#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc1 s ILE -4 N 0.00 3.00 -0.03 -0.61 1.09 -1.26 -5.10 121.20 118.30 2kc1 s ILE -4 Ca 0.00 -1.24 -0.16 0.00 -1.10 0.00 0.00 60.65 58.15 2kc1 s ILE -4 Cb 0.00 -2.66 -0.05 0.00 -1.06 0.00 0.00 42.46 38.69 2kc1 s ILE -4 CO 0.00 -0.00 0.45 -1.81 -0.10 0.00 0.00 174.94 173.47 2kc1 s ASP -3 N 1.29 6.80 -0.63 3.58 1.01 -1.26 -5.01 116.67 122.45 2kc1 s ASP -3 Ca -0.03 0.95 -0.26 0.00 0.71 0.00 0.00 52.55 53.92 2kc1 s ASP -3 Cb -0.19 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2kc1 s ASP -3 CO -0.02 0.22 1.91 -2.16 0.21 0.00 0.00 175.17 175.33 2kc1 s PRO -2 N -0.57 2.58 0.32 8.23 0.04 -1.26 -4.97 135.00 139.37 2kc1 s PRO -2 Ca 0.25 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 61.61 2kc1 s PRO -2 Cb -0.17 -4.45 -0.09 0.00 0.04 0.00 0.00 34.50 29.83 2kc1 s PRO -2 CO 0.13 -2.83 0.99 -0.59 0.04 0.00 0.00 177.00 174.74 2kc1 s PHE -1 N 9.39 3.64 0.65 0.56 -0.71 -1.26 -5.04 117.98 125.21 2kc1 s PHE -1 Ca 0.69 1.77 -0.11 0.00 -1.04 0.00 0.00 56.93 58.24 2kc1 s PHE -1 Cb -0.12 -3.03 0.16 0.00 -1.21 0.00 0.00 43.02 38.81 2kc1 s PHE -1 CO 0.19 -0.03 0.70 -2.37 -1.34 0.00 0.00 175.22 172.37 2kc1 n THR 0 N 0.69 0.00 -1.68 -4.49 5.66 -1.26 -4.87 114.28 108.34 2kc1 n THR 0 Ca 0.01 -0.41 -0.46 0.00 -3.05 0.00 0.00 64.05 60.15 2kc1 n THR 0 Cb 0.49 -1.39 -0.04 0.00 -1.55 0.00 0.00 70.33 67.84 2kc1 n THR 0 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2kc1 n MET 1 N -3.10 2.29 -4.18 1.09 1.56 -1.26 -2.27 117.12 111.25 2kc1 n MET 1 Ca 0.09 0.83 -0.35 0.00 -0.27 0.00 0.00 57.70 58.00 2kc1 n MET 1 Cb 0.34 -2.63 -0.05 0.00 2.15 0.00 0.00 33.22 33.03 2kc1 n MET 1 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 2kc1 n VAL 2 N 3.85 -1.97 -2.44 1.12 3.14 -1.26 -4.90 118.33 115.87 2kc1 n VAL 2 Ca 0.18 -0.55 -0.40 0.00 -2.96 0.00 0.00 64.34 60.60 2kc1 n VAL 2 Cb 0.30 -1.73 -0.04 0.00 -1.06 0.00 0.00 33.84 31.32 2kc1 n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kc1 s ALA 3 N -4.04 3.42 -0.56 1.55 0.00 -0.96 -4.46 121.76 116.71 2kc1 s ALA 3 Ca 0.17 0.93 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 2kc1 s ALA 3 Cb -0.09 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 19.77 2kc1 s ALA 3 CO 0.97 -0.21 0.67 -0.51 0.00 0.00 0.00 175.76 176.68 2kc1 s LEU 4 N -1.37 5.29 -0.55 0.00 1.43 0.74 -4.39 118.68 119.83 2kc1 s LEU 4 Ca 0.45 -1.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.08 2kc1 s LEU 4 Cb -0.33 -2.34 0.08 0.00 0.03 0.00 0.00 46.19 43.64 2kc1 s LEU 4 CO 0.42 -1.04 0.66 -0.44 0.23 0.00 0.00 176.35 176.18 2kc1 s SER 5 N 3.34 6.20 0.14 2.29 0.01 -1.26 0.37 113.70 124.79 2kc1 s SER 5 Ca 0.12 -1.22 0.05 0.00 1.31 0.00 0.00 55.95 56.21 2kc1 s SER 5 Cb -0.23 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2kc1 s SER 5 CO 0.08 -1.00 0.12 -0.76 0.41 0.00 0.00 173.24 172.08 2kc1 s LEU 6 N 2.62 3.80 -0.53 2.44 1.02 -0.70 -0.01 118.68 127.31 2kc1 s LEU 6 Ca 0.13 -0.10 -0.20 0.00 0.02 0.00 0.00 54.13 53.97 2kc1 s LEU 6 Cb -0.22 -2.43 0.06 0.00 0.02 0.00 0.00 46.19 43.62 2kc1 s