#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 2.48 0.01 -0.61 -4.36 -1.26 -5.10 121.20 112.37 2kc1 s ILE -4 Ca 0.00 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 58.90 2kc1 s ILE -4 Cb 0.00 -2.34 -0.06 0.00 1.25 0.00 0.00 42.46 41.31 2kc1 s ILE -4 CO 0.00 0.10 0.46 -0.62 0.24 0.00 0.00 174.94 175.12 2kc1 s ASP -3 N 1.21 6.87 0.00 4.36 2.15 -1.26 -4.96 116.67 125.04 2kc1 s ASP -3 Ca -0.04 1.04 0.03 0.00 0.43 0.00 0.00 52.55 54.01 2kc1 s ASP -3 Cb -0.18 -2.28 0.19 0.00 -0.30 0.00 0.00 42.92 40.35 2kc1 s ASP -3 CO -0.05 0.29 0.63 -0.81 -0.17 0.00 0.00 175.17 175.06 2kc1 n PRO -2 N 1.90 0.43 -2.04 4.34 -0.04 -1.26 -4.88 135.00 133.45 2kc1 n PRO -2 Ca -0.13 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.31 2kc1 n PRO -2 Cb 0.52 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.84 2kc1 n PRO -2 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2kc1 n PHE -1 N -0.62 -2.20 -3.50 0.54 3.72 -1.26 -5.08 117.46 109.06 2kc1 n PHE -1 Ca 0.02 1.26 -0.10 0.00 -0.05 0.00 0.00 57.45 58.59 2kc1 n PHE -1 Cb 0.01 -2.70 -0.09 0.00 -0.94 0.00 0.00 39.48 35.76 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 -0.36 -0.59 0.00 4.37 2.01 -1.26 -4.97 115.64 114.84 2kc1 s THR 0 Ca -0.13 0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2kc1 s THR 0 Cb 0.01 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.80 2kc1 s THR 0 CO 0.39 -0.03 0.00 0.23 -0.69 0.00 0.00 174.62 174.52 2kc1 n MET 1 N 5.37 0.00 -1.70 4.92 2.81 -1.26 -4.57 117.12 122.69 2kc1 n MET 1 Ca -0.06 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.43 2kc1 n MET 1 Cb 0.50 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.00 2kc1 n MET 1 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2kc1 n VAL 2 N 0.00 4.30 -3.78 2.03 0.31 -1.26 -4.83 118.33 115.10 2kc1 n VAL 2 Ca 0.00 -3.31 -0.13 0.00 -0.01 0.00 0.00 64.34 60.88 2kc1 n VAL 2 Cb 0.00 -2.47 -0.14 0.00 -0.91 0.00 0.00 33.84 30.32 2kc1 n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kc1 s ALA 3 N 1.48 -0.25 -0.47 3.52 0.00 -1.26 -4.48 121.76 120.30 2kc1 s ALA 3 Ca 0.57 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 2kc1 s ALA 3 Cb 0.16 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 23.02 2kc1 s ALA 3 CO -0.07 -0.12 0.38 -0.51 0.00 0.00 0.00 175.76 175.45 2kc1 s LEU 4 N 0.76 5.62 -0.63 0.00 1.43 0.19 -4.78 118.68 121.28 2kc1 s LEU 4 Ca -0.06 -1.49 -0.24 0.00 -1.03 0.00 0.00 54.13 51.32 2kc1 s LEU 4 Cb -0.08 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.06 2kc1 s LEU 4 CO -0.04 -0.66 1.01 -0.44 0.23 0.00 0.00 176.35 176.45 2kc1 s SER 5 N 2.67 6.24 0.21 2.29 0.01 -1.26 -0.27 113.70 123.59 2kc1 s SER 5 Ca 0.04 -0.64 0.09 0.00 1.31 0.00 0.00 55.95 56.75 2kc1 s SER 5 Cb -0.25 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 2kc1 s SER 5 CO 0.04 -1.42 -0.08 -0.76 0.41 0.00 0.00 173.24 171.44 2kc1 s LEU 6 N 4.29 3.01 -0.50 2.44 1.02 0.31 -0.48 118.68 128.76 2kc1 s LEU 6 Ca 0.28 -0.63 -0.19 0.00 0.02 0.00 0.00 