.14 0.40 0.00 0.00 0.00 178.15 178.99 1jqg h ILE 183 N 0.79 1.25 -0.32 -0.67 2.04 -0.77 -2.98 117.51 116.84 1jqg h ILE 183 Ca 0.17 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 1jqg h ILE 183 Cb 0.36 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1jqg h ILE 183 CO 0.00 0.33 0.02 0.00 0.00 0.00 0.00 178.15 178.51 1jqg h ALA 184 N 1.02 0.43 -0.75 1.87 0.00 -1.11 -1.15 119.26 119.56 1jqg h ALA 184 Ca 0.18 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1jqg h ALA 184 Cb 0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1jqg h ALA 184 CO 0.00 0.16 0.49 1.49 0.00 0.00 0.00 179.25 181.40 1jqg h GLU 185 N 0.37 0.71 -0.22 0.00 4.81 -1.31 -2.90 114.58 116.04 1jqg h GLU 185 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1jqg h GLU 185 Cb 0.40 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1jqg h GLU 185 CO 0.01 0.47 0.00 0.72 -0.73 0.00 0.00 179.01 179.48 1jqg n HIS 186 N -4.49 0.79 0.25 0.92 8.25 -1.09 -4.72 115.22 115.14 1jqg n HIS 186 Ca 0.12 -0.89 0.14 0.00 -0.26 0.00 0.00 57.72 56.83 1jqg n HIS 186 Cb 0.28 -0.29 0.57 0.00 1.12 0.00 0.00 29.99 31.67 1jqg n HIS 186 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1jqg h ARG 186 N 1.53 0.00 0.00 -0.41 0.11 -0.99 -2.32 114.38 112.30 1jqg h ARG 186 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1jqg h ARG 186 Cb 1.37 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.45 1jqg h ARG 186 CO 0.19 0.10 -0.07 -0.97 0.10 0.00 0.00 179.97 179.31 1jqg h ASN 187 N 0.00 0.00 0.00 0.08 -1.24 -1.84 -3.32 115.58 109.26 1jqg h ASN 187 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1jqg h ASN 187 Cb 0.63 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.68 1jqg h ASN 187 CO 0.01 0.07 -0.46 -2.11 -1.29 0.00 0.00 177.43 173.65 1jqg n ARG 188 N -4.17 0.00 -2.22 6.67 1.85 -1.10 -5.07 116.66 112.63 1jqg n ARG 188 Ca -0.03 -0.94 -0.43 0.00 -1.00 0.00 0.00 57.85 55.46 1jqg n ARG 188 Cb 0.16 -0.48 -0.02 0.00 -1.05 0.00 0.00 32.46 31.06 1jqg n ARG 188 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1jqg s MET 189 N 0.00 3.89 -0.13 2.89 1.75 -0.89 -1.49 119.30 125.32 1jqg s MET 189 Ca 0.00 1.58 0.11 0.00 -1.25 0.00 0.00 55.69 56.13 1jqg s MET 189 Cb 0.00 -3.97 -0.24 0.00 2.84 0.00 0.00 34.83 33.47 1jqg s MET 189 CO 0.00 -1.17 0.35 0.00 -0.65 0.00 0.00 175.02 173.55 1jqg n ALA 190 N 7.98 1.41 -3.25 4.11 0.00 0.12 -4.04 120.51 126.84 1jqg n ALA 190 Ca 0.17 -0.96 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1jqg n ALA 190 Cb 0.45 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 1jqg n ALA 190 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jqg s LEU 191 N -6.05 1.02 -0.07 0.00 2.96 -1.10 -3.56 118.68 111.88 1jqg s LEU 191 Ca -0.12 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1jqg s LEU 191 Cb 0.07 0.70 0.01 0.00 0.50 0.00 0.00 46.19 47.47 1jqg s LEU 191 CO 0.80 -0.10 -0.12 -0.47 -1.32 0.00 0.00 176.35 175.15 1jqg s TYR 192 N 0.40 1.45 -0.13 5.38 5.04 -0.87 -0.41 117.35 128.21 1jqg s TYR 192 Ca -0.02 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 1jqg s TYR 192 Cb -0.04 -1.08 0.02 0.00 0.35 0.00 0.00 41.96 41.21 1jqg s TYR 192 CO -0.02 -0.30 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.27 1jqg s LEU 193 N 0.79 1.41 -0.45 6.97 1.43 -0.54 -1.53 118.68 126.76 1jqg s LEU 193 Ca -0.12 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1jqg s LEU 193 Cb -0.15 -0.98 0.10 0.00 0.03 0.00 0.00 46.19 45.18 1jqg s LEU 193 CO 0.02 -0.08 0.33 -0.62 0.23 0.00 0.00 176.35 176.22 1jqg s ASP 194 N 1.56 5.78 -0.36 2.29 2.15 -0.57 -1.76 116.67 125.76 1jqg s ASP 194 Ca 0.04 -1.64 -0.25 0.00 0.43 0.00 0.00 52.55 51.13 1jqg s ASP 194 Cb -0.13 -2.04 0.01 0.00 -0.30 0.00 0.00 42.92 40.46 1jqg s ASP 194 CO -0.09 -0.63 0.89 -0.63 -0.17 0.00 0.00 175.17 174.54 1jqg s ILE 195 N 1.45 4.63 0.48 4.11 1.01 -0.50 -0.71 121.20 131.68 1jqg s ILE 195 Ca 0.04 1.16 0.03 0.00 0.00 0.00 0.00 60.65 61.88 1jqg s ILE 195 Cb -0.25 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 1jqg s ILE 195 CO 0.02 -0.49 0.04 -1.00 0.00 0.00 0.00 174.94 173.51 1jqg s HIS 196 N 3.36 2.05 -0.19 3.97 3.76 0.20 -4.19 115.29 124.25 1jqg s HIS 196 Ca 0.37 -0.86 -0.04 0.00 -0.15 0.00 0.00 55.06 54.37 1jqg s HIS 196 Cb -0.12 -1.69 0.09 0.00 1.11 0.00 0.00 32.58 31.97 1jqg s HIS 196 CO 0.18 0.24 0.23 -1.54 -0.85 0.00 0.00 174.74 172.99 1jqg s SER 197 N -3.86 1.22 -0.10 1.40 1.04 -1.26 -0.43 113.70 111.72 1jqg s SER 197 Ca 0.16 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.37 1jqg s SER 197 Cb 0.04 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1jqg s SER 197 CO 0.09 -0.31 0.31 0.72 0.98 0.00 0.00 173.24 175.02 1jqg s PHE 198 N 2.34 -0.30 