#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 3.82 0.29 1.61 0.11 -1.04 -3.08 120.40 122.11 3kxf s VAL 4 Ca 0.00 -0.37 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 3kxf s VAL 4 Cb 0.00 -2.78 -0.08 0.00 -1.53 0.00 0.00 36.38 31.99 3kxf s VAL 4 CO 0.00 0.36 0.65 0.42 -3.33 0.00 0.00 175.10 173.20 3kxf s THR 5 N 1.54 4.82 -0.03 5.04 -4.23 -0.20 -3.76 115.64 118.83 3kxf s THR 5 Ca 0.06 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 3kxf s THR 5 Cb -0.15 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.07 3kxf s THR 5 CO 0.00 -0.19 -0.02 -1.58 -0.54 0.00 0.00 174.62 172.29 3kxf s GLN 6 N -3.07 0.49 -0.03 3.99 0.74 -1.26 -2.11 119.66 118.42 3kxf s GLN 6 Ca 0.50 -0.04 -0.06 0.00 0.05 0.00 0.00 55.36 55.81 3kxf s GLN 6 Cb -0.11 -0.57 0.01 0.00 1.10 0.00 0.00 33.01 33.45 3kxf s GLN 6 CO 0.22 -0.06 0.14 0.95 -0.55 0.00 0.00 175.29 175.98 3kxf s THR 7 N 0.72 0.05 1.06 -0.34 -4.23 -0.88 -4.65 115.64 107.37 3kxf s THR 7 Ca -0.08 -0.38 -0.18 0.00 -1.18 0.00 0.00 61.69 59.88 3kxf s THR 7 Cb -0.11 -0.33 0.24 0.00 1.34 0.00 0.00 72.50 73.64 3kxf s THR 7 CO -0.01 -0.21 1.28 -2.84 -0.54 0.00 0.00 174.62 172.30 3kxf s PRO 8 N -0.70 -0.14 -0.12 3.99 0.02 -1.26 -0.10 135.00 136.68 3kxf s PRO 8 Ca -0.08 -0.39 -0.05 0.00 0.02 0.00 0.00 61.00 60.50 3kxf s PRO 8 Cb -0.05 -1.75 -0.26 0.00 0.02 0.00 0.00 34.50 32.46 3kxf s PRO 8 CO 0.01 -2.94 0.36 1.17 -0.33 0.00 0.00 177.00 175.27 3kxf n LYS 9 N -4.14 0.75 -4.02 5.54 4.81 -1.26 -4.46 118.16 115.37 3kxf n LYS 9 Ca 0.16 0.26 -0.09 0.00 -0.87 0.00 0.00 58.31 57.76 3kxf n LYS 9 Cb 0.59 -1.71 -0.11 0.00 0.02 0.00 0.00 35.03 33.83 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 -2.56 0.40 0.02 5.64 0.08 -1.26 -1.86 117.98 118.43 3kxf s PHE 10 Ca -0.22 -0.63 -0.11 0.00 0.12 0.00 0.00 56.93 56.09 3kxf s PHE 10 Cb 0.07 -0.27 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 3kxf s PHE 10 CO 0.77 -0.20 0.23 -1.14 -0.10 0.00 0.00 175.22 174.78 3kxf s GLN 11 N -2.00 0.65 -0.07 0.44 2.00 -0.77 -4.96 119.66 114.96 3kxf s GLN 11 Ca -0.10 -0.43 0.03 0.00 -2.00 0.00 0.00 55.36 52.86 3kxf s GLN 11 Cb -0.06 0.28 0.01 0.00 0.80 0.00 0.00 33.01 34.04 3kxf s GLN 11 CO -0.02 -0.18 -0.14 0.08 -0.50 0.00 0.00 175.29 174.53 3kxf s VAL 12 N -1.92 1.24 -0.01 1.34 1.01 -1.26 -3.48 120.40 117.32 3kxf s VAL 12 Ca -0.10 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3kxf s VAL 12 Cb -0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 3kxf s VAL 12 CO -0.00 0.38 -0.08 -0.76 0.00 0.00 0.00 175.10 174.63 3kxf s LEU 13 N 0.56 1.97 0.01 3.92 1.43 -0.99 -5.04 118.68 120.54 3kxf s LEU 13 Ca -0.14 -0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 3kxf s LEU 13 Cb -0.15 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 3kxf s LEU 13 CO 0.04 0.09 0.54 -0.75 0.23 0.00 0.00 176.35 176.51 3kxf s LYS 14 N -0.12 4.22 0.03 1.70 2.20 -1.26 -0.85 119.74 125.66 3kxf s LYS 14 Ca 0.02 0.65 -0.38 0.00 -0.36 0.00 0.00 55.97 55.90 3kxf s LYS 14 Cb -0.04 -3.30 -0.17 0.00 -1.51 0.00 0.00 37.83 32.80 3kxf s LYS 14 CO -0.00 0.48 1.32 2.41 -0.36 0.00 0.00 175.35 179.20 3kxf n THR 15 N 2.39 0.02 -1.16 3.43 -1.04 -0.79 -2.40 114.28 114.73 3kxf n THR 15 Ca -0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3kxf n THR 15 Cb 0.51 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 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 2.48 0.81 3.43 3.41 0.00 0.45 -4.89 105.19 110.88 3kxf n GLY 16 Ca 0.20 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.54 1.63 0.31 1.61 -0.21 -1.01 -4.60 119.66 114.85 3kxf s GLN 17 Ca 0.00 -1.24 -0.22 0.00 0.02 0.00 0.00 55.36 53.92 3kxf s GLN 17 Cb 0.00 -2.01 -0.09 0.00 1.00 0.00 0.00 33.01 31.90 3kxf s GLN 17 CO 0.00 0.47 0.85 -1.12 -2.12 0.00 0.00 175.29 173.38 3kxf s SER 18 N -2.00 7.11 -0.27 5.90 0.01 -1.24 -1.72 113.70 121.48 3kxf s SER 18 Ca 0.16 1.61 -0.21 0.00 1.31 0.00 0.00 55.95 58.82 3kxf s SER 18 Cb -0.10 -2.50 0.07 0.00 0.21 0.00 0.00 66.02 63.70 3kxf s SER 18 CO 0.07 -0.11 0.71 -0.32 0.41 0.00 0.00 173.24 174.00 3kxf s MET 19 N -2.37 0.78 -0.14 12.44 1.75 -0.99 -5.00 119.30 125.77 3kxf s MET 19 Ca 0.51 1.09 0.01 0.00 -1.25 0.00 0.00 55.69 56.05 3kxf s MET 19 Cb -0.15 0.30 0.02 0.00 2.84 0.00 0.00 34.83 37.84 3kxf s MET 19 CO 0.20 -0.12 -0.17 -0.08 -0.65 0.00 0.00 175.02 174.20 3kxf s THR 20 N 0.90 1.72 0.43 10.11 -1.32 -1.26 -0.55 115.64 125.67 3kxf s THR 20 Ca -0.04 -0.75 -0.12 0.00 -1.21 0.00 0.00 61.69 59.57 3kxf s THR 20 Cb -0.05 -1.58 -0.07 0.00 -1.51 0.00 0.00 72.50 69.29 3kxf s THR 20 CO -0.08 0.48 0.83 -0.76 -2.21 0.00 0.00 174.62 172.89 3kxf s LEU 21 N 1.24 3.78 -0.03 9.08 1.43 0.35 -4.82 118.68 129.71 3kxf s LEU 21 Ca 0.01 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 3kxf s LEU 21 Cb -0.14 -4.17 -0.01 0.00 0.03 0.00 0.00 46.19 41.91 3kxf s LEU 21 CO -0.08 -0.45 -0.17 -1.10 0.23 0.00 0.00 176.35 174.78 3kxf s GLN 22 N -3.88 1.59 -0.03 1.70 -1.52 0.86 -2.21 119.66 116.17 3kxf s GLN 22 Ca 0.54 -0.60 0.04 0.00 -1.95 0.00 0.00 55.36 53.38 3kxf s GLN 22 Cb -0.10 -1.44 -0.01 0.00 -0.22 0.00 0.00 33.01 31.24 3kxf s GLN 22 CO 0.31 0.30 -0.15 0.00 -0.25 0.00 0.00 175.29 175.49 3kxf s ALA 24 N -0.14 0.53 -0.04 0.00 0.00 -0.90 -2.27 121.76 118.93 3kxf s ALA 24 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 3kxf s ALA 24 Cb -0.08 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3kxf s ALA 24 CO 0.01 0.12 0.07 -1.14 0.00 0.00 0.00 175.76 174.82 3kxf s GLN 25 N -0.20 -0.04 -0.23 0.00 -0.44 -0.88 -1.03 119.66 116.84 3kxf s GLN 25 Ca 0.02 0.37 0.15 0.00 -2.50 0.00 0.00 55.36 53.39 3kxf s GLN 25 Cb -0.03 -0.40 0.79 0.00 -1.64 0.00 0.00 33.01 31.74 3kxf s GLN 25 CO -0.00 -0.28 1.72 -0.40 0.50 0.00 0.00 175.29 176.82 3kxf n ASP 26 N 5.01 5.53 -0.76 6.67 5.75 -1.18 -4.45 116.55 133.11 3kxf n ASP 26 Ca -0.10 -2.92 0.07 0.00 -0.01 0.00 0.00 54.79 51.83 3kxf n ASP 26 Cb 0.50 -0.67 0.17 0.00 -1.03 0.00 0.00 41.12 40.09 3kxf n ASP 26 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3kxf n MET 27 N 0.54 2.46 -1.86 0.11 2.81 -1.26 -4.96 117.12 114.97 3kxf n MET 27 Ca 0.27 -2.03 -0.20 0.00 -1.81 0.00 0.00 57.70 53.94 3kxf n MET 27 Cb 1.16 -1.33 -0.06 0.00 -0.71 0.00 0.00 33.22 32.28 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 0.78 -5.53 -4.76 7.83 5.15 -1.26 -4.98 115.26 112.50 3kxf n ASN 28 Ca 0.13 0.32 -0.38 0.00 -0.60 0.00 0.00 54.58 54.06 3kxf n ASN 28 Cb 0.45 -4.71 0.01 0.00 -0.53 0.00 0.00 39.78 34.99 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 -2.83 2.70 0.04 1.20 3.76 -1.26 -4.98 115.29 113.92 3kxf s HIS 29 Ca 0.00 1.48 -0.14 0.00 -0.15 0.00 0.00 55.06 56.25 3kxf s HIS 29 Cb 0.00 -3.52 -0.33 0.00 1.11 0.00 0.00 32.58 29.84 3kxf s HIS 29 CO 0.00 -1.95 1.04 -0.91 -0.85 0.00 0.00 174.74 172.07 3kxf h ASN 30 N 1.90 0.82 -2.96 1.40 4.21 -1.93 -3.47 115.58 115.55 3kxf h ASN 30 Ca -0.50 -0.85 -0.63 0.00 1.21 0.00 0.00 56.30 55.53 3kxf h ASN 30 Cb 1.26 -0.27 -0.09 0.00 -1.12 0.00 0.00 38.32 38.11 3kxf h ASN 30 CO 0.59 1.66 -0.45 -0.44 -1.29 0.00 0.00 177.43 177.50 3kxf s SER 31 N -7.51 6.36 -0.01 5.81 0.01 -1.26 -3.64 113.70 113.46 3kxf s SER 31 Ca -0.09 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.60 3kxf s SER 31 Cb 0.05 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.19 3kxf s SER 31 CO 0.94 0.29 0.00 -0.04 0.41 0.00 0.00 173.24 174.84 3kxf s MET 32 N -0.39 0.13 0.07 12.44 -1.94 -0.69 -4.52 119.30 124.40 3kxf s MET 32 Ca 0.13 0.04 0.09 0.00 -1.71 0.00 0.00 55.69 54.24 3kxf s MET 32 Cb -0.12 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.44 3kxf s MET 32 CO 0.03 -0.06 -0.23 0.71 -0.01 0.00 0.00 175.02 175.45 3kxf s TYR 33 N 0.52 1.98 -0.18 -0.03 1.51 0.15 -0.29 117.35 121.01 3kxf s TYR 33 Ca -0.05 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 3kxf s TYR 33 Cb -0.07 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.63 3kxf s TYR 33 CO -0.01 0.17 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.95 3kxf s TRP 34 N -0.95 2.92 0.16 2.71 0.52 0.29 -0.42 118.94 124.18 3kxf s TRP 34 Ca 0.09 -0.78 0.11 0.00 0.02 0.00 0.00 56.10 55.53 3kxf