#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 4.00 0.41 -0.61 1.10 -1.26 -5.09 121.20 119.76 2kc1 s ILE -4 Ca 0.00 -1.06 -0.25 0.00 -0.51 0.00 0.00 60.65 58.83 2kc1 s ILE -4 Cb 0.00 -2.93 -0.10 0.00 0.15 0.00 0.00 42.46 39.57 2kc1 s ILE -4 CO 0.00 0.07 1.15 0.47 -2.11 0.00 0.00 174.94 174.52 2kc1 n ASP -3 N 0.40 1.94 -4.44 4.50 8.00 -1.26 -4.76 116.55 120.93 2kc1 n ASP -3 Ca -0.10 1.08 -0.47 0.00 0.71 0.00 0.00 54.79 56.01 2kc1 n ASP -3 Cb 0.53 -1.43 -0.10 0.00 -0.02 0.00 0.00 41.12 40.09 2kc1 n ASP -3 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2kc1 n PRO -2 N 0.11 0.44 -3.29 -0.24 -0.02 -1.23 -4.86 135.00 125.90 2kc1 n PRO -2 Ca 0.08 0.07 -0.45 0.00 -2.02 0.00 0.00 63.50 61.18 2kc1 n PRO -2 Cb 0.39 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2kc1 n PRO -2 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2kc1 s PHE -1 N 8.45 4.14 0.43 6.00 5.36 -1.26 -4.47 117.98 136.63 2kc1 s PHE -1 Ca 1.20 -2.56 -0.06 0.00 -0.96 0.00 0.00 56.93 54.54 2kc1 s PHE -1 Cb -1.04 -3.90 -0.05 0.00 -0.34 0.00 0.00 43.02 37.70 2kc1 s PHE -1 CO 0.49 -1.01 0.74 0.99 -1.46 0.00 0.00 175.22 174.98 2kc1 s THR 0 N -0.80 4.90 -1.57 0.12 2.01 -1.26 -4.95 115.64 114.09 2kc1 s THR 0 Ca 0.31 0.27 0.17 0.00 0.31 0.00 0.00 61.69 62.75 2kc1 s THR 0 Cb -0.09 -3.81 0.34 0.00 0.01 0.00 0.00 72.50 68.95 2kc1 s THR 0 CO -0.07 -0.69 1.47 0.23 -0.69 0.00 0.00 174.62 174.88 2kc1 n MET 1 N -1.82 0.31 -2.76 4.92 0.00 -1.26 -2.13 117.12 114.38 2kc1 n MET 1 Ca 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 57.70 57.77 2kc1 n MET 1 Cb 0.55 -1.50 0.06 0.00 0.00 0.00 0.00 33.22 32.33 2kc1 n MET 1 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 2kc1 n VAL 2 N -1.21 0.91 -2.48 2.03 3.14 -1.26 -5.12 118.33 114.34 2kc1 n VAL 2 Ca 0.09 -2.57 -0.38 0.00 -2.96 0.00 0.00 64.34 58.52 2kc1 n VAL 2 Cb 0.11 1.07 -0.04 0.00 -1.06 0.00 0.00 33.84 33.92 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 -2.75 3.17 -0.40 1.55 0.00 -0.91 -4.49 121.76 117.94 2kc1 s ALA 3 Ca 0.24 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 2kc1 s ALA 3 Cb 0.38 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 20.21 2kc1 s ALA 3 CO -0.03 -0.26 0.34 -0.51 0.00 0.00 0.00 175.76 175.29 2kc1 s LEU 4 N -2.34 4.92 -0.52 0.00 1.43 0.11 -4.85 118.68 117.43 2kc1 s LEU 4 Ca 0.55 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 2kc1 s LEU 4 Cb -0.26 -2.24 0.07 0.00 0.03 0.00 0.00 46.19 43.79 2kc1 s LEU 4 CO 0.33 -0.45 0.64 -0.44 0.23 0.00 0.00 176.35 176.65 2kc1 s SER 5 N 1.73 6.22 0.25 2.29 0.01 -1.26 0.31 113.70 123.24 2kc1 s SER 5 Ca 0.08 -0.99 0.09 0.00 1.31 0.00 0.00 55.95 56.43 2kc1 s SER 5 Cb -0.18 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kc1 s SER 5 CO 0.11 -0.93 0.01 -0.76 0.41 0.00 0.00 173.24 172.08 2kc1 s LEU 6 N 2.63 3.24 -0.43 2.44 1.02 -0.52 0.38 118.68 127.44 2kc1 s LEU 6 Ca 0.14 -0.59 -0.18 0.00 0.02 0.00 0.00 54.13 53.53 2kc1 s LEU 6 Cb -0.20 -1.79 0.03 0.00 0.02 0.00 0.00 46.19 44.25 