0.00 5.02 -0.12 -1.26 -4.88 117.98 118.77 1jqg s PHE 198 Ca 0.06 0.71 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1jqg s PHE 198 Cb -0.15 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 1jqg s PHE 198 CO -0.12 -0.21 0.00 0.41 -0.05 0.00 0.00 175.22 175.25 1jqg n GLY 199 N 2.56 0.28 2.90 1.99 0.00 -0.85 -4.89 105.19 107.17 1jqg n GLY 199 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1jqg n GLY 199 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jqg n SER 200 N 0.00 -4.21 -3.79 1.61 7.64 0.39 -4.86 113.62 110.39 1jqg n SER 200 Ca 0.00 -0.53 -0.12 0.00 1.01 0.00 0.00 58.87 59.22 1jqg n SER 200 Cb 0.00 -4.20 -0.09 0.00 -1.01 0.00 0.00 64.21 58.92 1jqg n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jqg s MET 201 N -4.49 0.64 -0.28 1.43 0.23 -0.69 -1.31 119.30 114.82 1jqg s MET 201 Ca 0.22 -0.31 -0.01 0.00 -1.03 0.00 0.00 55.69 54.56 1jqg s MET 201 Cb -0.03 0.28 0.05 0.00 -1.53 0.00 0.00 34.83 33.60 1jqg s MET 201 CO 0.58 -0.18 -0.04 0.42 -2.03 0.00 0.00 175.02 173.78 1jqg s ILE 202 N -1.55 2.79 0.30 3.16 1.01 0.62 -1.01 121.20 126.52 1jqg s ILE 202 Ca -0.12 -1.35 0.08 0.00 0.00 0.00 0.00 60.65 59.26 1jqg s ILE 202 Cb -0.05 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1jqg s ILE 202 CO 0.02 -0.02 0.11 -0.76 0.00 0.00 0.00 174.94 174.29 1jqg s LEU 203 N 1.24 3.34 0.00 2.97 2.01 -0.95 -2.71 118.68 124.58 1jqg s LEU 203 Ca -0.05 -0.63 -0.04 0.00 0.01 0.00 0.00 54.13 53.42 1jqg s LEU 203 Cb -0.19 -1.85 0.02 0.00 0.01 0.00 0.00 46.19 44.17 1jqg s LEU 203 CO -0.03 -0.16 0.20 0.00 1.01 0.00 0.00 176.35 177.37 1jqg n TYR 204 N -1.08 -1.29 0.00 0.29 0.18 -0.94 -1.71 117.16 112.61 1jqg n TYR 204 Ca -0.05 -0.45 0.00 0.00 1.88 0.00 0.00 57.90 59.29 1jqg n TYR 204 Cb 0.60 0.22 0.00 0.00 -0.38 0.00 0.00 39.34 39.78 1jqg n TYR 204 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1jqg n GLY 205 N -0.14 1.37 3.38 -7.48 0.00 -1.26 -1.11 105.19 99.95 1jqg n GLY 205 Ca -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 45.00 1jqg n GLY 205 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jqg s TYR 206 N 0.00 -0.23 0.63 1.61 2.02 -1.26 -4.64 117.35 115.48 1jqg s TYR 206 Ca 0.00 0.41 0.21 0.00 -0.37 0.00 0.00 57.07 57.32 1jqg s TYR 206 Cb 0.00 0.14 0.89 0.00 -0.40 0.00 0.00 41.96 42.59 1jqg s TYR 206 CO 0.00 -0.11 1.43 0.78 -1.57 0.00 0.00 175.55 176.08 1jqg h GLY 207 N 6.54 0.00 1.63 0.71 0.00 -1.88 -2.44 103.07 107.64 1jqg h GLY 207 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1jqg h GLY 207 CO 0.12 0.00 -0.19 1.16 0.00 0.00 0.00 176.54 177.63 1jqg n ASN 209 N -3.09 0.22 0.00 0.19 6.94 -1.25 -2.63 115.26 115.65 1jqg n ASN 209 Ca 0.11 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1jqg n ASN 209 Cb 1.05 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 38.24 1jqg n ASN 209 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jqg n GLY 210 N 1.49 2.52 3.73 4.83 0.00 -0.92 -5.01 105.19 111.84 1jqg n GLY 210 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1jqg n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jqg s VAL 211 N -2.42 3.53 0.08 1.61 1.01 -1.26 -4.97 120.40 117.99 1jqg s VAL 211 Ca 0.00 1.23 -0.10 0.00 0.00 0.00 0.00 61.98 63.11 1jqg s VAL 211 Cb 0.00 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1jqg s VAL 211 CO 0.00 0.17 0.41 -0.76 0.00 0.00 0.00 175.10 174.92 1jqg s LEU 212 N 0.09 4.35 0.84 3.92 1.43 -1.26 -3.99 118.68 124.07 1jqg s LEU 212 Ca 0.56 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 1jqg s LEU 212 Cb -0.33 -2.99 0.10 0.00 0.03 0.00 0.00 46.19 42.99 1jqg s LEU 212 CO 0.35 0.17 1.15 -2.16 0.23 0.00 0.00 176.35 176.10 1jqg s PRO 213 N -1.90 1.72 0.23 1.29 0.04 -1.26 -4.97 135.00 130.15 1jqg s PRO 213 Ca 0.33 0.23 -0.07 0.00 0.04 0.00 0.00 61.00 61.52 1jqg s PRO 213 Cb -0.14 -1.91 0.24 0.00 0.04 0.00 0.00 34.50 32.73 1jqg s PRO 213 CO 0.18 -1.78 1.89 0.77 0.04 0.00 0.00 177.00 178.09 1jqg h SER 214 N -1.20 0.96 -0.70 6.66 0.02 -1.99 -2.37 113.55 114.92 1jqg h SER 214 Ca -0.48 -0.01 -0.45 0.00 -0.84 0.00 0.00 61.79 60.01 1jqg h SER 214 Cb 1.32 -0.22 -0.21 0.00 0.14 0.00 0.00 62.40 63.43 1jqg h SER 214 CO 0.64 0.67 0.58 -0.46 -1.14 0.00 0.00 176.83 177.12 1jqg n ASN 215 N -4.52 6.11 -0.11 3.07 2.04 -1.26 -4.66 115.26 115.93 1jqg n ASN 215 Ca 0.10 -3.31 -0.06 0.00 -0.44 0.00 0.00 54.58 50.87 1jqg n ASN 215 Cb 0.06 -0.95 0.02 0.00 -2.53 0.00 0.00 39.78 36.38 1jqg n ASN 215 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jqg h ALA 216 N 1.60 0.43 -1.00 -2.53 0.00 -1.80 -0.45 119.26 115.51 1jqg h ALA 216 Ca 0.43 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.43 1jqg h ALA 216 Cb 1.24 