#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 4.94 0.30 -0.61 2.07 -1.26 -5.07 121.20 121.57 2kc1 s ILE -4 Ca 0.00 1.28 -0.07 0.00 -1.41 0.00 0.00 60.65 60.45 2kc1 s ILE -4 Cb 0.00 -3.95 -0.06 0.00 0.13 0.00 0.00 42.46 38.58 2kc1 s ILE -4 CO 0.00 0.38 0.59 -1.81 -1.91 0.00 0.00 174.94 172.19 2kc1 s ASP -3 N 0.04 6.49 0.27 4.50 1.01 -1.26 -5.05 116.67 122.66 2kc1 s ASP -3 Ca 0.32 0.81 -0.30 0.00 0.71 0.00 0.00 52.55 54.10 2kc1 s ASP -3 Cb -0.18 -2.18 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 2kc1 s ASP -3 CO 0.17 -0.21 1.41 -2.84 0.21 0.00 0.00 175.17 173.92 2kc1 s PRO -2 N -3.47 4.28 -1.26 8.23 0.02 -1.26 -4.93 135.00 136.60 2kc1 s PRO -2 Ca 0.46 2.29 -0.13 0.00 0.02 0.00 0.00 61.00 63.63 2kc1 s PRO -2 Cb -0.11 -3.10 0.14 0.00 0.02 0.00 0.00 34.50 31.46 2kc1 s PRO -2 CO 0.29 -0.38 1.67 1.19 -0.33 0.00 0.00 177.00 179.43 2kc1 n PHE -1 N 2.00 4.28 0.54 6.54 3.72 -1.26 -4.52 117.46 128.76 2kc1 n PHE -1 Ca 0.05 -3.10 0.11 0.00 -0.05 0.00 0.00 57.45 54.47 2kc1 n PHE -1 Cb 0.41 -2.23 -0.05 0.00 -0.94 0.00 0.00 39.48 36.67 2kc1 n PHE -1 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2kc1 n THR 0 N 4.61 0.10 -2.50 4.37 -1.04 -1.26 -4.44 114.28 114.12 2kc1 n THR 0 Ca 0.41 -0.24 -0.41 0.00 -2.04 0.00 0.00 64.05 61.76 2kc1 n THR 0 Cb 0.41 0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 69.23 2kc1 n THR 0 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kc1 s MET 1 N -3.22 3.28 -1.54 -2.82 0.23 -1.26 -4.15 119.30 109.82 2kc1 s MET 1 Ca 0.02 0.10 -0.12 0.00 -1.03 0.00 0.00 55.69 54.66 2kc1 s MET 1 Cb 0.15 -4.13 0.12 0.00 -1.53 0.00 0.00 34.83 29.43 2kc1 s MET 1 CO 0.84 -2.00 0.29 1.33 -2.03 0.00 0.00 175.02 173.45 2kc1 n VAL 2 N 6.61 -0.40 -4.46 5.16 0.24 -1.26 -4.91 118.33 119.30 2kc1 n VAL 2 Ca 0.08 -0.20 -0.31 0.00 -2.04 0.00 0.00 64.34 61.86 2kc1 n VAL 2 Cb 0.49 -0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 32.11 2kc1 n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kc1 s ALA 3 N -3.56 2.89 -0.51 2.33 0.00 -1.26 -4.19 121.76 117.46 2kc1 s ALA 3 Ca 0.40 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 2kc1 s ALA 3 Cb -0.24 -0.96 0.09 0.00 0.00 0.00 0.00 23.12 22.01 2kc1 s ALA 3 CO 0.90 0.61 0.48 -0.51 0.00 0.00 0.00 175.76 177.24 2kc1 s LEU 4 N -1.62 5.71 -0.55 0.00 1.02 0.48 -4.73 118.68 118.99 2kc1 s LEU 4 Ca 0.17 -1.43 -0.20 0.00 0.02 0.00 0.00 54.13 52.69 2kc1 s LEU 4 Cb -0.11 -2.23 0.07 0.00 0.02 0.00 0.00 46.19 43.94 2kc1 s LEU 4 CO 0.08 -0.78 0.72 -0.44 0.02 0.00 0.00 176.35 175.95 2kc1 s SER 5 N 3.02 6.22 0.20 2.29 0.01 -1.26 -0.03 113.70 124.15 2kc1 s SER 5 Ca 0.06 -0.99 0.11 0.00 1.31 0.00 0.00 55.95 56.44 2kc1 s SER 5 Cb -0.25 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2kc1 s SER 5 CO 0.06 -1.05 -0.22 -0.76 0.41 0.00 0.00 173.24 171.68 2kc1 s LEU 6 N 2.96 2.51 -0.24 2.44 1.02 -0.03 -0.85 118.68 126.49 2kc1 s LEU 6 Ca 0.17 -0.86 -0.17 0.00 0.02 0.00 0.00 54.13 53.29 2kc1 s LEU 6 Cb -0.19 -1.21 -0.03 