#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 2.12 0.11 -0.61 -1.09 -1.26 -5.11 121.20 115.36 2kc1 s ILE -4 Ca 0.00 -0.98 -0.30 0.00 -2.23 0.00 0.00 60.65 57.14 2kc1 s ILE -4 Cb 0.00 -1.83 -0.06 0.00 -1.58 0.00 0.00 42.46 38.99 2kc1 s ILE -4 CO 0.00 0.55 1.00 -1.81 -1.23 0.00 0.00 174.94 173.46 2kc1 s ASP -3 N 0.59 7.41 0.38 3.58 1.01 -1.26 -4.93 116.67 123.46 2kc1 s ASP -3 Ca -0.12 1.84 0.08 0.00 0.71 0.00 0.00 52.55 55.06 2kc1 s ASP -3 Cb -0.17 -2.59 0.81 0.00 1.01 0.00 0.00 42.92 41.99 2kc1 s ASP -3 CO 0.03 -0.14 1.97 -0.65 0.21 0.00 0.00 175.17 176.59 2kc1 h PRO -2 N 5.72 0.64 -3.16 8.23 0.11 -2.01 -3.39 132.00 138.14 2kc1 h PRO -2 Ca -0.43 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 2kc1 h PRO -2 Cb 1.21 -0.15 -0.34 0.00 0.11 0.00 0.00 31.00 31.84 2kc1 h PRO -2 CO 0.73 0.43 -0.62 -0.59 -0.21 0.00 0.00 178.00 177.73 2kc1 s PHE -1 N -5.60 -0.17 -0.06 0.65 -0.71 -1.26 -5.09 117.98 105.74 2kc1 s PHE -1 Ca -0.09 0.55 -0.30 0.00 -1.04 0.00 0.00 56.93 56.06 2kc1 s PHE -1 Cb 0.19 -0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.75 2kc1 s PHE -1 CO 0.76 -0.23 1.83 0.95 -1.34 0.00 0.00 175.22 177.20 2kc1 s THR 0 N 1.80 3.31 0.00 -4.49 -4.23 -1.26 -4.56 115.64 106.21 2kc1 s THR 0 Ca -0.02 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2kc1 s THR 0 Cb -0.12 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2kc1 s THR 0 CO -0.06 -0.06 0.00 0.23 -0.54 0.00 0.00 174.62 174.19 2kc1 n MET 1 N 7.53 0.00 -3.89 3.99 2.81 -1.26 -3.96 117.12 122.33 2kc1 n MET 1 Ca 0.20 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.81 2kc1 n MET 1 Cb 0.43 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.77 2kc1 n MET 1 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2kc1 s VAL 2 N 0.00 1.06 -0.00 2.03 -7.23 -1.26 -5.13 120.40 109.87 2kc1 s VAL 2 Ca 0.00 -0.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2kc1 s VAL 2 Cb 0.00 -1.20 -0.00 0.00 0.56 0.00 0.00 36.38 35.74 2kc1 s VAL 2 CO 0.00 0.19 -0.03 0.00 -0.31 0.00 0.00 175.10 174.96 2kc1 s ALA 3 N 1.67 0.22 -0.50 1.32 0.00 -1.25 -4.38 121.76 118.83 2kc1 s ALA 3 Ca 0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 2kc1 s ALA 3 Cb -0.14 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2kc1 s ALA 3 CO -0.08 0.05 0.68 -0.51 0.00 0.00 0.00 175.76 175.90 2kc1 s LEU 4 N -0.03 4.76 -0.50 0.00 1.02 0.16 -4.77 118.68 119.32 2kc1 s LEU 4 Ca 0.01 -0.74 -0.16 0.00 0.02 0.00 0.00 54.13 53.26 2kc1 s LEU 4 Cb -0.01 -2.55 0.09 0.00 0.02 0.00 0.00 46.19 43.75 2kc1 s LEU 4 CO -0.00 -0.93 0.45 -0.44 0.02 0.00 0.00 176.35 175.45 2kc1 s SER 5 N 2.60 6.17 0.37 2.29 0.01 -1.26 -0.36 113.70 123.53 2kc1 s SER 5 Ca 0.19 -1.49 0.08 0.00 1.31 0.00 0.00 55.95 56.03 2kc1 s SER 5 Cb -0.17 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2kc1 s SER 5 CO 0.14 -0.74 0.13 -0.76 0.41 0.00 0.00 173.24 172.42 2kc1 s LEU 6 N 1.67 3.13 -0.53 2.44 1.02 -0.67 -0.25 118.68 125.50 2kc1 s LEU 6 Ca 0.04 -0.96 -0.21 0.00 0.02 0.00 0.00 54.13 