#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 5.13 -0.45 -0.61 -1.09 -1.26 -5.04 121.20 117.88 2kc1 s ILE -4 Ca 0.00 0.40 -0.21 0.00 -2.23 0.00 0.00 60.65 58.61 2kc1 s ILE -4 Cb 0.00 -3.80 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 2kc1 s ILE -4 CO 0.00 0.01 0.66 1.51 -1.23 0.00 0.00 174.94 175.88 2kc1 s ASP -3 N 1.69 6.31 -0.06 3.58 -4.77 -1.26 -4.91 116.67 117.25 2kc1 s ASP -3 Ca 0.15 -0.41 0.06 0.00 -3.30 0.00 0.00 52.55 49.05 2kc1 s ASP -3 Cb -0.16 -2.32 -0.24 0.00 -1.09 0.00 0.00 42.92 39.11 2kc1 s ASP -3 CO 0.11 -0.82 0.61 1.55 0.70 0.00 0.00 175.17 177.32 2kc1 h PRO -2 N 8.91 0.09 0.00 2.11 0.14 -1.99 -3.51 132.00 137.75 2kc1 h PRO -2 Ca -0.26 -0.16 0.25 0.00 0.14 0.00 0.00 66.00 65.98 2kc1 h PRO -2 Cb 1.09 0.06 -0.06 0.00 0.14 0.00 0.00 31.00 32.23 2kc1 h PRO -2 CO 0.91 0.75 -0.34 1.19 0.14 0.00 0.00 178.00 180.65 2kc1 n PHE -1 N -3.20 -3.03 -3.27 1.56 3.72 -1.26 -4.47 117.46 107.51 2kc1 n PHE -1 Ca -0.21 1.16 -0.46 0.00 -0.05 0.00 0.00 57.45 57.89 2kc1 n PHE -1 Cb 1.05 -2.08 -0.02 0.00 -0.94 0.00 0.00 39.48 37.49 2kc1 n PHE -1 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2kc1 s THR 0 N -1.52 5.54 0.00 4.37 2.01 -1.26 -4.98 115.64 119.81 2kc1 s THR 0 Ca 0.00 -2.48 0.00 0.00 0.31 0.00 0.00 61.69 59.52 2kc1 s THR 0 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.97 2kc1 s THR 0 CO 0.00 -1.12 0.00 0.23 -0.69 0.00 0.00 174.62 173.04 2kc1 n MET 1 N 4.18 0.00 -2.72 4.92 2.81 -1.26 -4.13 117.12 120.92 2kc1 n MET 1 Ca 0.17 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 2kc1 n MET 1 Cb 0.46 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.94 2kc1 n MET 1 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kc1 s VAL 2 N 0.00 4.10 0.04 2.03 0.11 -1.26 -4.97 120.40 120.44 2kc1 s VAL 2 Ca 0.00 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2kc1 s VAL 2 Cb 0.00 -4.83 -0.02 0.00 -1.53 0.00 0.00 36.38 30.00 2kc1 s VAL 2 CO 0.00 -1.67 -0.08 0.00 -3.33 0.00 0.00 175.10 170.02 2kc1 s ALA 3 N 4.63 0.61 -0.43 1.54 0.00 -1.26 -4.31 121.76 122.55 2kc1 s ALA 3 Ca 0.31 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 2kc1 s ALA 3 Cb -0.10 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2kc1 s ALA 3 CO 0.07 0.01 0.91 -0.51 0.00 0.00 0.00 175.76 176.25 2kc1 s LEU 4 N -1.44 4.02 -0.65 0.00 1.43 0.29 -4.75 118.68 117.58 2kc1 s LEU 4 Ca -0.08 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 2kc1 s LEU 4 Cb -0.09 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 42.97 2kc1 s LEU 4 CO 0.00 -0.98 1.21 -0.44 0.23 0.00 0.00 176.35 176.37 2kc1 s SER 5 N 2.14 6.31 0.29 2.29 0.01 -1.26 -0.58 113.70 122.90 2kc1 s SER 5 Ca 0.37 -0.20 0.10 0.00 1.31 0.00 0.00 55.95 57.53 2kc1 s SER 5 Cb -0.11 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2kc1 s SER 5 CO 0.24 -1.62 -0.15 -0.76 0.41 0.00 0.00 173.24 171.36 2kc1 s LEU 6 N 5.19 2.61 -0.34 2.44 1.02 -0.35 -0.18 118.68 129.07 2kc1 s LEU 6 Ca 0.38 -1.09 -0.13 0.00 0.02 0.00 0.00 54.13 53.31 2kc1 s LEU 6 Cb -0.08 -0.98 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 2kc1 s LEU 6 CO 0.20 -0.08 0.26 -0.54 0.02 0.00 0.00 176.35 176.21 2kc1 s LYS 7 N -3.57 3.52 -0.38 1.70 1.02 0.83 -1.53 119.74 121.33 2kc1 s LYS 7 Ca 0.30 -0.59 -0.13 0.00 0.02 0.00 0.00 55.97 55.57 2kc1 s LYS 7 Cb -0.02 -3.80 0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2kc1 s LYS 7 CO 0.14 -0.45 0.24 0.42 -0.92 0.00 0.00 175.35 174.78 2kc1 s ILE 8 N 1.78 4.93 -0.46 2.17 -1.09 0.19 -0.70 121.20 128.02 2kc1 s ILE 8 Ca 0.07 -0.66 -0.18 0.00 -2.23 0.00 0.00 60.65 57.66 2kc1 s ILE 8 Cb -0.17 -3.70 0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2kc1 s ILE 8 CO 0.11 -0.20 0.50 -0.55 -1.23 0.00 0.00 174.94 173.57 2kc1 s SER 9 N 1.63 6.21 -0.82 3.58 0.15 -0.01 0.16 113.70 124.59 2kc1 s SER 9 Ca 0.04 -0.82 -0.25 0.00 0.70 0.00 0.00 55.95 55.61 2kc1 s SER 9 Cb -0.19 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 2kc1 s SER 9 CO 0.08 -0.70 1.52 -0.63 1.20 0.00 0.00 173.24 174.72 2kc1 s ILE 10 N 2.26 3.67 0.00 6.45 1.01 0.14 -1.49 121.20 133.25 2kc1 s ILE 10 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2kc1 s ILE 10 Cb -0.19 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.63 2kc1 s ILE 10 CO 0.12 -1.59 0.00 0.61 0.00 0.00 0.00 174.94 174.09 2kc1 n GLY 11 N 6.07 1.66 0.00 6.18 0.00 -1.15 -1.67 105.19 116.28 2kc1 n GLY 11 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 3.44 0.00 -4.28 1.61 0.23 -1.26 -5.04 115.26 109.96 2kc1 n ASN 12 Ca 0.00 -1.00 -0.38 0.00 -0.53 0.00 0.00 54.58 52.67 2kc1 n ASN 12 Cb 0.00 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.58 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 3.79 -0.15 3.53 1.01 -0.67 -5.04 120.40 122.87 2kc1 s VAL 13 Ca 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 2kc1 s VAL 13 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2kc1 s VAL 13 CO 0.00 -0.15 0.09 0.54 0.00 0.00 0.00 175.10 175.59 2kc1 s VAL 14 N 1.41 5.08 0.03 2.92 0.11 -1.26 0.24 120.40 128.94 2kc1 s VAL 14 Ca -0.01 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 2kc1 s VAL 14 Cb -0.19 -3.25 -0.03 0.00 -1.53 0.00 0.00 36.38 31.38 2kc1 s VAL 14 CO 0.03 0.53 -0.25 -0.54 -3.33 0.00 0.00 175.10 171.54 2kc1 s LYS 15 N -0.29 1.92 -0.36 1.54 3.01 0.12 -4.90 119.74 120.79 2kc1 s LYS 15 Ca 0.10 -1.04 -0.16 0.00 -1.01 0.00 0.00 55.97 53.85 2kc1 s LYS 15 Cb -0.12 -2.04 -0.00 0.00 -1.01 0.00 0.00 37.83 34.66 2kc1 s LYS 15 CO 0.01 0.53 0.39 0.99 0.51 0.00 0.00 175.35 177.78 2kc1 s THR 16 N -0.79 5.14 0.18 2.17 2.01 -1.26 0.54 115.64 123.64 2kc1 s THR 16 Ca 0.12 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2kc1 s THR 16 Cb -0.10 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2kc1 s THR 16 CO 0.02 -0.17 -0.07 -0.04 -0.69 0.00 0.00 174.62 173.67 2kc1 s MET 17 N 2.07 1.19 -0.30 4.92 -1.94 -0.58 -4.98 119.30 119.67 2kc1 s MET 17 Ca 0.12 -1.55 -0.07 0.00 -1.71 0.00 0.00 55.69 52.48 2kc1 s MET 17 Cb -0.17 -0.68 0.01 0.00 2.01 0.00 0.00 34.83 36.01 2kc1 s MET 17 CO 0.12 