LEU 6 CO 0.09 0.09 0.73 -0.54 0.02 0.00 0.00 176.35 176.74 2kc1 s LYS 7 N -2.92 3.16 -0.40 1.70 1.02 0.16 -0.99 119.74 121.46 2kc1 s LYS 7 Ca 0.30 -0.78 -0.15 0.00 0.02 0.00 0.00 55.97 55.37 2kc1 s LYS 7 Cb -0.11 -4.11 0.02 0.00 -0.52 0.00 0.00 37.83 33.11 2kc1 s LYS 7 CO 0.23 -1.35 0.32 0.42 -0.92 0.00 0.00 175.35 174.05 2kc1 s ILE 8 N 3.04 5.23 -0.67 2.17 -1.09 0.19 -0.90 121.20 129.17 2kc1 s ILE 8 Ca 0.19 -0.55 -0.25 0.00 -2.23 0.00 0.00 60.65 57.81 2kc1 s ILE 8 Cb -0.18 -3.93 0.05 0.00 -1.58 0.00 0.00 42.46 36.82 2kc1 s ILE 8 CO 0.13 -0.30 1.12 -0.55 -1.23 0.00 0.00 174.94 174.11 2kc1 s SER 9 N 1.71 6.21 -0.80 3.58 0.15 0.16 0.03 113.70 124.74 2kc1 s SER 9 Ca 0.07 -0.59 -0.23 0.00 0.70 0.00 0.00 55.95 55.90 2kc1 s SER 9 Cb -0.18 -2.49 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 2kc1 s SER 9 CO 0.11 -1.59 1.15 -0.63 1.20 0.00 0.00 173.24 173.48 2kc1 s ILE 10 N 4.85 4.20 0.00 6.45 1.01 0.10 -1.53 121.20 136.28 2kc1 s ILE 10 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2kc1 s ILE 10 Cb -0.12 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.53 2kc1 s ILE 10 CO 0.15 -1.64 0.00 0.61 0.00 0.00 0.00 174.94 174.05 2kc1 n GLY 11 N 5.65 2.02 0.04 6.18 0.00 -1.14 -2.18 105.19 115.77 2kc1 n GLY 11 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2kc1 n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kc1 n ASN 12 N 4.05 0.00 -4.14 1.61 0.23 -1.26 -5.07 115.26 110.68 2kc1 n ASN 12 Ca 0.00 -1.05 -0.33 0.00 -0.53 0.00 0.00 54.58 52.66 2kc1 n ASN 12 Cb 0.00 -0.01 -0.16 0.00 -2.08 0.00 0.00 39.78 37.53 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2kc1 s VAL 13 N 0.00 2.24 -0.28 3.53 1.01 -0.93 -5.09 120.40 120.89 2kc1 s VAL 13 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 2kc1 s VAL 13 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2kc1 s VAL 13 CO 0.00 0.44 0.89 -0.69 0.00 0.00 0.00 175.10 175.74 2kc1 s VAL 14 N 1.29 4.74 -0.15 2.92 1.01 -1.26 0.00 120.40 128.94 2kc1 s VAL 14 Ca 0.03 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.55 2kc1 s VAL 14 Cb -0.14 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.05 2kc1 s VAL 14 CO -0.11 -0.22 -0.18 -0.54 0.00 0.00 0.00 175.10 174.06 2kc1 s LYS 15 N 3.08 2.65 -0.14 2.72 -0.14 0.10 -4.89 119.74 123.12 2kc1 s LYS 15 Ca 0.37 -0.70 -0.26 0.00 -1.36 0.00 0.00 55.97 54.02 2kc1 s LYS 15 Cb -0.14 -2.29 -0.02 0.00 -1.68 0.00 0.00 37.83 33.70 2kc1 s LYS 15 CO 0.10 -0.16 0.84 0.99 -0.76 0.00 0.00 175.35 176.36 2kc1 s THR 16 N 1.23 4.89 0.14 2.17 2.01 -1.26 0.56 115.64 125.38 2kc1 s THR 16 Ca 0.01 1.68 0.06 0.00 0.31 0.00 0.00 61.69 63.75 2kc1 s THR 16 Cb -0.14 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2kc1 s THR 16 CO -0.09 0.06 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.46 2kc1 s MET 17 N 1.87 1.08 -0.45 4.92 1.75 -0.16 -4.96 119.30 123.34 2kc1 s MET 17 Ca 0.40 -1.36 -0.15 0.00 -1.25 0.00 0.00 55.69 53.34 2kc1 s MET 17 Cb -0.17 -0.84 0.06 0.00 2.84 0.00 0.00 34.83 36.72 2kc1 s MET 17 CO 0.15 0.14 0.36 -0.65 -0.65 0.00 0.00 175.02 174.37 2kc1 