53.03 2kc1 s LEU 6 Cb -0.26 -1.52 0.06 0.00 0.02 0.00 0.00 46.19 44.48 2kc1 s LEU 6 CO 0.05 -0.39 0.72 -0.54 0.02 0.00 0.00 176.35 176.21 2kc1 s LYS 7 N -3.84 3.17 -0.48 1.70 -0.14 0.67 -1.81 119.74 119.01 2kc1 s LYS 7 Ca 0.39 -0.74 -0.15 0.00 -1.36 0.00 0.00 55.97 54.10 2kc1 s LYS 7 Cb 0.01 -4.10 0.08 0.00 -1.68 0.00 0.00 37.83 32.14 2kc1 s LYS 7 CO 0.22 -1.32 0.41 0.42 -0.76 0.00 0.00 175.35 174.31 2kc1 s ILE 8 N 3.02 5.19 -0.51 2.17 -1.09 0.71 -0.47 121.20 130.21 2kc1 s ILE 8 Ca 0.19 -1.15 -0.22 0.00 -2.23 0.00 0.00 60.65 57.24 2kc1 s ILE 8 Cb -0.18 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.61 2kc1 s ILE 8 CO 0.13 -0.63 0.78 -0.55 -1.23 0.00 0.00 174.94 173.45 2kc1 s SER 9 N 2.75 6.30 -0.93 3.58 0.15 -0.42 0.08 113.70 125.21 2kc1 s SER 9 Ca 0.04 -0.53 -0.24 0.00 0.70 0.00 0.00 55.95 55.92 2kc1 s SER 9 Cb -0.25 -2.37 0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2kc1 s SER 9 CO 0.06 -1.03 1.36 -0.63 1.20 0.00 0.00 173.24 174.20 2kc1 s ILE 10 N 3.30 3.95 0.00 6.45 1.01 0.77 -0.78 121.20 135.89 2kc1 s ILE 10 Ca 0.24 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2kc1 s ILE 10 Cb -0.15 -4.99 0.00 0.00 0.01 0.00 0.00 42.46 37.33 2kc1 s ILE 10 CO 0.17 -1.87 0.00 0.61 0.00 0.00 0.00 174.94 173.85 2kc1 n GLY 11 N 6.33 1.30 0.00 6.18 0.00 -0.65 -2.26 105.19 116.09 2kc1 n GLY 11 Ca 0.23 -0.01 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 -2.01 0.00 0.00 0.00 173.32 171.31 2kc1 n ASN 12 N 3.04 0.00 -4.57 1.61 2.85 -1.26 -5.05 115.26 111.88 2kc1 n ASN 12 Ca 0.00 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.05 2kc1 n ASN 12 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2kc1 s VAL 13 N -0.08 3.99 -0.20 3.44 1.01 -0.96 -4.96 120.40 122.64 2kc1 s VAL 13 Ca 0.00 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.53 2kc1 s VAL 13 Cb 0.00 -4.75 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2kc1 s VAL 13 CO 0.00 -1.43 0.45 0.54 0.00 0.00 0.00 175.10 174.66 2kc1 s VAL 14 N 5.02 5.16 -0.05 2.92 0.11 -1.26 -0.16 120.40 132.13 2kc1 s VAL 14 Ca 0.40 0.82 0.06 0.00 -2.93 0.00 0.00 61.98 60.32 2kc1 s VAL 14 Cb -0.08 -3.78 -0.01 0.00 -1.53 0.00 0.00 36.38 30.98 2kc1 s VAL 14 CO 0.22 0.22 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.44 2kc1 s LYS 15 N 1.45 2.49 -0.27 1.54 -0.14 0.11 -4.90 119.74 120.02 2kc1 s LYS 15 Ca 0.21 -0.87 -0.21 0.00 -1.36 0.00 0.00 55.97 53.74 2kc1 s LYS 15 Cb -0.15 -2.19 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 2kc1 s LYS 15 CO 0.09 0.44 0.66 -0.08 -0.76 0.00 0.00 175.35 175.70 2kc1 s THR 16 N -0.31 4.94 0.08 2.17 -1.32 -1.26 -0.21 115.64 119.73 2kc1 s THR 16 Ca 0.01 1.13 0.10 0.00 -1.21 0.00 0.00 61.69 61.72 2kc1 s THR 16 Cb -0.13 -3.98 -0.03 0.00 -1.51 0.00 0.00 72.50 66.85 2kc1 s THR 16 CO 0.02 -0.04 -0.26 -0.04 -2.21 0.00 0.00 174.62 172.10 2kc1 s MET 17 N 2.60 1.60 -0.39 7.08 -1.94 -0.75 -4.96 119.30 122.55 2kc1 s MET 17 Ca 0.27 -1.18 -0.09 0.00 -1.71 0.00 0.00 55.69 52.98 2kc1 s MET 17 Cb -0.15 -1.89 0.05 0.00 2.01 0.00 0.00 34.83 34.85 2kc1 s MET 17 CO 0.09 0.47 0.21 -0.65 -0.01 0.00 0.00 175.02 175.13 2kc1 s GLN 18 N -1.54 2.68 0.52 2.03 -0.21 -1.26 -1.66 119.66 120.21 2kc1 s GLN 18 Ca 0.12 -1.26 0.08 0.00 0.02 0.00 0.00 55.36 54.32 2kc1 s GLN 18 Cb -0.10 -3.69 0.08 0.00 1.00 0.00 0.00 33.01 30.30 2kc1 s GLN 18 CO 0.03 -0.80 0.69 1.19 -2.12 0.00 0.00 175.29 174.29 2kc1 n PHE 19 N 4.92 -2.23 -4.32 0.91 3.01 0.52 -4.86 117.46 115.42 2kc1 n PHE 19 Ca -0.11 -1.92 -0.25 0.00 1.01 0.00 0.00 57.45 56.18 2kc1 n PHE 19 Cb 0.44 -0.49 -0.09 0.00 -0.01 0.00 0.00 39.48 39.34 2kc1 n PHE 19 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2kc1 s GLU 20 N -4.33 2.08 0.47 -1.08 2.02 -1.26 0.39 118.70 116.98 2kc1 s GLU 20 Ca 0.53 -1.39 0.20 0.00 0.02 0.00 0.00 54.97 54.32 2kc1 s GLU 20 Cb -0.04 -2.10 1.15 0.00 0.10 0.00 0.00 34.13 33.23 2kc1 s GLU 20 CO 0.33 0.40 2.00 -1.00 0.02 0.00 0.00 175.26 177.01 2kc1 h PRO 21 N 2.48 0.00 -0.01 0.39 0.13 -1.95 -1.73 132.00 131.31 2kc1 h PRO 21 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kc1 h PRO 21 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kc1 h PRO 21 CO 0.57 0.19 -0.12 0.43 -0.23 0.00 0.00 178.00 178.84 2kc1 n SER 22 N -3.99 0.72 -4.70 1.44 7.64 -1.26 -2.18 113.62 111.29 2kc1 n SER 22 Ca -0.02 -0.83 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 2kc1 n SER 22 Cb 0.27 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.37 3.80 0.45 0.44 2.01 -0.65 -4.87 115.64 114.45 2kc1 s THR 23 Ca 0.31 1.25 -0.21 0.00 0.31 0.00 0.00 61.69 63.34 2kc1 s THR 23 Cb 0.20 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 2kc1 s THR 23 CO 0.45 0.06 1.00 -0.04 -0.69 0.00 0.00 174.62 175.40 2kc1 s MET 24 N 1.61 4.05 0.17 4.92 -1.94 -1.26 -0.55 119.30 126.29 2kc1 s MET 24 Ca 0.61 1.26 -0.14 0.00 -1.71 0.00 0.00 55.69 55.71 2kc1 s MET 24 Cb -0.31 -2.19 0.09 0.00 2.01 0.00 0.00 34.83 34.44 2kc1 s MET 24 CO 0.28 -0.20 1.80 0.28 -0.01 0.00 0.00 175.02 177.16 2kc1 h VAL 25 N 1.80 1.02 0.00 -6.03 2.07 -0.54 0.19 116.25 114.76 2kc1 h VAL 25 Ca -0.49 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2kc1 h VAL 25 Cb 1.20 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2kc1 h VAL 25 CO 0.60 0.10 -0.14 0.10 0.02 0.00 0.00 177.57 178.25 2kc1 h TYR 26 N 0.54 0.00 0.21 1.57 -0.00 -1.78 -1.03 116.97 116.48 2kc1 h TYR 26 Ca 0.20 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.60 2kc1 h TYR 26 Cb 0.05 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 36.81 2kc1 h TYR 26 CO -0.08 0.14 -1.48 0.22 -0.00 0.00 0.00 178.16 176.97 2kc1 h ASP 27 N 0.00 0.70 -0.22 0.10 3.58 -1.48 -3.07 116.42 116.03 2kc1 h ASP 27 Ca -0.00 -0.80 -0.02 0.00 0.42 0.00 0.00 57.03 56.63 2kc1 h ASP 27 Cb 0.32 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2kc1 h ASP 27 CO 0.02 1.63 0.07 0.00 -2.88 0.00 0.00 179.24 178.09 2kc1 h ALA 28 N 0.26 1.60 -0.04 -0.78 0.00 -0.12 -0.00 119.26 120.17 2kc1 h ALA 28 Ca -0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2kc1 h ALA 28 Cb 2.