#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxf s VAL 4 N 0.00 1.28 0.03 1.61 0.11 -1.13 -3.21 120.40 119.09 3kxf s VAL 4 Ca 0.00 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.56 3kxf s VAL 4 Cb 0.00 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 3kxf s VAL 4 CO 0.00 0.40 0.06 0.42 -3.33 0.00 0.00 175.10 172.66 3kxf s THR 5 N 1.16 4.54 -0.07 5.04 -4.23 0.18 -4.25 115.64 118.01 3kxf s THR 5 Ca -0.04 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 59.85 3kxf s THR 5 Cb -0.14 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.63 3kxf s THR 5 CO -0.03 0.27 0.16 -1.58 -0.54 0.00 0.00 174.62 172.90 3kxf s GLN 6 N -1.96 0.12 0.06 3.99 0.74 -1.26 -0.62 119.66 120.74 3kxf s GLN 6 Ca 0.25 0.38 0.03 0.00 0.05 0.00 0.00 55.36 56.06 3kxf s GLN 6 Cb -0.12 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 3kxf s GLN 6 CO 0.16 -0.15 -0.09 0.95 -0.55 0.00 0.00 175.29 175.62 3kxf s THR 7 N 1.05 0.67 0.79 -0.34 -4.23 -0.70 -4.61 115.64 108.28 3kxf s THR 7 Ca -0.08 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 3kxf s THR 7 Cb -0.10 -0.89 0.19 0.00 1.34 0.00 0.00 72.50 73.04 3kxf s THR 7 CO -0.06 -0.45 0.88 -0.81 -0.54 0.00 0.00 174.62 173.65 3kxf n PRO 8 N 1.15 -1.69 -0.03 3.99 -0.04 -1.26 -1.30 135.00 135.82 3kxf n PRO 8 Ca -0.20 -1.38 -0.06 0.00 -0.04 0.00 0.00 63.50 61.82 3kxf n PRO 8 Cb 0.56 -1.08 -0.13 0.00 -0.04 0.00 0.00 33.50 32.81 3kxf n PRO 8 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3kxf n LYS 9 N -3.44 0.65 -4.08 0.54 4.81 -1.26 -4.48 118.16 110.90 3kxf n LYS 9 Ca 0.11 0.15 -0.07 0.00 -0.87 0.00 0.00 58.31 57.64 3kxf n LYS 9 Cb 0.42 -1.70 -0.10 0.00 0.02 0.00 0.00 35.03 33.67 3kxf n LYS 9 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3kxf s PHE 10 N -2.69 0.50 -0.29 5.64 0.08 -1.26 -0.77 117.98 119.18 3kxf s PHE 10 Ca -0.06 -1.02 -0.17 0.00 0.12 0.00 0.00 56.93 55.80 3kxf s PHE 10 Cb 0.08 -0.37 0.13 0.00 -0.57 0.00 0.00 43.02 42.29 3kxf s PHE 10 CO 0.83 -0.36 0.93 -1.14 -0.10 0.00 0.00 175.22 175.38 3kxf s GLN 11 N -3.70 0.46 0.08 0.44 2.00 -0.88 -4.93 119.66 113.12 3kxf s GLN 11 Ca 0.05 0.74 0.02 0.00 -2.00 0.00 0.00 55.36 54.18 3kxf s GLN 11 Cb 0.06 0.11 -0.04 0.00 0.80 0.00 0.00 33.01 33.95 3kxf s GLN 11 CO -0.09 -0.09 0.12 0.08 -0.50 0.00 0.00 175.29 174.81 3kxf s VAL 12 N 1.22 4.77 -0.14 1.34 1.01 -1.26 -2.50 120.40 124.84 3kxf s VAL 12 Ca -0.07 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3kxf s VAL 12 Cb -0.04 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 33.07 3kxf s VAL 12 CO -0.14 0.11 0.36 -0.76 0.00 0.00 0.00 175.10 174.66 3kxf s LEU 13 N -2.49 0.27 0.37 3.92 1.43 -0.76 -4.98 118.68 116.45 3kxf s LEU 13 Ca 0.31 0.75 -0.27 0.00 -1.03 0.00 0.00 54.13 53.89 3kxf s LEU 13 Cb -0.12 1.17 -0.09 0.00 0.03 0.00 0.00 46.19 47.18 3kxf s LEU 13 CO 0.24 -0.16 1.25 -0.75 0.23 0.00 0.00 176.35 177.15 3kxf s LYS 14 N 0.95 4.15 -0.17 1.70 2.20 -1.26 -0.52 119.74 126.79 3kxf s LYS 14 Ca -0.06 2.05 -0.41 0.00 -0.36 0.00 0.00 55.97 57.19 3kxf s LYS 14 Cb -0.07 -2.85 -0.18 0.00 -1.51 0.00 0.00 37.83 33.22 3kxf s LYS 14 CO -0.07 -0.31 1.46 2.41 -0.36 0.00 0.00 175.35 178.47 3kxf n THR 15 N 0.37 0.09 0.00 3.43 -1.04 0.11 -2.41 114.28 114.82 3kxf n THR 15 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3kxf n THR 15 Cb 0.44 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 3kxf n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kxf n GLY 16 N 3.11 1.86 3.59 3.41 0.00 -1.03 -4.94 105.19 111.19 3kxf n GLY 16 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 3kxf n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kxf s GLN 17 N -0.13 -0.44 0.25 1.61 -0.21 -1.01 -3.96 119.66 115.76 3kxf s GLN 17 Ca 0.00 0.46 0.08 0.00 0.02 0.00 0.00 55.36 55.92 3kxf s GLN 17 Cb 0.00 -1.64 -0.04 0.00 1.00 0.00 0.00 33.01 32.33 3kxf s GLN 17 CO 0.00 -3.31 0.12 -1.12 -2.12 0.00 0.00 175.29 168.87 3kxf s SER 18 N -3.26 5.18 0.05 5.90 0.01 -1.26 -1.87 113.70 118.45 3kxf s SER 18 Ca 0.67 -0.38 -0.27 0.00 1.31 0.00 0.00 55.95 57.28 3kxf s SER 18 Cb -0.19 -1.21 0.09 0.00 0.21 0.00 0.00 66.02 64.92 3kxf s SER 18 CO 0.59 -0.02 0.84 -0.32 0.41 0.00 0.00 173.24 174.75 3kxf s MET 19 N -3.72 0.96 -0.04 12.44 1.75 -0.97 -5.04 119.30 124.69 3kxf s MET 19 Ca 0.32 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.37 3kxf s MET 19 Cb -0.08 0.42 0.03 0.00 2.84 0.00 0.00 34.83 38.05 3kxf s MET 19 CO 0.23 -0.42 0.03 0.99 -0.65 0.00 0.00 175.02 175.20 3kxf s THR 20 N -3.26 0.03 0.02 10.11 2.01 -1.26 -1.91 115.64 121.38 3kxf s THR 20 Ca 0.05 0.27 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 3kxf s THR 20 Cb -0.01 -0.21 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 3kxf s THR 20 CO -0.08 0.16 0.76 -0.76 -0.69 0.00 0.00 174.62 174.01 3kxf s LEU 21 N 1.65 4.42 -0.12 4.42 1.43 0.22 -4.80 118.68 125.91 3kxf s LEU 21 Ca -0.01 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 3kxf s LEU 21 Cb -0.13 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 3kxf s LEU 21 CO -0.03 -0.02 0.02 -1.10 0.23 0.00 0.00 176.35 175.45 3kxf s GLN 22 N 0.15 3.31 -0.04 1.70 -0.21 -0.42 -2.52 119.66 121.63 3kxf s GLN 22 Ca 0.39 -0.39 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 3kxf s GLN 22 Cb -0.20 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 30.91 3kxf s GLN 22 CO 0.22 0.56 0.02 0.00 -2.12 0.00 0.00 175.29 173.97 3kxf s ALA 24 N 1.48 1.00 -0.04 0.00 0.00 0.21 -1.27 121.76 123.14 3kxf s ALA 24 Ca -0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 3kxf s ALA 24 Cb -0.13 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3kxf s ALA 24 CO -0.03 0.18 0.12 -1.14 0.00 0.00 0.00 175.76 174.89 3kxf s GLN 25 N -0.99 0.14 -0.16 0.00 -0.44 -0.85 0.49 119.66 117.86 3kxf s GLN 25 Ca 0.01 0.17 0.17 0.00 -2.50 0.00 0.00 55.36 53.20 3kxf s GLN 25 Cb -0.07 0.07 0.37 0.00 -1.64 0.00 0.00 33.01 31.73 3kxf s GLN 25 CO 0.01 -0.02 1.23 -0.40 0.50 0.00 0.00 175.29 176.61 3kxf n ASP 26 N 3.02 2.57 -1.02 6.67 5.68 -1.20 -4.56 116.55 127.70 3kxf n ASP 26 Ca -0.12 -3.23 0.09 0.00 -0.50 0.00 0.00 54.79 51.03 3kxf n ASP 26 Cb 0.59 -0.48 0.24 0.00 -1.14 0.00 0.00 41.12 40.34 3kxf n ASP 26 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3kxf n MET 27 N -1.20 2.28 -3.03 0.11 2.81 -1.26 -4.92 117.12 111.91 3kxf n MET 27 Ca 0.18 -2.00 -0.22 0.00 -1.81 0.00 0.00 57.70 53.85 3kxf n MET 27 Cb 0.72 -1.43 0.03 0.00 -0.71 0.00 0.00 33.22 31.83 3kxf n MET 27 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3kxf n ASN 28 N 1.12 -5.82 -4.78 7.83 5.15 -1.26 -4.97 115.26 112.52 3kxf n ASN 28 Ca 0.19 -0.28 -0.36 0.00 -0.60 0.00 0.00 54.58 53.52 3kxf n ASN 28 Cb 0.47 -4.72 -0.04 0.00 -0.53 0.00 0.00 39.78 34.96 3kxf n ASN 28 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3kxf s HIS 29 N -3.14 3.27 -0.07 1.20 3.76 -1.26 -4.99 115.29 114.06 3kxf s HIS 29 Ca 0.30 1.64 -0.26 0.00 -0.15 0.00 0.00 55.06 56.59 3kxf s HIS 29 Cb -0.14 -3.13 -0.23 0.00 1.11 0.00 0.00 32.58 30.20 3kxf s HIS 29 CO 0.37 -0.62 1.02 -0.91 -0.85 0.00 0.00 174.74 173.75 3kxf h ASN 30 N 2.51 0.09 -3.08 1.40 2.35 -1.94 -3.47 115.58 113.44 3kxf h ASN 30 Ca -0.48 -0.76 -0.60 0.00 -0.55 0.00 0.00 56.30 53.91 3kxf h ASN 30 Cb 1.21 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.51 3kxf h ASN 30 CO 0.62 0.84 -0.24 -0.44 -1.65 0.00 0.00 177.43 176.56 3kxf s SER 31 N -6.10 6.67 -0.04 5.81 0.01 -1.24 -3.85 113.70 114.97 3kxf s SER 31 Ca -0.17 0.82 -0.05 0.00 1.31 0.00 0.00 55.95 57.86 3kxf s SER 31 Cb -0.00 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 64.05 3kxf s SER 31 CO 0.71 0.21 0.12 -0.04 0.41 0.00 0.00 173.24 174.65 3kxf s MET 32 N -1.72 0.20 0.04 12.44 -1.94 -0.88 -4.65 119.30 122.80 3kxf s MET 32 Ca 0.31 0.06 0.05 0.00 -1.71 0.00 0.00 55.69 54.40 3kxf s MET 32 Cb -0.14 0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.76 3kxf s MET 32 CO 0.17 -0.03 -0.15 0.71 -0.01 0.00 0.00 175.02 175.70 3kxf s TYR 33 N -0.20 1.34 -0.20 -0.03 1.51 0.11 -0.79 117.35 119.10 3kxf s TYR 33 Ca -0.03 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3kxf s TYR 33 Cb -0.02 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 3kxf s TYR 33 CO 0.00 0.05 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.84 3kxf s TRP 34 N -0.87 2.92 0.16 2.71 0.52 -0.55 -1.09 118.94 