s GLN 18 N -3.16 2.94 0.54 4.11 -0.21 -1.26 -1.73 119.66 120.90 2kc1 s GLN 18 Ca 0.13 -1.29 0.07 0.00 0.02 0.00 0.00 55.36 54.30 2kc1 s GLN 18 Cb -0.02 -4.06 0.05 0.00 1.00 0.00 0.00 33.01 29.98 2kc1 s GLN 18 CO 0.03 -0.96 0.54 -0.06 -2.12 0.00 0.00 175.29 172.72 2kc1 s PHE 19 N 1.63 1.66 0.16 0.91 0.08 0.16 -4.93 117.98 117.65 2kc1 s PHE 19 Ca 0.04 -0.76 0.09 0.00 0.12 0.00 0.00 56.93 56.42 2kc1 s PHE 19 Cb -0.23 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 2kc1 s PHE 19 CO 0.07 -0.68 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.11 2kc1 s GLU 20 N -4.40 1.29 0.28 0.44 2.02 -1.26 -0.18 118.70 116.89 2kc1 s GLU 20 Ca 0.45 -1.40 0.02 0.00 0.02 0.00 0.00 54.97 54.06 2kc1 s GLU 20 Cb -0.04 -1.38 0.59 0.00 0.10 0.00 0.00 34.13 33.40 2kc1 s GLU 20 CO 0.28 0.28 1.82 -1.35 0.02 0.00 0.00 175.26 176.31 2kc1 h PRO 21 N 3.29 0.89 -0.02 0.39 0.11 -1.91 -0.52 132.00 134.22 2kc1 h PRO 21 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kc1 h PRO 21 Cb 1.20 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2kc1 h PRO 21 CO 0.50 0.59 0.00 0.45 -0.21 0.00 0.00 178.00 179.33 2kc1 n SER 22 N -4.67 0.29 -4.66 -2.05 2.88 -1.26 -2.17 113.62 101.97 2kc1 n SER 22 Ca 0.20 -1.38 -0.43 0.00 -1.33 0.00 0.00 58.87 55.93 2kc1 n SER 22 Cb 0.40 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 2kc1 n SER 22 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kc1 s THR 23 N -1.97 4.49 0.59 2.46 2.01 -0.21 -4.88 115.64 118.12 2kc1 s THR 23 Ca 0.33 1.79 -0.12 0.00 0.31 0.00 0.00 61.69 64.01 2kc1 s THR 23 Cb 0.16 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2kc1 s THR 23 CO 0.26 -0.14 1.00 0.00 -0.69 0.00 0.00 174.62 175.05 2kc1 s MET 24 N 3.21 3.66 0.17 4.92 0.23 -1.26 -0.20 119.30 130.03 2kc1 s MET 24 Ca 0.50 0.75 -0.14 0.00 -1.03 0.00 0.00 55.69 55.76 2kc1 s MET 24 Cb -0.19 -2.11 0.11 0.00 -1.53 0.00 0.00 34.83 31.11 2kc1 s MET 24 CO 0.11 -0.48 1.77 0.28 -2.03 0.00 0.00 175.02 174.67 2kc1 h VAL 25 N -0.04 0.92 0.00 5.16 2.07 -0.53 0.56 116.25 124.38 2kc1 h VAL 25 Ca -0.45 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2kc1 h VAL 25 Cb 1.19 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2kc1 h VAL 25 CO 0.62 0.07 -0.16 0.10 0.02 0.00 0.00 177.57 178.22 2kc1 h TYR 26 N 0.39 0.00 0.13 1.57 -0.00 -1.81 0.04 116.97 117.30 2kc1 h TYR 26 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.64 2kc1 h TYR 26 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.88 2kc1 h TYR 26 CO -0.12 0.16 -1.35 0.22 -0.00 0.00 0.00 178.16 177.07 2kc1 h ASP 27 N 0.00 0.44 -0.92 0.10 3.58 -1.42 -2.01 116.42 116.19 2kc1 h ASP 27 Ca -0.00 -0.50 0.02 0.00 0.42 0.00 0.00 57.03 56.97 2kc1 h ASP 27 Cb 0.54 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 2kc1 h ASP 27 CO 0.02 1.40 0.60 0.00 -2.88 0.00 0.00 179.24 178.39 2kc1 h ALA 28 N 0.53 1.19 -0.53 -0.78 0.00 0.75 0.33 119.26 120.75 2kc1 h ALA 28 Ca -0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kc1 h ALA 28 Cb 2.