54.13 53.60 2kc1 s LEU 6 Cb -0.14 -1.63 0.06 0.00 0.02 0.00 0.00 46.19 44.50 2kc1 s LEU 6 CO 0.15 0.07 0.62 -0.54 0.02 0.00 0.00 176.35 176.67 2kc1 s LYS 7 N -3.12 3.13 -0.46 1.70 1.02 0.36 -0.07 119.74 122.29 2kc1 s LYS 7 Ca 0.27 -0.87 -0.22 0.00 0.02 0.00 0.00 55.97 55.17 2kc1 s LYS 7 Cb -0.08 -4.09 0.03 0.00 -0.52 0.00 0.00 37.83 33.17 2kc1 s LYS 7 CO 0.16 -1.21 0.73 0.42 -0.92 0.00 0.00 175.35 174.54 2kc1 s ILE 8 N 2.62 4.71 -0.50 2.17 -1.09 0.20 -1.15 121.20 128.15 2kc1 s ILE 8 Ca 0.15 0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 58.56 2kc1 s ILE 8 Cb -0.19 -4.30 0.04 0.00 -1.58 0.00 0.00 42.46 36.43 2kc1 s ILE 8 CO 0.12 -0.73 0.76 -0.55 -1.23 0.00 0.00 174.94 173.32 2kc1 s SER 9 N 2.21 6.31 -0.50 3.58 0.15 -0.48 0.43 113.70 125.40 2kc1 s SER 9 Ca 0.26 -0.50 -0.17 0.00 0.70 0.00 0.00 55.95 56.24 2kc1 s SER 9 Cb -0.14 -2.36 0.08 0.00 -1.71 0.00 0.00 66.02 61.89 2kc1 s SER 9 CO 0.20 -0.99 0.48 -0.63 1.20 0.00 0.00 173.24 173.49 2kc1 s ILE 10 N 3.22 5.13 0.00 6.45 1.01 0.86 -1.81 121.20 136.05 2kc1 s ILE 10 Ca 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2kc1 s ILE 10 Cb -0.15 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.11 2kc1 s ILE 10 CO 0.17 -0.70 0.00 0.61 0.00 0.00 0.00 174.94 175.02 2kc1 n GLY 11 N 5.21 1.55 0.00 6.18 0.00 -1.24 -1.81 105.19 115.08 2kc1 n GLY 11 Ca -0.11 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 3.53 0.23 -4.15 1.61 4.13 -1.26 -5.06 115.26 114.29 2kc1 n ASN 12 Ca 0.00 -1.02 -0.32 0.00 1.68 0.00 0.00 54.58 54.92 2kc1 n ASN 12 Cb 0.00 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.08 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 -0.02 2.01 -0.20 2.41 1.01 -0.75 -5.10 120.40 119.76 2kc1 s VAL 13 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 2kc1 s VAL 13 Cb 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2kc1 s VAL 13 CO 0.00 0.54 0.65 -0.69 0.00 0.00 0.00 175.10 175.60 2kc1 s VAL 14 N 0.89 5.00 -0.15 2.92 1.01 -1.26 -0.10 120.40 128.72 2kc1 s VAL 14 Ca -0.06 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.17 2kc1 s VAL 14 Cb -0.15 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.28 2kc1 s VAL 14 CO -0.03 0.10 -0.17 -0.54 0.00 0.00 0.00 175.10 174.45 2kc1 s LYS 15 N 1.95 2.60 -0.13 2.72 -0.14 0.17 -4.92 119.74 121.98 2kc1 s LYS 15 Ca 0.30 -0.68 -0.29 0.00 -1.36 0.00 0.00 55.97 53.93 2kc1 s LYS 15 Cb -0.16 -2.25 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 2kc1 s LYS 15 CO 0.11 -0.16 1.48 0.99 -0.76 0.00 0.00 175.35 177.01 2kc1 s THR 16 N 1.24 3.89 -0.03 2.17 2.01 -1.26 0.59 115.64 124.25 2kc1 s THR 16 Ca 0.01 1.07 0.04 0.00 0.31 0.00 0.00 61.69 63.12 2kc1 s THR 16 Cb -0.14 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 2kc1 s THR 16 CO -0.08 -0.14 -0.16 -0.04 -0.69 0.00 0.00 174.62 173.51 2kc1 s MET 17 N 3.92 1.49 -0.28 4.92 -1.94 0.90 -4.91 119.30 123.39 2kc1 s MET 17 Ca 0.65 -0.55 -0.11 0.00 -1.71 0.00 0.00 55.69 53.98 2kc1 s MET 17 Cb -0.27 -1.35 -0.05 0.00 