0.00 0.02 0.00 0.00 46.19 44.77 2kc1 s LEU 6 CO 0.11 0.11 0.46 -0.54 0.02 0.00 0.00 176.35 176.51 2kc1 s LYS 7 N -2.80 4.09 -0.24 1.70 1.02 0.13 -0.51 119.74 123.13 2kc1 s LYS 7 Ca 0.22 0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.38 2kc1 s LYS 7 Cb -0.08 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2kc1 s LYS 7 CO 0.11 -0.25 0.06 0.42 -0.92 0.00 0.00 175.35 174.77 2kc1 s ILE 8 N 1.98 4.30 -0.51 2.17 -1.09 0.17 0.19 121.20 128.42 2kc1 s ILE 8 Ca 0.20 -0.18 -0.19 0.00 -2.23 0.00 0.00 60.65 58.24 2kc1 s ILE 8 Cb -0.15 -3.00 0.06 0.00 -1.58 0.00 0.00 42.46 37.78 2kc1 s ILE 8 CO 0.09 0.35 0.64 -0.55 -1.23 0.00 0.00 174.94 174.25 2kc1 s SER 9 N 1.49 6.23 -0.54 3.58 0.15 0.12 -0.28 113.70 124.46 2kc1 s SER 9 Ca 0.06 -0.86 -0.13 0.00 0.70 0.00 0.00 55.95 55.71 2kc1 s SER 9 Cb -0.15 -2.30 0.13 0.00 -1.71 0.00 0.00 66.02 61.99 2kc1 s SER 9 CO 0.03 -0.91 0.46 -0.63 1.20 0.00 0.00 173.24 173.39 2kc1 s ILE 10 N 2.71 4.83 0.00 6.45 1.01 0.54 -0.81 121.20 135.93 2kc1 s ILE 10 Ca 0.16 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 59.10 2kc1 s ILE 10 Cb -0.19 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2kc1 s ILE 10 CO 0.12 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.83 2kc1 n GLY 11 N 4.99 1.03 0.17 6.18 0.00 -1.26 -0.81 105.19 115.49 2kc1 n GLY 11 Ca -0.09 0.34 0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 8.18 1.76 -4.22 1.61 4.13 -1.26 -4.93 115.26 120.52 2kc1 n ASN 12 Ca 0.00 -1.55 -0.39 0.00 1.68 0.00 0.00 54.58 54.32 2kc1 n ASN 12 Cb 0.00 -0.03 -0.11 0.00 -1.54 0.00 0.00 39.78 38.10 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2kc1 s VAL 13 N -0.63 3.89 -0.27 2.41 1.01 0.01 -5.06 120.40 121.77 2kc1 s VAL 13 Ca 0.05 -1.56 -0.14 0.00 0.00 0.00 0.00 61.98 60.34 2kc1 s VAL 13 Cb 0.03 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2kc1 s VAL 13 CO 0.05 -0.52 0.31 -0.69 0.00 0.00 0.00 175.10 174.25 2kc1 s VAL 14 N 1.34 5.23 -0.00 2.92 1.01 -1.26 -0.34 120.40 129.30 2kc1 s VAL 14 Ca 0.03 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.49 2kc1 s VAL 14 Cb -0.23 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2kc1 s VAL 14 CO 0.00 0.20 -0.10 -0.54 0.00 0.00 0.00 175.10 174.66 2kc1 s LYS 15 N 1.86 0.83 -0.12 2.72 -0.14 0.62 -4.91 119.74 120.60 2kc1 s LYS 15 Ca 0.13 -0.39 -0.21 0.00 -1.36 0.00 0.00 55.97 54.13 2kc1 s LYS 15 Cb -0.16 -0.80 -0.04 0.00 -1.68 0.00 0.00 37.83 35.16 2kc1 s LYS 15 CO 0.10 0.22 0.61 0.99 -0.76 0.00 0.00 175.35 176.51 2kc1 s THR 16 N -0.29 5.09 0.11 2.17 2.01 -1.26 0.46 115.64 123.93 2kc1 s THR 16 Ca 0.04 1.22 0.06 0.00 0.31 0.00 0.00 61.69 63.32 2kc1 s THR 16 Cb -0.04 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2kc1 s THR 16 CO -0.00 0.24 -0.14 -0.04 -0.69 0.00 0.00 174.62 173.99 2kc1 s MET 17 N 1.02 0.98 -0.25 4.92 -1.94 0.33 -4.95 119.30 119.41 2kc1 s MET 17 Ca 0.32 -1.18 -0.05 0.00 -1.71 0.00 0.00 55.69 53.07 2kc1 s MET 17 Cb -0.16 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.78 