0.02 0.09 -0.65 -0.01 0.00 0.00 175.02 174.60 2kc1 s GLN 18 N -3.78 3.04 -0.19 2.03 -0.21 -1.26 -1.22 119.66 118.08 2kc1 s GLN 18 Ca 0.22 -0.90 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 2kc1 s GLN 18 Cb 0.03 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.61 2kc1 s GLN 18 CO 0.04 -0.48 -0.00 -0.06 -2.12 0.00 0.00 175.29 172.67 2kc1 s PHE 19 N 1.50 3.06 0.38 0.91 0.40 0.26 -4.78 117.98 119.69 2kc1 s PHE 19 Ca 0.02 -0.36 -0.27 0.00 -0.60 0.00 0.00 56.93 55.72 2kc1 s PHE 19 Cb -0.18 -2.05 -0.10 0.00 0.51 0.00 0.00 43.02 41.21 2kc1 s PHE 19 CO 0.03 -0.14 1.36 -1.21 0.70 0.00 0.00 175.22 175.96 2kc1 s GLU 20 N 0.76 4.12 0.52 0.44 2.02 -1.26 0.11 118.70 125.41 2kc1 s GLU 20 Ca 0.00 2.31 0.18 0.00 0.02 0.00 0.00 54.97 57.49 2kc1 s GLU 20 Cb -0.14 -2.92 1.30 0.00 0.10 0.00 0.00 34.13 32.47 2kc1 s GLU 20 CO 0.02 -0.42 2.11 -1.35 0.02 0.00 0.00 175.26 175.63 2kc1 h PRO 21 N 2.98 0.01 -0.00 0.39 0.11 -1.94 0.21 132.00 133.76 2kc1 h PRO 21 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kc1 h PRO 21 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kc1 h PRO 21 CO 0.64 0.00 -0.06 0.43 -0.21 0.00 0.00 178.00 178.80 2kc1 n SER 22 N -4.49 0.30 -4.72 -2.05 7.64 -1.26 -1.68 113.62 107.35 2kc1 n SER 22 Ca 0.01 -0.50 -0.42 0.00 1.01 0.00 0.00 58.87 58.96 2kc1 n SER 22 Cb 0.23 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2kc1 n SER 22 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kc1 s THR 23 N -2.45 3.45 0.52 0.44 2.01 0.06 -4.85 115.64 114.82 2kc1 s THR 23 Ca 0.31 1.07 -0.10 0.00 0.31 0.00 0.00 61.69 63.27 2kc1 s THR 23 Cb 0.20 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2kc1 s THR 23 CO 0.46 0.10 0.90 -0.04 -0.69 0.00 0.00 174.62 175.34 2kc1 s MET 24 N 0.84 3.68 0.23 4.92 -1.94 -1.26 -0.88 119.30 124.89 2kc1 s MET 24 Ca 0.62 0.57 -0.06 0.00 -1.71 0.00 0.00 55.69 55.10 2kc1 s MET 24 Cb -0.35 -2.24 0.20 0.00 2.01 0.00 0.00 34.83 34.45 2kc1 s MET 24 CO 0.32 -0.30 1.79 0.28 -0.01 0.00 0.00 175.02 177.09 2kc1 h VAL 25 N 0.34 1.26 0.00 -6.03 2.07 -0.29 -0.17 116.25 113.43 2kc1 h VAL 25 Ca -0.46 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 2kc1 h VAL 25 Cb 1.19 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2kc1 h VAL 25 CO 0.62 0.33 -0.14 0.10 0.02 0.00 0.00 177.57 178.51 2kc1 h TYR 26 N 1.10 0.00 0.12 1.57 -0.00 -1.29 0.17 116.97 118.64 2kc1 h TYR 26 Ca 0.25 0.00 -0.27 0.00 -0.00 0.00 0.00 58.73 58.71 2kc1 h TYR 26 Cb 0.24 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 37.00 2kc1 h TYR 26 CO 0.02 0.14 -1.13 0.22 -0.00 0.00 0.00 178.16 177.41 2kc1 h ASP 27 N 0.00 0.78 -0.32 0.10 3.58 -1.45 -2.90 116.42 116.21 2kc1 h ASP 27 Ca -0.00 -0.84 -0.10 0.00 0.42 0.00 0.00 57.03 56.51 2kc1 h ASP 27 Cb 0.30 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2kc1 h ASP 27 CO 0.02 1.55 -0.13 0.00 -2.88 0.00 0.00 179.24 177.80 2kc1 h ALA 28 N 0.25 0.99 -0.26 -0.78 0.00 -0.44 -1.75 119.26 117.27 2kc1 h ALA 28 Ca -0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2kc1 