2.01 0.00 0.00 34.83 35.18 2kc1 s MET 17 CO 0.23 0.26 0.18 -0.65 -0.01 0.00 0.00 175.02 175.03 2kc1 s GLN 18 N -0.08 3.88 0.52 2.03 -0.21 -1.26 -0.53 119.66 124.01 2kc1 s GLN 18 Ca -0.00 -0.36 0.05 0.00 0.02 0.00 0.00 55.36 55.06 2kc1 s GLN 18 Cb -0.09 -3.62 0.05 0.00 1.00 0.00 0.00 33.01 30.34 2kc1 s GLN 18 CO 0.01 -0.20 0.38 1.19 -2.12 0.00 0.00 175.29 174.56 2kc1 n PHE 19 N 5.04 -0.59 -4.17 0.91 3.72 0.62 -4.86 117.46 118.14 2kc1 n PHE 19 Ca -0.14 -2.22 -0.33 0.00 -0.05 0.00 0.00 57.45 54.70 2kc1 n PHE 19 Cb 0.52 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 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 -4.14 2.96 0.27 -1.08 2.02 -1.26 0.53 118.70 117.99 2kc1 s GLU 20 Ca 0.29 -0.52 -0.02 0.00 0.02 0.00 0.00 54.97 54.74 2kc1 s GLU 20 Cb -0.02 -2.79 0.43 0.00 0.10 0.00 0.00 34.13 31.85 2kc1 s GLU 20 CO 0.18 0.64 1.87 -1.35 0.02 0.00 0.00 175.26 176.62 2kc1 h PRO 21 N 4.24 1.07 0.00 0.39 0.11 -1.93 -1.33 132.00 134.55 2kc1 h PRO 21 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2kc1 h PRO 21 Cb 1.18 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2kc1 h PRO 21 CO 0.60 0.71 0.00 0.45 -0.21 0.00 0.00 178.00 179.55 2kc1 n SER 22 N -4.55 0.42 -4.71 -2.05 2.88 -1.26 -0.88 113.62 103.48 2kc1 n SER 22 Ca 0.16 0.58 -0.42 0.00 -1.33 0.00 0.00 58.87 57.86 2kc1 n SER 22 Cb 0.22 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.15 2.88 0.56 2.46 2.01 -0.50 -4.77 115.64 115.13 2kc1 s THR 23 Ca 0.08 0.52 -0.15 0.00 0.31 0.00 0.00 61.69 62.45 2kc1 s THR 23 Cb 0.11 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 2kc1 s THR 23 CO 0.42 0.02 1.01 -0.04 -0.69 0.00 0.00 174.62 175.33 2kc1 s MET 24 N 1.76 3.77 0.11 4.92 -1.94 -1.26 -0.30 119.30 126.35 2kc1 s MET 24 Ca 0.71 0.92 -0.25 0.00 -1.71 0.00 0.00 55.69 55.35 2kc1 s MET 24 Cb -0.41 -2.11 -0.08 0.00 2.01 0.00 0.00 34.83 34.24 2kc1 s MET 24 CO 0.31 -0.42 1.67 0.28 -0.01 0.00 0.00 175.02 176.85 2kc1 h VAL 25 N 0.48 0.59 0.00 -6.03 2.07 -0.32 0.37 116.25 113.40 2kc1 h VAL 25 Ca -0.46 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2kc1 h VAL 25 Cb 1.19 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kc1 h VAL 25 CO 0.61 0.00 -0.13 0.10 0.02 0.00 0.00 177.57 178.18 2kc1 h TYR 26 N -0.32 0.00 0.11 1.57 -0.00 -1.80 -0.35 116.97 116.18 2kc1 h TYR 26 Ca 0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 58.73 58.49 2kc1 h TYR 26 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.10 2kc1 h TYR 26 CO -0.20 0.13 -1.20 0.22 -0.00 0.00 0.00 178.16 177.11 2kc1 h ASP 27 N 0.00 0.56 -0.14 0.10 3.58 -1.54 -3.12 116.42 115.86 2kc1 h ASP 27 Ca -0.00 -0.55 -0.12 0.00 0.42 0.00 0.00 57.03 56.78 2kc1 h ASP 27 Cb 0.30 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 2kc1 h ASP 27 CO 0.02 1.40 -0.31 0.00 -2.88 0.00 0.00 179.24 177.46 2kc1 h ALA 28 N 0.53 0.90 -0.88 -0.78 0.00 0.62 -2.11 119.26 117.55 2kc1 h ALA 28 Ca -0.14 -0.40 0.11 0.00 0.00 0.00 0.00 54.91 54.48 2kc1 h ALA 28 Cb 1.89 