122.74 3kxf s TRP 34 Ca 0.03 -0.97 0.11 0.00 0.02 0.00 0.00 56.10 55.29 3kxf s TRP 34 Cb -0.08 -2.05 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 3kxf s TRP 34 CO 0.01 -0.52 -0.25 0.71 0.02 0.00 0.00 176.95 176.92 3kxf s TYR 35 N 1.28 2.26 0.01 -1.98 1.51 0.31 0.81 117.35 121.55 3kxf s TYR 35 Ca 0.03 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 3kxf s TYR 35 Cb -0.14 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.52 3kxf s TYR 35 CO -0.03 0.42 -0.26 -0.98 -1.11 0.00 0.00 175.55 173.59 3kxf s ARG 36 N -2.41 1.96 -0.12 -0.62 1.70 -0.97 -0.24 118.95 118.26 3kxf s ARG 36 Ca 0.17 -1.00 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 3kxf s ARG 36 Cb -0.09 -2.00 -0.01 0.00 -0.57 0.00 0.00 34.95 32.28 3kxf s ARG 36 CO 0.08 0.54 -0.15 -1.14 -1.08 0.00 0.00 175.30 173.55 3kxf s GLN 37 N -0.87 3.27 -0.02 3.89 0.74 0.44 -2.07 119.66 125.03 3kxf s GLN 37 Ca 0.11 -0.71 0.01 0.00 0.05 0.00 0.00 55.36 54.81 3kxf s GLN 37 Cb -0.10 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.46 3kxf s GLN 37 CO 0.00 0.25 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.47 3kxf s ASP 38 N 0.25 0.35 -0.17 6.67 1.01 -1.22 -2.11 116.67 121.46 3kxf s ASP 38 Ca -0.10 -0.03 -0.15 0.00 0.71 0.00 0.00 52.55 52.98 3kxf s ASP 38 Cb -0.16 -0.14 -0.06 0.00 1.01 0.00 0.00 42.92 43.57 3kxf s ASP 38 CO 0.06 -0.05 0.68 -2.65 0.21 0.00 0.00 175.17 173.41 3kxf n PRO 39 N 3.73 0.00 -2.71 8.23 -0.02 -1.26 -0.88 135.00 142.09 3kxf n PRO 39 Ca -0.22 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.14 3kxf n PRO 39 Cb 0.53 -0.50 0.02 0.00 -0.02 0.00 0.00 33.50 33.54 3kxf n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kxf n GLY 40 N 2.29 0.03 0.00 -1.23 0.00 -1.26 -4.86 105.19 100.16 3kxf n GLY 40 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3kxf n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kxf n MET 41 N -2.59 3.21 0.00 1.61 2.81 -0.05 -5.15 117.12 116.96 3kxf n MET 41 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3kxf n MET 41 Cb 0.56 -0.59 0.00 0.00 -0.71 0.00 0.00 33.22 32.49 3kxf n MET 41 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kxf n GLY 42 N 0.65 -0.21 3.72 3.03 0.00 -1.23 -4.76 105.19 106.39 3kxf n GLY 42 Ca 0.00 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3kxf n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxf s LEU 43 N 0.00 4.20 -0.06 0.99 1.43 -1.26 -3.41 118.68 120.56 3kxf s LEU 43 Ca 0.00 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3kxf s LEU 43 Cb 0.00 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3kxf s LEU 43 CO 0.00 0.16 -0.25 -0.13 0.23 0.00 0.00 176.35 176.36 3kxf s ARG 44 N 0.47 2.62 0.06 1.70 0.52 -0.88 -4.93 118.95 118.51 3kxf s ARG 44 Ca 0.09 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.09 3kxf s ARG 44 Cb -0.11 -2.19 -0.07 0.00 0.52 0.00 0.00 34.95 33.09 3kxf s ARG 44 CO -0.01 0.36 1.46 -1.17 0.02 0.00 0.00 175.30 175.96 3kxf s LEU 45 N -0.11 4.35 -0.15 2.53 2.96 -1.26 -2.29 118.68 124.70 3kxf s LEU 45 Ca -0.05 2.28 -0.11 0.00 -0.22 0.00 0.00 54.13 56.03 3kxf s LEU 45 Cb -0.14 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3kxf s LEU 45 CO 0.04 -0.74 -0.11 0.40 -1.32 0.00 0.00 176.35 174.63 3kxf h ILE 46 N 4.65 0.16 -3.50 6.68 1.08 0.12 0.38 117.51 127.08 3kxf h ILE 46 Ca -0.40 -1.21 -0.04 0.00 -0.39 0.00 0.00 64.86 62.82 3kxf h ILE 46 Cb 1.19 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 35.24 3kxf h ILE 46 CO 0.90 0.05 -0.06 -0.31 -0.69 0.00 0.00 178.15 178.04 3kxf s TYR 47 N -2.25 0.15 0.18 1.37 1.51 -1.24 -0.41 117.35 116.67 3kxf s TYR 47 Ca -0.17 -0.52 -0.20 0.00 -1.01 0.00 0.00 57.07 55.17 3kxf s TYR 47 Cb 0.03 0.28 0.04 0.00 -0.11 0.00 0.00 41.96 42.20 3kxf s TYR 47 CO 0.28 -0.96 0.56 1.52 -1.11 0.00 0.00 175.55 175.84 3kxf s TYR 48 N -3.95 -0.30 -0.19 2.71 -0.85 -0.88 -1.48 117.35 112.41 3kxf s TYR 48 Ca 0.16 -0.00 0.01 0.00 -0.52 0.00 0.00 57.07 56.72 3kxf s TYR 48 Cb -0.01 0.48 0.02 0.00 0.38 0.00 0.00 41.96 42.83 3kxf s TYR 48 CO 0.04 -0.91 -0.18 0.45 -1.52 0.00 0.00 175.55 173.43 3kxf s SER 49 N -2.82 3.26 -0.01 -0.18 0.15 0.03 -0.85 113.70 113.28 3kxf s SER 49 Ca 0.05 -0.66 -0.24 0.00 0.70 0.00 0.00 55.95 55.81 3kxf s SER 49 Cb -0.01 -1.50 -0.19 0.00 -1.71 0.00 0.00 66.02 62.60 3kxf s SER 49 CO -0.07 -0.01 1.25 0.00 1.20 0.00 0.00 173.24 175.61 3kxf h ALA 50 N 7.95 0.07 -3.46 5.45 0.00 -1.80 -2.34 119.26 125.12 3kxf h ALA 50 Ca -0.45 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 53.99 3kxf h ALA 50 Cb 1.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3kxf h ALA 50 CO 0.63 -0.11 -0.07 -1.13 0.00 0.00 0.00 179.25 178.56 3kxf n SER 51 N -4.73 -0.94 -4.66 0.00 3.41 -1.25 -3.65 113.62 101.80 3kxf n SER 51 Ca -0.08 -2.22 -0.42 0.00 -0.26 0.00 0.00 58.87 55.89 3kxf n SER 51 Cb 0.31 1.73 -0.03 0.00 -0.26 0.00 0.00 64.21 65.96 3kxf n SER 51 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3kxf n GLU 52 N -0.38 2.81 -0.12 4.33 2.13 -1.26 -1.80 120.64 126.36 3kxf n GLU 52 Ca -0.00 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.84 3kxf n GLU 52 Cb 0.38 -3.01 0.00 0.00 0.27 0.00 0.00 31.44 29.08 3kxf n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kxf n GLY 53 N 4.61 0.55 3.30 8.31 0.00 -0.98 -4.98 105.19 116.00 3kxf n GLY 53 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3kxf n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxf s THR 54 N -2.27 2.89 0.00 2.61 2.01 -0.74 -5.00 115.64 115.14 3kxf s THR 54 Ca 0.00 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3kxf s THR 54 Cb 0.00 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 3kxf s THR 54 CO 0.00 0.50 -0.11 0.42 -0.69 0.00 0.00 174.62 174.74 3kxf s THR 55 N 0.79 0.90 -0.01 -0.82 -4.23 -1.26 -3.53 115.64 107.49 3kxf s THR 55 Ca -0.05 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 3kxf s THR 55 Cb -0.15 -0.77 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 3kxf s THR 55 CO 0.01 0.18 -0.09 -1.81 -0.54 0.00 0.00 174.62 172.36 3kxf s ASP 56 N -0.47 1.07 0.17 3.99 1.01 -0.03 -4.99 116.67 117.42 3kxf s ASP 56 Ca 0.03 -0.17 -0.34 0.00 0.71 0.00 0.00 52.55 52.79 3kxf s ASP 56 Cb -0.05 -0.12 -0.14 0.00 1.01 0.00 0.00 42.92 43.61 3kxf s ASP 56 CO -0.00 0.11 1.47 0.29 0.21 0.00 0.00 175.17 177.25 3kxf n LYS 57 N 2.86 1.88 0.00 8.23 4.76 -1.26 -2.08 118.16 132.56 3kxf n LYS 57 Ca -0.14 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 3kxf n LYS 57 Cb 0.57 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 3kxf n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kxf n GLY 58 N 2.88 0.81 0.06 0.72 0.00 0.45 -4.83 105.19 105.28 3kxf n GLY 58 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 3kxf n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kxf n GLU 59 N 0.00 1.27 -3.22 1.61 2.13 0.13 -4.78 120.64 117.78 3kxf n GLU 59 Ca 0.00 0.04 -0.26 0.00 0.66 0.00 0.00 57.16 57.59 3kxf n GLU 59 Cb 0.00 -1.25 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 3kxf n GLU 59 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3kxf n VAL 60 N -2.63 2.36 1.41 6.31 0.24 -0.82 -4.93 118.33 120.27 3kxf n VAL 60 Ca -0.19 -5.27 0.14 0.00 -2.04 0.00 0.00 64.34 56.98 3kxf n VAL 60 Cb 0.77 -1.75 0.50 0.00 -1.47 0.00 0.00 33.84 31.89 3kxf n VAL 60 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3kxf n PRO 61 N 0.44 1.19 -2.68 7.34 -0.04 -1.25 -4.69 135.00 135.31 3kxf n PRO 61 Ca 0.30 -0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 62.69 3kxf n PRO 61 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 3kxf n PRO 61 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3kxf s ASN 62 N -2.25 7.35 0.00 3.54 0.01 -1.26 -2.50 114.94 119.82 3kxf s ASN 62 Ca 0.32 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 54.18 3kxf s ASN 62 Cb 0.20 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.29 3kxf s ASN 62 CO 0.43 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 3kxf n GLY 63 N 2.90 0.78 3.26 0.66 0.00 -1.26 -5.05 105.19 106.48 3kxf n GLY 63 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3kxf n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kxf s TYR 64 N -2.73 1.60 0.00 1.61 1.51 -1.04 -4.25 117.35 114.06 3kxf s TYR 64 Ca 0.00 -0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 3kxf s TYR 64 Cb 0.00 -0.86 