2kc1 s MET 17 CO 0.14 0.18 0.01 -0.65 -0.01 0.00 0.00 175.02 174.68 2kc1 s GLN 18 N -2.48 3.23 0.46 2.03 -0.21 -1.26 -0.85 119.66 120.58 2kc1 s GLN 18 Ca 0.07 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.78 2kc1 s GLN 18 Cb -0.06 -3.16 -0.00 0.00 1.00 0.00 0.00 33.01 30.79 2kc1 s GLN 18 CO 0.03 -0.31 0.39 -0.06 -2.12 0.00 0.00 175.29 173.21 2kc1 s PHE 19 N 1.48 2.34 0.13 0.91 0.40 0.96 -4.87 117.98 119.32 2kc1 s PHE 19 Ca 0.04 -0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 55.71 2kc1 s PHE 19 Cb -0.16 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 2kc1 s PHE 19 CO -0.01 -0.24 0.37 -1.21 0.70 0.00 0.00 175.22 174.83 2kc1 s GLU 20 N -4.17 3.62 0.27 0.44 0.41 -1.26 -0.39 118.70 117.61 2kc1 s GLU 20 Ca 0.44 -0.09 -0.03 0.00 -0.41 0.00 0.00 54.97 54.88 2kc1 s GLU 20 Cb -0.02 -2.87 0.34 0.00 -1.78 0.00 0.00 34.13 29.79 2kc1 s GLU 20 CO 0.26 0.49 1.83 -1.00 -0.49 0.00 0.00 175.26 176.35 2kc1 h PRO 21 N 2.93 0.97 -0.55 0.39 0.13 -1.96 -2.46 132.00 131.45 2kc1 h PRO 21 Ca -0.46 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2kc1 h PRO 21 Cb 1.17 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2kc1 h PRO 21 CO 0.72 0.80 0.00 0.43 -0.23 0.00 0.00 178.00 179.72 2kc1 n SER 22 N -4.30 1.87 -4.67 1.44 7.64 -1.26 -2.75 113.62 111.60 2kc1 n SER 22 Ca 0.06 -2.15 -0.43 0.00 1.01 0.00 0.00 58.87 57.36 2kc1 n SER 22 Cb 0.19 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.62 4.37 0.47 0.44 2.01 -0.93 -4.89 115.64 115.49 2kc1 s THR 23 Ca 0.16 1.66 -0.24 0.00 0.31 0.00 0.00 61.69 63.59 2kc1 s THR 23 Cb 0.11 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.47 2kc1 s THR 23 CO 0.08 -0.10 1.33 -0.04 -0.69 0.00 0.00 174.62 175.20 2kc1 s MET 24 N 3.02 3.60 0.25 4.92 -1.94 -1.26 -1.36 119.30 126.53 2kc1 s MET 24 Ca 0.53 2.19 -0.04 0.00 -1.71 0.00 0.00 55.69 56.65 2kc1 s MET 24 Cb -0.21 -2.52 0.35 0.00 2.01 0.00 0.00 34.83 34.46 2kc1 s MET 24 CO 0.15 -0.80 1.88 0.28 -0.01 0.00 0.00 175.02 176.52 2kc1 h VAL 25 N 2.01 1.11 0.00 -6.03 2.07 -0.72 0.23 116.25 114.92 2kc1 h VAL 25 Ca -0.50 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 2kc1 h VAL 25 Cb 1.27 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2kc1 h VAL 25 CO 0.60 0.21 -0.27 0.10 0.02 0.00 0.00 177.57 178.23 2kc1 h TYR 26 N 1.15 0.00 0.00 1.57 -0.00 -1.81 0.40 116.97 118.27 2kc1 h TYR 26 Ca 0.40 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.93 2kc1 h TYR 26 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.80 2kc1 h TYR 26 CO -0.01 0.27 -0.96 0.22 -0.00 0.00 0.00 178.16 177.68 2kc1 h ASP 27 N 0.00 0.00 -0.43 0.10 3.58 -1.29 -0.15 116.42 118.22 2kc1 h ASP 27 Ca -0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 2kc1 h ASP 27 Cb 0.54 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2kc1 h ASP 27 CO 0.04 0.95 -0.22 0.00 -2.88 0.00 0.00 179.24 177.13 2kc1 h ALA 28 N 1.05 0.61 -0.54 -0.78 0.00 0.02 0.13 119.26 119.76 2kc1 h ALA 28 