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 2kc1 h ALA 28 CO 0.21 0.62 0.57 0.00 0.00 0.00 0.00 179.25 180.65 2kc1 h ARG 30 N 0.81 0.48 -0.94 0.00 2.43 -1.40 -3.12 114.38 112.64 2kc1 h ARG 30 Ca 0.42 -0.39 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2kc1 h ARG 30 Cb 0.51 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 2kc1 h ARG 30 CO -0.19 1.02 0.61 0.52 -1.51 0.00 0.00 179.97 180.43 2kc1 h MET 31 N 0.33 1.07 0.01 0.20 2.86 -0.53 -0.02 114.93 118.85 2kc1 h MET 31 Ca -0.03 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2kc1 h MET 31 Cb 1.31 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2kc1 h MET 31 CO 0.13 0.71 -0.01 0.82 1.06 0.00 0.00 176.91 179.62 2kc1 h ILE 32 N 1.10 1.37 0.00 -1.22 2.04 -1.46 -2.67 117.51 116.67 2kc1 h ILE 32 Ca 0.40 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 2kc1 h ILE 32 Cb 0.14 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2kc1 h ILE 32 CO -0.14 0.30 -0.17 0.08 0.00 0.00 0.00 178.15 178.21 2kc1 h ARG 33 N -0.51 0.00 0.00 2.37 0.11 -1.41 1.07 114.38 116.00 2kc1 h ARG 33 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kc1 h ARG 33 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2kc1 h ARG 33 CO 0.00 0.17 0.00 0.93 0.10 0.00 0.00 179.97 181.18 2kc1 h GLU 34 N 0.00 0.00 0.00 0.08 5.08 -0.99 -3.37 114.58 115.37 2kc1 h GLU 34 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2kc1 h GLU 34 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2kc1 h GLU 34 CO 0.02 0.00 -1.14 0.54 -1.00 0.00 0.00 179.01 177.44 2kc1 n ARG 35 N -2.82 0.41 -3.82 2.33 5.12 -0.15 -4.98 116.66 112.76 2kc1 n ARG 35 Ca 0.03 0.17 -0.36 0.00 -1.93 0.00 0.00 57.85 55.77 2kc1 n ARG 35 Cb 0.42 -1.21 -0.10 0.00 -1.16 0.00 0.00 32.46 30.40 2kc1 n ARG 35 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2kc1 s ILE 36 N -2.61 4.96 -0.47 0.55 1.01 0.35 -4.97 121.20 120.03 2kc1 s ILE 36 Ca -0.24 0.04 0.26 0.00 0.00 0.00 0.00 60.65 60.71 2kc1 s ILE 36 Cb 0.05 -3.28 0.30 0.00 0.01 0.00 0.00 42.46 39.54 2kc1 s ILE 36 CO 0.34 0.39 1.76 1.55 0.00 0.00 0.00 174.94 178.98 2kc1 h PRO 37 N 7.28 0.00 -0.11 2.79 0.13 -1.81 -3.08 132.00 137.20 2kc1 h PRO 37 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 2kc1 h PRO 37 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2kc1 h PRO 37 CO 0.66 0.00 0.02 0.93 -0.23 0.00 0.00 178.00 179.38 2kc1 h GLU 38 N 0.00 0.15 0.00 0.86 3.07 -1.92 0.11 114.58 116.85 2kc1 h GLU 38 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2kc1 h GLU 38 Cb 0.60 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2kc1 h GLU 38 CO 0.00 0.15 -0.04 0.00 -1.40 0.00 0.00 179.01 177.73 2kc1 h ALA 39 N 1.87 1.02 -0.45 3.43 0.00 -1.85 -3.11 119.26 120.17 2kc1 h ALA 39 Ca 0.04 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 2kc1 h ALA 39 Cb 0.07 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 2kc1 h ALA 39 CO -0.00 0.04 0.37 1.28 0.00 0.00 0.00 179.25 180.94 2kc1 n LEU 40 N -3.16 5.92 0.19 0.00 4.77 0.40 -4.27 117.00 