h ALA 28 Cb 1.83 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2kc1 h ALA 28 CO 0.22 0.60 0.02 0.00 0.00 0.00 0.00 179.25 180.09 2kc1 h ARG 30 N 0.37 0.81 -0.55 0.00 2.43 -1.21 -3.13 114.38 113.11 2kc1 h ARG 30 Ca 0.09 -0.37 0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2kc1 h ARG 30 Cb 0.22 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 2kc1 h ARG 30 CO 0.00 1.00 0.15 0.52 -1.51 0.00 0.00 179.97 180.13 2kc1 h MET 31 N 0.61 0.29 -0.38 0.20 2.86 -0.49 0.11 114.93 118.14 2kc1 h MET 31 Ca 0.08 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2kc1 h MET 31 Cb 0.78 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 2kc1 h MET 31 CO 0.06 0.19 0.17 0.82 1.06 0.00 0.00 176.91 179.22 2kc1 h ILE 32 N 0.30 1.17 0.00 -1.22 1.08 -1.52 -0.79 117.51 116.53 2kc1 h ILE 32 Ca 0.28 -0.51 -0.13 0.00 -0.39 0.00 0.00 64.86 64.11 2kc1 h ILE 32 Cb 0.37 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 2kc1 h ILE 32 CO -0.33 0.19 -0.61 0.08 -0.69 0.00 0.00 178.15 176.79 2kc1 h ARG 33 N 0.47 0.00 0.16 2.37 0.11 -1.27 0.34 114.38 116.56 2kc1 h ARG 33 Ca 0.13 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.92 2kc1 h ARG 33 Cb 0.14 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.23 2kc1 h ARG 33 CO -0.01 0.61 -1.31 0.93 0.10 0.00 0.00 179.97 180.28 2kc1 h GLU 34 N 0.00 0.35 0.15 0.08 4.39 -0.69 -3.37 114.58 115.48 2kc1 h GLU 34 Ca -0.01 -0.59 -0.33 0.00 0.34 0.00 0.00 59.36 58.77 2kc1 h GLU 34 Cb 1.12 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2kc1 h GLU 34 CO 0.08 1.28 -1.72 -0.09 -1.16 0.00 0.00 179.01 177.40 2kc1 h ARG 35 N 0.09 0.31 -4.92 2.33 9.65 -1.09 -3.45 114.38 117.31 2kc1 h ARG 35 Ca -0.17 -0.53 -0.67 0.00 -1.10 0.00 0.00 59.98 57.52 2kc1 h ARG 35 Cb 2.03 0.20 -0.32 0.00 -1.39 0.00 0.00 29.97 30.49 2kc1 h ARG 35 CO 0.22 1.25 -0.75 0.42 2.80 0.00 0.00 179.97 183.92 2kc1 s ILE 36 N -2.54 2.91 -0.48 1.20 1.01 0.12 -4.96 121.20 118.46 2kc1 s ILE 36 Ca -0.19 -0.97 0.26 0.00 0.00 0.00 0.00 60.65 59.75 2kc1 s ILE 36 Cb 0.05 -2.45 0.29 0.00 0.01 0.00 0.00 42.46 40.36 2kc1 s ILE 36 CO 0.80 0.23 1.76 1.55 0.00 0.00 0.00 174.94 179.28 2kc1 h PRO 37 N 8.02 0.00 -0.31 2.79 0.13 -1.80 -3.12 132.00 137.72 2kc1 h PRO 37 Ca -0.34 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 2kc1 h PRO 37 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2kc1 h PRO 37 CO 0.58 0.00 0.04 1.49 -0.23 0.00 0.00 178.00 179.87 2kc1 h GLU 38 N 0.00 0.46 -0.00 0.86 4.81 -1.91 -1.11 114.58 117.69 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 0.55 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.85 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 -2.48 2.34 -2.34 2.92 0.00 -1.18 -4.65 120.51 115.12 2kc1 n ALA 39 Ca 0.01 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 2kc1 n ALA 39 Cb 0.20 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.99 3.36 0.00 0.00 1.43 -0.42 -4.46 118.68 115.60 2kc1 s LEU 40 Ca 0.14 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2kc1 