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1jqg h ALA 216 CO 1.03 -0.29 0.66 -0.07 0.00 0.00 0.00 179.25 180.58 1jqg h LEU 217 N 0.25 1.10 -0.45 0.00 3.38 -1.87 -1.04 115.31 116.68 1jqg h LEU 217 Ca 0.18 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1jqg h LEU 217 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jqg h LEU 217 CO -0.21 0.76 -0.19 1.56 0.09 0.00 0.00 178.44 180.46 1jqg h GLN 218 N 1.28 0.93 -0.26 1.13 4.20 -1.75 -2.35 115.11 118.29 1jqg h GLN 218 Ca 0.39 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jqg h GLN 218 Cb -0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1jqg h GLN 218 CO -0.11 1.05 0.17 -0.07 -0.67 0.00 0.00 178.83 179.19 1jqg h LEU 219 N 0.77 0.28 -0.55 1.46 3.38 -0.66 -2.09 115.31 117.89 1jqg h LEU 219 Ca 0.10 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1jqg h LEU 219 Cb 0.76 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1jqg h LEU 219 CO 0.06 0.21 -0.05 -0.74 0.09 0.00 0.00 178.44 178.01 1jqg h HIS 220 N 0.34 1.11 -0.36 1.13 2.76 -1.20 -2.07 115.15 116.87 1jqg h HIS 220 Ca 0.10 -0.21 0.03 0.00 -2.20 0.00 0.00 60.37 58.08 1jqg h HIS 220 Cb -0.03 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 1jqg h HIS 220 CO -0.06 1.02 0.18 1.25 -1.30 0.00 0.00 177.93 179.01 1jqg h LEU 221 N 0.89 0.27 -0.66 0.26 5.85 -1.21 -0.22 115.31 120.48 1jqg h LEU 221 Ca 0.15 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 1jqg h LEU 221 Cb 0.60 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1jqg h LEU 221 CO 0.04 0.20 -0.54 0.40 -0.34 0.00 0.00 178.44 178.20 1jqg h ILE 222 N 0.37 1.35 -0.73 4.05 2.04 -1.37 -2.02 117.51 121.20 1jqg h ILE 222 Ca 0.15 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1jqg h ILE 222 Cb 0.06 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1jqg h ILE 222 CO -0.10 0.55 0.47 1.23 0.00 0.00 0.00 178.15 180.29 1jqg h GLY 223 N 1.27 1.04 1.54 5.37 0.00 -0.98 -0.91 103.07 110.41 1jqg h GLY 223 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1jqg h GLY 223 CO 0.09 0.39 -0.15 -2.08 0.00 0.00 0.00 176.54 174.79 1jqg h VAL 224 N 0.99 1.24 -0.51 4.60 2.07 -0.81 -1.01 116.25 122.82 1jqg h VAL 224 Ca 0.27 -1.11 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1jqg h VAL 224 Cb -0.09 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1jqg h VAL 224 CO -0.06 0.36 -0.15 1.56 0.02 0.00 0.00 177.57 179.31 1jqg h GLN 225 N 0.50 0.99 -0.22 1.57 4.20 -0.85 -0.80 115.11 120.50 1jqg h GLN 225 Ca 0.09 -0.38 -0.19 0.00 0.06 0.00 0.00 58.65 58.22 1jqg h GLN 225 Cb 0.56 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1jqg h GLN 225 CO 0.04 1.06 -0.63 0.52 -0.67 0.00 0.00 178.83 179.15 1jqg h MET 226 N 0.88 0.79 0.03 1.46 2.86 -1.00 -2.72 114.93 117.22 1jqg h MET 226 Ca 0.13 -0.55 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1jqg h MET 226 Cb 0.71 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1jqg h MET 226 CO 0.05 1.17 -0.02 0.00 1.06 0.00 0.00 176.91 179.18 1jqg h ALA 227 N 0.70 -0.04 -0.38 6.32 0.00 -1.02 -2.53 119.26 122.31 1jqg h ALA 227 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jqg h ALA 227 Cb 1.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1jqg h ALA 227 CO 0.13 -0.48 0.25 1.96 0.00 0.00 0.00 179.25 181.11 1jqg h GLN 228 N -0.13 0.41 -0.06 0.00 4.20 -1.19 -0.61 115.11 117.73 1jqg h GLN 228 Ca -0.00 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1jqg h GLN 228 Cb 0.11 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1jqg h GLN 228 CO 0.01 0.27 -0.49 0.00 -0.67 0.00 0.00 178.83 177.95 1jqg h ALA 229 N 1.78 1.07 0.23 3.87 0.00 -1.27 -2.55 119.26 122.39 1jqg h ALA 229 Ca 0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 54.91 54.29 1jqg h ALA 229 Cb 0.08 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jqg h ALA 229 CO -0.03 0.64 -1.35 0.82 0.00 0.00 0.00 179.25 179.32 1jqg h ILE 230 N 0.13 1.33 0.00 0.00 2.04 -0.94 -3.25 117.51 116.81 1jqg h ILE 230 Ca 0.00 -2.67 -0.02 0.00 1.00 0.00 0.00 64.86 63.18 1jqg h ILE 230 Cb 0.91 3.08 -0.00 0.00 -0.74 0.00 0.00 36.82 40.06 1jqg h ILE 230 CO 0.07 0.79 -0.11 0.44 0.00 0.00 0.00 178.15 179.34 1jqg h ASP 231 N 0.05 0.00 1.31 1.72 3.45 -1.15 -1.68 116.42 120.11 1jqg h ASP 231 Ca -0.24 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.22 1jqg h ASP 231 Cb 2.07 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.84 1jqg h ASP 231 CO 0.25 0.11 -0.02 -0.09 -1.57 0.00 0.00 179.24 177.92 1jqg h ARG 232 N 0.00 0.00 0.00 3.56 2.43 -1.48 -3.15 114.38 115.74 1jqg h ARG 232 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jqg h ARG 232 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1jqg h ARG 232 CO 0.01 0.02 0.00 1.33 -1.51 0.00 0.00 