s TRP 34 Cb -0.10 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.18 3kxf s TRP 34 CO 0.03 -0.39 -0.24 0.71 0.02 0.00 0.00 176.95 177.09 3kxf s TYR 35 N 0.99 2.18 -0.05 -1.98 1.51 0.02 0.01 117.35 120.03 3kxf s TYR 35 Ca -0.00 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 3kxf s TYR 35 Cb -0.15 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 3kxf s TYR 35 CO -0.00 0.39 -0.23 -0.98 -1.11 0.00 0.00 175.55 173.62 3kxf s ARG 36 N -2.40 2.27 -0.09 -0.62 1.70 0.36 -1.45 118.95 118.73 3kxf s ARG 36 Ca 0.16 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.59 3kxf s ARG 36 Cb -0.09 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.29 3kxf s ARG 36 CO 0.08 0.37 -0.04 -1.14 -1.08 0.00 0.00 175.30 173.48 3kxf s GLN 37 N -0.18 2.98 -0.00 3.89 0.74 0.36 -1.35 119.66 126.09 3kxf s GLN 37 Ca -0.02 -0.51 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 3kxf s GLN 37 Cb -0.12 -2.70 -0.00 0.00 1.10 0.00 0.00 33.01 31.28 3kxf s GLN 37 CO 0.03 0.60 0.10 -0.51 -0.55 0.00 0.00 175.29 174.95 3kxf s ASP 38 N -0.62 0.04 -0.12 6.67 1.01 -1.21 -2.67 116.67 119.78 3kxf s ASP 38 Ca 0.09 -0.17 -0.41 0.00 0.71 0.00 0.00 52.55 52.77 3kxf s ASP 38 Cb -0.12 0.19 -0.19 0.00 1.01 0.00 0.00 42.92 43.81 3kxf s ASP 38 CO 0.02 -0.28 1.27 -2.65 0.21 0.00 0.00 175.17 173.73 3kxf n PRO 39 N 1.82 0.24 -0.03 8.23 -0.02 -1.26 -0.09 135.00 143.89 3kxf n PRO 39 Ca -0.21 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3kxf n PRO 39 Cb 0.56 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 2.37 0.00 0.15 -1.23 0.00 -1.26 -4.67 105.19 100.55 3kxf n GLY 40 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3kxf n GLY 40 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3kxf h MET 41 N 0.00 0.00 0.00 1.61 -1.53 -0.92 -3.49 114.93 110.60 3kxf h MET 41 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3kxf h MET 41 Cb 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.05 3kxf h MET 41 CO 0.00 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.46 3kxf n GLY 42 N 1.12 -0.09 2.93 1.39 0.00 -1.20 -4.70 105.19 104.62 3kxf n GLY 42 Ca 0.05 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 3.40 -0.14 0.99 1.43 -1.26 -3.31 118.68 119.79 3kxf s LEU 43 Ca 0.00 -1.69 -0.07 0.00 -1.03 0.00 0.00 54.13 51.34 3kxf s LEU 43 Cb 0.00 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 3kxf s LEU 43 CO 0.00 -0.33 0.12 -0.13 0.23 0.00 0.00 176.35 176.24 3kxf s ARG 44 N 1.24 3.58 0.07 1.70 0.52 -0.46 -4.87 118.95 120.74 3kxf s ARG 44 Ca 0.04 -0.18 -0.31 0.00 -0.52 0.00 0.00 55.73 54.77 3kxf s ARG 44 Cb -0.19 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 3kxf s ARG 44 CO -0.12 0.65 1.19 -1.17 0.02 0.00 0.00 175.30 175.88 3kxf s LEU 45 N -0.68 4.38 -0.22 2.53 2.96 -1.26 -0.49 118.68 125.91 3kxf s LEU 45 Ca 0.13 2.02 -0.16 0.00 -0.22 0.00 0.00 54.13 55.90 3kxf s LEU 45 Cb -0.12 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 3kxf s LEU 45 CO 0.02 -0.45 -0.19 -0.38 -1.32 0.00 0.00 176.35 174.03 3kxf n ILE 46 N 3.79 1.50 -3.63 6.68 5.41 0.10 -1.28 119.36 131.94 3kxf n ILE 46 Ca 0.08 -0.07 -0.16 0.00 1.00 0.00 0.00 62.75 63.60 3kxf n ILE 46 Cb 0.46 -2.12 -0.07 0.00 -0.71 0.00 0.00 39.64 37.20 3kxf n ILE 46 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3kxf s TYR 47 N -2.53 -0.46 0.15 1.39 1.51 -1.23 -1.29 117.35 114.89 3kxf s TYR 47 Ca -0.30 0.81 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 3kxf s TYR 47 Cb 0.08 0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 42.16 3kxf s TYR 47 CO 0.45 -0.50 0.03 1.52 -1.11 0.00 0.00 175.55 175.94 3kxf s TYR 48 N -1.14 1.02 -0.09 2.71 -0.85 -0.68 -0.55 117.35 117.77 3kxf s TYR 48 Ca -0.11 -1.13 0.01 0.00 -0.52 0.00 0.00 57.07 55.31 3kxf s TYR 48 Cb -0.02 -0.58 0.02 0.00 0.38 0.00 0.00 41.96 41.76 3kxf s TYR 48 CO 0.07 -0.37 -0.09 0.45 -1.52 0.00 0.00 175.55 174.09 3kxf s SER 49 N -3.10 1.98 0.04 -0.18 0.15 0.61 -1.49 113.70 111.71 3kxf s SER 49 Ca 0.24 -0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.65 3kxf s SER 49 Cb 0.07 -0.82 -0.24 0.00 -1.71 0.00 0.00 66.02 63.33 3kxf s SER 49 CO 0.02 -0.06 1.00 0.00 1.20 0.00 0.00 173.24 175.40 3kxf h ALA 50 N 7.72 0.43 -2.58 5.45 0.00 -1.79 -1.85 119.26 126.65 3kxf h ALA 50 Ca -0.31 -1.11 0.06 0.00 0.00 0.00 0.00 54.91 53.56 3kxf h ALA 50 Cb 1.15 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 3kxf h ALA 50 CO 0.43 1.30 0.38 -1.54 0.00 0.00 0.00 179.25 179.82 3kxf s SER 51 N -6.63 -0.43 -0.06 0.00 1.04 -1.24 -4.03 113.70 102.35 3kxf s SER 51 Ca -0.03 -0.04 -0.40 0.00 0.48 0.00 0.00 55.95 55.96 3kxf s SER 51 Cb 0.09 0.48 -0.18 0.00 0.10 0.00 0.00 66.02 66.50 3kxf s SER 51 CO 0.83 -0.79 1.31 1.21 0.98 0.00 0.00 173.24 176.79 3kxf n GLU 52 N -0.31 0.55 -3.14 4.02 2.13 -1.26 -1.77 120.64 120.86 3kxf n GLU 52 Ca -0.12 0.20 -0.14 0.00 0.66 0.00 0.00 57.16 57.76 3kxf n GLU 52 Cb 0.63 -1.77 0.06 0.00 0.27 0.00 0.00 31.44 30.63 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 2.50 -0.15 3.32 8.31 0.00 -1.22 -5.05 105.19 112.90 3kxf n GLY 53 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.26 0.00 -0.02 2.61 2.01 -0.73 -5.09 115.64 111.17 3kxf s THR 54 Ca 0.14 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 3kxf s THR 54 Cb -0.06 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.84 3kxf s THR 54 CO 0.54 -0.01 0.09 0.42 -0.69 0.00 0.00 174.62 174.97 3kxf s THR 55 N 0.14 0.04 0.01 -0.82 -4.23 -1.26 -4.32 115.64 105.20 3kxf s THR 55 Ca -0.01 -0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 60.17 3kxf s THR 55 Cb -0.03 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.55 3kxf s THR 55 CO 0.01 -0.18 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.09 3kxf s ASP 56 N -0.58 0.14 0.44 3.99 1.01 -0.55 -5.02 116.67 116.09 3kxf s ASP 56 Ca -0.07 -0.29 -0.23 0.00 0.71 0.00 0.00 52.55 52.67 3kxf s ASP 56 Cb -0.04 0.08 -0.08 0.00 1.01 0.00 0.00 42.92 43.89 3kxf s ASP 56 CO 0.00 -0.19 1.11 -0.54 0.21 0.00 0.00 175.17 175.76 3kxf s LYS 57 N -0.91 3.93 0.00 8.23 1.02 -1.26 -1.69 119.74 129.06 3kxf s LYS 57 Ca -0.10 1.65 0.00 0.00 0.02 0.00 0.00 55.97 57.54 3kxf s LYS 57 Cb -0.06 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3kxf s LYS 57 CO -0.01 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 3kxf n GLY 58 N 0.37 2.42 0.10 -3.33 0.00 -0.41 -4.77 105.19 99.57 3kxf n GLY 58 Ca 0.06 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.27 3kxf n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kxf n GLU 59 N 0.00 0.16 -3.01 1.61 4.71 -0.40 -4.34 120.64 119.37 3kxf n GLU 59 Ca 0.00 0.33 -0.11 0.00 -0.01 0.00 0.00 57.16 57.36 3kxf n GLU 59 Cb 0.00 -1.77 -0.03 0.00 -1.01 0.00 0.00 31.44 28.63 3kxf n GLU 59 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3kxf s VAL 60 N -3.20 -0.57 -1.58 2.62 -7.23 -0.57 -4.98 120.40 104.88 3kxf s VAL 60 Ca 0.07 -1.43 0.25 0.00 -1.81 0.00 0.00 61.98 59.06 3kxf s VAL 60 Cb 0.11 -0.41 0.15 0.00 0.56 0.00 0.00 36.38 36.78 3kxf s VAL 60 CO 0.42 -0.40 1.44 -0.81 -0.31 0.00 0.00 175.10 175.44 3kxf n PRO 61 N 3.08 0.66 -1.67 4.82 -0.04 -1.25 -4.47 135.00 136.13 3kxf n PRO 61 Ca 0.21 -0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 62.82 3kxf n PRO 61 Cb 0.53 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3kxf n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kxf n ASN 62 N -0.80 4.13 0.00 3.54 5.03 -1.26 -2.04 115.26 123.85 3kxf n ASN 62 Ca 0.10 0.93 0.00 0.00 0.87 0.00 0.00 54.58 56.48 3kxf n ASN 62 Cb 0.36 -1.53 0.00 0.00 -1.02 0.00 0.00 39.78 37.59 3kxf n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kxf n GLY 63 N 4.44 0.60 3.05 7.41 0.00 -1.26 -5.06 105.19 114.37 3kxf n GLY 63 Ca 0.19 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 0.78 0.07 1.61 1.51 -0.87 -3.97 117.35 114.48 3kxf s TYR 64 Ca 0.00 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3kxf s TYR 64 Cb 0.00 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.34 3kxf s TYR 64 CO 0.00 -0.02 -0.08 -0.80 -1.11 0.00 0.00 175.55 173.54 3kxf s ASN 65 N -0.81 1.05 0.00 2.29 -0.87 -0.90 -4.98 114.94 110.72 3kxf s ASN 65 Ca -0.01 -0.75 0.02 0.00 -1.57 0.00 0.00 52.86 50.55 3kxf s ASN 65 Cb -0.06 0.05 -0.01 0.00 -0.02 0.00 0.00 41.25 41.21 3kxf s ASN 65 CO 0.00 -0.30 -0.06 0.68 -2.57 0.00 0.00 177.10 174.86 3kxf s VAL 66 N -2.30 0.43 -0.25 1.60 -7.23 -1.26 0.42 120.40 111.82 3kxf s VAL 66 Ca -0.00 -0.31 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 3kxf s VAL 66 Cb -0.04 -0.38 0.05 0.00 0.56 0.00 0.00 36.38 36.57 3kxf s VAL 66 CO -0.01 0.07 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.29 3kxf s SER 67 N -0.27 4.24 -1.16 4.85 0.01 -0.76 -4.96 113.70 115.66 3kxf s SER 67 Ca 0.01 -1.21 -0.16 0.00 1.31 0.00 0.00 55.95 55.90 3kxf s SER 67 Cb -0.03 -1.56 0.14 0.00 0.21 0.00 0.00 66.02 64.78 3kxf s SER 67 CO -0.00 -0.16 1.44 -0.60 0.41 0.00 0.00 173.24 174.33 3kxf s ARG 68 N 1.17 3.95 0.05 12.44 6.06 -1.26 -0.75 118.95 140.61 3kxf s ARG 68 Ca -0.05 -2.22 -0.21 0.00 -2.50 0.00 0.00 55.73 50.74 3kxf s ARG 68 Cb -0.18 -5.15 -0.10 0.00 0.06 0.00 0.00 34.95 29.58 3kxf s ARG 68 CO -0.06 -1.89 1.33 -0.07 -2.50 0.00 0.00 175.30 172.11 3kxf h LEU 69 N 10.60 -0.88 0.00 -0.88 3.38 -1.90 -3.23 115.31 122.41 3kxf h LEU 69 Ca 0.31 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3kxf h LEU 69 Cb 0.91 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3kxf h LEU 69 CO 1.27 -0.37 0.00 -0.46 0.09 0.00 0.00 178.44 178.97 3kxf n ASN 70 N -4.22 0.54 -0.12 -0.43 0.23 -1.25 -4.62 115.26 105.38 3kxf n ASN 70 Ca -0.06 -0.86 -0.01 0.00 -0.53 0.00 0.00 54.58 53.12 3kxf n ASN 70 Cb 0.26 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.22 3kxf n ASN 70 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3kxf h LYS 71 N 0.00 0.81 -0.23 -3.83 1.57 -1.95 -3.15 116.57 109.79 3kxf h LYS 71 Ca 0.00 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.51 3kxf h LYS 71 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3kxf h LYS 71 CO 0.00 0.64 -0.50 0.00 -0.57 0.00 0.00 179.45 179.03 3kxf h ARG 72 N 0.80 0.73 -5.48 3.15 3.08 -1.93 -3.46 114.38 111.28 3kxf h ARG 72 Ca 0.20 -0.49 -0.66 0.00 0.07 0.00 0.00 59.98 59.10 3kxf h ARG 72 Cb 0.12 0.07 -0.26 0.00 0.08 0.00 0.00 29.97 29.98 3kxf h ARG 72 CO -0.02 1.11 -0.76 -1.21 -1.07 0.00 0.00 179.97 178.02 3kxf s GLU 73 N -4.04 3.26 -0.30 0.04 2.02 -1.19 -2.08 118.70 116.42 3kxf s GLU 73 Ca -0.12 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.18 3kxf s GLU 73 Cb 0.08 -2.61 0.10 0.00 0.10 0.00 0.00 34.13 31.80 3kxf s GLU 73 CO 0.86 0.29 0.11 0.12 0.02 0.00 0.00 175.26 176.66 3kxf s PHE 74 N 0.17 1.13 0.10 1.61 5.36 -0.96 -2.59 117.98 122.80 3kxf s PHE 74 Ca -0.07 -1.39 -0.13 0.00 -0.96 0.00 0.00 56.93 54.38 3kxf s PHE 74 Cb -0.15 -1.37 -0.06 0.00 -0.34 0.00 0.00 43.02 41.09 3kxf s PHE 74 CO 0.05 -0.86 0.48 -1.12 -1.46 0.00 0.00 175.22 172.31 3kxf s SER 75 N 1.79 6.77 -0.14 6.13 0.01 0.07 -3.36 113.70 124.97 3kxf s SER 75 Ca 0.10 0.97 -0.01 0.00 1.31 0.00 0.00 55.95 58.32 3kxf s SER 75 Cb -0.17 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 3kxf s SER 75 CO -0.29 0.16 -0.12 -0.22 0.41 0.00 0.00 173.24 173.18 3kxf s LEU 76 N -1.81 2.73 -0.04 2.44 2.96 -0.94 -1.82 118.68 122.21 3kxf s LEU 76 Ca 0.34 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3kxf s LEU 76 Cb -0.15 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3kxf s LEU 76 CO 0.18 0.14 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.67 3kxf s ARG 77 N 0.51 2.63 -0.46 1.98 3.52 0.17 -0.49 118.95 126.80 3kxf s ARG 77 Ca -0.08 -0.64 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 3kxf s ARG 77 Cb -0.16 -2.52 0.12 0.00 -1.56 0.00 0.00 34.95 30.83 3kxf s ARG 77 CO 0.04 0.64 0.27 -0.51 -0.81 0.00 0.00 175.30 174.93 3kxf s LEU 78 N -1.02 5.35 0.16 -0.88 1.02 0.29 -2.12 118.68 121.47 3kxf s LEU 78 Ca 0.14 -2.16 -0.20 0.00 0.02 0.00 0.00 54.13 51.94 3kxf s LEU 78 Cb -0.11 -1.87 0.06 0.00 0.02 0.00 0.00 46.19 44.29 3kxf s LEU 78 CO 0.03 -0.54 1.65 -0.33 0.02 0.00 0.00 176.35 177.19 3kxf h GLU 79 N 7.95 -0.11 -2.14 1.70 4.39 -1.85 -2.64 114.58 121.88 3kxf h GLU 79 Ca -0.12 0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.37 3kxf h GLU 79 Cb 1.04 0.02 -0.32 0.00 -0.10 0.00 0.00 28.75 29.39 3kxf h GLU 79 CO 0.73 -0.07 -0.54 0.45 -1.16 0.00 0.00 179.01 178.42 3kxf s SER 80 N -5.13 0.69 0.72 1.42 0.15 -1.26 -3.67 113.70 106.61 3kxf s SER 80 Ca -0.14 0.05 -0.13 0.00 0.70 0.00 0.00 55.95 56.42 3kxf s SER 80 Cb 0.13 0.83 0.03 0.00 -1.71 0.00 0.00 66.02 65.30 3kxf s SER 80 CO 0.69 -0.31 1.11 0.00 1.20 0.00 0.00 173.24 175.93 3kxf s ALA 81 N 2.46 2.33 -0.18 5.45 0.00 -0.70 -4.65 121.76 126.47 3kxf s ALA 81 Ca 0.10 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 3kxf s ALA 81 Cb -0.16 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.70 3kxf s ALA 81 CO -0.14 -1.55 0.49 0.00 0.00 0.00 0.00 175.76 174.56 3kxf s ALA 82 N -2.56 -1.22 0.49 0.00 0.00 -1.26 -0.41 121.76 116.80 3kxf s ALA 82 Ca 0.65 1.38 0.34 0.00 0.00 0.00 0.00 51.96 54.33 3kxf s ALA 82 Cb -0.20 -0.80 1.47 0.00 0.00 0.00 0.00 23.12 23.60 3kxf s ALA 82 CO 0.48 -0.23 1.71 -1.00 0.00 0.00 0.00 175.76 176.71 3kxf h PRO 83 N 5.33 0.10 0.00 0.00 0.13 -1.96 0.32 132.00 135.92 3kxf h PRO 83 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3kxf h PRO 83 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3kxf h PRO 83 CO 0.20 0.06 0.00 -1.13 -0.23 0.00 0.00 178.00 176.90 3kxf n SER 84 N -4.35 0.00 -1.01 1.44 3.41 -1.26 -1.02 113.62 110.83 3kxf n SER 84 Ca 0.32 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3kxf n SER 84 Cb 1.37 -0.37 0.19 0.00 -0.26 0.00 0.00 64.21 65.15 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 2.35 -1.76 4.33 6.02 0.11 -4.84 117.38 122.22 3kxf n GLN 85 Ca 0.02 -2.01 -0.38 0.00 -0.01 0.00 0.00 57.00 54.62 3kxf n GLN 85 Cb 0.05 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 3kxf n GLN 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3kxf s THR 86 N -1.74 3.16 0.38 5.09 2.01 -0.19 -4.82 115.64 119.53 3kxf s THR 86 Ca 0.34 0.11 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 3kxf s THR 86 Cb 0.21 -3.38 0.05 0.00 0.01 0.00 0.00 72.50 69.39 3kxf s THR 86 CO 0.31 -0.35 0.77 -0.55 -0.69 0.00 0.00 174.62 174.11 3kxf s SER 87 N 10.02 0.05 -0.23 3.53 0.15 -0.45 -4.98 113.70 121.79 3kxf s SER 87 Ca 0.86 -1.15 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 3kxf s SER 87 Cb -0.17 0.84 -0.02 0.00 -1.71 0.00 0.00 66.02 64.96 3kxf s SER 87 CO 0.25 -1.66 0.01 -0.69 1.20 0.00 0.00 173.24 172.35 3kxf s VAL 88 N -2.40 3.86 -0.24 4.45 1.01 -1.09 -1.78 120.40 124.21 3kxf s VAL 88 Ca 0.16 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 3kxf s VAL 88 Cb -0.05 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3kxf s VAL 88 CO 0.12 0.39 0.07 -0.31 0.00 0.00 0.00 175.10 175.37 3kxf s TYR 89 N 1.42 3.11 -0.13 5.22 1.51 -0.46 -0.49 117.35 127.53 3kxf s TYR 89 Ca 0.05 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 3kxf s TYR 89 Cb -0.15 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 3kxf s TYR 89 CO 0.01 -0.26 -0.17 -0.06 -1.11 0.00 0.00 175.55 173.96 3kxf s PHE 90 N 1.39 2.74 -0.01 2.71 0.08 -0.53 -1.39 117.98 122.97 3kxf s PHE 90 Ca 0.05 -0.88 -0.16 0.00 0.12 0.00 0.00 56.93 56.07 3kxf s PHE 90 Cb -0.15 -1.82 -0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3kxf s PHE 90 CO 0.04 -0.35 0.43 0.00 -0.10 0.00 0.00 175.22 175.24 3kxf s ALA 92 N -0.79 1.36 -0.46 0.00 0.00 0.44 -1.64 121.76 120.68 3kxf s ALA 92 Ca 0.24 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.42 3kxf s ALA 92 Cb -0.17 -0.27 0.19 0.00 0.00 0.00 0.00 23.12 22.87 3kxf s ALA 92 CO 0.13 0.30 0.54 0.45 0.00 0.00 0.00 175.76 177.18 3kxf n SER 93 N 2.14 -1.78 -4.78 0.00 2.88 -0.35 0.32 113.62 112.05 3kxf n SER 93 Ca -0.17 -2.67 -0.36 0.00 -1.33 0.00 0.00 58.87 54.34 3kxf n SER 93 Cb 0.54 0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 64.48 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 0.34 4.00 0.00 -1.46 0.04 -1.26 -4.70 135.00 131.95 3kxf s PRO 94 Ca 0.32 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.95 3kxf s PRO 94 Cb 0.04 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3kxf