2kc1 s LEU 6 CO 0.11 0.01 0.46 -0.54 0.02 0.00 0.00 176.35 176.41 2kc1 s LYS 7 N -3.57 3.10 -0.41 1.70 -0.14 0.14 -2.12 119.74 118.44 2kc1 s LYS 7 Ca 0.31 -0.78 -0.16 0.00 -1.36 0.00 0.00 55.97 53.98 2kc1 s LYS 7 Cb -0.07 -3.98 0.02 0.00 -1.68 0.00 0.00 37.83 32.12 2kc1 s LYS 7 CO 0.20 -0.90 0.35 0.42 -0.76 0.00 0.00 175.35 174.67 2kc1 s ILE 8 N 2.19 5.19 -0.57 2.17 -1.09 0.21 0.09 121.20 129.39 2kc1 s ILE 8 Ca 0.12 -0.54 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 2kc1 s ILE 8 Cb -0.17 -3.97 0.09 0.00 -1.58 0.00 0.00 42.46 36.82 2kc1 s ILE 8 CO 0.13 -0.36 0.68 -0.55 -1.23 0.00 0.00 174.94 173.62 2kc1 s SER 9 N 1.73 6.19 -0.89 3.58 0.15 0.89 0.10 113.70 125.46 2kc1 s SER 9 Ca 0.08 -1.31 -0.22 0.00 0.70 0.00 0.00 55.95 55.20 2kc1 s SER 9 Cb -0.18 -2.30 0.08 0.00 -1.71 0.00 0.00 66.02 61.91 2kc1 s SER 9 CO 0.11 -1.06 1.22 -0.63 1.20 0.00 0.00 173.24 174.08 2kc1 s ILE 10 N 2.66 4.28 0.00 6.45 1.01 0.19 -1.13 121.20 134.65 2kc1 s ILE 10 Ca 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2kc1 s ILE 10 Cb -0.23 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.37 2kc1 s ILE 10 CO 0.08 -1.68 0.00 0.61 0.00 0.00 0.00 174.94 173.95 2kc1 n GLY 11 N 5.90 0.89 0.00 6.18 0.00 -1.16 -1.43 105.19 115.58 2kc1 n GLY 11 Ca 0.19 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2kc1 n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kc1 n ASN 12 N 3.60 1.01 -4.22 1.61 3.02 -1.26 -4.99 115.26 114.03 2kc1 n ASN 12 Ca 0.00 -1.03 -0.34 0.00 -0.03 0.00 0.00 54.58 53.18 2kc1 n ASN 12 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kc1 s VAL 13 N -0.03 2.86 -0.26 2.41 1.01 -0.51 -5.09 120.40 120.79 2kc1 s VAL 13 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 2kc1 s VAL 13 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2kc1 s VAL 13 CO 0.00 0.35 0.36 -0.69 0.00 0.00 0.00 175.10 175.12 2kc1 s VAL 14 N 1.37 5.19 0.03 2.92 1.01 -1.26 0.53 120.40 130.18 2kc1 s VAL 14 Ca 0.03 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.64 2kc1 s VAL 14 Cb -0.15 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2kc1 s VAL 14 CO -0.06 0.18 -0.24 -0.54 0.00 0.00 0.00 175.10 174.44 2kc1 s LYS 15 N 1.94 1.96 -0.23 2.72 -0.14 0.12 -4.93 119.74 121.18 2kc1 s LYS 15 Ca 0.15 -1.03 -0.08 0.00 -1.36 0.00 0.00 55.97 53.65 2kc1 s LYS 15 Cb -0.16 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.89 2kc1 s LYS 15 CO 0.10 0.53 0.09 0.99 -0.76 0.00 0.00 175.35 176.30 2kc1 s THR 16 N -0.80 4.67 0.07 2.17 2.01 -1.26 0.66 115.64 123.17 2kc1 s THR 16 Ca 0.12 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2kc1 s THR 16 Cb -0.10 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 2kc1 s THR 16 CO 0.02 0.37 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.22 2kc1 s MET 17 N 1.15 0.69 -0.20 4.92 -1.94 -0.90 -5.00 119.30 118.01 2kc1 s MET 17 Ca 0.05 -1.14 -0.07 0.00 -1.71 0.00 0.00 55.69 52.81 2kc1 s MET 17 Cb -0.14 -0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.53 2kc1 