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2kc1 h ALA 28 Cb 1.74 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2kc1 h ALA 28 CO 0.12 0.59 0.18 0.00 0.00 0.00 0.00 179.25 180.14 2kc1 h ARG 30 N 0.78 1.20 -0.18 0.00 2.43 -0.59 -2.02 114.38 116.00 2kc1 h ARG 30 Ca 0.18 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2kc1 h ARG 30 Cb 0.22 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2kc1 h ARG 30 CO -0.01 0.94 0.04 0.52 -1.51 0.00 0.00 179.97 179.96 2kc1 h MET 31 N 1.18 0.28 -0.44 0.20 2.86 -0.07 -3.04 114.93 115.90 2kc1 h MET 31 Ca 0.28 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 2kc1 h MET 31 Cb 0.16 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.72 2kc1 h MET 31 CO -0.03 0.42 0.04 0.82 1.06 0.00 0.00 176.91 179.22 2kc1 h ILE 32 N 0.10 0.71 -0.60 -1.22 1.08 -0.60 0.21 117.51 117.19 2kc1 h ILE 32 Ca 0.06 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2kc1 h ILE 32 Cb 0.26 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 2kc1 h ILE 32 CO 0.00 0.03 0.24 0.08 -0.69 0.00 0.00 178.15 177.81 2kc1 h ARG 33 N 0.16 0.90 0.00 2.37 0.11 -1.40 0.25 114.38 116.77 2kc1 h ARG 33 Ca 0.22 -0.16 -0.10 0.00 0.10 0.00 0.00 59.98 60.04 2kc1 h ARG 33 Cb 0.30 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.22 2kc1 h ARG 33 CO -0.33 0.77 -0.73 0.93 0.10 0.00 0.00 179.97 180.71 2kc1 h GLU 34 N 0.84 0.00 0.08 0.08 5.08 -1.33 -3.29 114.58 116.04 2kc1 h GLU 34 Ca 0.20 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.25 2kc1 h GLU 34 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2kc1 h GLU 34 CO -0.02 0.35 -1.67 0.00 -1.00 0.00 0.00 179.01 176.67 2kc1 h ARG 35 N 0.00 0.17 -4.53 2.33 2.47 -0.50 -3.45 114.38 110.88 2kc1 h ARG 35 Ca -0.04 -0.29 -0.58 0.00 -1.26 0.00 0.00 59.98 57.80 2kc1 h ARG 35 Cb 1.36 0.11 -0.36 0.00 -1.65 0.00 0.00 29.97 29.43 2kc1 h ARG 35 CO 0.05 0.95 -0.82 0.42 0.56 0.00 0.00 179.97 181.13 2kc1 s ILE 36 N -2.60 1.43 -0.47 2.04 1.01 0.85 -5.01 121.20 118.45 2kc1 s ILE 36 Ca -0.10 -0.59 0.24 0.00 0.00 0.00 0.00 60.65 60.20 2kc1 s ILE 36 Cb 0.07 -1.39 0.26 0.00 0.01 0.00 0.00 42.46 41.41 2kc1 s ILE 36 CO 0.82 0.39 1.73 -0.81 0.00 0.00 0.00 174.94 177.07 2kc1 n PRO 37 N 4.81 0.21 0.23 2.79 -0.04 -1.25 -2.64 135.00 139.11 2kc1 n PRO 37 Ca -0.15 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.79 2kc1 n PRO 37 Cb 0.50 -1.89 0.53 0.00 -0.04 0.00 0.00 33.50 32.60 2kc1 n PRO 37 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kc1 h GLU 38 N 0.00 0.00 -0.00 0.54 4.39 -1.89 -1.29 114.58 116.33 2kc1 h GLU 38 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kc1 h GLU 38 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2kc1 h GLU 38 CO 0.00 0.20 -0.25 0.00 -1.16 0.00 0.00 179.01 177.80 2kc1 n ALA 39 N -2.45 2.99 -2.45 3.43 0.00 -1.08 -4.61 120.51 116.34 2kc1 n ALA 39 Ca -0.02 -0.26 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 2kc1 n ALA 39 Cb 0.27 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 2kc1 