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2kc1 h ALA 28 CO 0.24 0.31 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 2kc1 h ARG 30 N 0.05 0.60 -0.90 0.00 2.43 -0.96 -2.99 114.38 112.61 2kc1 h ARG 30 Ca 0.01 -0.61 0.07 0.00 -0.81 0.00 0.00 59.98 58.64 2kc1 h ARG 30 Cb 0.36 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2kc1 h ARG 30 CO 0.03 1.22 0.56 0.52 -1.51 0.00 0.00 179.97 180.79 2kc1 h MET 31 N 0.36 0.98 -0.69 0.20 2.86 -0.63 0.13 114.93 118.14 2kc1 h MET 31 Ca -0.09 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2kc1 h MET 31 Cb 1.59 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 2kc1 h MET 31 CO 0.18 0.65 0.27 0.82 1.06 0.00 0.00 176.91 179.89 2kc1 h ILE 32 N 1.01 1.24 -0.06 -1.22 1.08 -1.43 -1.32 117.51 116.82 2kc1 h ILE 32 Ca 0.40 -0.77 -0.16 0.00 -0.39 0.00 0.00 64.86 63.94 2kc1 h ILE 32 Cb 0.20 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2kc1 h ILE 32 CO -0.18 0.31 -0.66 0.03 -0.69 0.00 0.00 178.15 176.96 2kc1 h ARG 33 N 0.98 0.24 0.16 2.37 3.08 -1.09 0.93 114.38 121.05 2kc1 h ARG 33 Ca 0.23 -0.18 -0.30 0.00 0.07 0.00 0.00 59.98 59.80 2kc1 h ARG 33 Cb 0.21 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2kc1 h ARG 33 CO -0.02 0.81 -1.40 1.05 -1.07 0.00 0.00 179.97 179.34 2kc1 h GLU 34 N 0.17 0.35 0.06 0.04 4.11 -0.71 -3.37 114.58 115.23 2kc1 h GLU 34 Ca -0.01 -0.59 -0.13 0.00 0.07 0.00 0.00 59.36 58.69 2kc1 h GLU 34 Cb 1.19 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2kc1 h GLU 34 CO 0.10 1.26 -0.63 -0.09 0.07 0.00 0.00 179.01 179.72 2kc1 h ARG 35 N 0.09 0.14 -4.93 1.06 9.65 -1.26 -3.44 114.38 115.69 2kc1 h ARG 35 Ca -0.20 -0.23 -0.66 0.00 -1.10 0.00 0.00 59.98 57.78 2kc1 h ARG 35 Cb 2.04 0.09 -0.25 0.00 -1.39 0.00 0.00 29.97 30.46 2kc1 h ARG 35 CO 0.21 1.11 -0.65 0.42 2.80 0.00 0.00 179.97 183.86 2kc1 s ILE 36 N -2.34 3.93 -0.50 1.20 -1.09 0.32 -4.97 121.20 117.76 2kc1 s ILE 36 Ca -0.18 -0.40 0.26 0.00 -2.23 0.00 0.00 60.65 58.09 2kc1 s ILE 36 Cb 0.00 -2.88 0.29 0.00 -1.58 0.00 0.00 42.46 38.30 2kc1 s ILE 36 CO 0.74 0.30 1.76 1.55 -1.23 0.00 0.00 174.94 178.06 2kc1 h PRO 37 N 8.20 0.00 -0.15 2.79 0.13 -1.80 -3.17 132.00 138.00 2kc1 h PRO 37 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2kc1 h PRO 37 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kc1 h PRO 37 CO 0.59 0.00 -0.10 1.49 -0.23 0.00 0.00 178.00 179.75 2kc1 h GLU 38 N 0.00 0.23 0.00 0.86 4.57 -1.90 -1.26 114.58 117.08 2kc1 h GLU 38 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2kc1 h GLU 38 Cb 0.57 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2kc1 h GLU 38 CO 0.00 0.35 0.00 0.00 -1.18 0.00 0.00 179.01 178.18 2kc1 n ALA 39 N -2.49 2.63 -2.82 2.92 0.00 -1.20 -4.67 120.51 114.88 2kc1 n ALA 39 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2kc1 n ALA 39 Cb 0.25 -1.