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 3kxf s TYR 64 CO 0.00 0.18 0.16 1.21 -1.11 0.00 0.00 175.55 175.99 3kxf s ASN 65 N -2.05 -0.00 0.08 2.29 3.04 -0.70 -4.98 114.94 112.61 3kxf s ASN 65 Ca 0.06 -0.18 0.06 0.00 0.04 0.00 0.00 52.86 52.84 3kxf s ASN 65 Cb -0.09 0.22 -0.03 0.00 -1.54 0.00 0.00 41.25 39.82 3kxf s ASN 65 CO 0.04 -0.40 -0.16 0.68 -3.04 0.00 0.00 177.10 174.22 3kxf s VAL 66 N -1.47 1.31 -0.05 -5.21 -7.23 -1.26 0.22 120.40 106.70 3kxf s VAL 66 Ca -0.14 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 3kxf s VAL 66 Cb -0.07 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.67 3kxf s VAL 66 CO 0.02 -0.14 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.09 3kxf s SER 67 N -1.72 1.05 -0.23 4.85 0.15 -1.02 -5.01 113.70 111.77 3kxf s SER 67 Ca 0.01 -0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.53 3kxf s SER 67 Cb -0.10 -0.42 0.12 0.00 -1.71 0.00 0.00 66.02 63.92 3kxf s SER 67 CO 0.03 -0.10 0.34 -0.60 1.20 0.00 0.00 173.24 174.11 3kxf s ARG 68 N 1.21 0.31 0.00 5.44 3.52 -1.26 -2.22 118.95 125.95 3kxf s ARG 68 Ca -0.07 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 3kxf s ARG 68 Cb -0.14 -0.65 0.00 0.00 -1.56 0.00 0.00 34.95 32.60 3kxf s ARG 68 CO -0.02 -0.65 0.00 -0.11 -0.81 0.00 0.00 175.30 173.72 3kxf n LEU 69 N 5.35 0.00 0.00 -0.88 0.00 -1.26 -2.31 117.00 117.90 3kxf n LEU 69 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.97 3kxf n LEU 69 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 3kxf n LEU 69 CO 0.07 0.00 0.00 -0.46 0.00 0.00 0.00 177.39 177.00 3kxf n ASN 70 N 0.00 1.27 0.05 1.96 6.94 -1.26 -4.90 115.26 119.32 3kxf n ASN 70 Ca 0.00 -0.41 -0.17 0.00 -0.02 0.00 0.00 54.58 53.98 3kxf n ASN 70 Cb 0.00 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 3kxf n ASN 70 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3kxf h LYS 71 N 0.00 0.57 0.15 -3.83 3.64 -1.97 -3.36 116.57 111.78 3kxf h LYS 71 Ca 0.00 -0.59 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 3kxf h LYS 71 Cb 0.00 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3kxf h LYS 71 CO 0.00 1.21 -0.20 0.00 -2.27 0.00 0.00 179.45 178.19 3kxf h ARG 72 N 0.33 -0.39 -6.18 1.90 3.08 -1.93 -3.46 114.38 107.72 3kxf h ARG 72 Ca -0.10 0.03 -0.51 0.00 0.07 0.00 0.00 59.98 59.47 3kxf h ARG 72 Cb 1.60 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.70 3kxf h ARG 72 CO 0.18 -0.26 -0.48 -1.21 -1.07 0.00 0.00 179.97 177.13 3kxf s GLU 73 N -6.10 2.68 -0.27 0.04 2.02 -1.26 -2.00 118.70 113.81 3kxf s GLU 73 Ca -0.15 -1.31 -0.04 0.00 0.02 0.00 0.00 54.97 53.49 3kxf s GLU 73 Cb 0.07 -2.43 0.15 0.00 0.10 0.00 0.00 34.13 32.02 3kxf s GLU 73 CO 0.65 0.13 0.52 0.12 0.02 0.00 0.00 175.26 176.71 3kxf s PHE 74 N -2.31 -1.24 -0.12 1.61 5.36 -0.40 -4.50 117.98 116.38 3kxf s PHE 74 Ca 0.39 1.54 -0.06 0.00 -0.96 0.00 0.00 56.93 57.84 3kxf s PHE 74 Cb -0.05 0.41 -0.04 0.00 -0.34 0.00 0.00 43.02 43.00 3kxf s PHE 74 CO 0.26 -0.75 0.10 -1.12 -1.46 0.00 0.00 175.22 172.24 3kxf s SER 75 N 2.74 6.04 -0.13 6.13 0.01 -0.94 -3.42 113.70 124.13 3kxf s SER 75 Ca 0.12 0.36 -0.06 0.00 1.31 0.00 0.00 55.95 57.67 3kxf s SER 75 Cb -0.14 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 3kxf s SER 75 CO -0.18 0.38 0.07 -0.22 0.41 0.00 0.00 173.24 173.70 3kxf s LEU 76 N -0.87 3.94 -0.07 2.44 2.96 -1.05 -2.42 118.68 123.61 3kxf s LEU 76 Ca 0.14 0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 3kxf s LEU 76 Cb -0.12 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 3kxf s LEU 76 CO 0.03 0.31 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.56 3kxf s ARG 77 N -0.44 2.48 -0.57 1.98 3.52 0.13 -0.61 118.95 125.44 3kxf s ARG 77 Ca 0.10 -0.77 -0.10 0.00 -0.13 0.00 0.00 55.73 54.83 3kxf s ARG 77 Cb -0.12 -1.99 0.15 0.00 -1.56 0.00 0.00 34.95 31.43 3kxf s ARG 77 CO 0.02 0.23 0.46 -0.51 -0.81 0.00 0.00 175.30 174.68 3kxf s LEU 78 N 0.18 5.88 0.13 -0.88 1.02 -0.80 -1.72 118.68 122.49 3kxf s LEU 78 Ca -0.11 -2.19 -0.14 0.00 0.02 0.00 0.00 54.13 51.71 3kxf s LEU 78 Cb -0.15 -2.05 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 3kxf s LEU 78 CO 0.05 -0.64 1.54 1.05 0.02 0.00 0.00 176.35 178.38 3kxf h GLU 79 N 8.15 0.76 -3.88 1.70 9.09 -1.82 -2.57 114.58 126.02 3kxf h GLU 79 Ca -0.13 -0.28 -0.54 0.00 0.05 0.00 0.00 59.36 58.46 3kxf h GLU 79 Cb 1.05 -0.05 -0.39 0.00 -1.65 0.00 0.00 28.75 27.71 3kxf h GLU 79 CO 0.84 0.88 -0.78 0.45 0.05 0.00 0.00 179.01 180.46 3kxf s SER 80 N -6.35 2.95 0.64 3.06 0.15 -1.26 -4.24 113.70 108.65 3kxf s SER 80 Ca -0.13 -0.78 -0.16 0.00 0.70 0.00 0.00 55.95 55.59 3kxf s SER 80 Cb 0.10 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.62 3kxf s SER 80 CO 0.81 -0.25 1.11 0.00 1.20 0.00 0.00 173.24 176.12 3kxf s ALA 81 N 1.72 2.51 -0.14 5.45 0.00 -0.78 -4.86 121.76 125.66 3kxf s ALA 81 Ca -0.01 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3kxf s ALA 81 Cb -0.16 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.68 3kxf s ALA 81 CO -0.07 -1.20 0.50 0.00 0.00 0.00 0.00 175.76 174.99 3kxf s ALA 82 N -2.27 -1.25 0.54 0.00 0.00 -1.26 -2.46 121.76 115.05 3kxf s ALA 82 Ca 0.68 1.21 0.40 0.00 0.00 0.00 0.00 51.96 54.25 3kxf s ALA 82 Cb -0.21 -0.53 1.59 0.00 0.00 0.00 0.00 23.12 23.97 3kxf s ALA 82 CO 0.39 -0.27 1.72 -1.35 0.00 0.00 0.00 175.76 176.26 3kxf h PRO 83 N 4.68 0.02 0.00 0.00 0.11 -1.95 0.34 132.00 135.20 3kxf h PRO 83 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kxf h PRO 83 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kxf h PRO 83 CO 0.26 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 176.93 3kxf n SER 84 N -4.15 0.00 0.00 -2.05 3.41 -1.26 -2.45 113.62 107.12 3kxf n SER 84 Ca 0.32 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 3kxf n SER 84 Cb 1.48 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 3kxf n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kxf n GLN 85 N -1.37 0.07 -1.57 4.33 6.02 0.12 -4.82 117.38 120.16 3kxf n GLN 85 Ca 0.08 -0.01 -0.49 0.00 -0.01 0.00 0.00 57.00 56.57 3kxf n GLN 85 Cb 0.19 -1.51 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 3kxf n GLN 85 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3kxf n THR 86 N -1.59 0.34 -3.91 5.09 -1.04 -1.03 -4.82 114.28 107.32 3kxf n THR 86 Ca 0.04 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3kxf n THR 86 Cb 0.36 -1.82 0.01 0.00 -1.82 0.00 0.00 70.33 67.06 3kxf n THR 86 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3kxf n SER 87 N 8.78 -1.17 -4.24 8.00 2.88 -0.99 -4.99 113.62 121.89 3kxf n SER 87 Ca 0.33 -1.44 -0.35 0.00 -1.33 0.00 0.00 58.87 56.08 3kxf n SER 87 Cb 0.27 1.86 -0.14 0.00 -0.75 0.00 0.00 64.21 65.45 3kxf n SER 87 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kxf s VAL 88 N -2.09 3.07 -0.18 2.46 1.01 -0.90 -1.46 120.40 122.31 3kxf s VAL 88 Ca 0.22 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 3kxf s VAL 88 Cb -0.01 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3kxf s VAL 88 CO 0.02 0.30 0.17 -0.31 0.00 0.00 0.00 175.10 175.28 3kxf s TYR 89 N 1.39 3.45 -0.03 5.22 1.51 -0.84 0.17 117.35 128.21 3kxf s TYR 89 Ca 0.03 0.42 0.06 0.00 -1.01 0.00 0.00 57.07 56.57 3kxf s TYR 89 Cb -0.15 -2.18 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 3kxf s TYR 89 CO -0.04 0.33 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.45 3kxf s PHE 90 N 0.22 2.46 -0.19 2.71 0.08 0.67 -1.35 117.98 122.57 3kxf s PHE 90 Ca 0.11 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 56.74 3kxf s PHE 90 Cb -0.12 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 3kxf s PHE 90 CO 0.00 0.02 -0.00 0.00 -0.10 0.00 0.00 175.22 175.14 3kxf s ALA 92 N 0.84 1.47 -0.43 0.00 0.00 -0.25 -0.66 121.76 122.73 3kxf s ALA 92 Ca 0.01 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.25 3kxf s ALA 92 Cb -0.14 -0.36 0.23 0.00 0.00 0.00 0.00 23.12 22.85 3kxf s ALA 92 CO 0.02 0.35 0.62 0.45 0.00 0.00 0.00 175.76 177.20 3kxf n SER 93 N 2.52 -1.00 -4.75 0.00 2.88 -0.87 0.09 113.62 112.49 3kxf n SER 93 Ca -0.15 -2.84 -0.41 0.00 -1.33 0.00 0.00 58.87 54.14 3kxf n SER 93 Cb 0.54 0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 64.19 3kxf n SER 93 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3kxf s PRO 94 N -0.38 4.39 0.00 -1.46 0.04 -1.26 -4.71 135.00 131.62 3kxf s PRO 94 Ca 0.34 