s MET 17 CO 0.04 -0.02 0.07 -0.65 -0.01 0.00 0.00 175.02 174.44 2kc1 s GLN 18 N -3.20 3.88 0.48 2.03 -0.21 -1.26 -1.45 119.66 119.93 2kc1 s GLN 18 Ca 0.04 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.05 2kc1 s GLN 18 Cb 0.01 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.79 2kc1 s GLN 18 CO -0.04 0.14 0.08 1.19 -2.12 0.00 0.00 175.29 174.54 2kc1 n PHE 19 N 3.94 0.73 -4.34 0.91 3.72 0.15 -3.54 117.46 119.03 2kc1 n PHE 19 Ca -0.16 -2.31 -0.31 0.00 -0.05 0.00 0.00 57.45 54.62 2kc1 n PHE 19 Cb 0.52 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.62 2kc1 n PHE 19 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2kc1 s GLU 20 N -3.80 2.26 0.45 -1.08 2.02 -1.26 0.04 118.70 117.33 2kc1 s GLU 20 Ca 0.06 -0.92 0.13 0.00 0.02 0.00 0.00 54.97 54.26 2kc1 s GLU 20 Cb -0.01 -2.36 1.05 0.00 0.10 0.00 0.00 34.13 32.91 2kc1 s GLU 20 CO 0.04 0.54 2.04 -1.35 0.02 0.00 0.00 175.26 176.55 2kc1 h PRO 21 N 3.96 0.34 0.00 0.39 0.11 -1.95 -0.97 132.00 133.87 2kc1 h PRO 21 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kc1 h PRO 21 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2kc1 h PRO 21 CO 0.52 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.20 2kc1 h SER 22 N 0.35 0.00 -2.85 -2.05 4.64 -1.95 -1.96 113.55 109.71 2kc1 h SER 22 Ca 0.18 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.97 2kc1 h SER 22 Cb 0.27 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.40 2kc1 h SER 22 CO -0.04 0.00 0.85 -0.89 -0.87 0.00 0.00 176.83 175.88 2kc1 s THR 23 N -3.20 2.75 0.57 2.95 2.01 -0.37 -4.80 115.64 115.56 2kc1 s THR 23 Ca 0.08 0.54 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 2kc1 s THR 23 Cb 0.11 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 2kc1 s THR 23 CO 0.53 0.04 1.01 -0.04 -0.69 0.00 0.00 174.62 175.48 2kc1 s MET 24 N 1.15 3.67 0.20 4.92 -1.94 -1.26 -0.68 119.30 125.36 2kc1 s MET 24 Ca 0.69 0.92 -0.08 0.00 -1.71 0.00 0.00 55.69 55.51 2kc1 s MET 24 Cb -0.42 -2.09 0.13 0.00 2.01 0.00 0.00 34.83 34.45 2kc1 s MET 24 CO 0.31 -0.50 1.74 0.28 -0.01 0.00 0.00 175.02 176.84 2kc1 h VAL 25 N 0.32 1.26 0.00 -6.03 2.07 -0.16 0.29 116.25 114.00 2kc1 h VAL 25 Ca -0.46 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 2kc1 h VAL 25 Cb 1.19 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2kc1 h VAL 25 CO 0.61 0.36 -0.14 0.10 0.02 0.00 0.00 177.57 178.52 2kc1 h TYR 26 N 1.11 0.00 0.09 1.57 -0.00 -1.40 0.12 116.97 118.45 2kc1 h TYR 26 Ca 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.82 2kc1 h TYR 26 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.05 2kc1 h TYR 26 CO 0.03 0.14 -0.69 0.22 -0.00 0.00 0.00 178.16 177.85 2kc1 h ASP 27 N 0.00 0.28 -0.53 0.10 1.82 -1.48 -2.88 116.42 113.73 2kc1 h ASP 27 Ca -0.00 -0.92 -0.04 0.00 -0.39 0.00 0.00 57.03 55.68 2kc1 h ASP 27 Cb 0.30 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.19 2kc1 h ASP 27 CO 0.02 1.32 0.20 0.00 -1.61 0.00 0.00 179.24 179.17 2kc1 h ALA 28 N -0.00 1.28 -0.32 -0.78 0.00 -0.27 -1.49 119.26 117.68 2kc1 h ALA 28 Ca -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2kc1 h ALA 28 Cb 1.