n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kc1 n LEU 40 N -1.31 4.64 -0.57 0.00 4.77 -0.49 -4.27 117.00 119.77 2kc1 n LEU 40 Ca 0.08 -3.78 0.00 0.00 -0.03 0.00 0.00 56.01 52.28 2kc1 n LEU 40 Cb 0.32 -1.74 -0.00 0.00 -2.33 0.00 0.00 43.42 39.67 2kc1 n LEU 40 CO 0.29 -0.20 0.24 0.00 -1.33 0.00 0.00 177.39 176.40 2kc1 n ALA 41 N 9.46 2.06 0.00 -1.18 0.00 -1.26 -5.08 120.51 124.51 2kc1 n ALA 41 Ca 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2kc1 n ALA 41 Cb 0.46 -0.39 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 0.03 -1.78 3.79 0.00 0.00 -1.26 -5.12 105.19 100.85 2kc1 n GLY 42 Ca -0.00 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.82 4.28 0.19 1.61 0.04 -1.26 -4.94 135.00 133.09 2kc1 s PRO 43 Ca 0.00 1.33 0.19 0.00 0.04 0.00 0.00 61.00 62.56 2kc1 s PRO 43 Cb 0.00 -2.48 0.84 0.00 0.04 0.00 0.00 34.50 32.90 2kc1 s PRO 43 CO 0.00 -0.01 1.58 -2.30 0.04 0.00 0.00 177.00 176.31 2kc1 n PRO 44 N -0.12 0.12 0.00 0.56 -0.02 -1.26 -1.01 135.00 133.28 2kc1 n PRO 44 Ca 0.05 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 2kc1 n PRO 44 Cb 0.51 -1.77 0.16 0.00 -0.02 0.00 0.00 33.50 32.38 2kc1 n PRO 44 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kc1 n ASN 45 N -2.01 0.71 0.02 2.55 4.13 -1.26 -3.81 115.26 115.60 2kc1 n ASN 45 Ca 0.02 -0.53 -0.16 0.00 1.68 0.00 0.00 54.58 55.59 2kc1 n ASN 45 Cb 0.16 0.44 -0.14 0.00 -1.54 0.00 0.00 39.78 38.70 2kc1 n ASN 45 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 2kc1 h ASP 46 N 0.16 0.29 -3.67 6.41 3.58 -1.46 -3.46 116.42 118.27 2kc1 h ASP 46 Ca 0.00 -0.54 -0.15 0.00 0.42 0.00 0.00 57.03 56.75 2kc1 h ASP 46 Cb 0.51 -0.09 0.04 0.00 1.72 0.00 0.00 39.33 41.50 2kc1 h ASP 46 CO 0.00 1.48 0.07 0.49 -2.88 0.00 0.00 179.24 178.39 2kc1 n PHE 47 N -3.35 -3.43 -3.76 0.28 3.01 -1.13 -1.11 117.46 107.98 2kc1 n PHE 47 Ca -0.22 -0.55 0.02 0.00 1.01 0.00 0.00 57.45 57.71 2kc1 n PHE 47 Cb 1.05 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 40.25 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 -3.48 -0.31 -0.13 1.37 0.00 0.48 -4.48 107.32 100.77 2kc1 s GLY 48 Ca 0.23 0.47 -0.16 0.00 0.00 0.00 0.00 44.72 45.26 2kc1 s GLY 48 CO 0.16 2.34 0.39 1.08 0.00 0.00 0.00 173.10 177.07 2kc1 s LEU 49 N -3.32 4.27 -0.26 0.66 1.43 -1.26 -1.77 118.68 118.44 2kc1 s LEU 49 Ca 0.20 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 2kc1 s LEU 49 Cb 0.03 -2.54 0.06 0.00 0.03 0.00 0.00 46.19 43.77 2kc1 s LEU 49 CO -0.03 0.06 -0.11 0.12 0.23 0.00 0.00 176.35 176.63 2kc1 s PHE 50 N 0.45 3.23 -0.36 0.29 5.36 -0.55 -1.01 117.98 125.39 2kc1 s PHE 50 Ca 0.22 -2.31 -0.28 0.00 -0.96 0.00 0.00 56.93 53.60 2kc1 s PHE 50 Cb -0.14 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 2kc1 s PHE 50 CO 0.08 -0.88 1.80 -1.17 -1.46 0.00 0.00 175.22 173.59 2kc1 s LEU 51 N 1.11 3.48 0.24 6.12 2.96 0.58 0.60 118.68 133.78 2kc1 s LEU 51 Ca -0.09 1.18 -0.16 0.00 -0.22 0.00 0.00 54.13 54.84 2kc1 s LEU 51 Cb -0.20 -3.39 