179.97 179.82 1jqg n VAL 233 N -3.11 0.93 -1.01 0.20 0.24 -0.70 -5.08 118.33 109.79 1jqg n VAL 233 Ca 0.02 -0.95 -0.29 0.00 -2.04 0.00 0.00 64.34 61.07 1jqg n VAL 233 Cb 0.38 0.54 0.21 0.00 -1.47 0.00 0.00 33.84 33.50 1jqg n VAL 233 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1jqg s LYS 234 N -0.93 -0.35 0.00 7.34 -2.85 -0.77 -4.89 119.74 117.30 1jqg s LYS 234 Ca 0.00 0.41 0.00 0.00 -1.00 0.00 0.00 55.97 55.38 1jqg s LYS 234 Cb 0.00 -1.66 0.00 0.00 -2.06 0.00 0.00 37.83 34.11 1jqg s LYS 234 CO 0.00 -3.23 0.00 0.91 0.10 0.00 0.00 175.35 173.13 1jqg n TRP 234 N -4.51 0.00 0.00 1.78 5.03 -1.26 -5.02 117.44 113.47 1jqg n TRP 234 Ca 0.06 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.59 1jqg n TRP 234 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.85 1jqg n TRP 234 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1jqg n SER 234 N 0.00 0.00 -4.89 -0.99 2.88 -1.26 -4.65 113.62 104.71 1jqg n SER 234 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1jqg n SER 234 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1jqg n SER 234 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1jqg s ASN 235 N 0.00 6.38 0.45 -3.46 0.01 -1.26 -5.02 114.94 112.05 1jqg s ASN 235 Ca 0.00 1.04 0.02 0.00 -0.71 0.00 0.00 52.86 53.21 1jqg s ASN 235 Cb 0.00 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1jqg s ASN 235 CO 0.00 -0.50 0.65 -1.59 -1.51 0.00 0.00 177.10 174.15 1jqg s LYS 236 N -4.32 2.94 0.59 -0.60 -2.85 -1.26 -5.09 119.74 109.15 1jqg s LYS 236 Ca 0.49 -0.69 -0.16 0.00 -1.00 0.00 0.00 55.97 54.61 1jqg s LYS 236 Cb -0.10 -2.60 -0.04 0.00 -2.06 0.00 0.00 37.83 33.03 1jqg s LYS 236 CO 0.39 -0.31 1.06 -0.51 0.10 0.00 0.00 175.35 176.08 1jqg s ASP 237 N -4.27 5.78 0.25 0.03 -0.00 -1.26 -5.02 116.67 112.18 1jqg s ASP 237 Ca 0.50 1.85 -0.30 0.00 -0.00 0.00 0.00 52.55 54.61 1jqg s ASP 237 Cb -0.10 -2.54 -0.09 0.00 -0.00 0.00 0.00 42.92 40.19 1jqg s ASP 237 CO 0.36 -1.17 1.16 -0.31 -0.00 0.00 0.00 175.17 175.22 1jqg s TYR 238 N -2.38 3.46 0.04 4.23 1.51 -1.26 -4.92 117.35 118.03 1jqg s TYR 238 Ca 0.64 1.56 -0.11 0.00 -1.01 0.00 0.00 57.07 58.15 1jqg s TYR 238 Cb -0.17 -3.39 -0.06 0.00 -0.11 0.00 0.00 41.96 38.24 1jqg s TYR 238 CO 0.35 -0.96 0.38 0.42 -1.11 0.00 0.00 175.55 174.64 1jqg s ILE 239 N -0.70 5.10 -0.03 2.71 1.01 -0.43 -4.97 121.20 123.90 1jqg s ILE 239 Ca 0.48 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.74 1jqg s ILE 239 Cb -0.33 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1jqg s ILE 239 CO 0.41 0.39 -0.21 -0.69 0.00 0.00 0.00 174.94 174.84 1jqg s VAL 240 N -1.28 1.69 -3.79 2.92 1.01 -1.26 -0.27 120.40 119.41 1jqg s VAL 240 Ca 0.29 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1jqg s VAL 240 Cb -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1jqg s VAL 240 CO 0.16 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1jqg n GLY 241 N 2.71 -2.39 3.77 4.51 0.00 -1.10 -5.00 105.19 107.69 1jqg n GLY 241 Ca -0.16 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1jqg n GLY 241 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jqg s ASN 242 N -0.40 6.07 0.09 1.61 2.47 -1.26 -2.22 114.94 121.30 1jqg s ASN 242 Ca 0.00 2.48 -0.25 0.00 0.42 0.00 0.00 52.86 55.51 1jqg s ASN 242 Cb 0.00 -2.62 -0.16 0.00 -1.45 0.00 0.00 41.25 37.03 1jqg s ASN 242 CO 0.00 -1.00 1.72 0.40 -3.72 0.00 0.00 177.10 174.50 1jqg h ILE 243 N 1.97 0.86 -0.76 -5.21 2.04 -1.41 -0.89 117.51 114.11 1jqg h ILE 243 Ca -0.50 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1jqg h ILE 243 Cb 1.26 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1jqg h ILE 243 CO 0.60 0.00 0.38 0.15 0.00 0.00 0.00 178.15 179.28 1jqg h PHE 244 N -0.19 1.08 -0.18 1.37 3.57 -1.76 -1.22 116.94 119.60 1jqg h PHE 244 Ca -0.02 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 1jqg h PHE 244 Cb 0.15 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1jqg h PHE 244 CO -0.07 0.78 -0.23 0.45 -2.23 0.00 0.00 178.31 177.00 1jqg h HIS 245 N 1.06 0.59 0.01 0.41 3.86 -1.86 -3.34 115.15 115.88 1jqg h HIS 245 Ca 0.26 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1jqg h HIS 245 Cb 0.09 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1jqg h HIS 245 CO 0.01 0.87 -0.00 0.28 0.86 0.00 0.00 177.93 179.95 1jqg h VAL 246 N 0.13 1.42 0.00 2.45 2.07 -1.15 -3.47 116.25 117.70 1jqg h VAL 246 Ca 0.02 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1jqg h VAL 246 Cb 0.80 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1jqg h VAL 246 CO 0.06 0.47 0.00 0.18 0.02 0.00 0.00 177.57 178.29 1jqg n LEU 247 N -4.67 0.00 -3.81 2.57 4.77 -0.47 -5.04 117.00 110.36 1jqg n LEU 247 Ca -0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 