s LEU 40 Cb 0.19 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2kc1 s LEU 40 CO 0.53 -2.03 0.86 0.00 0.23 0.00 0.00 176.35 175.94 2kc1 n ALA 41 N 11.05 1.83 0.00 4.21 0.00 -1.26 -5.08 120.51 131.26 2kc1 n ALA 41 Ca 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2kc1 n ALA 41 Cb 0.49 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.70 3.82 0.00 0.00 -1.26 -5.13 105.19 101.92 2kc1 n GLY 42 Ca 0.00 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 2kc1 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kc1 s PRO 43 N -1.99 4.25 0.21 1.61 0.04 -1.26 -4.94 135.00 132.93 2kc1 s PRO 43 Ca 0.00 1.10 0.22 0.00 0.04 0.00 0.00 61.00 62.36 2kc1 s PRO 43 Cb 0.00 -2.29 0.92 0.00 0.04 0.00 0.00 34.50 33.16 2kc1 s PRO 43 CO 0.00 0.03 1.66 -2.30 0.04 0.00 0.00 177.00 176.43 2kc1 n PRO 44 N -0.44 0.16 0.07 0.56 -0.02 -1.26 -1.34 135.00 132.73 2kc1 n PRO 44 Ca 0.06 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2kc1 n PRO 44 Cb 0.53 -1.81 0.12 0.00 -0.02 0.00 0.00 33.50 32.33 2kc1 n PRO 44 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kc1 h ASN 45 N 0.00 0.00 0.29 2.55 -1.07 -2.00 -3.27 115.58 112.08 2kc1 h ASN 45 Ca 0.00 -0.19 -0.03 0.00 0.07 0.00 0.00 56.30 56.16 2kc1 h ASN 45 Cb 0.33 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.57 2kc1 h ASN 45 CO 0.00 0.09 -1.73 -0.67 0.07 0.00 0.00 177.43 175.19 2kc1 n ASP 46 N -2.22 0.26 -2.92 6.14 2.03 -0.45 -4.88 116.55 114.51 2kc1 n ASP 46 Ca 0.02 0.10 -0.08 0.00 0.52 0.00 0.00 54.79 55.35 2kc1 n ASP 46 Cb 0.46 1.46 0.04 0.00 -0.72 0.00 0.00 41.12 42.37 2kc1 n ASP 46 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2kc1 n PHE 47 N -2.42 -3.22 0.00 -0.67 3.01 -0.66 -0.78 117.46 112.72 2kc1 n PHE 47 Ca -0.05 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.78 2kc1 n PHE 47 Cb 0.61 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 2kc1 n PHE 47 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kc1 n GLY 48 N 2.23 -0.08 3.55 1.37 0.00 0.75 -4.52 105.19 108.49 2kc1 n GLY 48 Ca 0.06 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 2kc1 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kc1 s LEU 49 N 0.00 4.30 -0.27 0.99 1.43 -1.26 -1.49 118.68 122.38 2kc1 s LEU 49 Ca 0.00 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 2kc1 s LEU 49 Cb 0.00 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2kc1 s LEU 49 CO 0.00 -0.16 0.12 0.12 0.23 0.00 0.00 176.35 176.66 2kc1 s PHE 50 N 1.73 3.14 -0.20 0.29 5.36 0.57 -0.39 117.98 128.48 2kc1 s PHE 50 Ca 0.06 -0.31 -0.29 0.00 -0.96 0.00 0.00 56.93 55.44 2kc1 s PHE 50 Cb -0.17 -2.30 -0.01 0.00 -0.34 0.00 0.00 43.02 40.20 2kc1 s PHE 50 CO 0.11 -0.33 1.36 -1.17 -1.46 0.00 0.00 175.22 173.73 2kc1 s LEU 51 N 1.65 4.06 0.15 6.12 0.20 0.99 0.42 118.68 132.27 2kc1 s LEU 51 Ca 0.06 1.58 -0.26 0.00 0.69 0.00 0.00 54.13 56.20 2kc1 s LEU 51 Cb -0.16 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 41.99 2kc1 s LEU 51 CO 0.06 -0.94 0.80 -0.44 -0.29 0.00 0.00 176.35 175.54 