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 2kc1 s LEU 51 CO -0.05 -1.79 0.68 -0.94 -1.32 0.00 0.00 176.35 172.93 2kc1 s SER 52 N 6.33 6.88 0.15 3.68 1.04 -0.66 -2.34 113.70 128.77 2kc1 s SER 52 Ca 0.78 1.27 -0.13 0.00 0.48 0.00 0.00 55.95 58.35 2kc1 s SER 52 Cb -0.21 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.56 2kc1 s SER 52 CO 0.32 -0.05 0.36 -0.62 0.98 0.00 0.00 173.24 174.23 2kc1 s ASP 53 N -1.94 -0.10 0.54 7.02 -1.08 -1.26 -4.67 116.67 115.18 2kc1 s ASP 53 Ca 0.46 -0.57 0.32 0.00 -0.52 0.00 0.00 52.55 52.24 2kc1 s ASP 53 Cb -0.14 0.46 1.39 0.00 -1.46 0.00 0.00 42.92 43.18 2kc1 s ASP 53 CO 0.19 -0.89 2.00 -2.24 0.52 0.00 0.00 175.17 174.75 2kc1 h ASP 54 N 2.44 0.00 -3.65 -0.34 2.03 -1.98 -3.40 116.42 111.52 2kc1 h ASP 54 Ca -0.32 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.36 2kc1 h ASP 54 Cb 1.24 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.60 2kc1 h ASP 54 CO 0.47 0.05 -0.38 -0.62 -1.03 0.00 0.00 179.24 177.73 2kc1 s ASP 55 N -5.78 6.20 0.26 4.15 2.15 -1.26 -4.97 116.67 117.43 2kc1 s ASP 55 Ca 0.00 0.22 0.21 0.00 0.43 0.00 0.00 52.55 53.42 2kc1 s ASP 55 Cb 0.10 -2.16 1.01 0.00 -0.30 0.00 0.00 42.92 41.56 2kc1 s ASP 55 CO 0.55 -0.05 1.65 -0.81 -0.17 0.00 0.00 175.17 176.35 2kc1 n PRO 56 N 4.72 0.16 0.05 4.34 -0.04 -1.26 -1.62 135.00 141.34 2kc1 n PRO 56 Ca -0.12 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2kc1 n PRO 56 Cb 0.51 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 2kc1 n PRO 56 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2kc1 h LYS 57 N 0.00 0.00 0.00 0.54 1.79 -1.93 -3.21 116.57 113.76 2kc1 h LYS 57 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2kc1 h LYS 57 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2kc1 h LYS 57 CO 0.00 0.36 -0.24 0.87 -1.08 0.00 0.00 179.45 179.37 2kc1 h LYS 58 N 0.00 0.00 -6.35 3.15 1.79 -1.68 -3.43 116.57 110.05 2kc1 h LYS 58 Ca -0.13 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.77 2kc1 h LYS 58 Cb 1.56 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.17 2kc1 h LYS 58 CO 0.05 0.24 1.16 0.20 -1.08 0.00 0.00 179.45 180.02 2kc1 s GLY 59 N -4.31 1.04 0.13 3.86 0.00 -1.03 -4.77 107.32 102.23 2kc1 s GLY 59 Ca 0.04 0.22 0.06 0.00 0.00 0.00 0.00 44.72 45.04 2kc1 s GLY 59 CO 0.68 3.02 -0.14 -0.26 0.00 0.00 0.00 173.10 176.40 2kc1 s ILE 60 N 5.82 1.34 -0.02 0.90 -4.36 -0.99 -4.94 121.20 118.95 2kc1 s ILE 60 Ca 0.71 -1.76 -0.21 0.00 -0.26 0.00 0.00 60.65 59.14 2kc1 s ILE 60 Cb -0.21 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.88 2kc1 s ILE 60 CO 0.31 -0.44 0.61 0.26 0.24 0.00 0.00 174.94 175.93 2kc1 s TRP 61 N -2.23 3.66 -0.10 1.37 0.52 -1.26 -0.31 118.94 120.59 2kc1 s TRP 61 Ca 0.10 1.20 -0.25 0.00 0.02 0.00 0.00 56.10 57.16 2kc1 s TRP 61 Cb -0.04 -2.65 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 2kc1 s TRP 61 CO 0.03 0.29 0.81 -0.51 0.02 0.00 0.00 176.95 177.59 2kc1 s LEU 62 N 0.03 4.26 0.21 2.99 1.02 -0.18 -4.96 118.68 122.06 2kc1 s LEU 