1jqg n LEU 247 Cb 0.37 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1jqg n LEU 247 CO 0.28 0.00 0.29 -0.47 -1.33 0.00 0.00 177.39 176.16 1jqg s TYR 248 N 1.18 -0.05 0.22 -1.77 5.04 -1.22 -4.94 117.35 115.81 1jqg s TYR 248 Ca 0.00 -0.32 -0.32 0.00 -2.44 0.00 0.00 57.07 53.99 1jqg s TYR 248 Cb 0.00 0.42 -0.13 0.00 0.35 0.00 0.00 41.96 42.60 1jqg s TYR 248 CO 0.00 -0.99 1.52 0.00 -1.34 0.00 0.00 175.55 174.74 1jqg n ALA 249 N -0.37 1.60 -3.26 3.97 0.00 -1.26 -4.38 120.51 116.81 1jqg n ALA 249 Ca -0.07 0.41 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1jqg n ALA 249 Cb 0.62 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 1jqg n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqg s ALA 250 N 0.34 -0.89 0.13 0.00 0.00 -1.08 -4.93 121.76 115.34 1jqg s ALA 250 Ca 0.71 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1jqg s ALA 250 Cb -0.62 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1jqg s ALA 250 CO 0.45 -0.24 0.03 -1.54 0.00 0.00 0.00 175.76 174.46 1jqg s SER 251 N -0.86 0.56 -0.22 0.00 1.04 -1.24 -3.76 113.70 109.22 1jqg s SER 251 Ca -0.09 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1jqg s SER 251 Cb -0.04 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1jqg s SER 251 CO 0.03 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1jqg n GLY 252 N -0.11 0.55 3.82 7.32 0.00 -1.00 -4.32 105.19 111.45 1jqg n GLY 252 Ca -0.06 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1jqg n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jqg s GLY 253 N -2.60 2.38 0.04 -0.02 0.00 -1.17 -1.18 107.32 104.76 1jqg s GLY 253 Ca 0.00 0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.88 1jqg s GLY 253 CO 0.00 0.69 1.50 0.00 0.00 0.00 0.00 173.10 175.29 1jqg h ALA 254 N 1.80 0.02 -0.47 3.20 0.00 -1.87 -2.78 119.26 119.16 1jqg h ALA 254 Ca -0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1jqg h ALA 254 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1jqg h ALA 254 CO 0.61 -0.35 0.24 0.66 0.00 0.00 0.00 179.25 180.41 1jqg h SER 255 N -0.22 0.57 -0.63 0.00 4.64 -1.94 -1.93 113.55 114.05 1jqg h SER 255 Ca 0.00 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1jqg h SER 255 Cb 0.25 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1jqg h SER 255 CO 0.00 0.48 0.04 0.44 -0.87 0.00 0.00 176.83 176.92 1jqg h ASP 256 N 0.65 1.05 -0.22 4.97 3.45 -1.90 -2.29 116.42 122.13 1jqg h ASP 256 Ca 0.17 -0.29 -0.07 0.00 0.43 0.00 0.00 57.03 57.27 1jqg h ASP 256 Cb 0.04 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1jqg h ASP 256 CO -0.03 1.08 -0.13 0.22 -1.57 0.00 0.00 179.24 178.81 1jqg h TYR 257 N 0.98 0.55 -1.00 4.55 3.20 -1.16 -2.34 116.97 121.76 1jqg h TYR 257 Ca 0.18 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1jqg h TYR 257 Cb 0.51 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 1jqg h TYR 257 CO 0.04 0.77 0.65 0.00 -1.64 0.00 0.00 178.16 177.98 1jqg h ALA 258 N 0.70 1.38 -0.82 1.82 0.00 -1.37 0.10 119.26 121.07 1jqg h ALA 258 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jqg h ALA 258 Cb 0.63 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1jqg h ALA 258 CO 0.04 0.50 0.42 1.98 0.00 0.00 0.00 179.25 182.19 1jqg h MET 259 N 1.22 1.15 0.03 0.00 1.85 -1.35 0.19 114.93 118.01 1jqg h MET 259 Ca 0.41 -0.14 -0.22 0.00 -0.61 0.00 0.00 59.70 59.14 1jqg h MET 259 Cb 0.08 -0.22 -0.00 0.00 0.43 0.00 0.00 31.60 31.88 1jqg h MET 259 CO -0.14 0.86 -0.97 0.37 -0.40 0.00 0.00 176.91 176.62 1jqg h GLN 260 N 1.15 0.27 -0.02 0.39 4.15 -0.60 -3.36 115.11 117.10 1jqg h GLN 260 Ca 0.28 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1jqg h GLN 260 Cb 0.06 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1jqg h GLN 260 CO -0.04 1.05 -0.12 0.00 -1.93 0.00 0.00 178.83 177.79 1jqg n ALA 261 N -2.49 2.72 -1.00 3.38 0.00 0.21 -5.01 120.51 118.32 1jqg n ALA 261 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1jqg n ALA 261 Cb 0.86 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1jqg n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqg n ALA 262 N 0.44 0.05 -2.08 0.00 0.00 0.52 -4.87 120.51 114.57 1jqg n ALA 262 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1jqg n ALA 262 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 1jqg n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqg s ALA 263 N -1.03 3.43 0.11 0.00 0.00 -0.37 -4.81 121.76 119.09 1jqg s ALA 263 Ca 0.00 0.94 0.26 0.00 0.00 0.00 0.00 51.96 53.16 1jqg s ALA 263 Cb 0.00 -3.41 1.01 0.00 0.00 0.00 0.00 23.12 20.72 1jqg s ALA 263 CO 0.00 -0.37 1.86 -1.35 0.00 0.00 0.00 175.76 175.90 1jqg h PRO 264 N 5.38 0.00 -4.48 0.00 0.11 -1.74 -3.36 132.00 127.91 