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.14 4.50 0.22 0.00 1.43 -0.48 -4.60 118.68 117.61 2kc1 s LEU 40 Ca 0.43 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2kc1 s LEU 40 Cb 0.21 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.93 2kc1 s LEU 40 CO 0.39 -1.28 0.00 0.00 0.23 0.00 0.00 176.35 175.68 2kc1 n ALA 41 N 7.30 1.51 -3.55 4.21 0.00 -1.26 -5.08 120.51 123.64 2kc1 n ALA 41 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 2kc1 n ALA 41 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.92 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 0.01 2.60 3.70 0.00 0.00 -1.26 -5.10 105.19 105.15 2kc1 n GLY 42 Ca 0.00 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.42 2kc1 n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kc1 n PRO 43 N -1.47 0.94 -0.27 1.61 -0.02 -1.26 -4.91 135.00 129.62 2kc1 n PRO 43 Ca 0.02 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.83 2kc1 n PRO 43 Cb 0.40 -2.46 0.06 0.00 -0.02 0.00 0.00 33.50 31.49 2kc1 n PRO 43 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2kc1 h PRO 44 N 0.31 1.01 -0.01 0.52 0.11 -1.97 -1.45 132.00 130.52 2kc1 h PRO 44 Ca -0.50 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2kc1 h PRO 44 Cb 1.34 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kc1 h PRO 44 CO 0.51 0.70 -0.02 0.27 -0.21 0.00 0.00 178.00 179.26 2kc1 n ASN 45 N -4.52 1.30 0.10 -2.05 0.23 -1.26 -3.24 115.26 105.82 2kc1 n ASN 45 Ca 0.07 -1.40 -0.03 0.00 -0.53 0.00 0.00 54.58 52.69 2kc1 n ASN 45 Cb 0.04 0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 37.73 2kc1 n ASN 45 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2kc1 h ASP 46 N 2.01 0.00 -3.88 0.53 3.58 -1.62 -3.45 116.42 113.60 2kc1 h ASP 46 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2kc1 h ASP 46 Cb 0.45 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.51 2kc1 h ASP 46 CO 0.00 0.80 0.02 0.49 -2.88 0.00 0.00 179.24 177.67 2kc1 n PHE 47 N -3.41 -3.22 0.00 0.28 3.72 -1.17 -2.14 117.46 111.52 2kc1 n PHE 47 Ca 0.00 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 2kc1 n PHE 47 Cb 0.82 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 2kc1 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kc1 n GLY 48 N 3.30 -0.53 3.65 1.37 0.00 0.93 -4.41 105.19 109.51 2kc1 n GLY 48 Ca 0.04 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 4.12 -0.32 0.99 1.43 -1.26 -1.30 118.68 122.33 2kc1 s LEU 49 Ca 0.00 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2kc1 s LEU 49 Cb 0.00 -2.39 0.06 0.00 0.03 0.00 0.00 46.19 43.89 2kc1 s LEU 49 CO 0.00 -0.06 0.05 0.12 0.23 0.00 0.00 176.35 176.68 2kc1 s PHE 50 N 1.40 3.33 -0.54 0.29 5.36 -0.14 -1.51 117.98 126.18 2kc1 s PHE 50 Ca 0.15 -1.95 -0.27 0.00 -0.96 0.00 0.00 56.93 53.90 2kc1 s PHE 50 Cb -0.15 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 2kc1 s PHE 50 CO 0.07 -0.83 1.75 -1.17 -1.46 0.00 0.00 175.22 173.58 2kc1 s LEU 51 N 1.24 3.36 0.34 6.12 0.20 0.65 0.28 118.68 130.86 2kc1 s LEU 51 Ca -0.02 0.53 -0.18 0.00 0.69 0.00 0.00 54.13 55.14 2kc1 s LEU 51 Cb -0.20 -2.85 -0.10 0.00 -0.43 0.00 0.00 46.19 42.61 2kc1 s