2kc1 s SER 52 N 2.65 7.39 0.20 3.68 0.01 -0.57 -2.91 113.70 124.15 2kc1 s SER 52 Ca 0.59 1.64 -0.02 0.00 1.31 0.00 0.00 55.95 59.47 2kc1 s SER 52 Cb -0.22 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 2kc1 s SER 52 CO 0.20 0.15 0.16 -0.62 0.41 0.00 0.00 173.24 173.55 2kc1 s ASP 53 N -0.87 0.13 0.49 2.44 2.15 -1.26 -4.78 116.67 114.97 2kc1 s ASP 53 Ca 0.37 -1.34 0.24 0.00 0.43 0.00 0.00 52.55 52.26 2kc1 s ASP 53 Cb -0.23 0.40 1.25 0.00 -0.30 0.00 0.00 42.92 44.04 2kc1 s ASP 53 CO 0.26 -0.87 2.00 0.44 -0.17 0.00 0.00 175.17 176.83 2kc1 h ASP 54 N 2.59 0.00 -3.30 -0.34 3.32 -1.98 -3.42 116.42 113.29 2kc1 h ASP 54 Ca -0.35 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.02 2kc1 h ASP 54 Cb 1.25 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.47 2kc1 h ASP 54 CO 0.51 0.17 -0.87 -0.62 -1.72 0.00 0.00 179.24 176.71 2kc1 s ASP 55 N -6.30 3.13 0.26 6.45 2.15 -1.26 -5.02 116.67 116.09 2kc1 s ASP 55 Ca -0.02 -0.56 0.22 0.00 0.43 0.00 0.00 52.55 52.62 2kc1 s ASP 55 Cb 0.13 -1.43 1.00 0.00 -0.30 0.00 0.00 42.92 42.32 2kc1 s ASP 55 CO 0.62 0.14 1.68 -0.81 -0.17 0.00 0.00 175.17 176.62 2kc1 n PRO 56 N 3.66 0.17 0.07 4.34 -0.04 -1.26 -1.60 135.00 140.34 2kc1 n PRO 56 Ca -0.19 0.47 0.03 0.00 -0.04 0.00 0.00 63.50 63.77 2kc1 n PRO 56 Cb 0.53 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 2kc1 n PRO 56 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kc1 h LYS 57 N 0.00 0.00 0.00 0.54 1.63 -1.96 -3.28 116.57 113.50 2kc1 h LYS 57 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2kc1 h LYS 57 Cb 0.27 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2kc1 h LYS 57 CO 0.00 0.25 -1.01 0.87 -3.45 0.00 0.00 179.45 176.12 2kc1 h LYS 58 N 0.00 0.00 -6.48 1.90 1.57 -1.75 -3.45 116.57 108.36 2kc1 h LYS 58 Ca -0.09 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.15 2kc1 h LYS 58 Cb 1.40 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.73 2kc1 h LYS 58 CO 0.04 0.15 0.90 0.20 -0.57 0.00 0.00 179.45 180.17 2kc1 s GLY 59 N -4.51 1.68 0.14 3.86 0.00 -0.63 -4.91 107.32 102.94 2kc1 s GLY 59 Ca -0.00 1.16 0.07 0.00 0.00 0.00 0.00 44.72 45.95 2kc1 s GLY 59 CO 0.78 2.69 -0.16 -0.26 0.00 0.00 0.00 173.10 176.15 2kc1 s ILE 60 N 2.07 1.55 -0.21 0.90 -4.36 -1.14 -4.92 121.20 115.08 2kc1 s ILE 60 Ca 0.70 -1.78 -0.23 0.00 -0.26 0.00 0.00 60.65 59.08 2kc1 s ILE 60 Cb -0.39 -1.65 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 2kc1 s ILE 60 CO 0.31 -0.35 0.74 0.26 0.24 0.00 0.00 174.94 176.13 2kc1 s TRP 61 N -2.03 3.35 -0.13 1.37 0.52 -1.26 -0.01 118.94 120.76 2kc1 s TRP 61 Ca 0.11 1.05 -0.29 0.00 0.02 0.00 0.00 56.10 56.99 2kc1 s TRP 61 Cb -0.06 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.30 2kc1 s TRP 61 CO 0.04 -0.28 1.41 -0.51 0.02 0.00 0.00 176.95 177.64 2kc1 s LEU 62 N 2.32 4.23 0.27 2.99 1.02 0.47 -4.97 118.68 125.01 2kc1 s LEU 62 Ca 0.32 1.89 -0.29 0.00 0.02 0.00 0.00 54.13 56.07 2kc1 s LEU 62 Cb -0.16 -3.54 -0.09 0.00 0.02 0.00 0.00 46.19 42.42 2kc1 s LEU 62 CO 0.10 -0.83 