1jqg h PRO 264 Ca -0.44 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 1jqg h PRO 264 Cb 1.21 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.96 1jqg h PRO 264 CO 0.75 0.16 -0.82 -0.06 -0.21 0.00 0.00 178.00 177.82 1jqg s PHE 265 N -3.65 1.82 -0.14 0.65 0.40 -1.23 -4.96 117.98 110.87 1jqg s PHE 265 Ca 0.01 -0.95 -0.06 0.00 -0.60 0.00 0.00 56.93 55.33 1jqg s PHE 265 Cb 0.10 -1.40 0.06 0.00 0.51 0.00 0.00 43.02 42.29 1jqg s PHE 265 CO 0.61 -0.56 0.31 0.45 0.70 0.00 0.00 175.22 176.73 1jqg s SER 266 N 1.49 -0.06 0.23 1.36 0.15 -1.26 -2.05 113.70 113.56 1jqg s SER 266 Ca 0.03 0.69 0.09 0.00 0.70 0.00 0.00 55.95 57.46 1jqg s SER 266 Cb -0.13 0.73 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1jqg s SER 266 CO -0.08 -0.21 -0.17 -0.31 1.20 0.00 0.00 173.24 173.67 1jqg s TYR 267 N 1.96 1.94 -0.29 3.44 1.51 -0.58 -4.63 117.35 120.70 1jqg s TYR 267 Ca -0.04 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1jqg s TYR 267 Cb -0.11 -0.87 0.06 0.00 -0.11 0.00 0.00 41.96 40.93 1jqg s TYR 267 CO -0.10 0.50 -0.04 -0.08 -1.11 0.00 0.00 175.55 174.72 1jqg s THR 268 N -2.77 2.59 0.26 -0.71 -1.32 -0.69 -1.52 115.64 111.49 1jqg s THR 268 Ca 0.25 -1.55 -0.29 0.00 -1.21 0.00 0.00 61.69 58.89 1jqg s THR 268 Cb -0.03 -2.53 -0.09 0.00 -1.51 0.00 0.00 72.50 68.34 1jqg s THR 268 CO 0.10 -0.10 0.94 -0.31 -2.21 0.00 0.00 174.62 173.04 1jqg s TYR 269 N 1.17 3.91 -0.41 9.09 1.51 0.11 -2.23 117.35 130.49 1jqg s TYR 269 Ca -0.06 1.88 0.03 0.00 -1.01 0.00 0.00 57.07 57.91 1jqg s TYR 269 Cb -0.20 -2.96 0.12 0.00 -0.11 0.00 0.00 41.96 38.80 1jqg s TYR 269 CO -0.03 0.39 0.16 -1.21 -1.11 0.00 0.00 175.55 173.75 1jqg s GLU 270 N -1.41 1.51 0.75 -0.62 0.41 -0.18 0.61 118.70 119.76 1jqg s GLU 270 Ca 0.43 -2.05 -0.15 0.00 -0.41 0.00 0.00 54.97 52.80 1jqg s GLU 270 Cb -0.24 -2.93 0.05 0.00 -1.78 0.00 0.00 34.13 29.23 1jqg s GLU 270 CO 0.30 -1.04 1.23 -0.51 -0.49 0.00 0.00 175.26 174.74 1jqg s LEU 271 N 0.49 3.29 0.44 1.80 1.43 0.43 -0.46 118.68 126.10 1jqg s LEU 271 Ca 0.14 2.42 -0.25 0.00 -1.03 0.00 0.00 54.13 55.41 1jqg s LEU 271 Cb -0.22 -4.60 -0.08 0.00 0.03 0.00 0.00 46.19 41.32 1jqg s LEU 271 CO -0.06 -2.40 1.32 -2.84 0.23 0.00 0.00 176.35 172.60 1jqg s PRO 271 N -3.90 3.77 -0.56 1.29 0.02 -1.26 -2.01 135.00 132.34 1jqg s PRO 271 Ca 0.76 2.18 -0.24 0.00 0.02 0.00 0.00 61.00 63.72 1jqg s PRO 271 Cb -0.31 -2.63 0.04 0.00 0.02 0.00 0.00 34.50 31.63 1jqg s PRO 271 CO 0.47 -0.66 0.94 0.00 -0.33 0.00 0.00 177.00 177.41 1jqg s ALA 271 N -1.29 3.16 -0.02 -1.55 0.00 -1.26 -4.86 121.76 115.94 1jqg s ALA 271 Ca 0.60 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1jqg s ALA 271 Cb -0.38 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 18.95 1jqg s ALA 271 CO 0.49 -2.42 1.21 -0.47 0.00 0.00 0.00 175.76 174.56 1jqg s TYR 271 N 3.95 3.23 0.23 0.00 6.14 -1.26 -4.80 117.35 124.84 1jqg s TYR 271 Ca 0.29 1.22 0.02 0.00 0.64 0.00 0.00 57.07 59.24 1jqg s TYR 271 Cb -0.13 -3.43 -0.04 0.00 0.42 0.00 0.00 41.96 38.78 1jqg s TYR 271 CO 0.18 -1.36 0.39 1.03 0.64 0.00 0.00 175.55 176.44 1jqg s ARG 272 N 1.92 3.47 0.00 4.97 0.52 -1.25 -4.82 118.95 123.76 1jqg s ARG 272 Ca 0.57 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1jqg s ARG 272 Cb -0.26 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1jqg s ARG 272 CO 0.24 0.38 0.00 0.27 0.02 0.00 0.00 175.30 176.21 1jqg n ASN 273 N -1.10 0.00 -0.18 0.23 6.94 -0.71 -5.03 115.26 115.42 1jqg n ASN 273 Ca -0.06 -0.03 -0.07 0.00 -0.02 0.00 0.00 54.58 54.39 1jqg n ASN 273 Cb 0.55 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.99 1jqg n ASN 273 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1jqg h SER 274 N 0.00 0.63 0.00 0.53 0.02 -2.01 -3.38 113.55 109.34 1jqg h SER 274 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1jqg h SER 274 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1jqg h SER 274 CO 0.00 0.51 0.00 0.52 -1.14 0.00 0.00 176.83 176.72 1jqg n VAL 275 N -4.67 0.00 -2.71 2.27 0.31 -1.26 -5.01 118.33 107.26 1jqg n VAL 275 Ca 0.02 0.45 -0.27 0.00 -0.01 0.00 0.00 64.34 64.54 1jqg n VAL 275 Cb 0.06 -1.40 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1jqg n VAL 275 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 1jqg s TRP 276 N -0.90 3.53 0.00 3.52 -2.14 -1.26 -5.08 118.94 116.61 1jqg s TRP 276 Ca 0.00 0.74 0.00 0.00 2.66 0.00 0.00 56.10 59.50 1jqg s TRP 276 Cb 0.00 -2.28 0.00 0.00 -3.10 0.00 0.00 33.47 28.09 1jqg s TRP 276 CO 0.00 -0.27 0.00 1.19 -2.66 0.00 0.00 176.95 175.21 1jqg n PHE 277 N -2.22 0.00 -3.54 1.66 3.01 -1.26 -1.73 117.46 113.38 1jqg n PHE 277 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 1jqg n PHE 277 Cb 0.55 