LEU 51 CO -0.01 -2.09 0.81 -0.94 -0.29 0.00 0.00 176.35 173.83 2kc1 s SER 52 N 6.84 6.90 0.37 3.68 1.04 -1.11 -1.77 113.70 129.65 2kc1 s SER 52 Ca 0.66 1.46 0.04 0.00 0.48 0.00 0.00 55.95 58.59 2kc1 s SER 52 Cb -0.14 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2kc1 s SER 52 CO 0.24 -0.21 0.08 -0.62 0.98 0.00 0.00 173.24 173.72 2kc1 s ASP 53 N -2.11 2.60 0.51 7.02 2.15 -1.26 -4.70 116.67 120.87 2kc1 s ASP 53 Ca 0.55 -1.51 0.22 0.00 0.43 0.00 0.00 52.55 52.24 2kc1 s ASP 53 Cb -0.11 0.19 1.34 0.00 -0.30 0.00 0.00 42.92 44.04 2kc1 s ASP 53 CO 0.17 -0.75 2.08 -2.24 -0.17 0.00 0.00 175.17 174.26 2kc1 h ASP 54 N 1.95 0.00 -3.39 -0.34 2.03 -1.98 -3.38 116.42 111.31 2kc1 h ASP 54 Ca -0.39 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.25 2kc1 h ASP 54 Cb 1.26 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.50 2kc1 h ASP 54 CO 0.64 0.11 -0.76 -0.62 -1.03 0.00 0.00 179.24 177.59 2kc1 s ASP 55 N -6.53 4.09 0.62 4.15 -1.08 -1.26 -5.02 116.67 111.65 2kc1 s ASP 55 Ca -0.04 -0.29 0.40 0.00 -0.52 0.00 0.00 52.55 52.10 2kc1 s ASP 55 Cb 0.15 -1.55 2.08 0.00 -1.46 0.00 0.00 42.92 42.14 2kc1 s ASP 55 CO 0.62 0.19 2.26 1.55 0.52 0.00 0.00 175.17 180.31 2kc1 h PRO 56 N 6.55 0.00 0.00 4.34 0.13 -1.97 -1.94 132.00 139.11 2kc1 h PRO 56 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2kc1 h PRO 56 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kc1 h PRO 56 CO 0.56 0.01 -0.40 0.87 -0.23 0.00 0.00 178.00 178.81 2kc1 h LYS 57 N 0.00 0.00 -0.01 0.86 1.79 -1.95 -2.36 116.57 114.90 2kc1 h LYS 57 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kc1 h LYS 57 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2kc1 h LYS 57 CO 0.00 0.40 -0.13 1.63 -1.08 0.00 0.00 179.45 180.26 2kc1 n LYS 58 N -3.34 0.81 -2.60 3.15 4.01 -0.73 -4.81 118.16 114.66 2kc1 n LYS 58 Ca 0.01 -0.35 -0.42 0.00 -0.51 0.00 0.00 58.31 57.04 2kc1 n LYS 58 Cb 0.60 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.60 2kc1 n LYS 58 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2kc1 s GLY 59 N -2.43 2.46 0.09 0.72 0.00 -0.89 -4.67 107.32 102.61 2kc1 s GLY 59 Ca 0.29 0.55 0.07 0.00 0.00 0.00 0.00 44.72 45.64 2kc1 s GLY 59 CO 0.47 1.94 -0.19 -0.26 0.00 0.00 0.00 173.10 175.06 2kc1 s ILE 60 N 1.63 1.54 -0.07 0.90 -4.36 -0.73 -4.93 121.20 115.18 2kc1 s ILE 60 Ca 0.53 -1.47 -0.25 0.00 -0.26 0.00 0.00 60.65 59.20 2kc1 s ILE 60 Cb -0.22 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.04 2kc1 s ILE 60 CO 0.23 -0.10 0.78 0.26 0.24 0.00 0.00 174.94 176.36 2kc1 s TRP 61 N -1.18 3.57 -0.05 1.37 0.52 -1.26 -0.26 118.94 121.65 2kc1 s TRP 61 Ca 0.04 1.35 -0.30 0.00 0.02 0.00 0.00 56.10 57.21 2kc1 s TRP 61 Cb -0.10 -2.91 -0.03 0.00 -1.15 0.00 0.00 33.47 29.28 2kc1 s TRP 61 CO 0.04 0.01 1.07 -0.51 0.02 0.00 0.00 176.95 177.58 2kc1 s LEU 62 N 1.08 4.30 0.29 2.99 1.02 -0.57 -4.97 118.68 122.82 2kc1 s LEU 62 Ca 0.41 1.69 -0.30 0.00 0.02 0.00 0.00 54.13 55.95 2kc1 s LEU 62 Cb -0.18 -3.56 -0.11 0.00 0.02 0.00 0.00 46.19 