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2kc1 h ALA 28 CO 0.07 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.86 2kc1 h ARG 30 N 0.47 0.87 -0.95 0.00 2.43 -1.08 -2.85 114.38 113.27 2kc1 h ARG 30 Ca 0.10 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2kc1 h ARG 30 Cb 0.29 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 2kc1 h ARG 30 CO 0.01 1.04 0.62 0.52 -1.51 0.00 0.00 179.97 180.64 2kc1 h MET 31 N 0.74 1.15 -0.80 0.20 2.86 -0.56 0.66 114.93 119.18 2kc1 h MET 31 Ca 0.09 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2kc1 h MET 31 Cb 0.84 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 2kc1 h MET 31 CO 0.07 0.76 0.37 0.82 1.06 0.00 0.00 176.91 179.99 2kc1 h ILE 32 N 1.19 1.25 -0.42 -1.22 1.08 -1.33 0.36 117.51 118.41 2kc1 h ILE 32 Ca 0.38 -0.73 -0.11 0.00 -0.39 0.00 0.00 64.86 64.01 2kc1 h ILE 32 Cb 0.03 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 2kc1 h ILE 32 CO -0.13 0.31 -0.17 0.03 -0.69 0.00 0.00 178.15 177.50 2kc1 h ARG 33 N 1.14 0.81 0.08 2.37 3.08 -0.99 0.18 114.38 121.05 2kc1 h ARG 33 Ca 0.27 -0.30 -0.25 0.00 0.07 0.00 0.00 59.98 59.77 2kc1 h ARG 33 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2kc1 h ARG 33 CO -0.03 0.92 -1.15 0.93 -1.07 0.00 0.00 179.97 179.57 2kc1 h GLU 34 N 0.71 0.18 0.11 0.04 4.39 -0.67 -3.36 114.58 115.99 2kc1 h GLU 34 Ca 0.11 -0.30 -0.28 0.00 0.34 0.00 0.00 59.36 59.23 2kc1 h GLU 34 Cb 0.68 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2kc1 h GLU 34 CO 0.05 1.14 -1.41 -0.09 -1.16 0.00 0.00 179.01 177.54 2kc1 h ARG 35 N 0.05 0.24 -5.02 2.33 9.65 -0.90 -3.46 114.38 117.28 2kc1 h ARG 35 Ca -0.09 -0.41 -0.66 0.00 -1.10 0.00 0.00 59.98 57.72 2kc1 h ARG 35 Cb 1.89 0.15 -0.30 0.00 -1.39 0.00 0.00 29.97 30.33 2kc1 h ARG 35 CO 0.18 1.20 -0.77 0.42 2.80 0.00 0.00 179.97 183.80 2kc1 s ILE 36 N -2.48 2.94 -0.17 1.20 1.01 0.64 -4.97 121.20 119.38 2kc1 s ILE 36 Ca -0.20 -0.64 0.25 0.00 0.00 0.00 0.00 60.65 60.07 2kc1 s ILE 36 Cb 0.04 -2.31 0.31 0.00 0.01 0.00 0.00 42.46 40.51 2kc1 s ILE 36 CO 0.77 0.46 1.73 1.55 0.00 0.00 0.00 174.94 179.45 2kc1 h PRO 37 N 8.03 0.00 0.00 2.79 0.13 -1.81 -3.19 132.00 137.96 2kc1 h PRO 37 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2kc1 h PRO 37 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kc1 h PRO 37 CO 0.61 0.09 -0.32 0.93 -0.23 0.00 0.00 178.00 179.08 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 5.08 -1.93 -0.99 114.58 117.60 2kc1 h GLU 38 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kc1 h GLU 38 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kc1 h GLU 38 CO 0.01 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 2kc1 h ALA 39 N 1.68 1.00 -1.33 3.43 0.00 -1.85 -3.40 119.26 118.78 2kc1 h ALA 39 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2kc1 h ALA 39 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 