s PRO 94 CO -0.14 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.01 3kxf n GLY 95 N 0.33 5.28 0.00 0.56 0.00 -1.26 -4.92 105.19 105.18 3kxf n GLY 95 Ca 0.06 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.66 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 0.21 -3.34 0.99 4.77 -1.26 -4.77 117.00 113.61 3kxf n LEU 96 Ca 0.00 -0.36 -0.33 0.00 -0.03 0.00 0.00 56.01 55.29 3kxf n LEU 96 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3kxf n LEU 96 CO 0.00 0.05 0.62 0.00 -1.33 0.00 0.00 177.39 176.73 3kxf n ALA 97 N -1.30 5.04 0.24 -1.18 0.00 -1.26 -4.86 120.51 117.18 3kxf n ALA 97 Ca 0.01 -4.70 0.09 0.00 0.00 0.00 0.00 53.44 48.83 3kxf n ALA 97 Cb 0.11 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 18.81 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 3.80 0.00 2.00 0.00 0.00 -1.86 -2.87 103.07 104.14 3kxf h GLY 98 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 3kxf h GLY 98 CO 0.98 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 178.35 3kxf h GLU 99 N 0.00 0.00 0.00 4.80 3.07 -2.01 -3.19 114.58 117.24 3kxf h GLU 99 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kxf h GLU 99 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3kxf h GLU 99 CO 0.02 0.01 -0.31 2.48 -1.40 0.00 0.00 179.01 179.82 3kxf n TYR 100 N -3.74 0.00 -4.04 4.33 4.11 -1.17 -5.04 117.16 111.61 3kxf n TYR 100 Ca -0.03 -0.03 -0.18 0.00 -0.00 0.00 0.00 57.90 57.67 3kxf n TYR 100 Cb 0.09 -0.03 -0.16 0.00 -0.00 0.00 0.00 39.34 39.24 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 -0.07 0.50 -0.17 -3.48 2.02 -1.09 -5.02 118.70 111.38 3kxf s GLU 101 Ca 0.01 -0.02 -0.26 0.00 0.02 0.00 0.00 54.97 54.72 3kxf s GLU 101 Cb 0.01 -0.59 -0.01 0.00 0.10 0.00 0.00 34.13 33.63 3kxf s GLU 101 CO 0.00 -0.09 0.85 -1.14 0.02 0.00 0.00 175.26 174.90 3kxf s GLN 102 N 0.84 4.29 0.00 1.61 2.00 -1.26 -4.57 119.66 122.57 3kxf s GLN 102 Ca -0.10 1.04 0.21 0.00 -2.00 0.00 0.00 55.36 54.51 3kxf s GLN 102 Cb -0.13 -3.58 0.31 0.00 0.80 0.00 0.00 33.01 30.41 3kxf s GLN 102 CO -0.01 -0.36 1.27 0.66 -0.50 0.00 0.00 175.29 176.36 3kxf n TYR 103 N 5.33 0.30 -4.75 1.67 0.53 -1.26 -2.49 117.16 116.49 3kxf n TYR 103 Ca 0.05 -0.17 -0.24 0.00 -1.02 0.00 0.00 57.90 56.51 3kxf n TYR 103 Cb 0.49 -0.00 -0.16 0.00 -1.03 0.00 0.00 39.34 38.64 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 -1.50 1.52 0.66 -0.72 0.40 -1.26 -1.21 117.98 115.87 3kxf s PHE 104 Ca 0.31 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.11 3kxf s PHE 104 Cb 0.19 -1.01 -0.00 0.00 0.51 0.00 0.00 43.02 42.71 3kxf s PHE 104 CO 0.27 -0.10 1.16 0.20 0.70 0.00 0.00 175.22 177.45 3kxf s GLY 105 N -0.10 2.36 0.40 4.36 0.00 -0.65 -4.70 107.32 108.99 3kxf s GLY 105 Ca 0.00 0.75 0.23 0.00 0.00 0.00 0.00 44.72 45.70 3kxf s GLY 105 CO 0.01 1.13 1.68 -0.56 0.00 0.00 0.00 173.10 175.36 3kxf h PRO 106 N 0.21 0.23 0.00 2.90 0.13 -1.88 -3.43 132.00 130.16 3kxf h PRO 106 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kxf h PRO 106 Cb 1.27 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kxf h PRO 106 CO 0.53 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 3kxf n GLY 107 N -1.45 2.19 3.71 1.56 0.00 -1.26 -5.05 105.19 104.89 3kxf n GLY 107 Ca 0.32 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.61 5.12 -0.33 2.61 -4.23 -0.48 -4.83 115.64 112.89 3kxf s THR 108 Ca 0.00 0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.38 3kxf s THR 108 Cb 0.00 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 70.54 3kxf s THR 108 CO 0.00 0.48 0.68 -0.13 -0.54 0.00 0.00 174.62 175.11 3kxf s ARG 109 N 0.12 3.82 -0.11 3.99 1.81 -0.78 -1.36 118.95 126.45 3kxf s ARG 109 Ca 0.07 0.27 0.02 0.00 -1.72 0.00 0.00 55.73 54.37 3kxf s ARG 109 Cb -0.12 -3.76 0.01 0.00 -0.45 0.00 0.00 34.95 30.63 3kxf s ARG 109 CO -0.00 -0.68 -0.17 -1.17 -0.68 0.00 0.00 175.30 172.60 3kxf s LEU 110 N 2.76 1.81 -0.11 2.53 0.20 -0.74 -1.85 118.68 123.28 3kxf s LEU 110 Ca 0.27 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.66 3kxf s LEU 110 Cb -0.14 -1.15 0.01 0.00 -0.43 0.00 0.00 46.19 44.48 3kxf s LEU 110 CO 0.14 0.04 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.16 3kxf s THR 111 N 0.85 1.74 -0.25 3.68 2.01 -1.23 -1.35 115.64 121.10 3kxf s THR 111 Ca -0.09 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 3kxf s THR 111 Cb -0.15 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3kxf s THR 111 CO 0.00 0.49 0.06 -0.69 -0.69 0.00 0.00 174.62 173.79 3kxf s VAL 112 N 0.72 4.20 0.11 3.82 1.01 -1.26 -2.36 120.40 126.64 3kxf s VAL 112 Ca -0.11 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.73 3kxf s VAL 112 Cb -0.16 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3kxf s VAL 112 CO 0.02 0.33 -0.25 0.28 0.00 0.00 0.00 175.10 175.48 3kxf s THR 113 N 1.60 2.11 -0.02 3.92 -1.32 -0.03 -4.42 115.64 117.48 3kxf s THR 113 Ca 0.06 -1.63 -0.25 0.00 -1.21 0.00 0.00 61.69 58.66 3kxf s THR 113 Cb -0.15 -1.86 -0.19 0.00 -1.51 0.00 0.00 72.50 68.79 3kxf s THR 113 CO 0.03 0.12 1.22 -0.08 -2.21 0.00 0.00 174.62 173.70 3kxf h GLU 114 N 4.13 -0.08 -5.21 7.08 4.81 -1.96 -2.11 114.58 121.24 3kxf h GLU 114 Ca -0.49 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.13 3kxf h GLU 114 Cb 1.17 0.02 -0.17 0.00 0.63 0.00 0.00 28.75 30.40 3kxf h GLU 114 CO 0.40 0.38 -0.56 0.34 -0.73 0.00 0.00 179.01 178.84 3kxf s ASP 115 N -5.58 5.64 0.28 1.04 2.15 -1.26 -4.44 116.67 114.50 3kxf s ASP 115 Ca -0.15 0.05 0.26 0.00 0.43 0.00 0.00 52.55 53.13 3kxf s ASP 115 Cb 0.02 -1.98 0.86 0.00 -0.30 0.00 0.00 42.92 41.52 3kxf s ASP 115 CO 0.63 0.13 1.76 -0.07 -0.17 0.00 0.00 175.17 177.45 3kxf h LEU 116 N 7.00 0.00 -2.34 -1.34 3.38 -1.94 -2.50 115.31 117.57 3kxf h LEU 116 Ca -0.37 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 3kxf h LEU 116 Cb 1.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 3kxf h LEU 116 CO 0.68 0.00 0.13 1.17 0.09 0.00 0.00 178.44 180.51 3kxf n LYS 117 N -2.43 1.36 0.00 1.13 4.81 -1.26 -2.43 118.16 119.35 3kxf n LYS 117 Ca 0.04 -0.68 0.07 0.00 -0.87 0.00 0.00 58.31 56.87 3kxf n LYS 117 Cb 0.37 -1.32 -0.13 0.00 0.02 0.00 0.00 35.03 33.97 3kxf n LYS 117 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3kxf n ASN 118 N 0.13 0.24 -4.61 3.14 5.03 -0.94 -4.93 115.26 113.32 3kxf n ASN 118 Ca 0.13 0.10 -0.43 0.00 0.87 0.00 0.00 54.58 55.25 3kxf n ASN 118 Cb 0.73 1.40 -0.02 0.00 -1.02 0.00 0.00 39.78 40.86 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 -3.30 3.95 0.01 2.41 1.01 -1.02 -4.53 120.40 118.93 3kxf s VAL 119 Ca -0.06 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.00 3kxf s VAL 119 Cb 0.12 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3kxf s VAL 119 CO 0.87 -0.67 -0.25 -0.36 0.00 0.00 0.00 175.10 174.69 3kxf s PHE 120 N 5.16 2.36 0.84 5.22 0.08 -0.96 -4.76 117.98 125.92 3kxf s PHE 120 Ca 0.60 -0.41 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 3kxf s PHE 120 Cb -0.15 -1.46 0.09 0.00 -0.57 0.00 0.00 43.02 40.93 3kxf s PHE 120 CO 0.30 0.05 1.10 -1.25 -0.10 0.00 0.00 175.22 175.33 3kxf s PRO 121 N -0.90 1.76 0.59 0.24 0.04 -1.26 -1.42 135.00 134.04 3kxf s PRO 121 Ca 0.11 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 61.65 3kxf s PRO 121 Cb -0.10 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 3kxf s PRO 121 CO 0.01 -1.84 0.97 -1.25 0.04 0.00 0.00 177.00 174.93 3kxf s PRO 122 N -5.15 3.47 -0.74 0.56 0.05 -1.26 -4.30 135.00 127.64 3kxf s PRO 122 Ca 0.62 0.55 -0.10 0.00 0.05 0.00 0.00 61.00 62.11 3kxf s PRO 122 Cb -0.15 -2.16 0.19 0.00 0.05 0.00 0.00 34.50 32.44 3kxf s PRO 122 CO 0.54 -0.54 0.64 -1.21 0.05 0.00 0.00 177.00 176.49 3kxf s GLU 123 N -5.08 3.21 -0.22 4.56 2.02 0.10 -4.85 118.70 118.44 3kxf s GLU 123 Ca 0.53 -2.42 -0.29 0.00 0.02 0.00 0.00 54.97 52.81 3kxf s GLU 123 Cb -0.11 -4.19 0.01 0.00 0.10 0.00 0.00 34.13 29.94 3kxf s GLU 123 CO 0.51 -1.25 1.07 0.08 0.02 0.00 0.00 175.26 175.69 3kxf s VAL 124 N 0.20 4.62 -0.04 2.63 1.01 -1.26 -2.76 120.40 124.80 3kxf s VAL 124 Ca 0.16 1.95 -0.00 0.00 0.00 0.00 0.00 61.98 64.10 3kxf s VAL 124 Cb -0.15 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.00 