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3kxf s PRO 94 Cb 0.16 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3kxf s PRO 94 CO -0.16 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.11 3kxf n GLY 95 N 1.51 6.51 0.09 0.56 0.00 -1.26 -4.97 105.19 107.64 3kxf n GLY 95 Ca 0.03 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 3kxf n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kxf n LEU 96 N 0.00 1.08 -4.01 0.99 4.77 -1.26 -4.58 117.00 114.00 3kxf n LEU 96 Ca 0.00 0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.85 3kxf n LEU 96 Cb 0.00 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3kxf n LEU 96 CO 0.00 0.50 1.18 0.00 -1.33 0.00 0.00 177.39 177.73 3kxf n ALA 97 N -2.68 5.17 -0.20 -1.18 0.00 -1.26 -4.84 120.51 115.52 3kxf n ALA 97 Ca -0.23 -4.77 -0.09 0.00 0.00 0.00 0.00 53.44 48.36 3kxf n ALA 97 Cb 1.07 -2.40 0.02 0.00 0.00 0.00 0.00 19.45 18.14 3kxf n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kxf h GLY 98 N 5.63 0.96 1.45 0.00 0.00 -1.84 -3.12 103.07 106.16 3kxf h GLY 98 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3kxf h GLY 98 CO 1.34 0.57 0.01 -1.84 0.00 0.00 0.00 176.54 176.62 3kxf n GLU 99 N -4.39 0.00 -1.59 4.80 0.00 -1.26 -1.90 120.64 116.29 3kxf n GLU 99 Ca 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 57.16 57.42 3kxf n GLU 99 Cb 0.24 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.18 3kxf n GLU 99 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 3kxf n TYR 100 N -1.23 -0.03 -3.77 -1.84 4.11 -1.20 -5.10 117.16 108.10 3kxf n TYR 100 Ca 0.00 -0.80 -0.13 0.00 -0.00 0.00 0.00 57.90 56.97 3kxf n TYR 100 Cb 0.01 0.20 -0.11 0.00 -0.00 0.00 0.00 39.34 39.44 3kxf n TYR 100 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 3kxf s GLU 101 N -0.44 0.40 -0.40 -3.48 2.02 -0.80 -5.05 118.70 110.95 3kxf s GLU 101 Ca 0.20 0.36 -0.20 0.00 0.02 0.00 0.00 54.97 55.35 3kxf s GLU 101 Cb 0.26 0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.69 3kxf s GLU 101 CO -0.09 -0.06 0.61 -1.14 0.02 0.00 0.00 175.26 174.59 3kxf s GLN 102 N -0.01 3.45 -0.19 1.61 2.00 -1.26 -4.71 119.66 120.54 3kxf s GLN 102 Ca -0.02 -0.23 0.15 0.00 -2.00 0.00 0.00 55.36 53.27 3kxf s GLN 102 Cb -0.03 -3.89 0.70 0.00 0.80 0.00 0.00 33.01 30.59 3kxf s GLN 102 CO 0.01 -0.86 1.61 0.66 -0.50 0.00 0.00 175.29 176.21 3kxf n TYR 103 N 6.08 1.57 -3.89 1.67 0.53 -1.26 -2.85 117.16 119.00 3kxf n TYR 103 Ca -0.02 -0.75 -0.13 0.00 -1.02 0.00 0.00 57.90 55.98 3kxf n TYR 103 Cb 0.48 -0.39 -0.14 0.00 -1.03 0.00 0.00 39.34 38.26 3kxf n TYR 103 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3kxf s PHE 104 N -2.58 0.06 0.92 -0.72 0.40 -1.26 -2.04 117.98 112.75 3kxf s PHE 104 Ca 0.49 0.00 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 3kxf s PHE 104 Cb 0.37 -0.06 0.14 0.00 0.51 0.00 0.00 43.02 43.98 3kxf s PHE 104 CO 0.15 -0.01 1.10 0.20 0.70 0.00 0.00 175.22 177.36 3kxf s GLY 105 N 0.09 1.64 0.08 4.36 0.00 0.17 -4.74 107.32 108.92 3kxf s GLY 105 Ca -0.01 0.17 0.14 0.00 0.00 0.00 0.00 44.72 45.02 3kxf s GLY 105 CO -0.00 0.64 1.44 -1.05 0.00 0.00 0.00 173.10 174.13 3kxf n PRO 106 N -4.07 0.05 0.00 2.90 -0.02 -1.26 -4.74 135.00 127.86 3kxf n PRO 106 Ca 0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3kxf n PRO 106 Cb 0.54 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3kxf n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kxf n GLY 107 N -0.40 -0.95 3.22 -1.23 0.00 -1.26 -5.00 105.19 99.57 3kxf n GLY 107 Ca 0.02 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 3kxf n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kxf s THR 108 N -2.35 2.96 0.06 2.61 -4.23 -0.45 -4.70 115.64 109.54 3kxf s THR 108 Ca 0.00 -0.89 -0.31 0.00 -1.18 0.00 0.00 61.69 59.32 3kxf s THR 108 Cb 0.00 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 3kxf s THR 108 CO 0.00 0.27 1.18 -0.13 -0.54 0.00 0.00 174.62 175.41 3kxf s ARG 109 N 1.36 4.44 -0.00 3.99 1.81 0.05 -1.99 118.95 128.61 3kxf s ARG 109 Ca 0.02 1.75 0.02 0.00 -1.72 0.00 0.00 55.73 55.80 3kxf s ARG 109 Cb -0.16 -3.36 -0.01 0.00 -0.45 0.00 0.00 34.95 30.98 3kxf s ARG 109 CO -0.05 -0.25 -0.08 -1.17 -0.68 0.00 0.00 175.30 173.08 3kxf s LEU 110 N 1.07 2.03 -0.05 2.53 0.20 -0.54 -2.08 118.68 121.84 3kxf s LEU 110 Ca 0.58 -0.16 -0.02 0.00 0.69 0.00 0.00 54.13 55.22 3kxf s LEU 110 Cb -0.29 -0.37 0.03 0.00 -0.43 0.00 0.00 46.19 45.13 3kxf s LEU 110 CO 0.29 0.08 0.05 -0.89 -0.29 0.00 0.00 176.35 175.59 3kxf s THR 111 N -0.24 -0.04 -0.27 3.68 2.01 -1.04 -2.34 115.64 117.40 3kxf s THR 111 Ca 0.02 0.35 -0.10 0.00 0.31 0.00 0.00 61.69 62.27 3kxf s THR 111 Cb -0.03 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 3kxf s THR 111 CO -0.00 0.17 0.17 -0.69 -0.69 0.00 0.00 174.62 173.57 3kxf s VAL 112 N 2.14 5.20 0.33 3.82 1.01 -1.26 -1.82 120.40 129.82 3kxf s VAL 112 Ca 0.05 0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.26 3kxf s VAL 112 Cb -0.12 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 3kxf s VAL 112 CO -0.04 0.29 -0.09 0.28 0.00 0.00 0.00 175.10 175.54 3kxf s THR 113 N 1.56 2.35 -0.01 3.92 -1.32 0.33 -4.47 115.64 118.00 3kxf s THR 113 Ca 0.07 -2.19 -0.17 0.00 -1.21 0.00 0.00 61.69 58.19 3kxf s THR 113 Cb -0.15 -2.63 -0.09 0.00 -1.51 0.00 0.00 72.50 68.11 3kxf s THR 113 CO 0.09 -0.23 0.83 -0.08 -2.21 0.00 0.00 174.62 173.02 3kxf h GLU 114 N 2.02 -0.59 -6.18 7.08 4.57 -1.96 0.30 114.58 119.82 3kxf h GLU 114 Ca -0.42 0.04 -0.56 0.00 -1.18 0.00 0.00 59.36 57.24 3kxf h GLU 114 Cb 1.25 0.13 -0.20 0.00 -0.16 0.00 0.00 28.75 29.77 3kxf h GLU 114 CO 0.68 -0.39 -0.82 0.34 -1.18 0.00 0.00 179.01 177.65 3kxf s ASP 115 N -4.15 2.69 0.00 1.04 -1.08 -1.26 -4.49 116.67 109.42 3kxf s ASP 115 Ca -0.09 -0.75 0.30 0.00 -0.52 0.00 0.00 52.55 51.49 3kxf s ASP 115 Cb 0.01 -0.16 1.52 0.00 -1.46 0.00 0.00 42.92 42.83 3kxf s ASP 115 CO 0.27 0.04 2.05 0.18 0.52 0.00 0.00 175.17 178.23 3kxf n LEU 116 N 0.79 0.08 0.00 -1.34 4.77 -1.26 -2.50 117.00 117.54 3kxf n LEU 116 Ca -0.17 0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.15 3kxf n LEU 116 Cb 0.55 -0.23 0.64 0.00 -2.33 0.00 0.00 43.42 42.04 3kxf n LEU 116 CO 0.25 0.01 0.95 2.29 -1.33 0.00 0.00 177.39 179.57 3kxf n LYS 117 N -1.20 0.18 0.00 3.23 -0.00 -1.26 -2.88 118.16 116.24 3kxf n LYS 117 Ca 0.16 0.03 0.14 0.00 -0.00 0.00 0.00 58.31 58.63 3kxf n LYS 117 Cb 0.23 -1.50 0.56 0.00 -0.00 0.00 0.00 35.03 34.32 3kxf n LYS 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kxf n ASN 118 N -1.40 0.12 -4.69 -5.58 5.03 -1.04 -4.82 115.26 102.88 3kxf n ASN 118 Ca 0.10 0.25 -0.42 0.00 0.87 0.00 0.00 54.58 55.37 3kxf n ASN 118 Cb 0.28 -0.31 -0.03 0.00 -1.02 0.00 0.00 39.78 38.69 3kxf n ASN 118 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3kxf s VAL 119 N -2.94 4.33 -0.03 2.41 1.01 -1.14 -4.57 120.40 119.46 3kxf s VAL 119 Ca 0.15 1.65 0.01 0.00 0.00 0.00 0.00 61.98 63.80 3kxf s VAL 119 Cb 0.19 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3kxf s VAL 119 CO 0.56 0.01 -0.05 -0.36 0.00 0.00 0.00 175.10 175.26 3kxf s PHE 120 N 2.05 0.69 0.68 5.22 0.08 0.18 -4.82 117.98 122.06 3kxf s PHE 120 Ca 0.55 -0.17 -0.11 0.00 0.12 0.00 0.00 56.93 57.32 3kxf s PHE 120 Cb -0.24 -0.57 -0.00 0.00 -0.57 0.00 0.00 43.02 41.64 3kxf s PHE 120 CO 0.22 -0.13 1.06 -1.25 -0.10 0.00 0.00 175.22 175.02 3kxf s PRO 121 N 0.58 3.09 0.52 0.24 0.04 -1.26 -1.02 135.00 137.17 3kxf s PRO 121 Ca -0.08 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 61.48 3kxf s PRO 121 Cb -0.11 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3kxf s PRO 121 CO 0.00 -0.92 0.99 -1.25 0.04 0.00 0.00 177.00 175.86 3kxf s PRO 122 N -5.21 3.92 -0.22 0.56 0.04 -1.26 -4.37 135.00 128.45 3kxf s PRO 122 Ca 0.57 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.48 3kxf s PRO 122 Cb -0.12 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 3kxf s PRO 122 CO 0.53 -0.30 0.14 -1.21 0.04 0.00 0.00 177.00 176.20 3kxf s GLU 123 N -4.06 4.09 -0.22 4.56 2.02 0.49 -4.88 118.70 120.71 3kxf s GLU 123 Ca 0.59 -0.27 -0.02 0.00 0.02 0.00 0.00 54.97 55.29 3kxf s GLU 123 Cb -0.10 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.68 3kxf s GLU 123 CO 0.31 0.16 -0.08 0.08 0.02 0.00 0.00 175.26 175.75 3kxf s VAL 124 N 0.76 3.01 -0.04 2.63 1.01 -1.26 -0.30 120.40 126.21 3kxf s VAL 124 Ca 