2kc1 h ALA 39 CO 0.04 0.00 1.18 -0.51 0.00 0.00 0.00 179.25 179.96 2kc1 s LEU 40 N -5.66 3.59 -0.01 0.00 1.43 -0.38 -4.59 118.68 113.07 2kc1 s LEU 40 Ca 0.03 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 2kc1 s LEU 40 Cb 0.09 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2kc1 s LEU 40 CO 0.52 -1.59 0.94 0.00 0.23 0.00 0.00 176.35 176.45 2kc1 n ALA 41 N 8.76 1.88 0.00 4.21 0.00 -1.26 -5.05 120.51 129.05 2kc1 n ALA 41 Ca 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2kc1 n ALA 41 Cb 0.50 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.06 -2.24 3.76 0.00 0.00 -1.26 -5.13 105.19 100.25 2kc1 n GLY 42 Ca 0.01 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.96 3.00 0.59 1.61 0.04 -1.26 -4.91 135.00 132.10 2kc1 s PRO 43 Ca 0.00 1.74 0.37 0.00 0.04 0.00 0.00 61.00 63.15 2kc1 s PRO 43 Cb 0.00 -1.94 1.74 0.00 0.04 0.00 0.00 34.50 34.34 2kc1 s PRO 43 CO 0.00 -1.16 2.12 -1.00 0.04 0.00 0.00 177.00 177.00 2kc1 h PRO 44 N 0.82 0.00 0.00 0.56 0.13 -1.98 -1.11 132.00 130.42 2kc1 h PRO 44 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kc1 h PRO 44 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kc1 h PRO 44 CO 0.55 0.00 -0.57 -1.71 -0.23 0.00 0.00 178.00 176.04 2kc1 n ASN 45 N -3.10 0.55 0.09 1.44 5.15 -1.26 -3.68 115.26 114.45 2kc1 n ASN 45 Ca -0.01 -0.22 -0.16 0.00 -0.60 0.00 0.00 54.58 53.60 2kc1 n ASN 45 Cb 0.22 0.30 -0.09 0.00 -0.53 0.00 0.00 39.78 39.68 2kc1 n ASN 45 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kc1 h ASP 46 N 0.00 0.53 -6.62 1.20 3.58 -1.56 -3.46 116.42 110.09 2kc1 h ASP 46 Ca 0.00 -0.49 -0.49 0.00 0.42 0.00 0.00 57.03 56.47 2kc1 h ASP 46 Cb 0.55 -0.17 0.03 0.00 1.72 0.00 0.00 39.33 41.46 2kc1 h ASP 46 CO 0.00 1.33 -0.06 0.49 -2.88 0.00 0.00 179.24 178.11 2kc1 n PHE 47 N -3.66 -2.30 -3.89 0.28 3.01 -1.21 -1.06 117.46 108.62 2kc1 n PHE 47 Ca -0.08 -2.15 0.01 0.00 1.01 0.00 0.00 57.45 56.23 2kc1 n PHE 47 Cb 0.93 -0.57 0.01 0.00 -0.01 0.00 0.00 39.48 39.85 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 -4.71 -0.10 -0.17 1.37 0.00 0.66 -4.58 107.32 99.80 2kc1 s GLY 48 Ca 0.62 0.03 -0.17 0.00 0.00 0.00 0.00 44.72 45.20 2kc1 s GLY 48 CO 0.40 3.68 0.45 1.08 0.00 0.00 0.00 173.10 178.71 2kc1 s LEU 49 N -3.54 4.20 -0.28 0.66 1.43 -1.26 -1.86 118.68 118.03 2kc1 s LEU 49 Ca 0.24 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 2kc1 s LEU 49 Cb -0.00 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.64 2kc1 s LEU 49 CO 0.01 -0.07 -0.03 0.12 0.23 0.00 0.00 176.35 176.60 2kc1 s PHE 50 N 1.14 3.19 -0.55 0.29 5.36 -0.37 -0.88 117.98 126.15 2kc1 s PHE 50 Ca 0.23 -1.79 -0.27 0.00 -0.96 0.00 0.00 56.93 54.14 2kc1 s PHE 50 Cb -0.15 -2.08 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 2kc1 s PHE 50 CO 0.09 -0.78 1.75 -1.17 -1.46 0.00 0.00 175.22 173.65 2kc1 s LEU 51 N 1.27 3.35 0.48 6.12 2.96 0.55 0.30 118.68 133.71 2kc1 s LEU 51 Ca -0.04 0.49 -0.22 0.00 -0.22 0.00 0.00 54.13 54.14 2kc1 s LEU 51 Cb -0.19 -2.81 -0.07 0.00 0.50 0.00 0.00 46.19 43.62 2kc1 s LEU 51 CO -0.03 -2.12 1.16 -0.44 -1.32 0.00 0.00 176.35 173.60 2kc1 s SER 52 N 6.95 6.09 0.00 3.68 0.01 -0.18 -2.48 113.70 127.77 2kc1 s SER 52 Ca 0.66 2.27 0.00 0.00 1.31 0.00 0.00 55.95 60.19 2kc1 s SER 52 Cb -0.14 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2kc1 s SER 52 CO 0.24 -0.97 0.00 -0.90 0.41 0.00 0.00 173.24 172.01 2kc1 n ASP 53 N -0.65 1.19 0.11 2.44 5.75 -1.26 -4.70 116.55 119.41 2kc1 n ASP 53 Ca 0.08 -0.66 -0.02 0.00 -0.01 0.00 0.00 54.79 54.18 2kc1 n ASP 53 Cb 0.49 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 2kc1 n ASP 53 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kc1 h ASP 54 N 0.00 0.00 -3.30 -1.12 3.58 -1.97 -3.41 116.42 110.19 2kc1 h ASP 54 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2kc1 h ASP 54 Cb 0.00 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.65 2kc1 h ASP 54 CO 0.00 0.73 -0.76 -0.62 -2.88 0.00 0.00 179.24 175.70 2kc1 s ASP 55 N -6.58 3.67 0.00 2.28 -1.08 -1.26 -5.02 116.67 108.68 2kc1 s ASP 55 Ca 0.02 -1.31 0.00 0.00 -0.52 0.00 0.00 52.55 50.74 2kc1 s ASP 55 Cb 0.09 -0.87 0.00 0.00 -1.46 0.00 0.00 42.92 40.68 2kc1 s ASP 55 CO 0.78 -0.34 0.23 -0.81 0.52 0.00 0.00 175.17 175.54 2kc1 n PRO 56 N 4.86 0.00 0.00 4.34 -0.04 -1.26 0.14 135.00 143.04 2kc1 n PRO 56 Ca -0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 2kc1 n PRO 56 Cb 0.44 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 2kc1 n PRO 56 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kc1 n LYS 57 N -0.69 0.34 0.03 0.54 4.81 -1.26 -4.17 118.16 117.76 2kc1 n LYS 57 Ca 0.00 -0.08 0.11 0.00 -0.87 0.00 0.00 58.31 57.47 2kc1 n LYS 57 Cb 0.00 -1.54 -0.10 0.00 0.02 0.00 0.00 35.03 33.41 2kc1 n LYS 57 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kc1 n LYS 58 N -1.93 0.59 -1.75 1.64 5.02 0.12 -4.93 118.16 116.91 2kc1 n LYS 58 Ca 0.00 -0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 55.83 2kc1 n LYS 58 Cb 0.45 -1.62 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 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 -4.34 2.88 0.10 0.72 0.00 -1.25 -4.93 107.32 100.50 2kc1 s GLY 59 Ca -0.04 1.31 0.09 0.00 0.00 0.00 0.00 44.72 46.08 2kc1 s GLY 59 CO 0.86 1.81 -0.23 -0.26 0.00 0.00 0.00 173.10 175.28 2kc1 s ILE 60 N -1.32 1.90 -0.08 0.90 -4.36 -1.04 -4.93 121.20 112.27 2kc1 s ILE 60 Ca 0.75 -1.56 -0.26 0.00 -0.26 0.00 0.00 60.65 59.32 2kc1 s ILE 60 Cb -0.40 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 2kc1 s ILE 60 CO 0.46 0.04 0.82 0.26 0.24 0.00 0.00 174.94 176.75 2kc1 s TRP 61 N -1.07 3.55 -0.03 1.37 0.52 -1.26 -0.33 118.94 121.69 2kc1 s TRP 61 Ca 0.09 1.37 -0.30 0.00 0.02 0.00 0.00 56.10 57.28 2kc1 s TRP 61 Cb -0.10 -2.96 -0.03 0.00 -1.15 0.00 0.00 33.47 29.23 2kc1 s TRP 61 CO 0.04 -0.04 1.13 -0.51 0.02 0.00 0.00 176.95 177.59 2kc1 s LEU 62 N 1.29 4.31 0.06 2.99 1.02 -0.06 -4.96 118.68 123.34 2kc1 s LEU 62 Ca 0.42 1.79 -0.30 0.00 0.02 0.00 0.00 54.13 56.05 2kc1 s LEU 