1.24 -1.61 0.02 0.00 0.00 176.35 175.27 2kc1 s GLU 63 N 3.72 4.46 0.33 1.70 2.02 -1.26 -4.45 118.70 125.21 2kc1 s GLU 63 Ca 0.62 2.03 0.05 0.00 0.02 0.00 0.00 54.97 57.69 2kc1 s GLU 63 Cb -0.26 -3.15 0.69 0.00 0.10 0.00 0.00 34.13 31.51 2kc1 s GLU 63 CO 0.20 -0.08 1.88 0.00 0.02 0.00 0.00 175.26 177.27 2kc1 h ALA 64 N 4.21 1.68 -0.03 5.21 0.00 -1.93 0.33 119.26 128.74 2kc1 h ALA 64 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kc1 h ALA 64 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2kc1 h ALA 64 CO 0.70 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2kc1 n GLY 65 N -1.41 -0.61 3.96 0.00 0.00 -1.26 -0.96 105.19 104.92 2kc1 n GLY 65 Ca 0.17 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.97 3.24 0.16 1.61 -0.14 0.11 -4.91 119.74 117.84 2kc1 s LYS 66 Ca 0.39 -0.66 0.04 0.00 -1.36 0.00 0.00 55.97 54.37 2kc1 s LYS 66 Cb 0.19 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 2kc1 s LYS 66 CO 0.31 0.05 0.22 0.00 -0.76 0.00 0.00 175.35 175.17 2kc1 s ALA 67 N -2.29 3.80 0.17 5.17 0.00 -1.26 0.09 121.76 127.43 2kc1 s ALA 67 Ca 0.43 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 2kc1 s ALA 67 Cb -0.10 -1.60 0.06 0.00 0.00 0.00 0.00 23.12 21.49 2kc1 s ALA 67 CO 0.34 0.50 1.79 -0.07 0.00 0.00 0.00 175.76 178.33 2kc1 h LEU 68 N 2.19 0.64 -0.97 0.00 3.38 -1.13 -2.56 115.31 116.86 2kc1 h LEU 68 Ca -0.48 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 57.58 2kc1 h LEU 68 Cb 1.20 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.69 2kc1 h LEU 68 CO 0.66 0.52 0.58 -0.78 0.09 0.00 0.00 178.44 179.51 2kc1 h ASP 69 N 0.71 0.78 -0.73 -0.43 3.58 -1.56 -0.59 116.42 118.17 2kc1 h ASP 69 Ca 0.19 0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.77 2kc1 h ASP 69 Cb 0.01 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 2kc1 h ASP 69 CO -0.03 0.33 0.48 0.22 -2.88 0.00 0.00 179.24 177.36 2kc1 h TYR 70 N 0.81 0.79 -0.00 0.28 3.20 -1.74 -0.89 116.97 119.41 2kc1 h TYR 70 Ca 0.53 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.42 2kc1 h TYR 70 Cb 0.71 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2kc1 h TYR 70 CO -0.02 0.43 -0.24 0.66 -1.64 0.00 0.00 178.16 177.35 2kc1 n TYR 71 N -4.47 0.00 -2.69 -3.82 4.01 -0.27 -5.00 117.16 104.92 2kc1 n TYR 71 Ca 0.10 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.84 2kc1 n TYR 71 Cb 0.20 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 2kc1 n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kc1 n MET 72 N -1.14 -3.34 -4.18 -0.72 2.81 -0.34 -5.04 117.12 105.16 2kc1 n MET 72 Ca 0.10 2.69 -0.26 0.00 -1.81 0.00 0.00 57.70 58.42 2kc1 n MET 72 Cb 0.32 -5.30 -0.07 0.00 -0.71 0.00 0.00 33.22 27.46 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 -1.66 3.42 0.06 4.03 1.43 -1.26 -5.07 118.68 119.63 2kc1 s LEU 73 Ca 0.02 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2kc1 s LEU 73 Cb -0.01 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2kc1 s LEU 73 CO 0.76 0.08 -0.08 -0.13 0.23 0.00 0.00 176.35 177.22 