62 Ca 0.32 1.27 -0.30 0.00 0.02 0.00 0.00 54.13 55.44 2kc1 s LEU 62 Cb -0.18 -3.24 -0.08 0.00 0.02 0.00 0.00 46.19 42.71 2kc1 s LEU 62 CO 0.17 -0.27 1.17 -1.61 0.02 0.00 0.00 176.35 175.83 2kc1 s GLU 63 N 1.44 4.53 0.36 1.70 2.02 -1.26 -4.53 118.70 122.96 2kc1 s GLU 63 Ca 0.41 1.85 0.08 0.00 0.02 0.00 0.00 54.97 57.32 2kc1 s GLU 63 Cb -0.18 -3.23 0.78 0.00 0.10 0.00 0.00 34.13 31.61 2kc1 s GLU 63 CO 0.17 -0.01 1.91 0.00 0.02 0.00 0.00 175.26 177.36 2kc1 h ALA 64 N 4.85 1.78 -0.22 5.21 0.00 -1.96 -1.12 119.26 127.81 2kc1 h ALA 64 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kc1 h ALA 64 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2kc1 h ALA 64 CO 0.72 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2kc1 n GLY 65 N -1.44 1.15 3.57 0.00 0.00 -1.26 -2.98 105.19 104.22 2kc1 n GLY 65 Ca 0.14 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.63 2.02 0.49 1.61 -0.14 -0.42 -4.98 119.74 116.69 2kc1 s LYS 66 Ca 0.17 -1.48 -0.04 0.00 -1.36 0.00 0.00 55.97 53.27 2kc1 s LYS 66 Cb 0.11 -2.04 -0.02 0.00 -1.68 0.00 0.00 37.83 34.20 2kc1 s LYS 66 CO 0.08 0.38 0.77 0.00 -0.76 0.00 0.00 175.35 175.81 2kc1 s ALA 67 N -2.17 3.46 0.36 5.17 0.00 -1.26 -0.54 121.76 126.78 2kc1 s ALA 67 Ca 0.29 -0.66 0.11 0.00 0.00 0.00 0.00 51.96 51.69 2kc1 s ALA 67 Cb -0.07 -2.48 0.69 0.00 0.00 0.00 0.00 23.12 21.26 2kc1 s ALA 67 CO 0.17 -0.41 1.83 -0.07 0.00 0.00 0.00 175.76 177.27 2kc1 h LEU 68 N 0.22 0.12 -1.56 0.00 3.38 -1.28 -1.95 115.31 114.23 2kc1 h LEU 68 Ca -0.47 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 2kc1 h LEU 68 Cb 1.22 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2kc1 h LEU 68 CO 0.61 0.43 -0.23 -0.78 0.09 0.00 0.00 178.44 178.56 2kc1 h ASP 69 N 0.10 0.00 -0.61 -0.43 3.58 -1.80 -2.83 116.42 114.44 2kc1 h ASP 69 Ca 0.01 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.54 2kc1 h ASP 69 Cb 0.61 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 2kc1 h ASP 69 CO 0.04 0.23 0.40 0.22 -2.88 0.00 0.00 179.24 177.26 2kc1 h TYR 70 N 0.00 0.54 -0.62 0.28 3.20 -1.65 -0.88 116.97 117.84 2kc1 h TYR 70 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2kc1 h TYR 70 Cb 0.48 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2kc1 h TYR 70 CO 0.00 0.27 0.00 0.66 -1.64 0.00 0.00 178.16 177.45 2kc1 n TYR 71 N -4.48 1.04 -3.44 -3.82 4.01 -1.07 -4.92 117.16 104.48 2kc1 n TYR 71 Ca 0.09 -0.47 -0.24 0.00 -0.16 0.00 0.00 57.90 57.12 2kc1 n TYR 71 Cb 0.29 -0.09 0.05 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.24 -6.29 -2.48 -0.72 2.81 -0.33 -4.95 117.12 106.40 2kc1 n MET 72 Ca 0.22 0.80 -0.38 0.00 -1.81 0.00 0.00 57.70 56.53 2kc1 n MET 72 Cb 0.64 -5.74 -0.04 0.00 -0.71 0.00 0.00 33.22 27.37 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 -7.06 4.29 0.00 4.03 1.43 -1.21 -5.05 118.68 115.12 2kc1 s LEU 73 Ca 0.50 2.17 0.07 0.00 -1.03 0.00 0.00 54.13 55.84 2kc1 s LEU 73 Cb -0.23 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 2kc1 s LEU 73 