3kxf s VAL 124 CO -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 175.10 174.87 3kxf s ALA 125 N 3.22 0.43 -0.15 5.51 0.00 -1.02 -4.47 121.76 125.28 3kxf s ALA 125 Ca 0.46 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 3kxf s ALA 125 Cb -0.16 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3kxf s ALA 125 CO 0.08 -0.21 0.22 0.08 0.00 0.00 0.00 175.76 175.93 3kxf s VAL 126 N 1.38 5.36 -0.17 0.00 1.01 -1.26 -0.38 120.40 126.33 3kxf s VAL 126 Ca -0.05 0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 3kxf s VAL 126 Cb -0.13 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3kxf s VAL 126 CO -0.02 0.48 0.02 -0.36 0.00 0.00 0.00 175.10 175.21 3kxf s PHE 127 N -0.07 3.15 0.28 5.22 0.40 0.17 -4.99 117.98 122.13 3kxf s PHE 127 Ca 0.14 -0.11 -0.29 0.00 -0.60 0.00 0.00 56.93 56.08 3kxf s PHE 127 Cb -0.13 -2.03 -0.09 0.00 0.51 0.00 0.00 43.02 41.29 3kxf s PHE 127 CO 0.03 0.06 1.00 -1.21 0.70 0.00 0.00 175.22 175.80 3kxf s GLU 128 N 0.39 4.70 0.91 0.44 2.02 -1.26 -2.34 118.70 123.56 3kxf s GLU 128 Ca -0.00 1.58 -0.14 0.00 0.02 0.00 0.00 54.97 56.43 3kxf s GLU 128 Cb -0.13 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 3kxf s GLU 128 CO 0.01 0.34 0.22 -0.35 0.02 0.00 0.00 175.26 175.50 3kxf n PRO 129 N 1.16 -0.12 -1.40 0.39 -0.04 -1.22 -4.95 135.00 128.80 3kxf n PRO 129 Ca -0.01 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 3kxf n PRO 129 Cb 0.47 -1.70 0.11 0.00 -0.04 0.00 0.00 33.50 32.34 3kxf n PRO 129 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kxf s SER 130 N -1.73 4.11 0.24 3.54 1.04 -1.26 -4.97 113.70 114.66 3kxf s SER 130 Ca 0.56 1.41 0.25 0.00 0.48 0.00 0.00 55.95 58.64 3kxf s SER 130 Cb -0.24 -2.12 0.58 0.00 0.10 0.00 0.00 66.02 64.35 3kxf s SER 130 CO 0.68 -2.23 1.62 1.05 0.98 0.00 0.00 173.24 175.34 3kxf h GLU 131 N -1.27 0.00 0.00 4.02 -0.00 -2.00 -3.34 114.58 111.99 3kxf h GLU 131 Ca -0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 58.81 3kxf h GLU 131 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.01 3kxf h GLU 131 CO 0.57 0.00 -0.42 0.00 -0.00 0.00 0.00 179.01 179.16 3kxf h ALA 132 N 2.39 0.08 -0.97 1.06 0.00 -1.98 -3.29 119.26 116.54 3kxf h ALA 132 Ca 0.00 -0.63 0.17 0.00 0.00 0.00 0.00 54.91 54.44 3kxf h ALA 132 Cb 0.81 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 3kxf h ALA 132 CO 0.00 0.26 0.58 1.49 0.00 0.00 0.00 179.25 181.57 3kxf h GLU 133 N -1.00 0.76 -0.09 0.00 4.81 -1.88 -0.94 114.58 116.23 3kxf h GLU 133 Ca -0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3kxf h GLU 133 Cb 0.89 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 3kxf h GLU 133 CO -0.06 0.50 0.06 0.82 -0.73 0.00 0.00 179.01 179.59 3kxf h ILE 134 N 0.78 1.06 0.00 2.32 2.04 -1.65 -2.22 117.51 119.83 3kxf h ILE 134 Ca 0.54 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.24 3kxf h ILE 134 Cb 0.76 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3kxf h ILE 134 CO -0.36 0.05 0.00 -1.54 0.00 0.00 0.00 178.15 176.31 3kxf n SER 135 N -5.00 0.00 0.00 1.72 3.41 -0.50 -2.80 113.62 110.46 3kxf n SER 135 Ca -0.05 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3kxf n SER 135 Cb 0.05 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3kxf n SER 135 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kxf n HIS 136 N -1.25 0.00 1.67 7.33 -0.00 -0.48 -4.76 115.22 117.74 3kxf n HIS 136 Ca 0.14 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.98 3kxf n HIS 136 Cb 0.20 0.00 0.59 0.00 -0.00 0.00 0.00 29.99 30.79 3kxf n HIS 136 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3kxf n THR 137 N -2.05 0.05 -1.08 3.57 -2.24 -0.85 -4.90 114.28 106.77 3kxf n THR 137 Ca 0.00 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 3kxf n THR 137 Cb 0.00 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.31 -0.93 -4.69 -0.78 1.13 -1.12 -4.98 117.38 105.70 3kxf n GLN 138 Ca 0.18 0.42 -0.31 0.00 -1.94 0.00 0.00 57.00 55.35 3kxf n GLN 138 Cb 0.22 -4.22 -0.08 0.00 0.11 0.00 0.00 30.24 26.27 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 -1.51 2.12 -0.11 -1.09 -0.14 -1.24 -2.73 119.74 115.04 3kxf s LYS 139 Ca 0.00 -2.33 -0.06 0.00 -1.36 0.00 0.00 55.97 52.22 3kxf s LYS 139 Cb 0.00 -1.28 0.04 0.00 -1.68 0.00 0.00 37.83 34.91 3kxf s LYS 139 CO 0.00 -0.39 0.25 0.00 -0.76 0.00 0.00 175.35 174.46 3kxf s ALA 140 N -2.96 -0.58 -0.18 5.17 0.00 -0.46 -2.96 121.76 119.78 3kxf s ALA 140 Ca 0.11 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 3kxf s ALA 140 Cb 0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3kxf s ALA 140 CO 0.07 -0.19 -0.06 0.99 0.00 0.00 0.00 175.76 176.57 3kxf s THR 141 N 1.11 3.47 -0.17 0.00 2.01 -1.26 -0.89 115.64 119.90 3kxf s THR 141 Ca -0.08 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 3kxf s THR 141 Cb -0.09 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 3kxf s THR 141 CO -0.07 0.46 0.47 -0.76 -0.69 0.00 0.00 174.62 174.03 3kxf s LEU 142 N 0.90 4.20 -0.20 4.42 1.43 0.16 -3.45 118.68 126.14 3kxf s LEU 142 Ca -0.01 0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 53.73 3kxf s LEU 142 Cb -0.15 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 3kxf s LEU 142 CO 0.01 -0.08 -0.03 -0.69 0.23 0.00 0.00 176.35 175.79 3kxf s VAL 143 N 1.14 3.63 -0.03 -1.59 1.01 -0.99 -1.17 120.40 122.41 3kxf s VAL 143 Ca 0.23 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 3kxf s VAL 143 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3kxf s VAL 143 CO 0.09 0.44 0.10 0.00 0.00 0.00 0.00 175.10 175.73 3kxf s LEU 145 N -1.62 0.69 -0.30 0.00 2.96 0.48 -1.35 118.68 119.55 3kxf s LEU 145 Ca 0.22 -1.86 -0.26 0.00 -0.22 0.00 0.00 54.13 52.02 3kxf s LEU 145 Cb -0.12 -0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.35 3kxf s LEU 145 CO 0.13 -0.33 0.89 0.00 -1.32 0.00 0.00 176.35 175.72 3kxf s ALA 146 N 1.39 3.55 0.09 5.97 0.00 -0.39 -2.44 121.76 129.93 3kxf s ALA 146 Ca 0.16 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.94 3kxf s ALA 146 Cb -0.20 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3kxf s ALA 146 CO -0.09 -1.24 -0.19 0.95 0.00 0.00 0.00 175.76 175.19 3kxf s THR 147 N 3.16 1.57 -0.96 0.00 -4.23 -1.11 -0.10 115.64 113.96 3kxf s THR 147 Ca 0.37 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 3kxf s THR 147 Cb -0.14 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3kxf s THR 147 CO 0.12 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3kxf n GLY 148 N 1.15 0.61 3.83 3.99 0.00 0.11 -0.72 105.19 114.16 3kxf n GLY 148 Ca -0.20 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.43 3.72 -0.06 1.61 -0.71 -0.31 -4.58 117.98 115.22 3kxf s PHE 149 Ca 0.00 1.09 -0.03 0.00 -1.04 0.00 0.00 56.93 56.95 3kxf s PHE 149 Cb 0.00 -2.37 0.03 0.00 -1.21 0.00 0.00 43.02 39.48 3kxf s PHE 149 CO 0.00 0.57 0.14 -0.47 -1.34 0.00 0.00 175.22 174.11 3kxf s TYR 150 N -1.21 -0.15 0.00 3.49 5.04 -0.51 0.14 117.35 124.15 3kxf s TYR 150 Ca 0.30 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 3kxf s TYR 150 Cb -0.17 -0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.08 3kxf s TYR 150 CO 0.17 -0.15 0.00 -0.35 -1.34 0.00 0.00 175.55 173.88 3kxf n PRO 151 N 3.97 0.04 -1.73 4.97 -0.04 -1.26 -2.26 135.00 138.69 3kxf n PRO 151 Ca -0.24 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.87 3kxf n PRO 151 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 -2.44 7.57 -3.79 3.54 5.75 -1.26 -4.71 116.55 121.21 3kxf n ASP 152 Ca 0.00 -3.06 -0.37 0.00 -0.01 0.00 0.00 54.79 51.35 3kxf n ASP 152 Cb 0.00 -1.35 -0.02 0.00 -1.03 0.00 0.00 41.12 38.72 3kxf n ASP 152 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3kxf n HIS 153 N 1.75 2.74 -4.80 2.11 8.25 -1.26 -5.02 115.22 118.99 3kxf n HIS 153 Ca 0.60 -3.12 -0.27 0.00 -0.26 0.00 0.00 57.72 54.67 3kxf n HIS 153 Cb 0.36 -1.01 -0.15 0.00 1.12 0.00 0.00 29.99 30.32 3kxf n HIS 153 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3kxf s VAL 154 N -2.76 1.80 -0.14 1.59 -7.23 -1.26 -2.40 120.40 110.00 3kxf s VAL 154 Ca 0.34 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 3kxf s VAL 154 Cb 0.09 