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2kc1 h ALA 28 CO 0.19 0.51 0.11 0.00 0.00 0.00 0.00 179.25 180.07 2kc1 h ARG 30 N 0.79 1.16 -0.65 0.00 2.43 -0.44 -1.80 114.38 115.86 2kc1 h ARG 30 Ca 0.17 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2kc1 h ARG 30 Cb 0.32 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2kc1 h ARG 30 CO 0.00 0.91 0.10 0.52 -1.51 0.00 0.00 179.97 179.98 2kc1 h MET 31 N 1.14 1.07 -0.22 0.20 2.86 0.20 -1.18 114.93 119.00 2kc1 h MET 31 Ca 0.27 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2kc1 h MET 31 Cb 0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2kc1 h MET 31 CO -0.03 0.99 0.12 0.82 1.06 0.00 0.00 176.91 179.87 2kc1 h ILE 32 N 1.00 1.11 0.00 -1.22 1.08 -0.76 0.08 117.51 118.80 2kc1 h ILE 32 Ca 0.20 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 64.25 2kc1 h ILE 32 Cb 0.44 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2kc1 h ILE 32 CO 0.01 0.11 -0.55 0.08 -0.69 0.00 0.00 178.15 177.11 2kc1 h ARG 33 N 0.25 0.00 0.03 2.37 0.11 -1.22 0.17 114.38 116.10 2kc1 h ARG 33 Ca 0.08 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.93 2kc1 h ARG 33 Cb 0.07 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 2kc1 h ARG 33 CO -0.01 0.55 -1.11 1.05 0.10 0.00 0.00 179.97 180.55 2kc1 h GLU 34 N 0.00 0.07 0.03 0.08 4.11 -1.07 -3.36 114.58 114.44 2kc1 h GLU 34 Ca -0.01 -0.12 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 2kc1 h GLU 34 Cb 1.01 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kc1 h GLU 34 CO 0.07 1.03 -0.53 -0.09 0.07 0.00 0.00 179.01 179.56 2kc1 h ARG 35 N 0.02 0.07 -5.03 1.06 9.65 -0.83 -3.45 114.38 115.87 2kc1 h ARG 35 Ca -0.06 -0.13 -0.66 0.00 -1.10 0.00 0.00 59.98 58.03 2kc1 h ARG 35 Cb 1.84 0.05 -0.32 0.00 -1.39 0.00 0.00 29.97 30.15 2kc1 h ARG 35 CO 0.15 1.06 -0.80 0.42 2.80 0.00 0.00 179.97 183.60 2kc1 s ILE 36 N -2.31 2.65 -0.34 1.20 1.01 0.60 -4.98 121.20 119.03 2kc1 s ILE 36 Ca -0.20 -0.75 0.27 0.00 0.00 0.00 0.00 60.65 59.96 2kc1 s ILE 36 Cb 0.00 -2.17 0.33 0.00 0.01 0.00 0.00 42.46 40.64 2kc1 s ILE 36 CO 0.70 0.48 1.77 1.55 0.00 0.00 0.00 174.94 179.43 2kc1 h PRO 37 N 8.02 0.00 -0.18 2.79 0.13 -1.82 -3.26 132.00 137.67 2kc1 h PRO 37 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2kc1 h PRO 37 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2kc1 h PRO 37 CO 0.62 0.00 -0.15 1.49 -0.23 0.00 0.00 178.00 179.73 2kc1 h GLU 38 N 0.00 0.30 0.00 0.86 4.81 -1.92 -2.26 114.58 116.37 2kc1 h GLU 38 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2kc1 h GLU 38 Cb 0.72 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2kc1 h GLU 38 CO 0.00 0.46 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 2kc1 n ALA 39 N -2.49 2.00 -2.00 2.92 0.00 -1.23 -4.71 120.51 115.00 2kc1 n ALA 39 Ca -0.00 0.01 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 2kc1 n ALA 39 Cb 0.30 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 2kc1 n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kc1 s LEU 40 N -4.32 3.33 0.00 0.00 2.01 -0.85 -4.58 118.68 114.27 2kc1 s LEU 40 Ca 0.08 0.51 0.00 0.00 0.01 0.00 0.00 54.13 54.73 2kc1 s LEU 