CO 0.61 -0.40 0.30 0.54 0.23 0.00 0.00 176.35 177.63 2kc1 n ARG 74 N 0.39 0.44 -2.06 1.70 1.74 -1.26 -4.86 116.66 112.74 2kc1 n ARG 74 Ca 0.03 -3.35 -0.42 0.00 -0.77 0.00 0.00 57.85 53.34 2kc1 n ARG 74 Cb 0.47 2.78 -0.03 0.00 -1.02 0.00 0.00 32.46 34.66 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 -3.36 6.72 0.00 0.55 2.20 -1.25 -2.66 114.94 117.14 2kc1 s ASN 75 Ca 0.40 2.49 0.00 0.00 -0.94 0.00 0.00 52.86 54.81 2kc1 s ASN 75 Cb 0.02 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.67 2kc1 s ASN 75 CO 0.28 -0.71 0.00 0.61 -2.94 0.00 0.00 177.10 174.34 2kc1 n GLY 76 N 3.29 2.01 3.79 0.45 0.00 -0.03 -4.96 105.19 109.74 2kc1 n GLY 76 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.53 5.79 -0.09 1.61 1.01 -1.09 -4.78 116.67 117.60 2kc1 s ASP 77 Ca 0.00 2.00 0.04 0.00 0.71 0.00 0.00 52.55 55.30 2kc1 s ASP 77 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2kc1 s ASP 77 CO 0.00 -1.16 -0.20 -0.89 0.21 0.00 0.00 175.17 173.12 2kc1 s THR 78 N -2.07 2.42 0.03 -1.27 2.01 -1.26 -0.70 115.64 114.80 2kc1 s THR 78 Ca 0.68 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2kc1 s THR 78 Cb -0.20 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2kc1 s THR 78 CO 0.30 0.56 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.60 2kc1 s MET 79 N 0.09 0.99 -0.40 4.92 -1.94 0.13 -1.66 119.30 121.43 2kc1 s MET 79 Ca -0.09 -0.71 -0.11 0.00 -1.71 0.00 0.00 55.69 53.06 2kc1 s MET 79 Cb -0.15 -1.00 0.04 0.00 2.01 0.00 0.00 34.83 35.73 2kc1 s MET 79 CO 0.06 0.25 0.24 -1.21 -0.01 0.00 0.00 175.02 174.35 2kc1 s GLU 80 N -0.98 2.78 -0.53 2.03 2.02 0.20 0.10 118.70 124.33 2kc1 s GLU 80 Ca 0.03 -1.20 -0.28 0.00 0.02 0.00 0.00 54.97 53.53 2kc1 s GLU 80 Cb -0.07 -3.78 0.01 0.00 0.10 0.00 0.00 34.13 30.38 2kc1 s GLU 80 CO 0.01 -0.80 1.43 -0.47 0.02 0.00 0.00 175.26 175.46 2kc1 s TYR 81 N 1.53 2.28 0.07 1.61 6.14 0.01 -1.48 117.35 127.51 2kc1 s TYR 81 Ca 0.02 0.53 -0.05 0.00 0.64 0.00 0.00 57.07 58.21 2kc1 s TYR 81 Cb -0.21 -4.36 -0.02 0.00 0.42 0.00 0.00 41.96 37.79 2kc1 s TYR 81 CO 0.06 -2.00 0.09 -0.98 0.64 0.00 0.00 175.55 173.35 2kc1 s ARG 82 N 5.44 0.72 0.30 4.97 1.70 -0.73 -4.12 118.95 127.23 2kc1 s ARG 82 Ca 0.55 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 54.47 2kc1 s ARG 82 Cb -0.12 0.28 -0.12 0.00 -0.57 0.00 0.00 34.95 34.42 2kc1 s ARG 82 CO 0.27 -0.19 1.54 1.17 -1.08 0.00 0.00 175.30 177.00 2kc1 n LYS 83 N 0.09 2.56 -1.68 3.89 4.81 -1.26 -0.38 118.16 126.19 2kc1 n LYS 83 Ca -0.15 0.91 -0.44 0.00 -0.87 0.00 0.00 58.31 57.76 2kc1 n LYS 83 Cb 0.61 -2.66 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 2kc1 n LYS 83 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kc1 n LYS 84 N 1.83 2.56 -0.58 1.64 5.02 -0.27 -4.81 118.16 123.56 2kc1 n LYS 84 Ca 0.08 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2kc1 n LYS 84 Cb 0.36 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 2kc1 n LYS 84 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92