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3kxf s VAL 124 Cb -0.13 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 3kxf s VAL 124 CO 0.02 0.41 -0.16 0.00 0.00 0.00 0.00 175.10 175.37 3kxf s ALA 125 N 1.41 1.42 -0.17 5.51 0.00 -0.75 -4.31 121.76 124.88 3kxf s ALA 125 Ca 0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 3kxf s ALA 125 Cb -0.14 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3kxf s ALA 125 CO -0.06 0.24 0.21 0.08 0.00 0.00 0.00 175.76 176.24 3kxf s VAL 126 N 0.13 5.36 -0.17 0.00 1.01 -1.26 -1.08 120.40 124.38 3kxf s VAL 126 Ca -0.05 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3kxf s VAL 126 Cb -0.12 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3kxf s VAL 126 CO 0.02 0.42 0.04 -0.36 0.00 0.00 0.00 175.10 175.23 3kxf s PHE 127 N 0.34 3.21 0.32 5.22 0.40 0.19 -4.98 117.98 122.68 3kxf s PHE 127 Ca 0.13 0.01 -0.18 0.00 -0.60 0.00 0.00 56.93 56.29 3kxf s PHE 127 Cb -0.12 -2.04 -0.09 0.00 0.51 0.00 0.00 43.02 41.27 3kxf s PHE 127 CO 0.01 0.13 0.78 -1.21 0.70 0.00 0.00 175.22 175.64 3kxf s GLU 128 N 0.31 4.12 1.00 0.44 2.02 -1.26 -2.14 118.70 123.20 3kxf s GLU 128 Ca 0.02 0.82 -0.12 0.00 0.02 0.00 0.00 54.97 55.71 3kxf s GLU 128 Cb -0.13 -2.51 0.17 0.00 0.10 0.00 0.00 34.13 31.77 3kxf s GLU 128 CO 0.01 0.18 0.95 -2.30 0.02 0.00 0.00 175.26 174.12 3kxf n PRO 129 N -0.13 -1.03 -4.02 0.39 -0.02 -1.23 -4.93 135.00 124.03 3kxf n PRO 129 Ca 0.03 -0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.02 3kxf n PRO 129 Cb 0.53 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 3kxf n PRO 129 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kxf s SER 130 N -2.45 5.99 0.18 2.55 1.04 -1.26 -5.02 113.70 114.72 3kxf s SER 130 Ca 0.65 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.93 3kxf s SER 130 Cb -0.23 -1.69 0.15 0.00 0.10 0.00 0.00 66.02 64.36 3kxf s SER 130 CO 0.62 -0.00 1.73 -0.08 0.98 0.00 0.00 173.24 176.49 3kxf h GLU 131 N 1.77 0.27 -0.04 4.02 4.81 -1.99 -2.52 114.58 120.89 3kxf h GLU 131 Ca -0.49 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.74 3kxf h GLU 131 Cb 1.22 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 3kxf h GLU 131 CO 0.63 0.18 -0.09 0.00 -0.73 0.00 0.00 179.01 179.00 3kxf h ALA 132 N 1.33 -0.06 -0.36 2.92 0.00 -1.98 -1.88 119.26 119.22 3kxf h ALA 132 Ca 0.22 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3kxf h ALA 132 Cb 0.26 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kxf h ALA 132 CO -0.26 -0.57 0.14 1.49 0.00 0.00 0.00 179.25 180.04 3kxf h GLU 133 N -0.13 0.55 -0.66 0.00 4.81 -1.87 -0.10 114.58 117.18 3kxf h GLU 133 Ca 0.05 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3kxf h GLU 133 Cb 0.20 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3kxf h GLU 133 CO -0.12 0.55 0.22 0.82 -0.73 0.00 0.00 179.01 179.74 3kxf h ILE 134 N 0.44 1.24 0.00 2.32 2.04 -1.33 -1.67 117.51 120.55 3kxf h ILE 134 Ca 0.12 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 3kxf h ILE 134 Cb 0.21 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3kxf h ILE 134 CO -0.01 0.32 -0.78 0.77 0.00 0.00 0.00 178.15 178.44 3kxf h SER 135 N 0.96 0.00 0.12 1.72 4.64 -1.25 -2.40 113.55 117.34 3kxf h SER 135 Ca 0.22 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.28 3kxf h SER 135 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3kxf h SER 135 CO -0.01 0.25 -1.28 -0.74 -0.87 0.00 0.00 176.83 174.18 3kxf h HIS 136 N 0.00 0.47 0.00 4.77 -0.00 -0.86 -3.40 115.15 116.13 3kxf h HIS 136 Ca -0.04 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 3kxf h HIS 136 Cb 1.23 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3kxf h HIS 136 CO 0.00 1.50 -0.55 0.25 -0.00 0.00 0.00 177.93 179.12 3kxf n THR 137 N -3.97 0.00 -2.72 6.26 -2.24 -0.64 -5.00 114.28 105.97 3kxf n THR 137 Ca -0.22 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 3kxf n THR 137 Cb 0.89 0.91 0.02 0.00 -2.10 0.00 0.00 70.33 70.04 3kxf n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kxf n GLN 138 N -1.29 -3.34 -4.15 -0.78 1.13 -0.90 -5.01 117.38 103.03 3kxf n GLN 138 Ca 0.01 0.86 -0.10 0.00 -1.94 0.00 0.00 57.00 55.84 3kxf n GLN 138 Cb 0.15 -5.50 -0.10 0.00 0.11 0.00 0.00 30.24 24.91 3kxf n GLN 138 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3kxf s LYS 139 N -5.34 0.78 -0.09 -1.09 -0.14 -1.25 -2.61 119.74 110.00 3kxf s LYS 139 Ca 0.17 -1.30 0.00 0.00 -1.36 0.00 0.00 55.97 53.48 3kxf s LYS 139 Cb -0.07 -0.11 0.02 0.00 -1.68 0.00 0.00 37.83 35.98 3kxf s LYS 139 CO 0.21 -0.04 -0.08 0.00 -0.76 0.00 0.00 175.35 174.68 3kxf s ALA 140 N -3.67 1.18 -0.20 5.17 0.00 -0.51 -3.23 121.76 120.50 3kxf s ALA 140 Ca 0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 3kxf s ALA 140 Cb 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3kxf s ALA 140 CO -0.06 -0.22 0.02 0.99 0.00 0.00 0.00 175.76 176.48 3kxf s THR 141 N 1.34 4.18 -0.09 0.00 2.01 -1.26 -0.22 115.64 121.60 3kxf s THR 141 Ca -0.02 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 3kxf s THR 141 Cb -0.14 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3kxf s THR 141 CO -0.04 0.43 0.21 -0.76 -0.69 0.00 0.00 174.62 173.77 3kxf s LEU 142 N 0.84 4.41 -0.09 4.42 1.02 0.24 -3.50 118.68 126.03 3kxf s LEU 142 Ca 0.01 0.59 0.02 0.00 0.02 0.00 0.00 54.13 54.78 3kxf s LEU 142 Cb -0.14 -2.20 -0.02 0.00 0.02 0.00 0.00 46.19 43.85 3kxf s LEU 142 CO 0.02 0.38 -0.16 -0.69 0.02 0.00 0.00 176.35 175.93 3kxf s VAL 143 N -1.02 2.85 -0.09 -1.59 1.01 -0.91 -0.43 120.40 120.22 3kxf s VAL 143 Ca 0.17 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 3kxf s VAL 143 Cb -0.13 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3kxf s VAL 143 CO 0.06 0.56 -0.05 0.00 0.00 0.00 0.00 175.10 175.66 3kxf s LEU 145 N -0.55 1.82 -0.31 0.00 2.96 -0.24 -0.88 118.68 121.48 3kxf s LEU 145 Ca 0.08 -1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 52.58 3kxf s LEU 145 Cb -0.12 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 3kxf s LEU 145 CO 0.02 -0.35 0.49 0.00 -1.32 0.00 0.00 176.35 175.19 3kxf s ALA 146 N 1.70 3.52 0.22 5.97 0.00 -0.30 -1.81 121.76 131.06 3kxf s ALA 146 Ca 0.03 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.18 3kxf s ALA 146 Cb -0.17 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 3kxf s ALA 146 CO -0.16 -1.00 -0.11 0.95 0.00 0.00 0.00 175.76 175.44 3kxf s THR 147 N 2.31 1.62 -1.17 0.00 -4.23 0.59 -0.95 115.64 113.82 3kxf s THR 147 Ca 0.19 -2.17 -0.05 0.00 -1.18 0.00 0.00 61.69 58.48 3kxf s THR 147 Cb -0.16 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 3kxf s THR 147 CO 0.12 -0.51 0.87 0.61 -0.54 0.00 0.00 174.62 175.16 3kxf n GLY 148 N -0.42 -0.72 3.16 3.99 0.00 -1.10 -0.38 105.19 109.73 3kxf n GLY 148 Ca -0.07 0.33 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3kxf n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kxf s PHE 149 N -3.46 1.42 -0.18 1.61 -0.71 -1.00 -4.48 117.98 111.17 3kxf s PHE 149 Ca 0.23 -0.32 -0.10 0.00 -1.04 0.00 0.00 56.93 55.70 3kxf s PHE 149 Cb -0.05 -0.87 0.06 0.00 -1.21 0.00 0.00 43.02 40.96 3kxf s PHE 149 CO 0.77 0.03 0.44 -0.47 -1.34 0.00 0.00 175.22 174.65 3kxf s TYR 150 N -0.65 -0.66 0.79 3.49 5.04 -0.19 0.14 117.35 125.30 3kxf s TYR 150 Ca 0.05 1.39 -0.13 0.00 -2.44 0.00 0.00 57.07 55.94 3kxf s TYR 150 Cb -0.07 0.31 0.18 0.00 0.35 0.00 0.00 41.96 42.73 3kxf s TYR 150 CO 0.01 -0.37 1.07 -0.35 -1.34 0.00 0.00 175.55 174.57 3kxf n PRO 151 N 4.32 -0.99 -0.68 4.97 -0.04 -1.26 0.51 135.00 141.83 3kxf n PRO 151 Ca -0.22 -1.72 -0.09 0.00 -0.04 0.00 0.00 63.50 61.42 3kxf n PRO 151 Cb 0.55 -1.08 0.03 0.00 -0.04 0.00 0.00 33.50 32.96 3kxf n PRO 151 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3kxf n ASP 152 N -3.65 5.61 -4.35 3.54 5.68 -1.26 -4.81 116.55 117.31 3kxf n ASP 152 Ca 0.14 -2.75 -0.46 0.00 -0.50 0.00 0.00 54.79 51.21 3kxf n ASP 152 Cb 0.47 -1.02 -0.02 0.00 -1.14 0.00 0.00 41.12 39.42 3kxf n ASP 152 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3kxf s HIS 153 N -1.06 3.78 0.04 2.11 3.76 -1.26 -5.01 115.29 117.65 3kxf s HIS 153 Ca 0.18 -2.05 -0.01 0.00 -0.15 0.00 0.00 55.06 53.03 3kxf s HIS 153 Cb 0.14 -3.88 -0.03 0.00 1.11 0.00 0.00 32.58 29.92 3kxf s HIS 153 CO 0.00 -1.04 -0.02 0.14 -0.85 0.00 0.00 174.74 172.97 3kxf s VAL 154 N 0.20 0.18 -0.11 -0.90 -7.23 -1.26 -1.65 