120.84 2kc1 n LEU 40 Ca -0.00 -3.02 0.14 0.00 -0.03 0.00 0.00 56.01 53.09 2kc1 n LEU 40 Cb 0.29 -0.94 0.45 0.00 -2.33 0.00 0.00 43.42 40.89 2kc1 n LEU 40 CO 0.27 1.08 0.89 0.00 -1.33 0.00 0.00 177.39 178.31 2kc1 h ALA 41 N 1.48 1.00 -3.00 -1.18 0.00 -1.68 -3.47 119.26 112.40 2kc1 h ALA 41 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2kc1 h ALA 41 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kc1 h ALA 41 CO 0.66 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.32 2kc1 n GLY 42 N 0.57 2.98 3.77 0.00 0.00 -1.26 -5.15 105.19 106.09 2kc1 n GLY 42 Ca 0.03 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 2.21 4.27 0.43 1.61 0.02 -1.26 -4.93 135.00 137.35 2kc1 s PRO 43 Ca 0.00 1.88 0.30 0.00 0.02 0.00 0.00 61.00 63.20 2kc1 s PRO 43 Cb 0.00 -2.87 1.37 0.00 0.02 0.00 0.00 34.50 33.02 2kc1 s PRO 43 CO 0.00 -0.15 1.90 -1.00 -0.33 0.00 0.00 177.00 177.42 2kc1 h PRO 44 N 3.07 0.00 -0.28 5.54 0.13 -1.93 -0.43 132.00 138.11 2kc1 h PRO 44 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kc1 h PRO 44 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kc1 h PRO 44 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 2kc1 n ASN 45 N -2.65 2.84 0.12 1.44 3.02 -1.26 -4.22 115.26 114.55 2kc1 n ASN 45 Ca 0.00 -1.84 0.04 0.00 -0.03 0.00 0.00 54.58 52.75 2kc1 n ASN 45 Cb 0.19 -0.18 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 2kc1 n ASN 45 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2kc1 h ASP 46 N 2.89 0.00 -2.29 6.41 3.58 -1.45 -3.46 116.42 122.11 2kc1 h ASP 46 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 2kc1 h ASP 46 Cb 0.74 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.71 2kc1 h ASP 46 CO 0.00 0.40 -0.60 -0.36 -2.88 0.00 0.00 179.24 175.81 2kc1 s PHE 47 N -3.03 2.89 0.24 0.28 0.40 -1.23 -0.08 117.98 117.45 2kc1 s PHE 47 Ca 0.02 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.06 2kc1 s PHE 47 Cb 0.08 -1.31 -0.00 0.00 0.51 0.00 0.00 43.02 42.30 2kc1 s PHE 47 CO 0.76 0.57 0.48 0.20 0.70 0.00 0.00 175.22 177.92 2kc1 s GLY 48 N -3.65 0.44 -0.27 4.36 0.00 0.13 -4.76 107.32 103.57 2kc1 s GLY 48 Ca 0.32 -0.79 -0.25 0.00 0.00 0.00 0.00 44.72 44.00 2kc1 s GLY 48 CO 0.22 -0.58 0.85 1.08 0.00 0.00 0.00 173.10 174.67 2kc1 s LEU 49 N -3.00 4.07 -0.28 0.66 1.43 -1.26 -1.14 118.68 119.16 2kc1 s LEU 49 Ca 0.20 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 54.20 2kc1 s LEU 49 Cb -0.01 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 43.05 2kc1 s LEU 49 CO 0.07 -0.60 -0.02 0.12 0.23 0.00 0.00 176.35 176.15 2kc1 s PHE 50 N 2.99 3.18 -0.71 0.29 5.36 0.11 -2.11 117.98 127.09 2kc1 s PHE 50 Ca 0.36 -1.74 -0.27 0.00 -0.96 0.00 0.00 56.93 54.32 2kc1 s PHE 50 Cb -0.14 -2.09 0.03 0.00 -0.34 0.00 0.00 43.02 40.48 2kc1 s PHE 50 CO 0.10 -0.77 1.24 -1.17 -1.46 0.00 0.00 175.22 173.15 2kc1 s LEU 51 N 1.28 3.32 -0.09 6.12 2.96 0.40 0.08 118.68 132.75 2kc1 s LEU 51 Ca -0.03 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 2kc1 s LEU 51 Cb -0.18 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2kc1 s LEU 51 CO -0.02 -1.76 1.05 -0.44 -1.32 0.00 0.00 176.35 173.86 2kc1 s SER 52 N 3.65 7.20 -0.87 3.68 0.01 -1.21 -1.72 113.70 124.45 2kc1 s SER 52 Ca 0.34 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.20 2kc1 s SER 52 Cb -0.09 -2.56 0.34 0.00 0.21 0.00 0.00 66.02 63.92 2kc1 s SER 52 CO 0.16 -0.48 1.70 -0.67 0.41 0.00 0.00 173.24 174.36 2kc1 n ASP 53 N 5.06 6.79 0.00 2.44 2.03 -1.26 -4.67 116.55 126.93 2kc1 n ASP 53 Ca 0.09 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.67 2kc1 n ASP 53 Cb 0.48 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 2kc1 n ASP 53 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kc1 n ASP 54 N -0.26 0.00 -4.50 1.67 2.03 -1.26 -4.76 116.55 109.47 2kc1 n ASP 54 Ca 0.46 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.43 2kc1 n ASP 54 Cb 0.30 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.58 2kc1 n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kc1 s ASP 55 N 0.00 4.88 0.57 1.67 2.15 -1.26 -5.01 116.67 119.67 2kc1 s ASP 55 Ca 0.00 -0.13 0.32 0.00 0.43 0.00 0.00 52.55 53.17 2kc1 s ASP 55 Cb 0.00 -1.81 1.73 0.00 -0.30 0.00 0.00 42.92 42.54 2kc1 s ASP 55 CO 0.00 0.15 2.17 1.55 -0.17 0.00 0.00 175.17 178.87 2kc1 h PRO 56 N 6.88 0.00 0.00 4.34 0.13 -1.95 -0.94 132.00 140.46 2kc1 h PRO 56 Ca -0.33 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.68 2kc1 h PRO 56 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2kc1 h PRO 56 CO 0.63 0.06 -0.57 -0.22 -0.23 0.00 0.00 178.00 177.67 2kc1 h LYS 57 N 0.00 0.00 -0.01 0.86 3.64 -1.94 -1.99 116.57 117.13 2kc1 h LYS 57 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kc1 h LYS 57 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2kc1 h LYS 57 CO 0.01 0.57 -0.10 1.63 -2.27 0.00 0.00 179.45 179.28 2kc1 n LYS 58 N -3.75 1.05 -2.04 1.90 5.02 -0.39 -4.90 118.16 115.05 2kc1 n LYS 58 Ca -0.01 -0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 55.49 2kc1 n LYS 58 Cb 0.59 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.29 1.69 0.05 0.72 0.00 -0.75 -4.50 107.32 102.24 2kc1 s GLY 59 Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 2kc1 s GLY 59 CO 0.43 0.14 -0.03 -0.26 0.00 0.00 0.00 173.10 173.39 2kc1 s ILE 60 N -3.05 0.21 -0.25 0.90 -4.36 -0.70 -4.96 121.20 108.99 2kc1 s ILE 60 Ca 0.54 -1.75 -0.16 0.00 -0.26 0.00 0.00 60.65 59.03 2kc1 s ILE 60 Cb -0.11 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.12 2kc1 s ILE 60 CO 0.50 -0.97 0.41 0.26 0.24 0.00 0.00 174.94 175.39 2kc1 s TRP 61 N -3.79 3.28 0.30 1.37 0.52 -1.26 -0.45 118.94 118.91 2kc1 s TRP 61 Ca 0.06 0.52 -0.29 0.00 0.02 0.00 0.00 56.10 56.40 2kc1 s TRP 61 Cb 0.07 -2.59 -0.10 0.00 -1.15 0.00 0.00 33.47 29.70 2kc1 s TRP 61 CO -0.10 -0.19 1.12 -0.51 0.02 0.00 0.00 176.95 177.30 2kc1 s LEU 62 N 1.93 4.50 0.19 2.99 1.02 -0.90 -5.00 118.68 123.42 2kc1 s LEU 62 Ca 0.17 2.30 -0.30 0.00 0.02 0.00 0.00 54.13 56.33 2kc1 s LEU 62 Cb -0.15 -3.68 -0.08 0.00 0.02 0.00 0.00 46.19 42.30 2kc1 s LEU 62 CO 0.09 -0.22 0.96 -1.61 0.02 0.00 0.00 176.35 175.59 2kc1 s GLU 63 N -1.57 4.78 0.36 1.70 2.02 -1.26 -4.80 118.70 119.94 2kc1 s GLU 63 Ca 0.46 1.49 0.07 0.00 0.02 0.00 0.00 54.97 57.01 2kc1 s GLU 63 Cb -0.32 -3.31 0.77 0.00 0.10 0.00 0.00 34.13 31.36 2kc1 s GLU 63 CO 0.41 0.38 1.94 0.00 0.02 0.00 0.00 175.26 178.01 2kc1 h ALA 64 N 4.71 1.75 -0.17 5.21 0.00 -1.94 -1.43 119.26 127.38 2kc1 h ALA 64 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kc1 h ALA 64 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kc1 h ALA 64 CO 0.70 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2kc1 n GLY 65 N -1.45 -0.12 3.73 0.00 0.00 -1.26 -3.36 105.19 102.73 2kc1 n GLY 65 Ca 0.12 -0.24 -0.27 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 -1.77 2.66 0.44 1.61 -0.14 -0.54 -4.97 119.74 117.02 2kc1 s LYS 66 Ca 0.18 -0.93 0.01 0.00 -1.36 0.00 0.00 55.97 53.87 2kc1 s LYS 66 Cb 0.09 -2.53 -0.00 0.00 -1.68 0.00 0.00 37.83 33.71 2kc1 s LYS 66 CO 0.13 0.49 0.66 0.00 -0.76 0.00 0.00 175.35 175.88 2kc1 s ALA 67 N -1.62 3.80 0.30 5.17 0.00 -1.26 0.21 121.76 128.36 2kc1 s ALA 67 Ca 0.29 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 51.22 2kc1 s ALA 67 Cb -0.10 -2.10 0.48 0.00 0.00 0.00 0.00 23.12 21.40 2kc1 s ALA 67 CO 0.21 -0.36 1.71 -0.07 0.00 0.00 0.00 175.76 177.25 2kc1 h LEU 68 N 0.43 0.23 -1.57 0.00 3.38 -0.64 -2.25 115.31 114.88 2kc1 h LEU 68 Ca -0.46 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 2kc1 h LEU 68 Cb 1.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2kc1 h LEU 68 CO 0.57 0.61 -0.23 -0.78 0.09 0.00 0.00 178.44 178.70 2kc1 h ASP 69 N 0.19 0.00 -0.91 -0.43 3.58 -1.25 -2.47 116.42 115.13 2kc1 h ASP 69 Ca 0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kc1 h ASP 69 Cb 0.79 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.80 2kc1 h ASP 69 CO 0.06 0.23 0.57 0.22 -2.88 0.00 0.00 179.24 177.44 2kc1 h TYR 70 N 0.00 1.18 -0.04 0.28 3.20 -1.66 -1.26 116.97 118.67 2kc1 h TYR 70 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kc1 h TYR 70 Cb 0.44 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2kc1 h TYR 70 CO 0.00 0.78 0.00 0.66 -1.64 0.00 0.00 178.16 177.96 2kc1 n TYR 71 N -4.40 0.04 -3.67 -3.82 4.02 -0.96 -4.93 117.16 103.44 2kc1 n TYR 71 Ca 0.10 -0.02 -0.23 0.00 -0.01 0.00 0.00 57.90 57.74 2kc1 n TYR 71 Cb 0.04 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.42 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 -0.07 -5.98 -2.42 -0.72 2.81 -0.48 -4.96 117.12 105.30 2kc1 n MET 72 Ca 0.19 0.70 -0.37 0.00 -1.81 0.00 0.00 57.70 56.41 2kc1 n MET 72 Cb 0.29 -5.53 -0.03 0.00 -0.71 0.00 0.00 33.22 27.24 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 -6.85 4.15 0.23 4.03 1.43 -1.00 -5.04 118.68 115.63 2kc1 s LEU 73 Ca 0.25 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.54 2kc1 s LEU 73 Cb -0.12 -4.13 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 2kc1 s LEU 73 