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.50 3kxf s VAL 154 CO 0.06 0.30 -0.21 -1.61 -0.31 0.00 0.00 175.10 173.34 3kxf s GLU 155 N -1.06 2.90 -0.13 4.82 2.02 -0.69 -4.92 118.70 121.65 3kxf s GLU 155 Ca 0.09 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 3kxf s GLU 155 Cb -0.09 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 3kxf s GLU 155 CO 0.01 -0.02 -0.03 -1.17 0.02 0.00 0.00 175.26 174.07 3kxf s LEU 156 N 0.84 3.33 -0.01 1.80 0.20 -1.26 0.68 118.68 124.26 3kxf s LEU 156 Ca -0.07 -0.05 -0.02 0.00 0.69 0.00 0.00 54.13 54.69 3kxf s LEU 156 Cb -0.15 -1.78 -0.00 0.00 -0.43 0.00 0.00 46.19 43.82 3kxf s LEU 156 CO -0.02 0.24 0.03 -0.94 -0.29 0.00 0.00 176.35 175.38 3kxf s SER 157 N -0.09 0.01 0.20 3.68 1.04 0.12 -5.00 113.70 113.66 3kxf s SER 157 Ca 0.02 -0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 3kxf s SER 157 Cb -0.13 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 3kxf s SER 157 CO 0.02 -0.08 0.41 0.26 0.98 0.00 0.00 173.24 174.83 3kxf s TRP 158 N -0.30 3.48 -0.30 5.02 0.52 -1.26 -0.12 118.94 125.98 3kxf s TRP 158 Ca -0.03 0.43 -0.03 0.00 0.02 0.00 0.00 56.10 56.49 3kxf s TRP 158 Cb -0.02 -1.92 0.11 0.00 -1.15 0.00 0.00 33.47 30.49 3kxf s TRP 158 CO -0.00 0.36 0.19 -1.58 0.02 0.00 0.00 176.95 175.94 3kxf s TRP 159 N -1.85 0.12 -0.38 -1.98 0.52 0.26 -2.68 118.94 112.94 3kxf s TRP 159 Ca 0.40 -0.74 -0.17 0.00 0.02 0.00 0.00 56.10 55.60 3kxf s TRP 159 Cb -0.11 -0.77 0.01 0.00 -1.15 0.00 0.00 33.47 31.44 3kxf s TRP 159 CO 0.28 -0.86 0.45 0.08 0.02 0.00 0.00 176.95 176.92 3kxf s VAL 160 N 2.08 5.08 -0.96 4.03 1.01 -0.80 -0.77 120.40 130.07 3kxf s VAL 160 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3kxf s VAL 160 Cb -0.16 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3kxf s VAL 160 CO -0.32 -0.28 0.00 0.59 0.00 0.00 0.00 175.10 175.08 3kxf n ASN 161 N 5.61 -2.92 0.00 3.32 3.02 -0.80 -0.46 115.26 123.03 3kxf n ASN 161 Ca -0.07 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3kxf n ASN 161 Cb 0.48 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 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 -0.43 0.57 3.41 7.41 0.00 -1.26 -5.05 105.19 109.84 3kxf n GLY 162 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.81 3.38 -0.67 1.61 1.02 0.39 -5.03 119.74 119.62 3kxf s LYS 163 Ca 0.00 -0.67 -0.26 0.00 0.02 0.00 0.00 55.97 55.06 3kxf s LYS 163 Cb 0.00 -3.39 -0.08 0.00 -0.52 0.00 0.00 37.83 33.84 3kxf s LYS 163 CO 0.00 -0.33 2.26 -2.00 -0.92 0.00 0.00 175.35 174.36 3kxf s GLU 164 N 1.57 2.07 0.67 1.68 -6.30 -1.26 -1.91 118.70 115.22 3kxf s GLU 164 Ca 0.05 0.73 -0.11 0.00 -2.50 0.00 0.00 54.97 53.13 3kxf s GLU 164 Cb -0.16 -4.69 -0.01 0.00 0.00 0.00 0.00 34.13 29.27 3kxf s GLU 164 CO 0.04 -3.62 1.05 0.14 0.02 0.00 0.00 175.26 172.89 3kxf s VAL 165 N 12.33 4.14 0.00 3.70 -7.23 -1.09 -4.98 120.40 127.27 3kxf s VAL 165 Ca 0.87 0.73 0.00 0.00 -1.81 0.00 0.00 61.98 61.78 3kxf s VAL 165 Cb -0.13 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.32 3kxf s VAL 165 CO 0.15 -0.87 0.00 1.41 -0.31 0.00 0.00 175.10 175.48 3kxf n HIS 166 N -2.91 0.00 -1.87 2.82 8.25 -1.26 -4.60 115.22 115.64 3kxf n HIS 166 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 3kxf n HIS 166 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 3kxf n HIS 166 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3kxf s SER 167 N -1.16 6.58 -0.33 0.41 0.15 -1.26 -2.47 113.70 115.62 3kxf s SER 167 Ca 0.00 2.45 0.00 0.00 0.70 0.00 0.00 55.95 59.10 3kxf s SER 167 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3kxf s SER 167 CO 0.00 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.09 3kxf n GLY 168 N 4.22 0.44 3.88 9.45 0.00 -1.26 -4.82 105.19 117.09 3kxf n GLY 168 Ca 0.18 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.15 5.10 -0.14 1.61 1.01 -1.03 -0.31 120.40 124.49 3kxf s VAL 169 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 3kxf s VAL 169 Cb 0.00 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.93 3kxf s VAL 169 CO 0.00 0.10 0.33 0.00 0.00 0.00 0.00 175.10 175.53 3kxf s THR 171 N 1.03 0.51 0.28 0.00 2.01 -1.26 0.13 115.64 118.35 3kxf s THR 171 Ca -0.07 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 3kxf s THR 171 Cb -0.08 -0.45 -0.14 0.00 0.01 0.00 0.00 72.50 71.84 3kxf s THR 171 CO -0.08 0.16 1.16 0.47 -0.69 0.00 0.00 174.62 175.65 3kxf n ASP 172 N 3.17 1.92 0.00 3.53 8.00 -1.17 -4.96 116.55 127.05 3kxf n ASP 172 Ca -0.16 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.52 3kxf n ASP 172 Cb 0.56 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 3kxf n ASP 172 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3kxf n PRO 173 N 0.99 0.00 -3.84 -0.24 -0.02 -1.26 -4.73 135.00 125.91 3kxf n PRO 173 Ca 0.09 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 3kxf n PRO 173 Cb 0.32 -1.49 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 3kxf n PRO 173 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3kxf s GLU 174 N -2.95 3.64 0.89 -0.52 2.02 -1.26 -5.10 118.70 115.42 3kxf s GLU 174 Ca 0.00 -0.15 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 3kxf s GLU 174 Cb 0.00 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.99 3kxf s GLU 174 CO 0.00 0.65 0.42 -2.30 0.02 0.00 0.00 175.26 174.05 3kxf n PRO 175 N 2.38 -0.11 -4.16 0.39 -0.02 -1.26 -5.01 135.00 127.21 3kxf n PRO 175 Ca -0.19 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 60.96 3kxf n PRO 175 Cb 0.54 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.65 3.64 0.16 2.45 2.96 0.22 -4.96 118.68 122.50 3kxf s LEU 176 Ca 0.59 0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 54.23 3kxf s LEU 176 Cb -0.25 -1.90 -0.07 0.00 0.50 0.00 0.00 46.19 44.47 3kxf s LEU 176 CO 0.65 0.20 0.97 -0.54 -1.32 0.00 0.00 176.35 176.32 3kxf s LYS 177 N 0.19 4.74 0.00 1.98 1.02 -1.26 0.19 119.74 126.60 3kxf s LYS 177 Ca 0.02 1.50 -0.17 0.00 0.02 0.00 0.00 55.97 57.34 3kxf s LYS 177 Cb -0.13 -3.33 -0.34 0.00 -0.52 0.00 0.00 37.83 33.51 3kxf s LYS 177 CO 0.01 0.30 0.95 0.93 -0.92 0.00 0.00 175.35 176.62 3kxf h GLU 178 N 5.02 0.47 -2.37 1.68 5.08 -1.77 -3.44 114.58 119.25 3kxf h GLU 178 Ca -0.44 -0.81 -0.33 0.00 -1.00 0.00 0.00 59.36 56.78 3kxf h GLU 178 Cb 1.21 0.30 -0.35 0.00 0.50 0.00 0.00 28.75 30.41 3kxf h GLU 178 CO 0.70 1.39 -0.63 1.14 -1.00 0.00 0.00 179.01 180.61 3kxf s GLN 179 N -2.55 0.25 0.53 2.33 0.00 -1.26 -5.03 119.66 113.92 3kxf s GLN 179 Ca -0.11 0.03 0.26 0.00 -0.00 0.00 0.00 55.36 55.54 3kxf s GLN 179 Cb 0.03 -0.96 1.50 0.00 0.00 0.00 0.00 33.01 33.58 3kxf s GLN 179 CO 0.91 -0.82 2.13 -1.35 0.00 0.00 0.00 175.29 176.15 3kxf h PRO 180 N 8.29 0.00 -0.34 9.60 0.11 -1.97 -3.28 132.00 144.41 3kxf h PRO 180 Ca -0.16 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.00 3kxf h PRO 180 Cb 1.11 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3kxf h PRO 180 CO 0.31 0.08 -0.14 0.00 -0.21 0.00 0.00 178.00 178.05 3kxf n ALA 181 N -2.34 -0.06 -3.32 -0.75 0.00 -1.26 -3.82 120.51 108.96 3kxf n ALA 181 Ca -0.02 0.34 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 3kxf n ALA 181 Cb 0.18 -0.