42.36 2kc1 s LEU 62 CO 0.19 -0.44 1.47 -1.61 0.02 0.00 0.00 176.35 175.98 2kc1 s GLU 63 N 1.72 4.22 0.33 1.70 2.02 -1.26 -4.69 118.70 122.75 2kc1 s GLU 63 Ca 0.52 2.40 0.02 0.00 0.02 0.00 0.00 54.97 57.93 2kc1 s GLU 63 Cb -0.22 -3.06 0.61 0.00 0.10 0.00 0.00 34.13 31.56 2kc1 s GLU 63 CO 0.23 -0.46 1.96 0.00 0.02 0.00 0.00 175.26 177.01 2kc1 h ALA 64 N 4.49 1.57 -0.14 5.21 0.00 -1.94 -1.93 119.26 126.51 2kc1 h ALA 64 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kc1 h ALA 64 Cb 1.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kc1 h ALA 64 CO 0.75 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.75 2kc1 n GLY 65 N -1.43 0.93 3.54 0.00 0.00 -1.26 -3.05 105.19 103.92 2kc1 n GLY 65 Ca 0.10 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.56 1.90 0.48 1.61 -0.14 -0.73 -5.00 119.74 116.31 2kc1 s LYS 66 Ca 0.11 -1.67 0.03 0.00 -1.36 0.00 0.00 55.97 53.09 2kc1 s LYS 66 Cb 0.08 -1.90 0.02 0.00 -1.68 0.00 0.00 37.83 34.35 2kc1 s LYS 66 CO 0.05 0.32 0.68 0.00 -0.76 0.00 0.00 175.35 175.65 2kc1 s ALA 67 N -2.46 4.06 0.19 5.17 0.00 -1.26 -0.03 121.76 127.43 2kc1 s ALA 67 Ca 0.31 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2kc1 s ALA 67 Cb -0.05 -1.94 0.10 0.00 0.00 0.00 0.00 23.12 21.23 2kc1 s ALA 67 CO 0.17 -0.52 1.47 -0.07 0.00 0.00 0.00 175.76 176.81 2kc1 h LEU 68 N 0.33 0.48 -1.87 0.00 3.38 -0.91 -2.97 115.31 113.75 2kc1 h LEU 68 Ca -0.42 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.22 2kc1 h LEU 68 Cb 1.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2kc1 h LEU 68 CO 0.51 1.02 -0.13 -0.78 0.09 0.00 0.00 178.44 179.15 2kc1 h ASP 69 N 0.30 0.00 -0.80 -0.43 3.58 -1.69 -2.33 116.42 115.03 2kc1 h ASP 69 Ca -0.02 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.56 2kc1 h ASP 69 Cb 1.23 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.22 2kc1 h ASP 69 CO 0.12 0.13 0.53 0.22 -2.88 0.00 0.00 179.24 177.35 2kc1 h TYR 70 N 0.00 0.70 -0.45 0.28 3.20 -1.78 -1.34 116.97 117.57 2kc1 h TYR 70 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2kc1 h TYR 70 Cb 0.35 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2kc1 h TYR 70 CO 0.00 0.29 0.00 0.66 -1.64 0.00 0.00 178.16 177.47 2kc1 n TYR 71 N -4.52 0.59 -2.98 -3.82 4.02 -0.88 -4.93 117.16 104.65 2kc1 n TYR 71 Ca 0.15 -0.30 -0.22 0.00 -0.01 0.00 0.00 57.90 57.52 2kc1 n TYR 71 Cb 0.43 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.78 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 1.26 -4.61 -1.93 -0.72 2.81 -0.51 -4.92 117.12 108.50 2kc1 n MET 72 Ca 0.20 0.91 -0.41 0.00 -1.81 0.00 0.00 57.70 56.58 2kc1 n MET 72 Cb 0.54 -5.76 -0.02 0.00 -0.71 0.00 0.00 33.22 27.26 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 -6.64 4.37 0.27 4.03 1.43 -1.24 -5.00 118.68 115.91 2kc1 s LEU 73 Ca 0.28 2.74 0.11 0.00 -1.03 0.00 0.00 54.13 56.23 2kc1 s LEU 73 Cb -0.12 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2kc1 s LEU 73 CO 0.35 -0.78 -0.15 -0.13 0.23 0.00 0.00 176.35 175.87 2kc1 