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.95 1jqg n PHE 277 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jqg s ASP 277 N -0.41 6.43 0.00 4.37 1.01 -1.26 -3.85 116.67 122.96 1jqg s ASP 277 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.76 1jqg s ASP 277 Cb 0.00 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1jqg s ASP 277 CO 0.00 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.09 1jqg n GLY 278 N 3.39 -0.76 0.00 0.21 0.00 -1.26 -5.01 105.19 101.75 1jqg n GLY 278 Ca -0.12 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.63 1jqg n GLY 278 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jqg n PHE 279 N 0.01 0.00 -2.13 1.61 3.72 -1.26 -4.83 117.46 114.58 1jqg n PHE 279 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1jqg n PHE 279 Cb 0.00 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 1jqg n PHE 279 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1jqg s LEU 280 N -2.78 4.42 -0.18 4.37 1.43 -1.26 -4.51 118.68 120.18 1jqg s LEU 280 Ca 0.03 2.61 -0.06 0.00 -1.03 0.00 0.00 54.13 55.68 1jqg s LEU 280 Cb 0.09 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1jqg s LEU 280 CO 0.51 -0.54 0.03 -0.69 0.23 0.00 0.00 176.35 175.89 1jqg s VAL 281 N -0.70 4.48 -0.26 -1.59 1.01 -1.26 -4.86 120.40 117.22 1jqg s VAL 281 Ca 0.52 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1jqg s VAL 281 Cb -0.39 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1jqg s VAL 281 CO 0.48 0.46 0.39 -0.62 0.00 0.00 0.00 175.10 175.80 1jqg s ASP 282 N 0.47 6.28 0.12 3.32 -1.08 -1.26 -4.86 116.67 119.66 1jqg s ASP 282 Ca 0.01 0.32 0.05 0.00 -0.52 0.00 0.00 52.55 52.42 1jqg s ASP 282 Cb -0.13 -2.22 0.30 0.00 -1.46 0.00 0.00 42.92 39.41 1jqg s ASP 282 CO 0.01 -0.19 1.04 -0.81 0.52 0.00 0.00 175.17 175.75 1jqg n PRO 283 N 5.30 0.04 0.15 4.34 -0.04 -1.26 -1.04 135.00 142.48 1jqg n PRO 283 Ca -0.08 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 1jqg n PRO 283 Cb 0.51 -1.80 0.20 0.00 -0.04 0.00 0.00 33.50 32.37 1jqg n PRO 283 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1jqg h ASP 284 N 0.00 0.00 0.02 3.54 3.32 -1.94 -3.25 116.42 118.11 1jqg h ASP 284 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1jqg h ASP 284 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1jqg h ASP 284 CO 0.00 0.01 -0.68 0.33 -1.72 0.00 0.00 179.24 177.19 1jqg n PHE 285 N -2.69 0.00 0.12 4.55 -0.00 -0.21 -4.61 117.46 114.61 1jqg n PHE 285 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.36 1jqg n PHE 285 Cb 0.50 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.48 39.91 1jqg n PHE 285 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1jqg h ILE 286 N 1.34 0.52 -0.55 -2.13 2.04 -1.64 0.12 117.51 117.21 1jqg h ILE 286 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1jqg h ILE 286 Cb 0.64 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1jqg h ILE 286 CO 0.00 0.00 0.02 -0.08 0.00 0.00 0.00 178.15 178.09 1jqg h GLU 287 N -0.41 0.96 -0.32 2.37 4.81 -1.80 -3.04 114.58 117.15 1jqg h GLU 287 Ca 0.02 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1jqg h GLU 287 Cb 0.42 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1jqg h GLU 287 CO -0.11 0.96 -0.14 0.37 -0.73 0.00 0.00 179.01 179.36 1jqg h GLN 288 N 0.84 0.56 -0.53 1.92 5.75 -1.75 -0.28 115.11 121.63 1jqg h GLN 288 Ca 0.16 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1jqg h GLN 288 Cb 0.52 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1jqg h GLN 288 CO 0.03 0.69 0.33 0.00 -2.65 0.00 0.00 178.83 177.23 1jqg h ALA 289 N 1.34 0.67 -0.01 3.38 0.00 -0.75 0.22 119.26 124.11 1jqg h ALA 289 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jqg h ALA 289 Cb 0.55 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jqg h ALA 289 CO 0.03 0.07 -0.00 0.78 0.00 0.00 0.00 179.25 180.13 1jqg h GLY 290 N 0.67 0.01 0.81 0.00 0.00 -1.36 -2.93 103.07 100.27 1jqg h GLY 290 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1jqg h GLY 290 CO -0.07 0.01 0.02 -2.75 0.00 0.00 0.00 176.54 173.75 1jqg h PHE 291 N -0.39 0.29 -0.40 5.60 3.57 -0.88 -2.16 116.94 122.57 1jqg h PHE 291 Ca 0.00 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1jqg h PHE 291 Cb 0.41 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1jqg h PHE 291 CO 0.07 0.45 -0.04 1.49 -2.23 0.00 0.00 178.31 178.04 1jqg h GLU 292 N 0.05 0.05 -0.11 1.11 4.81 -0.66 -2.61 114.58 117.22 1jqg h GLU 292 Ca 0.05 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1jqg h GLU 292 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1jqg h GLU 292 CO 0.00 0.04 -0.34 1.15 -0.73 0.00 0.00 179.01 179.13 1jqg h THR 293 N 0.06 1.28 -0.03 0.32 2.02 -1.48 -2.91 112.91 