40 Cb 0.11 -2.65 0.00 0.00 0.01 0.00 0.00 46.19 43.66 2kc1 s LEU 40 CO 0.49 -2.33 0.75 0.00 1.01 0.00 0.00 176.35 176.27 2kc1 n ALA 41 N 12.69 1.65 0.00 4.21 0.00 -1.26 -5.12 120.51 132.68 2kc1 n ALA 41 Ca 0.22 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2kc1 n ALA 41 Cb 0.52 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2kc1 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kc1 n GLY 42 N 0.00 -1.75 3.81 0.00 0.00 -1.26 -5.13 105.19 100.85 2kc1 n GLY 42 Ca 0.00 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 2kc1 n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kc1 s PRO 43 N -1.78 3.96 0.53 1.61 0.02 -1.26 -4.95 135.00 133.12 2kc1 s PRO 43 Ca 0.00 1.26 0.29 0.00 0.02 0.00 0.00 61.00 62.57 2kc1 s PRO 43 Cb 0.00 -2.13 1.46 0.00 0.02 0.00 0.00 34.50 33.86 2kc1 s PRO 43 CO 0.00 -0.28 2.06 -1.00 -0.33 0.00 0.00 177.00 177.45 2kc1 h PRO 44 N 1.67 0.00 0.00 5.54 0.13 -1.94 -1.09 132.00 136.30 2kc1 h PRO 44 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kc1 h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kc1 h PRO 44 CO 0.60 0.11 -0.16 -0.97 -0.23 0.00 0.00 178.00 177.35 2kc1 h ASN 45 N 0.00 0.00 1.59 1.44 -1.24 -1.95 -2.83 115.58 112.59 2kc1 h ASN 45 Ca -0.00 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 2kc1 h ASN 45 Cb 0.36 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2kc1 h ASN 45 CO 0.01 0.01 -0.42 0.44 -1.29 0.00 0.00 177.43 176.19 2kc1 h ASP 46 N 0.00 0.00 -3.02 1.15 5.19 -1.58 -3.45 116.42 114.70 2kc1 h ASP 46 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kc1 h ASP 46 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 2kc1 h ASP 46 CO 0.00 0.15 0.00 0.49 -3.12 0.00 0.00 179.24 176.76 2kc1 n PHE 47 N -3.02 -2.68 -3.63 4.55 3.01 -1.07 -2.84 117.46 111.78 2kc1 n PHE 47 Ca 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 2kc1 n PHE 47 Cb 0.60 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.06 2kc1 n PHE 47 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2kc1 s GLY 48 N -2.06 -0.37 -0.19 1.37 0.00 0.61 -4.33 107.32 102.36 2kc1 s GLY 48 Ca 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 44.72 45.49 2kc1 s GLY 48 CO 0.00 0.22 0.12 1.08 0.00 0.00 0.00 173.10 174.52 2kc1 s LEU 49 N -2.76 4.17 -0.24 0.66 1.43 -1.26 -1.71 118.68 118.97 2kc1 s LEU 49 Ca 0.12 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2kc1 s LEU 49 Cb 0.02 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.23 2kc1 s LEU 49 CO -0.04 0.21 -0.13 0.12 0.23 0.00 0.00 176.35 176.75 2kc1 s PHE 50 N 0.17 3.16 -0.53 0.29 5.36 -0.31 -2.06 117.98 124.06 2kc1 s PHE 50 Ca 0.08 -2.15 -0.28 0.00 -0.96 0.00 0.00 56.93 53.63 2kc1 s PHE 50 Cb -0.11 -1.94 -0.00 0.00 -0.34 0.00 0.00 43.02 40.63 2kc1 s PHE 50 CO -0.01 -0.86 1.60 -1.17 -1.46 0.00 0.00 175.22 173.32 2kc1 s LEU 51 N 1.15 3.40 0.50 6.12 2.96 0.33 0.43 118.68 133.57 2kc1 s LEU 51 Ca -0.06 0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 54.28 2kc1 s LEU 51 Cb -0.18 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 2kc1 s LEU 51 CO -0.07 -1.87 0.83 -0.94 -1.32 0.00 0.00 176.35 172.98 2kc1 s SER 52 N 5.63 6.27 0.21 3.68 1.04 -1.18 -2.04 113.70 127.32 2kc1 s SER 52 Ca 0.61 1.