62 Cb -0.18 -3.57 -0.05 0.00 0.02 0.00 0.00 46.19 42.41 2kc1 s LEU 62 CO 0.19 -0.48 1.15 -1.61 0.02 0.00 0.00 176.35 175.62 2kc1 s GLU 63 N 1.68 4.47 0.42 1.70 2.02 -1.26 -4.57 118.70 123.17 2kc1 s GLU 63 Ca 0.55 1.70 0.15 0.00 0.02 0.00 0.00 54.97 57.38 2kc1 s GLU 63 Cb -0.24 -3.36 1.02 0.00 0.10 0.00 0.00 34.13 31.65 2kc1 s GLU 63 CO 0.24 -0.18 1.91 0.00 0.02 0.00 0.00 175.26 177.25 2kc1 h ALA 64 N 6.60 2.08 -0.21 5.21 0.00 -1.94 0.16 119.26 131.15 2kc1 h ALA 64 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kc1 h ALA 64 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kc1 h ALA 64 CO 0.79 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2kc1 n GLY 65 N -1.51 0.02 3.82 0.00 0.00 -1.26 -1.22 105.19 105.04 2kc1 n GLY 65 Ca 0.15 -0.23 -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 -1.71 2.40 0.41 1.61 -0.14 0.54 -4.96 119.74 117.90 2kc1 s LYS 66 Ca 0.14 -1.67 0.08 0.00 -1.36 0.00 0.00 55.97 53.16 2kc1 s LYS 66 Cb 0.07 -2.21 -0.01 0.00 -1.68 0.00 0.00 37.83 34.01 2kc1 s LYS 66 CO 0.10 -0.16 0.46 0.00 -0.76 0.00 0.00 175.35 174.98 2kc1 s ALA 67 N -2.53 4.25 0.10 5.17 0.00 -1.26 0.28 121.76 127.77 2kc1 s ALA 67 Ca 0.45 -1.79 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 2kc1 s ALA 67 Cb -0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 23.12 21.75 2kc1 s ALA 67 CO 0.26 -0.24 1.41 -0.07 0.00 0.00 0.00 175.76 177.11 2kc1 h LEU 68 N 0.87 0.81 -2.03 0.00 3.38 -0.98 -2.97 115.31 114.39 2kc1 h LEU 68 Ca -0.41 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.06 2kc1 h LEU 68 Cb 1.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kc1 h LEU 68 CO 0.52 1.14 -0.01 -0.78 0.09 0.00 0.00 178.44 179.40 2kc1 h ASP 69 N 0.49 0.00 -0.90 -0.43 3.58 -1.60 -1.81 116.42 115.74 2kc1 h ASP 69 Ca 0.04 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.62 2kc1 h ASP 69 Cb 0.94 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.92 2kc1 h ASP 69 CO 0.09 0.01 0.58 0.22 -2.88 0.00 0.00 179.24 177.26 2kc1 h TYR 70 N 0.00 0.88 -0.02 0.28 3.20 -1.80 -0.76 116.97 118.76 2kc1 h TYR 70 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kc1 h TYR 70 Cb 0.02 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2kc1 h TYR 70 CO 0.00 0.34 -0.14 0.66 -1.64 0.00 0.00 178.16 177.38 2kc1 n TYR 71 N -4.57 0.00 -2.55 -3.82 4.01 -0.69 -4.95 117.16 104.58 2kc1 n TYR 71 Ca 0.17 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.70 2kc1 n TYR 71 Cb 0.43 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.52 -2.48 -2.20 -0.72 2.81 -0.29 -4.97 117.12 109.80 2kc1 n MET 72 Ca 0.14 0.99 -0.34 0.00 -1.81 0.00 0.00 57.70 56.68 2kc1 n MET 72 Cb 0.48 -5.70 0.00 0.00 -0.71 0.00 0.00 33.22 27.29 2kc1 n MET 72 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kc1 s LEU 73 N -6.20 3.64 0.00 4.03 0.05 -1.24 -5.05 118.68 113.91 2kc1 s LEU 73 Ca 0.07 1.96 0.03 0.00 0.05 0.00 0.00 54.13 56.25 2kc1 s LEU 73 Cb -0.03 -4.55 -0.01 0.00 -2.05 0.00 0.00 46.19 39.54 2kc1 s LEU 73 CO 0.09 -1.14 