112.16 1jqg h THR 293 Ca 0.20 -1.33 -0.09 0.00 0.77 0.00 0.00 66.41 65.95 1jqg h THR 293 Cb 0.29 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1jqg h THR 293 CO -0.37 0.40 -0.41 -0.25 0.37 0.00 0.00 175.52 175.26 1jqg h TRP 294 N 0.19 0.08 -0.79 3.16 -0.00 -1.01 -0.42 115.95 117.17 1jqg h TRP 294 Ca 0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.96 1jqg h TRP 294 Cb 0.70 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 29.78 1jqg h TRP 294 CO 0.01 0.47 0.47 0.93 -0.00 0.00 0.00 178.44 180.32 1jqg h GLU 295 N 0.06 0.81 0.04 2.65 4.39 -1.31 -1.91 114.58 119.31 1jqg h GLU 295 Ca 0.00 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 1jqg h GLU 295 Cb 0.76 -0.18 0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1jqg h GLU 295 CO 0.06 0.54 -1.09 0.78 -1.16 0.00 0.00 179.01 178.13 1jqg h GLY 296 N 0.83 0.66 0.85 -3.84 0.00 -1.21 -3.25 103.07 97.11 1jqg h GLY 296 Ca 0.36 -1.25 -0.00 0.00 0.00 0.00 0.00 47.33 46.44 1jqg h GLY 296 CO -0.20 1.10 0.02 -2.22 0.00 0.00 0.00 176.54 175.25 1jqg h ILE 297 N 0.31 1.14 0.00 2.60 2.04 -1.02 -1.12 117.51 121.46 1jqg h ILE 297 Ca -0.14 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 1jqg h ILE 297 Cb 1.75 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1jqg h ILE 297 CO 0.21 0.12 -0.35 0.07 0.00 0.00 0.00 178.15 178.19 1jqg h LYS 298 N -0.08 0.00 -0.27 2.37 2.10 -1.50 0.15 116.57 119.34 1jqg h LYS 298 Ca 0.02 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.49 1jqg h LYS 298 Cb 0.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1jqg h LYS 298 CO -0.00 0.35 -0.52 0.28 -2.00 0.00 0.00 179.45 177.56 1jqg h VAL 299 N 0.00 1.29 -0.14 0.07 2.07 -1.56 -2.26 116.25 115.71 1jqg h VAL 299 Ca -0.00 -1.72 -0.11 0.00 0.82 0.00 0.00 66.70 65.69 1jqg h VAL 299 Cb 0.64 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1jqg h VAL 299 CO 0.05 0.55 -0.35 1.23 0.02 0.00 0.00 177.57 179.07 1jqg h GLY 300 N 0.82 0.53 0.92 2.17 0.00 -0.71 -1.83 103.07 104.98 1jqg h GLY 300 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.72 1jqg h GLY 300 CO 0.11 0.59 0.57 0.00 0.00 0.00 0.00 176.54 177.82 1jqg h ALA 301 N 0.54 1.15 -0.15 3.60 0.00 -0.73 0.74 119.26 124.41 1jqg h ALA 301 Ca -0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1jqg h ALA 301 Cb 0.95 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jqg h ALA 301 CO 0.08 0.45 -0.70 0.00 0.00 0.00 0.00 179.25 179.07 1jqg h ARG 302 N 1.13 0.74 -0.47 0.00 3.08 -1.43 -0.84 114.38 116.58 1jqg h ARG 302 Ca 0.34 -0.59 -0.09 0.00 0.07 0.00 0.00 59.98 59.70 1jqg h ARG 302 Cb -0.04 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1jqg h ARG 302 CO -0.10 1.21 -0.07 0.00 -1.07 0.00 0.00 179.97 179.93 1jqg h ALA 303 N 0.54 0.64 -0.25 0.04 0.00 -0.98 -1.39 119.26 117.85 1jqg h ALA 303 Ca -0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1jqg h ALA 303 Cb 1.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1jqg h ALA 303 CO 0.15 0.51 -0.48 0.00 0.00 0.00 0.00 179.25 179.43 1jqg h ALA 304 N 0.89 0.69 -0.25 0.00 0.00 0.49 -2.74 119.26 118.34 1jqg h ALA 304 Ca 0.12 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1jqg h ALA 304 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jqg h ALA 304 CO 0.04 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.68 1jqg h ALA 305 N 0.93 1.06 0.00 0.00 0.00 -1.15 -2.47 119.26 117.64 1jqg h ALA 305 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jqg h ALA 305 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jqg h ALA 305 CO 0.10 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1jqg n ALA 306 N -2.49 1.75 -1.07 0.00 0.00 -0.53 -2.88 120.51 115.29 1jqg n ALA 306 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1jqg n ALA 306 Cb 0.42 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 1jqg n ALA 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqg n ALA 307 N -1.38 6.53 -0.22 0.00 0.00 -0.93 -4.01 120.51 120.50 1jqg n ALA 307 Ca 0.05 -2.48 0.11 0.00 0.00 0.00 0.00 53.44 51.13 1jqg n ALA 307 Cb 0.14 -2.82 0.28 0.00 0.00 0.00 0.00 19.45 17.06 1jqg n ALA 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jqg n ALA 308 N 3.12 2.36 1.09 0.00 0.00 -1.14 -3.92 120.51 122.02 1jqg n ALA 308 Ca 0.56 -1.22 0.13 0.00 0.00 0.00 0.00 53.44 52.91 1jqg n ALA 308 Cb 0.53 -0.86 0.51 0.00 0.00 0.00 0.00 19.45 19.63 1jqg n ALA 308 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jqg n LYS 309 N 1.50 0.15 0.00 0.00 4.01 -1.26 -5.24 118.16 117.31 1jqg n LYS 309 Ca 0.22 -0.05 0.16 0.00 -0.51 0.00 0.00 58.31 58.13 1jqg n LYS 309 Cb 0.60 -1.50 0.93 0.00 -0.51 0.00 0.00 35.03 34.54 1jqg n LYS 309 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68