120.40 109.64 3kxf s VAL 154 Ca 0.22 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 3kxf s VAL 154 Cb -0.09 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.79 3kxf s VAL 154 CO -0.09 -0.83 0.01 -1.61 -0.31 0.00 0.00 175.10 172.28 3kxf s GLU 155 N -3.09 0.66 -0.33 4.82 2.02 -0.61 -4.94 118.70 117.22 3kxf s GLU 155 Ca -0.01 -0.05 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 3kxf s GLU 155 Cb 0.02 -1.31 0.02 0.00 0.10 0.00 0.00 34.13 32.96 3kxf s GLU 155 CO -0.07 -0.39 0.14 -1.17 0.02 0.00 0.00 175.26 173.79 3kxf s LEU 156 N 1.93 4.28 -0.04 1.80 0.20 -1.26 -0.82 118.68 124.77 3kxf s LEU 156 Ca 0.03 -0.86 0.06 0.00 0.69 0.00 0.00 54.13 54.05 3kxf s LEU 156 Cb -0.14 -1.95 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 3kxf s LEU 156 CO -0.06 -0.28 -0.21 -0.94 -0.29 0.00 0.00 176.35 174.57 3kxf s SER 157 N 1.52 2.53 0.17 3.68 1.04 -0.39 -4.99 113.70 117.26 3kxf s SER 157 Ca 0.02 -0.41 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 3kxf s SER 157 Cb -0.18 -0.57 -0.07 0.00 0.10 0.00 0.00 66.02 65.29 3kxf s SER 157 CO 0.05 0.21 0.56 0.26 0.98 0.00 0.00 173.24 175.30 3kxf s TRP 158 N -0.18 3.55 -0.20 5.02 0.52 -1.26 -0.72 118.94 125.67 3kxf s TRP 158 Ca -0.00 1.02 -0.02 0.00 0.02 0.00 0.00 56.10 57.12 3kxf s TRP 158 Cb -0.11 -2.35 0.06 0.00 -1.15 0.00 0.00 33.47 29.92 3kxf s TRP 158 CO 0.02 0.37 0.01 -1.58 0.02 0.00 0.00 176.95 175.79 3kxf s TRP 159 N -1.58 1.40 -0.29 -1.98 0.52 0.79 -1.88 118.94 115.92 3kxf s TRP 159 Ca 0.41 -1.07 -0.09 0.00 0.02 0.00 0.00 56.10 55.37 3kxf s TRP 159 Cb -0.14 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 31.00 3kxf s TRP 159 CO 0.20 -0.64 0.12 0.08 0.02 0.00 0.00 176.95 176.73 3kxf s VAL 160 N 1.73 4.45 -1.45 4.03 1.01 -0.38 -1.64 120.40 128.16 3kxf s VAL 160 Ca -0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3kxf s VAL 160 Cb -0.17 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.03 3kxf s VAL 160 CO -0.07 0.13 1.02 0.59 0.00 0.00 0.00 175.10 176.77 3kxf n ASN 161 N 4.95 -4.89 0.00 3.32 3.02 -0.07 -2.43 115.26 119.15 3kxf n ASN 161 Ca -0.14 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 3kxf n ASN 161 Cb 0.49 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 3kxf n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kxf n GLY 162 N -1.76 1.57 3.33 7.41 0.00 -1.26 -5.02 105.19 109.46 3kxf n GLY 162 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3kxf n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kxf s LYS 163 N -0.12 3.25 0.03 1.61 1.02 -1.02 -5.06 119.74 119.45 3kxf s LYS 163 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 3kxf s LYS 163 Cb 0.00 -2.52 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 3kxf s LYS 163 CO 0.00 0.22 1.68 -2.00 -0.92 0.00 0.00 175.35 174.33 3kxf s GLU 164 N 0.31 4.19 0.05 1.68 2.12 -1.26 -1.24 118.70 124.54 3kxf s GLU 164 Ca -0.13 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.51 3kxf s GLU 164 Cb -0.16 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 3kxf s GLU 164 CO 0.06 -0.78 0.17 0.14 -0.54 0.00 0.00 175.26 174.32 3kxf s VAL 165 N 3.23 5.19 0.00 3.70 -7.23 -0.79 -4.93 120.40 119.58 3kxf s VAL 165 Ca 0.75 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 3kxf s VAL 165 Cb -0.38 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.05 3kxf s VAL 165 CO 0.32 0.17 0.00 1.41 -0.31 0.00 0.00 175.10 176.69 3kxf n HIS 166 N 0.44 0.00 -3.48 2.82 -0.00 -1.26 -4.46 115.22 109.28 3kxf n HIS 166 Ca -0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.27 3kxf n HIS 166 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 3kxf n HIS 166 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3kxf s SER 167 N -0.66 6.83 -1.27 0.41 0.15 -1.26 -4.06 113.70 113.85 3kxf s SER 167 Ca 0.00 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.64 3kxf s SER 167 Cb 0.00 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3kxf s SER 167 CO 0.00 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.37 3kxf n GLY 168 N 1.77 0.84 3.53 9.45 0.00 -1.26 -4.88 105.19 114.65 3kxf n GLY 168 Ca -0.13 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 3kxf n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kxf s VAL 169 N -2.53 3.10 -0.16 1.61 1.01 -1.26 -1.31 120.40 120.87 3kxf s VAL 169 Ca 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.46 3kxf s VAL 169 Cb 0.00 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.99 3kxf s VAL 169 CO 0.00 0.11 0.41 0.00 0.00 0.00 0.00 175.10 175.62 3kxf s THR 171 N 0.53 -0.02 0.31 0.00 2.01 -1.26 -1.12 115.64 116.09 3kxf s THR 171 Ca -0.02 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.80 3kxf s THR 171 Cb -0.04 -0.41 -0.16 0.00 0.01 0.00 0.00 72.50 71.89 3kxf s THR 171 CO -0.03 0.03 0.33 0.47 -0.69 0.00 0.00 174.62 174.73 3kxf n ASP 172 N 3.62 -1.91 -0.13 3.53 8.00 -1.07 -4.87 116.55 123.71 3kxf n ASP 172 Ca -0.19 0.97 -0.06 0.00 0.71 0.00 0.00 54.79 56.21 3kxf n ASP 172 Cb 0.56 -0.94 0.02 0.00 -0.02 0.00 0.00 41.12 40.74 3kxf n ASP 172 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3kxf h PRO 173 N 0.70 0.45 -2.84 -0.24 0.11 -2.01 -3.45 132.00 124.72 3kxf h PRO 173 Ca -0.33 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 3kxf h PRO 173 Cb 1.44 -0.10 -0.19 0.00 0.11 0.00 0.00 31.00 32.25 3kxf h PRO 173 CO 0.52 0.30 -0.16 -1.21 -0.21 0.00 0.00 178.00 177.23 3kxf s GLU 174 N -6.15 0.78 0.70 1.05 2.02 -1.26 -5.17 118.70 110.67 3kxf s GLU 174 Ca -0.13 -0.13 -0.15 0.00 0.02 0.00 0.00 54.97 54.58 3kxf s GLU 174 Cb 0.12 0.35 -0.13 0.00 0.10 0.00 0.00 34.13 34.57 3kxf s GLU 174 CO 0.72 -0.23 -0.48 -2.30 0.02 0.00 0.00 175.26 173.00 3kxf n PRO 175 N 1.09 0.00 -4.29 0.39 -0.02 -1.26 -5.00 135.00 125.90 3kxf n PRO 175 Ca -0.21 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.93 3kxf n PRO 175 Cb 0.57 -0.86 -0.14 0.00 -0.02 0.00 0.00 33.50 33.04 3kxf n PRO 175 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kxf s LEU 176 N 5.93 2.83 -0.04 2.45 2.96 1.00 -4.91 118.68 128.90 3kxf s LEU 176 Ca 0.40 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.66 3kxf s LEU 176 Cb -0.26 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3kxf s LEU 176 CO 0.66 0.07 1.51 -0.54 -1.32 0.00 0.00 176.35 176.73 3kxf s LYS 177 N 0.93 4.23 0.00 1.98 1.02 -1.26 -0.77 119.74 125.86 3kxf s LYS 177 Ca -0.01 2.05 -0.18 0.00 0.02 0.00 0.00 55.97 57.85 3kxf s LYS 177 Cb -0.15 -3.76 -0.10 0.00 -0.52 0.00 0.00 37.83 33.30 3kxf s LYS 177 CO 0.00 -0.72 0.93 0.93 -0.92 0.00 0.00 175.35 175.58 3kxf h GLU 178 N 8.59 -0.63 -3.75 1.68 5.08 -1.77 -3.40 114.58 120.39 3kxf h GLU 178 Ca -0.37 0.04 -0.70 0.00 -1.00 0.00 0.00 59.36 57.33 3kxf h GLU 178 Cb 1.17 0.14 -0.34 0.00 0.50 0.00 0.00 28.75 30.22 3kxf h GLU 178 CO 0.94 -0.42 -0.37 -0.65 -1.00 0.00 0.00 179.01 177.51 3kxf s GLN 179 N -3.88 2.54 0.34 2.33 -1.52 -1.26 -4.98 119.66 113.22 3kxf s GLN 179 Ca -0.10 -2.40 0.27 0.00 -1.95 0.00 0.00 55.36 51.18 3kxf s GLN 179 Cb 0.01 -3.75 1.02 0.00 -0.22 0.00 0.00 33.01 30.06 3kxf s GLN 179 CO 0.29 -1.17 1.79 -1.35 -0.25 0.00 0.00 175.29 174.60 3kxf h PRO 180 N 7.26 0.00 -0.24 2.91 0.11 -1.96 -3.10 132.00 136.99 3kxf h PRO 180 Ca -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3kxf h PRO 180 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3kxf h PRO 180 CO 0.72 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.44 3kxf h ALA 181 N 2.22 0.33 -2.75 -0.75 0.00 -1.97 -3.43 119.26 112.90 3kxf h ALA 181 Ca 0.00 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 54.12 3kxf h ALA 181 Cb 0.50 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.24 3kxf h ALA 181 CO 0.00 0.14 0.59 -0.51 0.00 0.00 0.00 179.25 179.46 3kxf s LEU 182 N -9.31 4.46 0.00 0.00 1.43 -1.17 -4.93 118.68 109.15 3kxf s LEU 182 Ca -0.14 2.40 0.29 0.00 -1.03 0.00 0.00 54.13 55.66 3kxf s LEU 182 Cb 0.07 -3.62 1.43 0.00 0.03 0.00 0.00 46.19 44.10 3kxf s LEU 182 CO 0.76 -0.40 2.00 0.59 0.23 0.00 0.00 176.35 179.53 3kxf n ASN 183 N 1.83 0.00 -2.37 2.29 4.13 -1.26 -3.18 115.26 116.70 3kxf n ASN 183 Ca 0.03 -0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.12 3kxf n ASN 183 Cb 0.43 -0.33 0.03 0.00 -1.54 0.00 0.00 39.78 38.37 3kxf n ASN 183 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3kxf n ASP 184 N -1.33 3.62 -4.75 6.41 3.85 -1.26 -5.09 116.55 118.00 3kxf n ASP 184 Ca 0.12 -3.14 -0.37 0.00 -0.71 0.00 0.00 54.79 50.70 3kxf n ASP 184 Cb 0.25 -0.41 0.04 0.00 -1.35 0.00 0.00 41.12 39.65 3kxf n ASP 184 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3kxf s SER 185 N -3.63 5.24 0.43 -1.12 0.15 -1.19 -5.01 113.70 108.57 3kxf s SER 185 Ca 0.42 2.54 -0.23 0.00 0.70 0.00 0.00 55.95 59.37 3kxf s SER 185 Cb 0.38 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 62.00 3kxf s SER 185 CO -0.01 -1.57 1.08 -0.13 1.20 0.00 0.00 173.24 173.81 3kxf s ARG 186 N -3.12 3.98 0.28 5.44 0.52 -1.26 -4.84 118.95 119.95 3kxf s ARG 186 Ca 0.75 1.57 0.07 0.00 -0.52 0.00 0.00 55.73 57.59 3kxf s ARG 186 Cb -0.35 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 3kxf s ARG 186 CO 0.39 -0.31 0.27 0.71 0.02 0.00 0.00 175.30 176.38 3kxf s TYR 187 N -1.67 3.10 -0.01 -0.53 2.02 0.37 -2.16 117.35 118.46 3kxf s TYR 187 Ca 0.61 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.17 3kxf s TYR 187 Cb -0.23 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 3kxf s TYR 187 CO 0.28 0.38 -0.05 0.00 -1.57 0.00 0.00 175.55 174.59 3kxf s ALA 188 N -2.16 0.52 -0.02 3.71 0.00 0.05 -2.38 121.76 121.46 3kxf s ALA 188 Ca 0.36 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.15 3kxf s ALA 188 Cb -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3kxf s ALA 188 CO 0.26 0.08 -0.03 -1.17 0.00 0.00 0.00 175.76 174.91 3kxf s LEU 189 N 0.15 1.55 0.25 0.00 2.96 -0.12 -0.00 118.68 123.47 3kxf s LEU 189 Ca -0.01 -0.08 0.11 0.00 -0.22 0.00 0.00 54.13 53.93 3kxf s LEU 189 Cb -0.06 -0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.30 3kxf s LEU 189 CO -0.00 -0.02 -0.16 -0.94 -1.32 0.00 0.00 176.35 173.91 3kxf s SER 190 N 0.53 3.82 0.04 3.68 1.04 -1.26 -1.15 113.70 120.40 3kxf s SER 190 Ca -0.06 -0.87 -0.10 0.00 0.48 0.00 0.00 55.95 55.40 3kxf s SER 190 Cb -0.09 -0.44 0.01 0.00 0.10 0.00 0.00 66.02 65.59 3kxf s SER 190 CO -0.01 0.06 0.21 -0.55 0.98 0.00 0.00 173.24 173.93 3kxf s SER 191 N -3.30 0.01 -0.01 7.02 0.15 -0.06 -2.59 113.70 114.92 3kxf s SER 191 Ca 0.28 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.63 3kxf s SER 191 Cb -0.06 0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 3kxf s SER 191 CO 0.15 -0.56 -0.10 -0.13 1.20 0.00 0.00 173.24 173.80 3kxf s ARG 192 N -2.50 0.86 -0.14 5.44 3.00 -0.27 0.29 118.95 125.63 3kxf s ARG 192 Ca -0.06 -0.37 0.01 0.00 0.00 0.00 0.00 55.73 55.32 3kxf s ARG 192 Cb -0.01 -0.83 0.02 0.00 0.00 0.00 0.00 34.95 34.13 3kxf s ARG 192 CO -0.03 0.21 -0.15 -1.17 0.00 0.00 0.00 175.30 174.16 3kxf s LEU 193 N -0.21 1.70 -0.24 2.53 2.96 0.43 -1.33 118.68 124.51 3kxf s LEU 193 Ca 0.03 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3kxf s LEU 193 Cb -0.04 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.49 3kxf s LEU 193 CO -0.00 -0.03 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.38 3kxf s ARG 194 N 1.33 3.21 0.57 1.98 3.52 -0.43 0.83 118.95 129.95 3kxf s ARG 194 Ca 0.01 -0.74 0.07 0.00 -0.13 0.00 0.00 55.73 54.94 3kxf s ARG 194 Cb -0.13 -3.09 0.07 0.00 -1.56 0.00 0.00 34.95 30.23 3kxf s ARG 194 CO -0.08 -0.29 0.57 0.14 -0.81 0.00 0.00 175.30 174.83 3kxf s VAL 195 N 1.46 1.74 0.66 7.11 -7.23 0.69 -4.74 120.40 120.08 3kxf s VAL 195 Ca 0.04 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 3kxf s VAL 195 Cb -0.15 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 3kxf s VAL 195 CO -0.02 0.00 1.06 -0.94 -0.31 0.00 0.00 175.10 174.89 3kxf s SER 196 N -4.46 5.90 0.14 4.85 1.04 -1.26 -1.42 113.70 118.49 3kxf s SER 196 Ca 0.44 1.30 -0.15 0.00 0.48 0.00 0.00 55.95 58.02 3kxf s SER 196 Cb -0.03 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.85 3kxf s SER 196 CO 0.28 -1.07 1.65 0.00 0.98 0.00 0.00 173.24 175.08 3kxf h ALA 197 N -0.46 0.57 -0.46 5.32 0.00 -1.78 -2.42 119.26 120.03 3kxf h ALA 197 Ca -0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 3kxf h ALA 197 Cb 1.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3kxf h ALA 197 CO 0.63 0.24 0.25 1.79 0.00 0.00 0.00 179.25 182.16 3kxf h THR 198 N 0.57 1.16 0.48 0.00 1.35 -1.95 -1.62 112.91 112.91 3kxf h THR 198 Ca 0.14 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 3kxf h THR 198 Cb 0.29 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 3kxf h THR 198 CO -0.00 0.17 -0.44 0.15 -0.25 0.00 0.00 175.52 175.16 3kxf h PHE 199 N 0.60 -1.19 -0.58 4.73 3.04 -1.95 -2.66 116.94 118.94 3kxf h PHE 199 Ca 0.16 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.22 3kxf h PHE 199 Cb 0.06 0.46 -0.03 0.00 2.56 0.00 0.00 35.95 38.99 3kxf h PHE 199 CO -0.02 -0.60 0.39 2.35 -2.02 0.00 0.00 178.31 178.41 3kxf h TRP 200 N -0.92 0.37 0.00 0.41 2.91 -1.33 -1.31 115.95 116.08 3kxf h TRP 200 Ca -0.05 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.98 3kxf h TRP 200 Cb 0.80 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 3kxf h TRP 200 CO -0.21 0.17 0.00 1.96 -1.03 0.00 0.00 178.44 179.33 3kxf h GLN 201 N 0.34 0.00 -6.60 2.65 4.20 -0.95 -0.53 115.11 114.22 3kxf h GLN 201 Ca 0.27 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.42 3kxf h GLN 201 Cb 0.60 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 3kxf h GLN 201 CO -0.07 0.00 1.02 1.21 -0.67 0.00 0.00 178.83 180.32 3kxf s ASN 202 N -4.84 6.43 0.00 1.46 2.47 -0.49 -3.14 114.94 116.83 3kxf s ASN 202 Ca 0.06 0.65 0.18 0.00 0.42 0.00 0.00 52.86 54.17 3kxf s ASN 202 Cb 0.10 -2.54 0.84 0.00 -1.45 0.00 0.00 41.25 38.19 3kxf s ASN 202 CO 0.51 -1.39 1.57 -0.81 -3.72 0.00 0.00 177.10 173.27 3kxf n PRO 203 N 8.04 0.11 0.10 0.43 -0.04 -1.26 -1.60 135.00 140.77 3kxf n PRO 203 Ca 0.15 0.16 -0.01 0.00 -0.04 0.00 0.00 63.50 63.75 3kxf n PRO 203 Cb 0.48 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.69 3kxf n PRO 203 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kxf h ARG 204 N 0.00 0.23 -6.41 0.54 2.47 -1.91 -3.37 114.38 105.93 3kxf h ARG 204 Ca 0.00 -0.10 -0.54 0.00 -1.26 0.00 0.00 59.98 58.08 3kxf h ARG 204 Cb 0.26 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3kxf h ARG 204 CO 0.00 0.59 0.75 -0.80 0.56 0.00 0.00 179.97 181.06 3kxf s ASN 205 N -6.88 6.92 -0.23 7.04 0.01 -0.63 -4.92 114.94 116.26 3kxf s ASN 205 Ca -0.05 2.09 -0.04 0.00 -0.71 0.00 0.00 52.86 54.16 3kxf s ASN 205 Cb 0.14 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 3kxf s ASN 205 CO 0.77 -0.64 -0.04 -2.28 -1.51 0.00 0.00 177.10 173.40 3kxf s HIS 206 N 1.91 2.97 -0.11 2.20 5.65 -1.26 -0.99 115.29 125.66 3kxf s HIS 206 Ca 0.62 -0.96 0.00 0.00 0.25 0.00 0.00 55.06 54.97 3kxf s HIS 206 Cb -0.31 -2.11 -0.02 0.00 -1.18 0.00 0.00 32.58 28.96 3kxf s HIS 206 CO 0.27 -0.55 -0.11 -0.06 -0.65 0.00 0.00 174.74 173.64 3kxf s PHE 207 N 1.48 2.84 -0.08 3.88 0.40 -0.14 -0.90 117.98 125.47 3kxf s PHE 207 Ca 0.05 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 3kxf s PHE 207 Cb -0.14 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.63 3kxf s PHE 207 CO -0.03 -0.02 0.18 0.50 0.70 0.00 0.00 175.22 176.55 3kxf s ARG 208 N -0.03 0.12 -0.26 0.44 3.52 -0.65 -0.50 118.95 121.60 3kxf s ARG 208 Ca -0.02 0.45 -0.10 0.00 -0.13 0.00 0.00 55.73 55.92 3kxf s ARG 208 Cb -0.14 -0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 33.04 3kxf s ARG 208 CO 0.04 -0.18 0.16 0.00 -0.81 0.00 0.00 175.30 174.50 3kxf s GLN 210 N 1.49 3.31 -0.21 0.00 0.74 0.10 -1.52 119.66 123.58 3kxf s GLN 210 Ca 0.07 -0.71 -0.01 0.00 0.05 0.00 0.00 55.36 54.76 3kxf s GLN 210 Cb -0.15 -2.67 0.01 0.00 1.10 0.00 0.00 33.01 31.30 3kxf s GLN 210 CO 0.08 0.08 -0.11 0.08 -0.55 0.00 0.00 175.29 174.86 3kxf s VAL 211 N 0.69 2.71 -0.24 1.34 1.01 -0.78 -1.27 120.40 123.86 3kxf s VAL 211 Ca -0.06 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 3kxf s VAL 211 Cb -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3kxf s VAL 211 CO 0.02 0.43 0.66 -1.58 0.00 0.00 0.00 175.10 174.62 3kxf s GLN 212 N 1.37 4.15 -0.11 2.72 2.00 -0.00 -1.18 119.66 128.60 3kxf s GLN 212 Ca 0.04 0.62 0.00 0.00 -2.00 0.00 0.00 55.36 54.02 3kxf s GLN 212 Cb -0.14 -3.63 -0.02 0.00 0.80 0.00 0.00 33.01 30.02 3kxf s GLN 212 CO -0.08 -0.38 -0.11 0.12 -0.50 0.00 0.00 175.29 174.34 3kxf s PHE 213 N 2.40 2.84 -0.21 1.67 5.36 0.46 -1.57 117.98 128.93 3kxf s PHE 213 Ca 0.28 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.82 3kxf s PHE 213 