0.11 -2.11 -0.55 0.00 0.00 176.35 172.75 2kc1 n ARG 74 N -1.61 0.66 -2.37 1.48 1.85 -1.26 -4.89 116.66 110.52 2kc1 n ARG 74 Ca 0.10 -2.45 -0.43 0.00 -1.00 0.00 0.00 57.85 54.06 2kc1 n ARG 74 Cb 0.52 1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 33.28 2kc1 n ARG 74 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2kc1 s ASN 75 N -2.78 6.46 0.00 2.89 -0.87 -1.26 -1.84 114.94 117.54 2kc1 s ASN 75 Ca 0.15 0.99 0.00 0.00 -1.57 0.00 0.00 52.86 52.43 2kc1 s ASN 75 Cb 0.01 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 2kc1 s ASN 75 CO 0.11 -1.30 0.00 0.61 -2.57 0.00 0.00 177.10 173.95 2kc1 n GLY 76 N 4.79 1.40 3.75 0.66 0.00 0.16 -4.91 105.19 111.03 2kc1 n GLY 76 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.92 4.84 -0.16 1.61 -1.08 -0.77 -4.69 116.67 114.50 2kc1 s ASP 77 Ca 0.00 2.27 -0.01 0.00 -0.52 0.00 0.00 52.55 54.28 2kc1 s ASP 77 Cb 0.00 -2.58 -0.01 0.00 -1.46 0.00 0.00 42.92 38.86 2kc1 s ASP 77 CO 0.00 -1.83 -0.10 -0.89 0.52 0.00 0.00 175.17 172.88 2kc1 s THR 78 N -1.93 3.21 -0.06 1.71 2.01 -1.26 0.28 115.64 119.60 2kc1 s THR 78 Ca 0.73 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.18 2kc1 s THR 78 Cb -0.27 -2.38 0.01 0.00 0.01 0.00 0.00 72.50 69.86 2kc1 s THR 78 CO 0.39 0.50 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.62 2kc1 s MET 79 N 0.66 1.91 -0.45 4.92 -1.94 0.11 -1.01 119.30 123.50 2kc1 s MET 79 Ca -0.05 -0.55 -0.19 0.00 -1.71 0.00 0.00 55.69 53.19 2kc1 s MET 79 Cb -0.15 -1.57 0.03 0.00 2.01 0.00 0.00 34.83 35.15 2kc1 s MET 79 CO 0.02 0.13 0.55 -1.21 -0.01 0.00 0.00 175.02 174.50 2kc1 s GLU 80 N 0.38 3.15 -0.59 2.03 2.02 0.15 -0.07 118.70 125.77 2kc1 s GLU 80 Ca -0.11 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 2kc1 s GLU 80 Cb -0.14 -4.00 0.01 0.00 0.10 0.00 0.00 34.13 30.09 2kc1 s GLU 80 CO 0.04 -1.01 1.45 -0.47 0.02 0.00 0.00 175.26 175.30 2kc1 s TYR 81 N 2.45 2.21 0.20 1.61 6.14 -0.28 -1.24 117.35 128.43 2kc1 s TYR 81 Ca 0.16 0.44 -0.10 0.00 0.64 0.00 0.00 57.07 58.21 2kc1 s TYR 81 Cb -0.17 -4.39 -0.01 0.00 0.42 0.00 0.00 41.96 37.81 2kc1 s TYR 81 CO 0.14 -2.05 0.34 -0.98 0.64 0.00 0.00 175.55 173.65 2kc1 s ARG 82 N 5.71 1.30 0.24 4.97 1.70 -0.78 -2.96 118.95 129.14 2kc1 s ARG 82 Ca 0.52 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.24 2kc1 s ARG 82 Cb -0.11 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.57 2kc1 s ARG 82 CO 0.23 -0.50 1.53 0.21 -1.08 0.00 0.00 175.30 175.70 2kc1 s LYS 83 N -4.00 4.20 0.02 3.89 2.20 -1.26 -0.24 119.74 124.54 2kc1 s LYS 83 Ca 0.21 2.42 -0.30 0.00 -0.36 0.00 0.00 55.97 57.94 2kc1 s LYS 83 Cb 0.02 -3.09 -0.08 0.00 -1.51 0.00 0.00 37.83 33.17 2kc1 s LYS 83 CO 0.04 -0.55 1.96 0.15 -0.36 0.00 0.00 175.35 176.59 2kc1 s LYS 84 N 0.04 4.09 0.00 4.03 1.02 -0.23 -4.82 119.74 123.87 2kc1 s LYS 84 Ca 0.64 2.55 0.13 0.00 0.02 0.00 0.00 55.97 59.31 2kc1 s LYS 84 Cb -0.45 -4.16 0.10 0.00 -0.52 0.00 0.00 37.83 32.81 2kc1 s LYS 84 CO 0.41 -1.01 0.91 1.04 -0.92 0.00 0.00 175.35 175.79