s ARG 74 N -0.18 1.83 -0.22 1.70 0.52 -1.26 -4.90 118.95 116.45 2kc1 s ARG 74 Ca 0.62 -1.67 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 2kc1 s ARG 74 Cb -0.44 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 2kc1 s ARG 74 CO 0.43 0.34 1.82 0.54 0.02 0.00 0.00 175.30 178.45 2kc1 s ASN 75 N -3.53 6.08 0.00 0.23 2.20 -1.25 -1.60 114.94 117.07 2kc1 s ASN 75 Ca 0.30 1.71 0.00 0.00 -0.94 0.00 0.00 52.86 53.93 2kc1 s ASN 75 Cb -0.05 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.67 2kc1 s ASN 75 CO 0.16 -1.49 0.00 0.61 -2.94 0.00 0.00 177.10 173.44 2kc1 n GLY 76 N 5.06 1.96 3.78 0.45 0.00 0.65 -4.94 105.19 112.15 2kc1 n GLY 76 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.93 4.79 -0.10 1.61 1.01 -0.63 -4.71 116.67 116.70 2kc1 s ASP 77 Ca 0.00 1.84 0.01 0.00 0.71 0.00 0.00 52.55 55.10 2kc1 s ASP 77 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2kc1 s ASP 77 CO 0.00 -1.84 -0.12 -0.89 0.21 0.00 0.00 175.17 172.53 2kc1 s THR 78 N -2.78 3.20 -0.03 -1.27 2.01 -1.26 -0.24 115.64 115.27 2kc1 s THR 78 Ca 0.62 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2kc1 s THR 78 Cb -0.17 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.04 2kc1 s THR 78 CO 0.52 0.55 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.67 2kc1 s MET 79 N -0.05 0.32 -0.43 4.92 1.75 0.38 -2.76 119.30 123.43 2kc1 s MET 79 Ca -0.02 0.04 -0.16 0.00 -1.25 0.00 0.00 55.69 54.30 2kc1 s MET 79 Cb -0.14 -0.46 0.03 0.00 2.84 0.00 0.00 34.83 37.10 2kc1 s MET 79 CO 0.04 -0.10 0.39 -1.21 -0.65 0.00 0.00 175.02 173.48 2kc1 s GLU 80 N 0.84 3.03 -0.58 4.11 2.02 0.14 -1.30 118.70 126.96 2kc1 s GLU 80 Ca -0.09 -0.98 -0.28 0.00 0.02 0.00 0.00 54.97 53.65 2kc1 s GLU 80 Cb -0.12 -4.01 0.01 0.00 0.10 0.00 0.00 34.13 30.11 2kc1 s GLU 80 CO -0.01 -0.87 1.50 -0.47 0.02 0.00 0.00 175.26 175.42 2kc1 s TYR 81 N 1.90 2.15 0.25 1.61 5.04 0.04 -0.96 117.35 127.37 2kc1 s TYR 81 Ca 0.08 0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 55.11 2kc1 s TYR 81 Cb -0.19 -4.35 -0.02 0.00 0.35 0.00 0.00 41.96 37.75 2kc1 s TYR 81 CO 0.11 -2.10 0.36 -0.98 -1.34 0.00 0.00 175.55 171.60 2kc1 s ARG 82 N 5.80 1.49 -0.15 4.97 1.70 -0.42 -1.64 118.95 130.70 2kc1 s ARG 82 Ca 0.54 -1.45 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 2kc1 s ARG 82 Cb -0.11 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 2kc1 s ARG 82 CO 0.23 -0.58 1.29 0.21 -1.08 0.00 0.00 175.30 175.37 2kc1 s LYS 83 N -3.93 4.24 0.19 3.89 2.20 -1.26 -0.05 119.74 125.02 2kc1 s LYS 83 Ca 0.29 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 57.30 2kc1 s LYS 83 Cb 0.02 -3.76 -0.08 0.00 -1.51 0.00 0.00 37.83 32.50 2kc1 s LYS 83 CO 0.12 -0.69 1.10 -1.59 -0.36 0.00 0.00 175.35 173.92 2kc1 s LYS 84 N 3.41 4.60 0.00 4.03 -2.85 -0.91 -4.89 119.74 123.14 2kc1 s LYS 84 Ca 0.56 1.72 0.27 0.00 -1.00 0.00 0.00 55.97 57.52 2kc1 s LYS 84 Cb -0.23 -3.27 1.63 0.00 -2.06 0.00 0.00 37.83 33.90 2kc1 s LYS 84 CO 0.16 0.09 1.97 1.04 0.10 0.00 0.00 175.35 178.72