Cb -0.16 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.71 3kxf s PHE 213 CO 0.09 -0.02 -0.02 0.71 -1.46 0.00 0.00 175.22 174.51 3kxf s TYR 214 N -0.04 2.99 0.00 10.12 1.51 -0.66 -2.07 117.35 129.20 3kxf s TYR 214 Ca -0.02 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3kxf s TYR 214 Cb -0.14 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 3kxf s TYR 214 CO 0.04 -0.39 0.00 0.41 -1.11 0.00 0.00 175.55 174.50 3kxf n GLY 215 N 4.51 2.71 3.87 0.71 0.00 -1.26 -4.66 105.19 111.07 3kxf n GLY 215 Ca -0.18 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 3kxf n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxf s LEU 216 N 0.00 4.17 0.00 0.99 1.02 -0.95 -4.57 118.68 119.33 3kxf s LEU 216 Ca 0.00 0.97 0.00 0.00 0.02 0.00 0.00 54.13 55.12 3kxf s LEU 216 Cb 0.00 -3.70 0.00 0.00 0.02 0.00 0.00 46.19 42.51 3kxf s LEU 216 CO 0.00 -0.08 0.00 -1.54 0.02 0.00 0.00 176.35 174.75 3kxf n SER 217 N -0.10 0.50 -1.72 2.29 3.41 -1.26 -1.99 113.62 114.74 3kxf n SER 217 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kxf n SER 217 Cb 0.52 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.76 3kxf n SER 217 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kxf n GLU 218 N 0.00 3.68 -0.96 4.33 4.71 -1.26 -3.65 120.64 127.50 3kxf n GLU 218 Ca 0.00 -2.54 -0.10 0.00 -0.01 0.00 0.00 57.16 54.51 3kxf n GLU 218 Cb 0.00 -2.09 0.22 0.00 -1.01 0.00 0.00 31.44 28.56 3kxf n GLU 218 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kxf n ASN 219 N 0.19 3.44 -3.97 1.62 4.13 -1.26 -5.01 115.26 114.41 3kxf n ASN 219 Ca 0.29 -3.56 -0.11 0.00 1.68 0.00 0.00 54.58 52.88 3kxf n ASN 219 Cb 1.13 -0.72 -0.12 0.00 -1.54 0.00 0.00 39.78 38.53 3kxf n ASN 219 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3kxf s ASP 220 N -1.81 0.30 0.27 6.41 -0.00 -1.24 -5.16 116.67 115.44 3kxf s ASP 220 Ca 0.50 -0.38 0.11 0.00 -0.00 0.00 0.00 52.55 52.78 3kxf s ASP 220 Cb 0.43 0.06 -0.05 0.00 -0.00 0.00 0.00 42.92 43.37 3kxf s ASP 220 CO 0.07 -0.20 -0.10 -1.61 -0.00 0.00 0.00 175.17 173.33 3kxf s GLU 221 N -1.10 2.00 -0.26 8.23 2.02 -1.26 -4.99 118.70 123.34 3kxf s GLU 221 Ca -0.11 -1.59 -0.02 0.00 0.02 0.00 0.00 54.97 53.28 3kxf s GLU 221 Cb -0.07 -1.97 0.15 0.00 0.10 0.00 0.00 34.13 32.33 3kxf s GLU 221 CO -0.01 0.35 0.43 -0.46 0.02 0.00 0.00 175.26 175.59 3kxf s TRP 222 N -2.41 -1.03 -0.54 1.61 -0.11 -1.26 -5.04 118.94 110.15 3kxf s TRP 222 Ca 0.31 0.98 0.05 0.00 1.22 0.00 0.00 56.10 58.65 3kxf s TRP 222 Cb -0.06 0.13 0.37 0.00 -1.50 0.00 0.00 33.47 32.41 3kxf s TRP 222 CO 0.18 -0.79 1.06 0.25 -4.62 0.00 0.00 176.95 173.03 3kxf n THR 223 N 5.38 2.87 -4.43 5.86 -2.24 -1.26 -4.97 114.28 115.49 3kxf n THR 223 Ca -0.02 -5.30 -0.22 0.00 -2.27 0.00 0.00 64.05 56.24 3kxf n THR 223 Cb 0.50 -1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 67.29 3kxf n THR 223 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3kxf s GLN 224 N -3.54 1.55 0.25 -0.78 -1.52 -1.26 -5.07 119.66 109.29 3kxf s GLN 224 Ca 0.48 -1.73 0.01 0.00 -1.95 0.00 0.00 55.36 52.17 3kxf s GLN 224 Cb 0.33 -1.41 0.30 0.00 -0.22 0.00 0.00 33.01 32.02 3kxf s GLN 224 CO -0.17 0.20 1.65 -0.44 -0.25 0.00 0.00 175.29 176.28 3kxf h ASP 225 N 2.35 0.52 -4.27 5.90 3.32 -2.06 -3.43 116.42 118.74 3kxf h ASP 225 Ca -0.40 -0.21 -0.50 0.00 0.02 0.00 0.00 57.03 55.94 3kxf h ASP 225 Cb 1.24 -0.14 0.12 0.00 0.22 0.00 0.00 39.33 40.77 3kxf h ASP 225 CO 0.63 0.83 0.32 0.00 -1.72 0.00 0.00 179.24 179.31 3kxf s ARG 226 N -4.31 2.23 0.53 3.56 1.70 -1.26 -5.03 118.95 116.37 3kxf s ARG 226 Ca -0.07 0.95 -0.18 0.00 -0.47 0.00 0.00 55.73 55.96 3kxf s ARG 226 Cb 0.13 -1.91 -0.06 0.00 -0.57 0.00 0.00 34.95 32.54 3kxf s ARG 226 CO 0.81 -1.60 1.04 0.00 -1.08 0.00 0.00 175.30 174.47 3kxf s ALA 227 N -2.99 2.84 0.02 7.88 0.00 -1.26 -4.97 121.76 123.28 3kxf s ALA 227 Ca 0.61 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 3kxf s ALA 227 Cb -0.16 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3kxf s ALA 227 CO 0.56 -0.51 1.99 1.17 0.00 0.00 0.00 175.76 178.97 3kxf n LYS 228 N -1.48 2.82 -1.64 0.00 4.81 -1.26 -4.88 118.16 116.53 3kxf n LYS 228 Ca 0.09 1.02 -0.41 0.00 -0.87 0.00 0.00 58.31 58.15 3kxf n LYS 228 Cb 0.53 -3.02 -0.01 0.00 0.02 0.00 0.00 35.03 32.54 3kxf n LYS 228 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3kxf n PRO 229 N 7.60 3.49 -1.34 1.64 -0.05 -1.26 -4.94 135.00 140.15 3kxf n PRO 229 Ca 0.21 -2.62 -0.30 0.00 -0.05 0.00 0.00 63.50 60.74 3kxf n PRO 229 Cb 0.41 -2.97 0.22 0.00 -0.05 0.00 0.00 33.50 31.11 3kxf n PRO 229 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 3kxf s VAL 230 N 1.98 1.74 0.13 0.52 -7.23 -1.26 -2.24 120.40 114.05 3kxf s VAL 230 Ca 0.57 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.43 3kxf s VAL 230 Cb 0.16 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 3kxf s VAL 230 CO -0.07 0.00 1.52 -0.89 -0.31 0.00 0.00 175.10 175.36 3kxf s THR 231 N -3.26 2.92 0.19 5.32 2.01 -0.84 -4.42 115.64 117.56 3kxf s THR 231 Ca 0.71 0.61 -0.22 0.00 0.31 0.00 0.00 61.69 63.10 3kxf s THR 231 Cb -0.09 -3.39 0.06 0.00 0.01 0.00 0.00 72.50 69.09 3kxf s THR 231 CO 0.55 0.04 0.63 0.00 -0.69 0.00 0.00 174.62 175.15 3kxf s GLN 232 N 1.41 1.40 -0.25 4.92 -2.07 -0.88 -4.99 119.66 119.20 3kxf s GLN 232 Ca 0.69 -0.60 -0.05 0.00 -1.82 0.00 0.00 55.36 53.58 3kxf s GLN 232 Cb -0.41 0.59 -0.00 0.00 -1.09 0.00 0.00 33.01 32.11 3kxf s GLN 232 CO 0.31 -0.62 0.01 0.42 -1.32 0.00 0.00 175.29 174.09 3kxf s ILE 233 N -3.79 3.65 -0.24 3.63 1.01 -1.26 -0.40 121.20 123.80 3kxf s ILE 233 Ca 0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 3kxf s ILE 233 Cb -0.02 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 3kxf s ILE 233 CO -0.08 0.26 0.05 -0.69 0.00 0.00 0.00 174.94 174.48 3kxf s VAL 234 N 1.48 4.16 0.08 2.92 1.01 -0.33 -4.95 120.40 124.78 3kxf s VAL 234 Ca 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.86 3kxf s VAL 234 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3kxf s VAL 234 CO -0.00 0.36 -0.12 -0.44 0.00 0.00 0.00 175.10 174.89 3kxf s SER 235 N 1.53 4.25 0.08 3.32 0.01 -1.26 -1.86 113.70 119.77 3kxf s SER 235 Ca 0.06 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 57.00 3kxf s SER 235 Cb -0.15 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 3kxf s SER 235 CO 0.02 0.20 -0.18 0.00 0.41 0.00 0.00 173.24 173.69 3kxf s ALA 236 N -1.13 1.57 0.15 1.44 0.00 -0.58 -4.86 121.76 118.35 3kxf s ALA 236 Ca 0.19 -1.12 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 3kxf s ALA 236 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3kxf s ALA 236 CO 0.11 0.30 0.23 -1.83 0.00 0.00 0.00 175.76 174.57 3kxf s GLU 237 N -1.72 1.07 -0.04 0.00 -1.05 -1.26 -0.19 118.70 115.50 3kxf s GLU 237 Ca 0.04 -1.17 -0.23 0.00 -0.15 0.00 0.00 54.97 53.46 3kxf s GLU 237 Cb -0.10 0.35 0.05 0.00 -0.44 0.00 0.00 34.13 33.99 3kxf s GLU 237 CO 0.03 -0.37 0.50 0.00 0.95 0.00 0.00 175.26 176.37 3kxf s ALA 238 N -3.96 -1.28 0.26 -0.84 0.00 0.35 -4.85 121.76 111.44 3kxf s ALA 238 Ca 0.16 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 3kxf s ALA 238 Cb 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3kxf s ALA 238 CO -0.02 -0.31 0.46 -1.58 0.00 0.00 0.00 175.76 174.31 3kxf s TRP 239 N -1.17 3.48 0.95 0.00 0.51 -1.26 -0.96 118.94 120.49 3kxf s TRP 239 Ca -0.12 0.36 -0.11 0.00 -2.12 0.00 0.00 56.10 54.12 3kxf s TRP 239 Cb -0.03 -1.88 0.14 0.00 -0.81 0.00 0.00 33.47 30.89 3kxf s TRP 239 CO 0.07 0.28 0.98 0.41 -0.51 0.00 0.00 176.95 178.18 3kxf n GLY 240 N -1.06 -0.87 3.45 0.98 0.00 -0.16 -4.96 105.19 102.57 3kxf n GLY 240 Ca -0.05 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 3kxf n GLY 240 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kxf s ARG 241 N -4.41 0.63 -0.99 1.61 3.52 -0.21 -4.11 118.95 114.99 3kxf s ARG 241 Ca 0.65 0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 57.02 3kxf s ARG 241 Cb -0.23 0.28 0.15 0.00 -1.56 0.00 0.00 34.95 33.59 3kxf s ARG 241 CO 0.61 -0.09 2.38 0.00 -0.81 0.00 0.00 175.30 177.39 3kxf n ALA 242 N 3.00 6.57 -0.18 6.12 0.00 -1.19 -3.53 120.51 131.31 3kxf n ALA 242 Ca -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.43 3kxf n ALA 242 Cb 0.56 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3kxf n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25