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.96 2kc1 s SER 52 Cb -0.13 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 2kc1 s SER 52 CO 0.26 -0.62 0.37 -0.62 0.98 0.00 0.00 173.24 173.61 2kc1 s ASP 53 N -4.06 -0.03 0.51 7.02 2.15 -1.26 -4.83 116.67 116.17 2kc1 s ASP 53 Ca 0.49 -0.91 0.26 0.00 0.43 0.00 0.00 52.55 52.81 2kc1 s ASP 53 Cb -0.10 0.51 1.38 0.00 -0.30 0.00 0.00 42.92 44.41 2kc1 s ASP 53 CO 0.46 -1.01 2.05 -2.24 -0.17 0.00 0.00 175.17 174.26 2kc1 h ASP 54 N 2.40 0.00 -3.61 -0.34 3.04 -1.99 -3.37 116.42 112.55 2kc1 h ASP 54 Ca -0.29 0.00 -0.68 0.00 -3.24 0.00 0.00 57.03 52.82 2kc1 h ASP 54 Cb 1.24 0.00 -0.25 0.00 -1.04 0.00 0.00 39.33 39.28 2kc1 h ASP 54 CO 0.42 0.13 -0.61 -0.62 -2.04 0.00 0.00 179.24 176.53 2kc1 s ASP 55 N -6.25 5.23 0.64 4.15 2.15 -1.26 -4.98 116.67 116.34 2kc1 s ASP 55 Ca -0.03 -0.66 0.42 0.00 0.43 0.00 0.00 52.55 52.71 2kc1 s ASP 55 Cb 0.13 -1.91 2.19 0.00 -0.30 0.00 0.00 42.92 43.04 2kc1 s ASP 55 CO 0.60 -0.19 2.29 1.55 -0.17 0.00 0.00 175.17 179.25 2kc1 h PRO 56 N 8.26 0.00 0.00 4.34 0.13 -1.96 -0.99 132.00 141.78 2kc1 h PRO 56 Ca -0.32 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2kc1 h PRO 56 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2kc1 h PRO 56 CO 0.61 0.00 -0.39 -0.22 -0.23 0.00 0.00 178.00 177.77 2kc1 h LYS 57 N 0.00 0.00 -0.00 0.86 1.63 -1.93 -1.41 116.57 115.71 2kc1 h LYS 57 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kc1 h LYS 57 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2kc1 h LYS 57 CO 0.00 0.39 -0.23 1.63 -3.45 0.00 0.00 179.45 177.79 2kc1 n LYS 58 N -3.87 0.51 -2.42 1.90 5.02 -0.38 -4.82 118.16 114.10 2kc1 n LYS 58 Ca -0.01 -0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 2kc1 n LYS 58 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 2kc1 n LYS 58 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2kc1 s GLY 59 N -2.65 1.98 0.05 0.72 0.00 -0.53 -4.81 107.32 102.07 2kc1 s GLY 59 Ca 0.22 0.63 0.05 0.00 0.00 0.00 0.00 44.72 45.62 2kc1 s GLY 59 CO 0.54 2.32 -0.16 -0.26 0.00 0.00 0.00 173.10 175.54 2kc1 s ILE 60 N 2.50 1.23 -0.08 0.90 -4.36 -0.87 -4.94 121.20 115.60 2kc1 s ILE 60 Ca 0.57 -1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 59.53 2kc1 s ILE 60 Cb -0.25 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.32 2kc1 s ILE 60 CO 0.21 -0.02 1.01 0.26 0.24 0.00 0.00 174.94 176.64 2kc1 s TRP 61 N -0.96 3.54 0.11 1.37 0.52 -1.26 -0.52 118.94 121.75 2kc1 s TRP 61 Ca 0.02 1.61 -0.29 0.00 0.02 0.00 0.00 56.10 57.46 2kc1 s TRP 61 Cb -0.09 -3.18 -0.06 0.00 -1.15 0.00 0.00 33.47 28.99 2kc1 s TRP 61 CO 0.02 -0.21 0.91 -0.51 0.02 0.00 0.00 176.95 177.18 2kc1 s LEU 62 N 1.75 4.51 0.04 2.99 1.02 -0.87 -4.97 118.68 123.15 2kc1 s LEU 62 Ca 0.50 1.73 -0.31 0.00 0.02 0.00 0.00 54.13 56.07 2kc1 s LEU 62 Cb -0.19 -3.50 -0.07 0.00 0.02 0.00 0.00 46.19 42.45 2kc1 s LEU 62 CO 0.21 -0.01 1.42 -1.61 0.02 0.00 0.00 