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.34 3kxf n ALA 181 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kxf s LEU 182 N -8.99 2.76 0.00 0.00 2.34 -1.24 -5.01 118.68 108.54 3kxf s LEU 182 Ca -0.05 -0.37 0.03 0.00 0.06 0.00 0.00 54.13 53.81 3kxf s LEU 182 Cb 0.07 -1.66 0.21 0.00 -0.56 0.00 0.00 46.19 44.25 3kxf s LEU 182 CO 0.24 0.08 0.67 -0.46 -1.06 0.00 0.00 176.35 175.83 3kxf n ASN 183 N 4.10 0.00 -2.50 1.48 6.94 -1.25 -2.17 115.26 121.86 3kxf n ASN 183 Ca -0.18 -0.86 -0.30 0.00 -0.02 0.00 0.00 54.58 53.21 3kxf n ASN 183 Cb 0.52 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.96 3kxf n ASN 183 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3kxf n ASP 184 N -0.61 5.69 -4.83 0.53 5.68 -1.26 -5.06 116.55 116.69 3kxf n ASP 184 Ca 0.03 -3.76 -0.35 0.00 -0.50 0.00 0.00 54.79 50.21 3kxf n ASP 184 Cb 0.01 -0.63 -0.06 0.00 -1.14 0.00 0.00 41.12 39.30 3kxf n ASP 184 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3kxf s SER 185 N -2.81 6.96 0.55 -1.12 0.15 -0.92 -5.04 113.70 111.47 3kxf s SER 185 Ca 0.51 1.36 -0.19 0.00 0.70 0.00 0.00 55.95 58.33 3kxf s SER 185 Cb 0.42 -2.40 -0.06 0.00 -1.71 0.00 0.00 66.02 62.28 3kxf s SER 185 CO -0.19 -0.04 1.10 -0.13 1.20 0.00 0.00 173.24 175.18 3kxf s ARG 186 N -2.31 3.38 0.30 5.44 0.52 -1.26 -4.85 118.95 120.16 3kxf s ARG 186 Ca 0.47 1.50 0.08 0.00 -0.52 0.00 0.00 55.73 57.25 3kxf s ARG 186 Cb -0.14 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3kxf s ARG 186 CO 0.20 -0.80 0.19 0.71 0.02 0.00 0.00 175.30 175.61 3kxf s TYR 187 N -1.94 2.91 0.08 -0.53 2.02 0.36 -2.17 117.35 118.08 3kxf s TYR 187 Ca 0.70 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 57.20 3kxf s TYR 187 Cb -0.21 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 3kxf s TYR 187 CO 0.28 0.40 -0.09 0.00 -1.57 0.00 0.00 175.55 174.57 3kxf s ALA 188 N -2.27 0.95 -0.10 3.71 0.00 0.13 0.04 121.76 124.23 3kxf s ALA 188 Ca 0.36 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 3kxf s ALA 188 Cb -0.06 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3kxf s ALA 188 CO 0.24 -0.04 0.34 -1.17 0.00 0.00 0.00 175.76 175.13 3kxf s LEU 189 N -2.24 0.71 0.06 0.00 2.96 0.86 -0.61 118.68 120.42 3kxf s LEU 189 Ca 0.02 0.52 0.09 0.00 -0.22 0.00 0.00 54.13 54.53 3kxf s LEU 189 Cb -0.04 1.23 -0.03 0.00 0.50 0.00 0.00 46.19 47.85 3kxf s LEU 189 CO -0.00 -0.22 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.64 3kxf s SER 190 N -0.28 3.51 0.20 3.68 1.04 -1.26 -1.26 113.70 119.33 3kxf s SER 190 Ca -0.04 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.89 3kxf s SER 190 Cb -0.03 -0.44 -0.05 0.00 0.10 0.00 0.00 66.02 65.60 3kxf s SER 190 CO 0.02 0.24 -0.03 -0.55 0.98 0.00 0.00 173.24 173.90 3kxf s SER 191 N -1.49 1.79 0.00 7.02 0.15 -0.46 -3.05 113.70 117.66 3kxf s SER 191 Ca 0.14 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.63 3kxf s SER 191 Cb -0.10 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 3kxf s SER 191 CO 0.04 -0.47 -0.02 -0.13 1.20 0.00 0.00 173.24 173.87 3kxf s ARG 192 N -3.83 0.16 -0.09 5.44 0.52 0.12 -1.37 118.95 119.89 3kxf s ARG 192 Ca 0.25 -0.17 -0.02 0.00 -0.52 0.00 0.00 55.73 55.27 3kxf s ARG 192 Cb 0.05 -0.08 0.04 0.00 0.52 0.00 0.00 34.95 35.48 3kxf s ARG 192 CO 0.06 0.02 0.03 -1.17 0.02 0.00 0.00 175.30 174.26 3kxf s LEU 193 N -0.33 0.49 -0.25 2.53 2.96 -0.32 -0.26 118.68 123.51 3kxf s LEU 193 Ca -0.03 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 3kxf s LEU 193 Cb -0.02 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 3kxf s LEU 193 CO -0.00 -0.24 0.07 -0.60 -1.32 0.00 0.00 176.35 174.26 3kxf s ARG 194 N 2.04 3.68 0.27 1.98 3.52 0.58 -0.66 118.95 130.37 3kxf s ARG 194 Ca 0.04 -0.46 0.09 0.00 -0.13 0.00 0.00 55.73 55.27 3kxf s ARG 194 Cb -0.13 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 3kxf s ARG 194 CO -0.05 -0.16 0.04 0.14 -0.81 0.00 0.00 175.30 174.45 3kxf s VAL 195 N 1.55 3.52 0.61 7.11 -7.23 -0.07 -4.72 120.40 121.17 3kxf s VAL 195 Ca 0.06 -1.82 -0.18 0.00 -1.81 0.00 0.00 61.98 58.23 3kxf s VAL 195 Cb -0.15 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 3kxf s VAL 195 CO 0.04 -0.35 1.17 -0.94 -0.31 0.00 0.00 175.10 174.71 3kxf s SER 196 N -3.72 5.17 0.39 4.85 1.04 -1.26 -1.36 113.70 118.82 3kxf s SER 196 Ca 0.32 2.25 0.10 0.00 0.48 0.00 0.00 55.95 59.10 3kxf s SER 196 Cb -0.06 -2.58 0.88 0.00 0.10 0.00 0.00 66.02 64.35 3kxf s SER 196 CO 0.21 -1.60 1.94 0.00 0.98 0.00 0.00 173.24 174.78 3kxf h ALA 197 N 0.62 1.87 0.00 5.32 0.00 -1.78 0.13 119.26 125.42 3kxf h ALA 197 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kxf h ALA 197 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kxf h ALA 197 CO 0.55 -0.02 -0.38 1.79 0.00 0.00 0.00 179.25 181.18 3kxf h THR 198 N 0.60 0.00 -0.25 0.00 1.35 -1.92 -1.58 112.91 111.12 3kxf h THR 198 Ca 0.33 -0.64 -0.18 0.00 -0.55 0.00 0.00 66.41 65.37 3kxf h THR 198 Cb 0.50 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3kxf h THR 198 CO -0.12 0.00 -0.57 0.15 -0.25 0.00 0.00 175.52 174.73 3kxf h PHE 199 N 0.00 0.99 -0.05 4.73 3.04 -1.37 -3.08 116.94 121.20 3kxf h PHE 199 Ca 0.00 -0.36 -0.11 0.00 3.98 0.00 0.00 57.97 61.48 3kxf h PHE 199 Cb 0.82 -0.18 0.01 0.00 2.56 0.00 0.00 35.95 39.15 3kxf h PHE 199 CO 0.00 1.17 -0.39 2.35 -2.02 0.00 0.00 178.31 179.42 3kxf h TRP 200 N 0.60 0.49 0.00 0.41 2.91 -1.30 -3.33 115.95 115.72 3kxf h TRP 200 Ca 0.01 -0.23 0.00 0.00 1.13 0.00 0.00 58.89 59.80 3kxf h TRP 200 Cb 1.16 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 3kxf h TRP 200 CO 0.07 1.00 0.00 1.04 -1.03 0.00 0.00 178.44 179.51 3kxf n GLN 201 N -4.37 0.00 -2.16 2.65 6.02 -0.60 -3.17 117.38 115.75 3kxf n GLN 201 Ca -0.09 0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 3kxf n GLN 201 Cb 0.55 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 3kxf n GLN 201 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3kxf s ASN 202 N -2.99 6.31 0.61 1.08 2.47 -1.16 -4.09 114.94 117.16 3kxf s ASN 202 Ca 0.09 1.38 0.41 0.00 0.42 0.00 0.00 52.86 55.16 3kxf s ASN 202 Cb 0.12 -2.53 2.11 0.00 -1.45 0.00 0.00 41.25 39.50 3kxf s ASN 202 CO 0.32 -1.35 2.23 -0.65 -3.72 0.00 0.00 177.10 173.93 3kxf h PRO 203 N 10.98 0.00 0.00 0.43 0.11 -1.81 -2.46 132.00 139.24 3kxf h PRO 203 Ca -0.32 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3kxf h PRO 203 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3kxf h PRO 203 CO 1.02 0.00 -0.32 -0.09 -0.21 0.00 0.00 178.00 178.40 3kxf h ARG 204 N 0.00 0.00 -6.79 1.05 1.12 -1.90 -3.41 114.38 104.45 3kxf h ARG 204 Ca 0.00 0.00 -0.50 0.00 -1.11 0.00 0.00 59.98 58.37 3kxf h ARG 204 Cb 0.10 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.08 3kxf h ARG 204 CO 0.00 0.32 0.47 -0.80 -3.11 0.00 0.00 179.97 176.85 3kxf s ASN 205 N -6.39 7.29 -0.05 -3.80 0.01 -0.93 -4.97 114.94 106.10 3kxf s ASN 205 Ca -0.00 2.23 0.04 0.00 -0.71 0.00 0.00 52.86 54.42 3kxf s ASN 205 Cb 0.11 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 3kxf s ASN 205 CO 0.67 -0.13 -0.14 -2.28 -1.51 0.00 0.00 177.10 173.71 3kxf s HIS 206 N -1.06 2.70 -0.18 2.20 5.65 -1.26 -1.52 115.29 121.82 3kxf s HIS 206 Ca 0.45 -0.16 -0.04 0.00 0.25 0.00 0.00 55.06 55.56 3kxf s HIS 206 Cb -0.31 -1.63 0.06 0.00 -1.18 0.00 0.00 32.58 29.52 3kxf s HIS 206 CO 0.40 0.19 0.06 -0.06 -0.65 0.00 0.00 174.74 174.68 3kxf s PHE 207 N -0.73 0.63 0.00 3.88 0.40 -1.24 -1.90 117.98 119.03 3kxf s PHE 207 Ca 0.11 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3kxf s PHE 207 Cb -0.11 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 3kxf s PHE 207 CO 0.01 -0.57 -0.19 0.50 0.70 0.00 0.00 175.22 175.67 3kxf s ARG 208 N 1.99 2.20 -0.11 0.44 3.52 0.05 -1.57 118.95 125.48 3kxf s ARG 208 Ca 0.01 -0.89 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 3kxf s ARG 208 Cb -0.17 -2.21 -0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3kxf s ARG 208 CO -0.09 0.57 -0.20 0.00 -0.81 0.00 0.00 175.30 174.77 3kxf s GLN 210 N 0.40 1.11 -0.12 0.00 0.74 0.83 -1.43 119.66 121.19 3kxf s GLN 210 Ca -0.15 -0.34 0.02 0.00 0.05 0.00 0.00 55.36 54.94 3kxf s GLN 210 Cb -0.17 -1.01 0.01 0.00 1.10 0.00 0.00 33.01 32.94 3kxf s GLN 210 CO 0.07 0.11 -0.17 0.08 -0.55 0.00 0.00 175.29 174.83 3kxf s VAL 211 N 0.26 1.64 -0.48 1.34 1.01 -0.93 0.14 120.40 123.37 3kxf s VAL 211 Ca -0.05 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 3kxf s VAL 211 Cb -0.10 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.83 3kxf s VAL 211 CO 0.01 0.47 0.72 -1.58 0.00 0.00 0.00 175.10 174.72 3kxf s GLN 212 N 1.00 3.26 0.15 2.72 2.00 0.21 -2.74 119.66 126.27 3kxf s GLN 212 Ca -0.06 -0.45 -0.11 0.00 -2.00 0.00 0.00 55.36 52.74 3kxf s GLN 212 Cb -0.15 -4.01 -0.07 0.00 0.80 0.00 0.00 33.01 29.59 3kxf s GLN 212 CO -0.03 -1.18 0.49 0.12 -0.50 0.00 0.00 175.29 174.20 3kxf s PHE 213 N 3.07 3.54 -0.11 1.67 5.36 0.49 -1.70 117.98 130.30 3kxf s PHE 213 Ca 0.23 0.89 0.02 0.00 -0.96 0.00 0.00 56.93 57.11 3kxf s PHE 213 Cb -0.15 -2.25 0.01 0.00 -0.34 0.00 0.00 43.02 40.29 3kxf s PHE 213 CO 0.18 0.41 -0.16 0.71 -1.46 0.00 0.00 175.22 174.89 