2kc1 s ARG 74 N -3.03 0.64 0.10 1.70 0.52 -1.26 -5.04 118.95 112.59 2kc1 s ARG 74 Ca 0.28 -0.96 -0.31 0.00 -0.52 0.00 0.00 55.73 54.23 2kc1 s ARG 74 Cb -0.09 -0.28 -0.09 0.00 0.52 0.00 0.00 34.95 35.00 2kc1 s ARG 74 CO 0.20 0.03 1.75 0.54 0.02 0.00 0.00 175.30 177.84 2kc1 s ASN 75 N -2.07 6.50 0.00 0.23 2.20 -1.25 -1.57 114.94 118.97 2kc1 s ASN 75 Ca -0.02 2.64 0.00 0.00 -0.94 0.00 0.00 52.86 54.54 2kc1 s ASN 75 Cb -0.05 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.63 2kc1 s ASN 75 CO -0.01 -0.95 0.00 0.61 -2.94 0.00 0.00 177.10 173.81 2kc1 n GLY 76 N 4.12 1.38 3.80 0.45 0.00 0.75 -4.99 105.19 110.70 2kc1 n GLY 76 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2kc1 n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc1 s ASP 77 N -1.75 4.62 -0.16 1.61 2.15 -0.61 -4.67 116.67 117.85 2kc1 s ASP 77 Ca 0.00 1.46 0.02 0.00 0.43 0.00 0.00 52.55 54.45 2kc1 s ASP 77 Cb 0.00 -2.22 0.02 0.00 -0.30 0.00 0.00 42.92 40.42 2kc1 s ASP 77 CO 0.00 -1.91 -0.20 -0.89 -0.17 0.00 0.00 175.17 172.00 2kc1 s THR 78 N -3.08 2.01 -0.08 1.71 2.01 -1.26 -0.12 115.64 116.82 2kc1 s THR 78 Ca 0.60 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.72 2kc1 s THR 78 Cb -0.15 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 2kc1 s THR 78 CO 0.55 0.54 -0.23 -0.04 -0.69 0.00 0.00 174.62 174.74 2kc1 s MET 79 N 1.10 2.74 -0.42 4.92 -1.94 0.12 -1.51 119.30 124.31 2kc1 s MET 79 Ca -0.00 -0.84 -0.19 0.00 -1.71 0.00 0.00 55.69 52.95 2kc1 s MET 79 Cb -0.14 -2.15 0.02 0.00 2.01 0.00 0.00 34.83 34.57 2kc1 s MET 79 CO -0.08 0.22 0.52 -1.21 -0.01 0.00 0.00 175.02 174.47 2kc1 s GLU 80 N 0.22 3.22 -0.66 2.03 2.02 0.17 -0.83 118.70 124.87 2kc1 s GLU 80 Ca -0.14 -0.55 -0.27 0.00 0.02 0.00 0.00 54.97 54.03 2kc1 s GLU 80 Cb -0.16 -3.94 0.03 0.00 0.10 0.00 0.00 34.13 30.16 2kc1 s GLU 80 CO 0.07 -0.89 1.20 -0.47 0.02 0.00 0.00 175.26 175.19 2kc1 s TYR 81 N 2.42 2.47 0.18 1.61 6.14 -0.55 -0.31 117.35 129.31 2kc1 s TYR 81 Ca 0.17 0.13 -0.08 0.00 0.64 0.00 0.00 57.07 57.93 2kc1 s TYR 81 Cb -0.16 -4.53 -0.01 0.00 0.42 0.00 0.00 41.96 37.68 2kc1 s TYR 81 CO 0.16 -1.80 0.27 -0.98 0.64 0.00 0.00 175.55 173.84 2kc1 s ARG 82 N 5.20 1.20 0.28 4.97 1.70 -0.55 -2.93 118.95 128.81 2kc1 s ARG 82 Ca 0.37 -1.26 -0.29 0.00 -0.47 0.00 0.00 55.73 54.08 2kc1 s ARG 82 Cb -0.08 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 2kc1 s ARG 82 CO 0.19 -0.44 1.13 0.21 -1.08 0.00 0.00 175.30 175.32 2kc1 s LYS 83 N -4.00 4.60 -0.29 3.89 2.20 -1.26 -0.18 119.74 124.69 2kc1 s LYS 83 Ca 0.21 1.86 -0.28 0.00 -0.36 0.00 0.00 55.97 57.40 2kc1 s LYS 83 Cb 0.04 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 2kc1 s LYS 83 CO 0.03 0.14 2.22 0.15 -0.36 0.00 0.00 175.35 177.53 2kc1 s LYS 84 N -1.38 2.93 0.00 4.03 1.02 0.04 -4.83 119.74 121.55 2kc1 s LYS 84 Ca 0.46 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.28 2kc1 s LYS 84 Cb -0.33 -4.40 0.00 0.00 -0.52 0.00 0.00 37.83 32.58 2kc1 s LYS 84 CO 0.42 -2.34 0.00 1.04 -0.92 0.00 0.00 175.35 173.55