176.35 176.37 2kc1 s GLU 63 N -0.19 4.29 0.38 1.70 2.02 -1.26 -4.74 118.70 120.91 2kc1 s GLU 63 Ca 0.44 2.03 0.12 0.00 0.02 0.00 0.00 54.97 57.58 2kc1 s GLU 63 Cb -0.23 -3.47 0.91 0.00 0.10 0.00 0.00 34.13 31.45 2kc1 s GLU 63 CO 0.28 -0.54 1.88 0.00 0.02 0.00 0.00 175.26 176.91 2kc1 h ALA 64 N 7.53 1.95 0.00 5.21 0.00 -1.95 -0.69 119.26 131.32 2kc1 h ALA 64 Ca -0.40 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kc1 h ALA 64 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kc1 h ALA 64 CO 0.89 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2kc1 n GLY 65 N -1.47 -1.27 3.91 0.00 0.00 -1.26 -2.50 105.19 102.61 2kc1 n GLY 65 Ca 0.17 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2kc1 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc1 s LYS 66 N -2.82 3.61 0.39 1.61 -0.14 -0.26 -4.89 119.74 117.23 2kc1 s LYS 66 Ca 0.17 -0.06 -0.01 0.00 -1.36 0.00 0.00 55.97 54.71 2kc1 s LYS 66 Cb 0.17 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 2kc1 s LYS 66 CO 0.43 0.26 0.62 0.00 -0.76 0.00 0.00 175.35 175.89 2kc1 s ALA 67 N -2.03 3.64 0.39 5.17 0.00 -1.26 -0.59 121.76 127.09 2kc1 s ALA 67 Ca 0.43 -0.84 0.17 0.00 0.00 0.00 0.00 51.96 51.72 2kc1 s ALA 67 Cb -0.11 -2.22 0.99 0.00 0.00 0.00 0.00 23.12 21.79 2kc1 s ALA 67 CO 0.29 -0.14 1.94 -0.07 0.00 0.00 0.00 175.76 177.78 2kc1 h LEU 68 N 0.59 0.00 -1.65 0.00 3.38 -0.66 -1.72 115.31 115.25 2kc1 h LEU 68 Ca -0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2kc1 h LEU 68 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2kc1 h LEU 68 CO 0.61 0.25 -0.19 -0.78 0.09 0.00 0.00 178.44 178.41 2kc1 h ASP 69 N 0.00 0.00 -0.96 -0.43 3.58 -1.68 -2.48 116.42 114.45 2kc1 h ASP 69 Ca -0.00 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.48 2kc1 h ASP 69 Cb 0.48 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 2kc1 h ASP 69 CO 0.03 0.19 0.63 0.22 -2.88 0.00 0.00 179.24 177.43 2kc1 h TYR 70 N 0.00 1.17 -0.33 0.28 5.03 -1.58 -1.85 116.97 119.70 2kc1 h TYR 70 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2kc1 h TYR 70 Cb 0.37 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.26 2kc1 h TYR 70 CO 0.00 0.68 0.00 0.66 -1.32 0.00 0.00 178.16 178.18 2kc1 n TYR 71 N -4.47 0.43 -3.34 -3.82 4.02 -0.97 -4.90 117.16 104.11 2kc1 n TYR 71 Ca 0.13 -0.22 -0.23 0.00 -0.01 0.00 0.00 57.90 57.57 2kc1 n TYR 71 Cb 0.09 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.47 2kc1 n TYR 71 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kc1 n MET 72 N 0.61 -6.49 -2.84 -0.72 2.81 -0.70 -4.97 117.12 104.83 2kc1 n MET 72 Ca 0.15 0.86 -0.39 0.00 -1.81 0.00 0.00 57.70 56.51 2kc1 n MET 72 Cb 0.35 -5.83 -0.06 0.00 -0.71 0.00 0.00 33.22 26.97 2kc1 n MET 72 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kc1 s LEU 73 N -7.03 4.53 0.00 4.03 1.43 -0.99 -5.05 118.68 115.60 2kc1 s LEU 73 Ca 0.46 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 2kc1 s LEU 73 Cb -0.20 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 2kc1 s LEU 73 CO 0.57 0.10 0.14 0.54 0.23 0.00 0.00 176.35 177.93 2kc1 