3kxf s TYR 214 N -1.56 2.08 0.00 10.12 1.51 -1.01 -2.15 117.35 126.34 3kxf s TYR 214 Ca 0.39 -0.98 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 3kxf s TYR 214 Cb -0.13 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 3kxf s TYR 214 CO 0.20 -0.48 0.00 0.41 -1.11 0.00 0.00 175.55 174.56 3kxf n GLY 215 N 4.13 4.39 3.75 0.71 0.00 -1.26 -4.71 105.19 112.20 3kxf n GLY 215 Ca -0.19 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 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 3.84 0.00 0.99 1.02 -0.79 -4.53 118.68 119.22 3kxf s LEU 216 Ca 0.00 2.59 0.00 0.00 0.02 0.00 0.00 54.13 56.74 3kxf s LEU 216 Cb 0.00 -4.33 0.00 0.00 0.02 0.00 0.00 46.19 41.88 3kxf s LEU 216 CO 0.00 -1.45 0.00 -1.54 0.02 0.00 0.00 176.35 173.38 3kxf n SER 217 N -1.04 0.00 0.27 2.29 3.41 -1.26 -3.46 113.62 113.84 3kxf n SER 217 Ca 0.10 -0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.33 3kxf n SER 217 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3kxf n SER 217 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kxf h GLU 218 N 0.00 -0.72 0.00 4.33 5.08 -2.02 -2.98 114.58 118.28 3kxf h GLU 218 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3kxf h GLU 218 Cb 0.00 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kxf h GLU 218 CO 0.00 -0.47 0.00 0.09 -1.00 0.00 0.00 179.01 177.63 3kxf n ASN 219 N -5.27 0.00 -0.07 1.42 3.02 -1.26 -4.21 115.26 108.89 3kxf n ASN 219 Ca -0.10 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.39 3kxf n ASN 219 Cb 0.30 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.36 3kxf n ASN 219 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kxf n ASP 220 N 0.37 1.66 -1.53 6.41 -0.08 -1.12 -5.12 116.55 117.14 3kxf n ASP 220 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3kxf n ASP 220 Cb 0.00 0.84 0.00 0.00 2.34 0.00 0.00 41.12 44.30 3kxf n ASP 220 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3kxf n GLU 221 N -2.50 -3.82 -3.68 -0.67 -0.58 -1.26 -4.95 120.64 103.18 3kxf n GLU 221 Ca -0.22 2.85 -0.15 0.00 -0.42 0.00 0.00 57.16 59.22 3kxf n GLU 221 Cb 0.94 -2.93 -0.14 0.00 -0.57 0.00 0.00 31.44 28.74 3kxf n GLU 221 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3kxf s TRP 222 N -0.57 -0.27 -0.50 -0.32 -0.11 -1.26 -5.09 118.94 110.82 3kxf s TRP 222 Ca 0.00 0.74 0.05 0.00 1.22 0.00 0.00 56.10 58.11 3kxf s TRP 222 Cb 0.00 -0.14 0.19 0.00 -1.50 0.00 0.00 33.47 32.03 3kxf s TRP 222 CO 0.00 -0.28 0.45 0.25 -4.62 0.00 0.00 176.95 172.74 3kxf n THR 223 N 5.11 -0.15 -4.36 5.86 -2.24 -1.26 -4.91 114.28 112.34 3kxf n THR 223 Ca -0.09 -4.03 -0.19 0.00 -2.27 0.00 0.00 64.05 57.47 3kxf n THR 223 Cb 0.50 -1.87 -0.10 0.00 -2.10 0.00 0.00 70.33 66.76 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 -0.76 1.55 0.11 -0.78 -1.52 -1.26 -5.08 119.66 111.91 3kxf s GLN 224 Ca 0.32 -1.87 -0.26 0.00 -1.95 0.00 0.00 55.36 51.61 3kxf s GLN 224 Cb 0.06 -0.30 -0.09 0.00 -0.22 0.00 0.00 33.01 32.45 3kxf s GLN 224 CO -0.16 -0.35 1.67 0.22 -0.25 0.00 0.00 175.29 176.42 3kxf h ASP 225 N 2.24 -0.49 -4.00 5.90 3.58 -2.07 -3.43 116.42 118.15 3kxf h ASP 225 Ca -0.37 0.06 -0.50 0.00 0.42 0.00 0.00 57.03 56.64 3kxf h ASP 225 Cb 1.25 0.19 0.05 0.00 1.72 0.00 0.00 39.33 42.54 3kxf h ASP 225 CO 0.58 -0.26 0.28 0.00 -2.88 0.00 0.00 179.24 176.96 3kxf s ARG 226 N -6.12 3.51 1.10 0.28 1.70 -1.26 -5.06 118.95 113.11 3kxf s ARG 226 Ca -0.15 0.47 -0.12 0.00 -0.47 0.00 0.00 55.73 55.46 3kxf s ARG 226 Cb 0.08 -2.21 0.25 0.00 -0.57 0.00 0.00 34.95 32.49 3kxf s ARG 226 CO 0.66 -0.44 1.06 0.00 -1.08 0.00 0.00 175.30 175.49 3kxf s ALA 227 N -2.99 -0.01 -0.33 7.88 0.00 -1.26 -4.93 121.76 120.11 3kxf s ALA 227 Ca 0.52 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3kxf s ALA 227 Cb -0.11 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3kxf s ALA 227 CO 0.50 -3.60 1.22 0.21 0.00 0.00 0.00 175.76 174.08 3kxf s LYS 228 N -4.49 3.92 -1.15 0.00 2.20 -1.26 -4.95 119.74 114.00 3kxf s LYS 228 Ca 0.68 1.09 -0.20 0.00 -0.36 0.00 0.00 55.97 57.19 3kxf s LYS 228 Cb -0.25 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 3kxf s LYS 228 CO 0.63 -1.11 1.95 -0.35 -0.36 0.00 0.00 175.35 176.11 3kxf n PRO 229 N 7.28 2.22 -2.37 4.03 -0.04 -1.26 -4.94 135.00 139.92 3kxf n PRO 229 Ca 0.14 -2.51 -0.24 0.00 -0.04 0.00 0.00 63.50 60.84 3kxf n PRO 229 Cb 0.47 -3.35 0.07 0.00 -0.04 0.00 0.00 33.50 30.65 3kxf n PRO 229 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kxf s VAL 230 N 6.03 2.35 -0.08 0.52 -7.23 -1.26 -1.88 120.40 118.85 3kxf s VAL 230 Ca 0.57 -0.42 -0.35 0.00 -1.81 0.00 0.00 61.98 59.97 3kxf s VAL 230 Cb 0.08 -2.93 -0.13 0.00 0.56 0.00 0.00 36.38 33.97 3kxf s VAL 230 CO 0.07 0.00 1.82 0.41 -0.31 0.00 0.00 175.10 177.09 3kxf n THR 231 N -2.79 0.48 -3.64 5.32 -1.04 -1.22 -4.40 114.28 106.98 3kxf n THR 231 Ca 0.10 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.92 3kxf n THR 231 Cb 0.60 -1.74 -0.03 0.00 -1.82 0.00 0.00 70.33 67.34 3kxf n THR 231 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kxf s GLN 232 N 3.61 1.34 -0.22 -2.82 -2.07 -0.91 -4.95 119.66 113.64 3kxf s GLN 232 Ca 0.92 -0.73 -0.05 0.00 -1.82 0.00 0.00 55.36 53.67 3kxf s GLN 232 Cb -0.74 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 31.70 3kxf s GLN 232 CO 0.52 -0.57 -0.00 0.42 -1.32 0.00 0.00 175.29 174.33 3kxf s ILE 233 N -3.83 3.81 -0.17 3.63 1.01 -1.26 -0.38 121.20 124.01 3kxf s ILE 233 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 3kxf s ILE 233 Cb -0.01 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3kxf s ILE 233 CO -0.06 0.41 0.03 -0.69 0.00 0.00 0.00 174.94 174.63 3kxf s VAL 234 N 1.28 4.52 0.26 2.92 1.01 -1.11 -5.00 120.40 124.28 3kxf s VAL 234 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3kxf s VAL 234 Cb -0.15 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 3kxf s VAL 234 CO 0.01 0.48 -0.04 -0.44 0.00 0.00 0.00 175.10 175.10 3kxf s SER 235 N 0.31 2.42 -0.21 3.32 0.01 -1.26 -2.20 113.70 116.09 3kxf s SER 235 Ca 0.01 -1.19 -0.14 0.00 1.31 0.00 0.00 55.95 55.94 3kxf s SER 235 Cb -0.13 -0.10 0.06 0.00 0.21 0.00 0.00 66.02 66.06 3kxf s SER 235 CO 0.01 -0.40 0.52 0.00 0.41 0.00 0.00 173.24 173.78 3kxf s ALA 236 N -3.16 -1.34 0.04 1.44 0.00 -0.52 -4.81 121.76 113.42 3kxf s ALA 236 Ca 0.29 1.74 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 3kxf s ALA 236 Cb 0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3kxf s ALA 236 CO 0.10 -0.29 -0.03 -1.83 0.00 0.00 0.00 175.76 173.71 3kxf s GLU 237 N 1.09 0.51 -0.24 0.00 -1.05 -1.26 -0.24 118.70 117.51 3kxf s GLU 237 Ca -0.07 -1.02 -0.11 0.00 -0.15 0.00 0.00 54.97 53.63 3kxf s GLU 237 Cb -0.06 0.17 0.09 0.00 -0.44 0.00 0.00 34.13 33.89 3kxf s GLU 237 CO -0.10 -0.09 0.55 0.00 0.95 0.00 0.00 175.26 176.57 3kxf s ALA 238 N -3.08 -1.58 0.45 -0.84 0.00 -0.61 -4.97 121.76 111.12 3kxf s ALA 238 Ca -0.01 1.99 -0.24 0.00 0.00 0.00 0.00 51.96 53.70 3kxf s ALA 238 Cb 0.02 -1.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.66 3kxf s ALA 238 CO -0.07 -0.61 1.27 -1.58 0.00 0.00 0.00 175.76 174.77 3kxf s TRP 239 N 2.21 2.75 -0.20 0.00 0.51 -1.26 -3.66 118.94 119.29 3kxf s TRP 239 Ca -0.07 1.45 -0.37 0.00 -2.12 0.00 0.00 56.10 54.99 3kxf s TRP 239 Cb -0.09 -3.60 -0.13 0.00 -0.81 0.00 0.00 33.47 28.84 3kxf s TRP 239 CO -0.16 -2.03 1.87 0.41 -0.51 0.00 0.00 176.95 176.53 3kxf n GLY 240 N 0.62 1.11 3.71 0.98 0.00 -0.57 -4.91 105.19 106.13 3kxf n GLY 240 Ca 0.06 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.56 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 4.18 4.50 -0.01 1.61 3.52 -1.19 -3.89 118.95 127.67 3kxf s ARG 241 Ca 0.97 1.52 -0.09 0.00 -0.13 0.00 0.00 55.73 58.00 3kxf s ARG 241 Cb -0.85 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.04 3kxf s ARG 241 CO 0.57 -0.15 0.63 0.00 -0.81 0.00 0.00 175.30 175.53 3kxf h ALA 242 N 6.87 -0.58 0.00 6.12 0.00 -1.86 -3.36 119.26 126.45 3kxf h ALA 242 Ca -0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kxf h ALA 242 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kxf h ALA 242 CO 0.78 -0.55 0.00 -0.25 0.00 0.00 0.00 179.25 179.23