CO 0.78 -0.61 0.09 -0.13 0.23 0.00 0.00 176.35 176.71 2kc1 s ARG 74 N -2.43 1.31 0.23 1.70 0.52 -1.26 -4.86 118.95 114.15 2kc1 s ARG 74 Ca 0.58 -1.69 -0.31 0.00 -0.52 0.00 0.00 55.73 53.79 2kc1 s ARG 74 Cb -0.26 -0.12 -0.11 0.00 0.52 0.00 0.00 34.95 34.98 2kc1 s ARG 74 CO 0.32 -0.30 1.57 0.54 0.02 0.00 0.00 175.30 177.46 2kc1 s ASN 75 N -3.25 6.51 0.00 0.23 4.22 -1.25 -2.60 114.94 118.79 2kc1 s ASN 75 Ca 0.36 2.76 0.00 0.00 -2.14 0.00 0.00 52.86 53.84 2kc1 s ASN 75 Cb 0.07 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.99 2kc1 s ASN 75 CO 0.12 -0.85 0.00 0.61 -2.04 0.00 0.00 177.10 174.94 2kc1 n GLY 76 N 2.98 2.54 3.77 0.45 0.00 0.37 -4.93 105.19 110.37 2kc1 n GLY 76 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.84 5.01 -0.19 1.61 1.01 -1.07 -4.75 116.67 117.45 2kc1 s ASP 77 Ca 0.00 1.94 -0.00 0.00 0.71 0.00 0.00 52.55 55.20 2kc1 s ASP 77 Cb 0.00 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2kc1 s ASP 77 CO 0.00 -1.70 -0.16 -0.89 0.21 0.00 0.00 175.17 172.63 2kc1 s THR 78 N -2.50 2.36 -0.08 -1.27 2.01 -1.26 -0.49 115.64 114.42 2kc1 s THR 78 Ca 0.65 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.83 2kc1 s THR 78 Cb -0.19 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.30 2kc1 s THR 78 CO 0.45 0.50 -0.20 -0.32 -0.69 0.00 0.00 174.62 174.36 2kc1 s MET 79 N 1.33 2.45 -0.48 4.92 1.75 -0.30 -3.30 119.30 125.67 2kc1 s MET 79 Ca 0.05 -0.71 -0.17 0.00 -1.25 0.00 0.00 55.69 53.61 2kc1 s MET 79 Cb -0.13 -1.93 0.06 0.00 2.84 0.00 0.00 34.83 35.67 2kc1 s MET 79 CO -0.11 0.16 0.51 -1.21 -0.65 0.00 0.00 175.02 173.72 2kc1 s GLU 80 N 0.35 3.06 -0.63 4.11 2.02 0.11 -1.38 118.70 126.34 2kc1 s GLU 80 Ca -0.14 -1.07 -0.27 0.00 0.02 0.00 0.00 54.97 53.50 2kc1 s GLU 80 Cb -0.16 -4.10 0.01 0.00 0.10 0.00 0.00 34.13 29.98 2kc1 s GLU 80 CO 0.06 -1.10 1.48 -0.47 0.02 0.00 0.00 175.26 175.25 2kc1 s TYR 81 N 2.15 2.14 0.21 1.61 5.04 -0.75 -0.71 117.35 127.04 2kc1 s TYR 81 Ca 0.10 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 55.11 2kc1 s TYR 81 Cb -0.21 -4.40 -0.05 0.00 0.35 0.00 0.00 41.96 37.65 2kc1 s TYR 81 CO 0.10 -2.10 0.07 -0.98 -1.34 0.00 0.00 175.55 171.30 2kc1 s ARG 82 N 5.93 1.23 0.15 4.97 1.70 -0.29 -3.66 118.95 128.99 2kc1 s ARG 82 Ca 0.50 -1.64 -0.31 0.00 -0.47 0.00 0.00 55.73 53.81 2kc1 s ARG 82 Cb -0.10 -0.10 -0.09 0.00 -0.57 0.00 0.00 34.95 34.08 2kc1 s ARG 82 CO 0.21 -0.26 1.49 0.21 -1.08 0.00 0.00 175.30 175.87 2kc1 s LYS 83 N -4.03 4.26 -0.20 3.89 2.20 -1.26 0.20 119.74 124.80 2kc1 s LYS 83 Ca 0.33 2.25 -0.29 0.00 -0.36 0.00 0.00 55.97 57.90 2kc1 s LYS 83 Cb 0.07 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2kc1 s LYS 83 CO 0.09 -0.53 1.80 0.15 -0.36 0.00 0.00 175.35 176.51 2kc1 s LYS 84 N 1.00 3.66 0.00 4.03 1.02 0.88 -4.83 119.74 125.52 2kc1 s LYS 84 Ca 0.67 1.84 0.06 0.00 0.02 0.00 0.00 55.97 58.56 2kc1 s LYS 84 Cb -0.41 -4.14 0.05 0.00 -0.52 0.00 0.00 37.83 32.81 2kc1 s LYS 84 CO 0.32 -1.47 0.69 1.04 -0.92 0.00 0.00 175.35 175.01