n ARG 74 N 1.19 0.20 -2.15 1.70 1.74 -1.26 -4.71 116.66 113.37 2kc1 n ARG 74 Ca -0.02 -1.58 -0.43 0.00 -0.77 0.00 0.00 57.85 55.06 2kc1 n ARG 74 Cb 0.49 1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 33.21 2kc1 n ARG 74 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kc1 s ASN 75 N -2.11 6.70 0.00 0.55 2.20 -1.26 -2.48 114.94 118.55 2kc1 s ASN 75 Ca 0.19 1.96 0.00 0.00 -0.94 0.00 0.00 52.86 54.07 2kc1 s ASN 75 Cb 0.01 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.72 2kc1 s ASN 75 CO 0.13 -0.93 0.00 0.61 -2.94 0.00 0.00 177.10 173.97 2kc1 n GLY 76 N 4.06 1.32 3.82 0.45 0.00 0.98 -4.87 105.19 110.96 2kc1 n GLY 76 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2kc1 n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc1 s ASP 77 N -1.97 5.33 -0.08 1.61 1.01 -1.03 -4.77 116.67 116.77 2kc1 s ASP 77 Ca 0.00 1.64 0.04 0.00 0.71 0.00 0.00 52.55 54.94 2kc1 s ASP 77 Cb 0.00 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.43 2kc1 s ASP 77 CO 0.00 -1.48 -0.19 -0.89 0.21 0.00 0.00 175.17 172.82 2kc1 s THR 78 N -3.01 1.66 0.11 -1.27 2.01 -1.26 0.36 115.64 114.24 2kc1 s THR 78 Ca 0.58 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.82 2kc1 s THR 78 Cb -0.14 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2kc1 s THR 78 CO 0.54 0.47 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.80 2kc1 s MET 79 N 0.38 0.89 -0.33 4.92 -1.94 -0.08 -3.08 119.30 120.05 2kc1 s MET 79 Ca -0.15 -1.22 -0.06 0.00 -1.71 0.00 0.00 55.69 52.56 2kc1 s MET 79 Cb -0.16 -0.55 0.04 0.00 2.01 0.00 0.00 34.83 36.17 2kc1 s MET 79 CO 0.06 0.08 0.09 -1.21 -0.01 0.00 0.00 175.02 174.03 2kc1 s GLU 80 N -2.98 2.58 -0.59 2.03 2.02 0.17 0.36 118.70 122.29 2kc1 s GLU 80 Ca 0.08 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.58 2kc1 s GLU 80 Cb -0.02 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.81 2kc1 s GLU 80 CO 0.00 -0.67 1.41 -0.47 0.02 0.00 0.00 175.26 175.55 2kc1 s TYR 81 N 1.37 2.27 0.09 1.61 5.04 -0.58 -1.16 117.35 125.99 2kc1 s TYR 81 Ca -0.02 0.41 -0.04 0.00 -2.44 0.00 0.00 57.07 54.98 2kc1 s TYR 81 Cb -0.20 -4.42 -0.03 0.00 0.35 0.00 0.00 41.96 37.67 2kc1 s TYR 81 CO 0.02 -1.99 0.09 -0.98 -1.34 0.00 0.00 175.55 171.35 2kc1 s ARG 82 N 5.60 0.82 -0.07 4.97 1.70 -0.69 -2.87 118.95 128.40 2kc1 s ARG 82 Ca 0.50 -1.20 -0.30 0.00 -0.47 0.00 0.00 55.73 54.26 2kc1 s ARG 82 Cb -0.10 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2kc1 s ARG 82 CO 0.23 -0.23 1.23 0.21 -1.08 0.00 0.00 175.30 175.67 2kc1 s LYS 83 N -3.94 4.32 0.17 3.89 2.20 -1.26 -0.28 119.74 124.83 2kc1 s LYS 83 Ca 0.12 1.70 -0.31 0.00 -0.36 0.00 0.00 55.97 57.12 2kc1 s LYS 83 Cb 0.06 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 2kc1 s LYS 83 CO -0.06 -0.51 1.39 -1.59 -0.36 0.00 0.00 175.35 174.22 2kc1 s LYS 84 N 2.50 4.32 0.00 4.03 -2.85 -1.13 -4.87 119.74 121.74 2kc1 s LYS 84 Ca 0.56 2.14 0.26 0.00 -1.00 0.00 0.00 55.97 57.93 2kc1 s LYS 84 Cb -0.25 -3.20 0.53 0.00 -2.06 0.00 0.00 37.83 32.85 2kc1 s LYS 84 CO 0.21 -0.40 1.45 1.04 0.10 0.00 0.00 175.35 177.75