#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 0.85 -0.05 -0.61 -0.00 -1.26 -5.11 121.20 115.02 2kc1 s ILE -4 Ca 0.00 -1.01 -0.30 0.00 -0.00 0.00 0.00 60.65 59.35 2kc1 s ILE -4 Cb 0.00 -0.82 -0.05 0.00 -0.00 0.00 0.00 42.46 41.59 2kc1 s ILE -4 CO 0.00 -0.16 1.57 -0.62 -0.00 0.00 0.00 174.94 175.73 2kc1 s ASP -3 N -1.30 6.72 0.48 4.36 2.15 -1.26 -4.99 116.67 122.83 2kc1 s ASP -3 Ca -0.03 2.18 -0.20 0.00 0.43 0.00 0.00 52.55 54.94 2kc1 s ASP -3 Cb -0.08 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 39.91 2kc1 s ASP -3 CO 0.01 -0.87 1.00 -2.84 -0.17 0.00 0.00 175.17 172.29 2kc1 s PRO -2 N 3.60 3.95 0.00 4.34 0.02 -1.25 -4.90 135.00 140.75 2kc1 s PRO -2 Ca 0.70 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.90 2kc1 s PRO -2 Cb -0.32 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.07 2kc1 s PRO -2 CO 0.28 -0.28 0.00 1.97 -0.33 0.00 0.00 177.00 178.64 2kc1 n PHE -1 N -1.03 0.00 -2.55 6.54 -1.74 -1.26 -4.55 117.46 112.86 2kc1 n PHE -1 Ca 0.08 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.54 2kc1 n PHE -1 Cb 0.53 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.51 2kc1 n PHE -1 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2kc1 s THR 0 N 0.00 4.47 0.00 1.97 2.01 -1.26 -4.78 115.64 118.05 2kc1 s THR 0 Ca 0.00 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.76 2kc1 s THR 0 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2kc1 s THR 0 CO 0.00 -0.24 0.00 0.23 -0.69 0.00 0.00 174.62 173.92 2kc1 n MET 1 N 6.60 0.00 -2.26 4.92 2.81 -1.26 -4.08 117.12 123.85 2kc1 n MET 1 Ca 0.13 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.59 2kc1 n MET 1 Cb 0.46 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.94 2kc1 n MET 1 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kc1 s VAL 2 N 0.00 3.80 -0.02 2.03 0.11 -1.26 -4.99 120.40 120.06 2kc1 s VAL 2 Ca 0.00 0.82 0.05 0.00 -2.93 0.00 0.00 61.98 59.92 2kc1 s VAL 2 Cb 0.00 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2kc1 s VAL 2 CO 0.00 -0.64 -0.17 0.00 -3.33 0.00 0.00 175.10 170.96 2kc1 s ALA 3 N 5.72 2.58 -0.65 1.54 0.00 -1.26 -4.53 121.76 125.16 2kc1 s ALA 3 Ca 0.66 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 2kc1 s ALA 3 Cb -0.16 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.13 2kc1 s ALA 3 CO 0.32 0.56 1.27 -0.51 0.00 0.00 0.00 175.76 177.40 2kc1 s LEU 4 N -0.91 3.31 -0.58 0.00 1.02 0.13 -4.75 118.68 116.89 2kc1 s LEU 4 Ca 0.12 -0.13 -0.23 0.00 0.02 0.00 0.00 54.13 53.91 2kc1 s LEU 4 Cb -0.10 -2.86 0.05 0.00 0.02 0.00 0.00 46.19 43.30 2kc1 s LEU 4 CO 0.02 -1.69 0.91 -0.44 0.02 0.00 0.00 176.35 175.16 2kc1 s SER 5 N 3.60 6.26 0.13 2.29 0.01 -1.26 -0.26 113.70 124.47 2kc1 s SER 5 Ca 0.41 -0.65 0.06 0.00 1.31 0.00 0.00 55.95 57.08 2kc1 s SER 5 Cb -0.08 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2kc1 s SER 5 CO 0.20 -1.27 0.01 -0.76 0.41 0.00 0.00 173.24 171.84 2kc1 s LEU 6 N 3.83 3.43 -0.55 2.44 1.02 0.35 0.41 118.68 129.62 2kc1 s LEU 6 Ca 0.26 -0.27 -0.21 0.00 0.02 0.00 0.00 54.13 53.93 2kc1 s LEU 6 Cb -0.15 -2.12 0.06 0.00 0.02 0.00 0.00 46.19 44.00 2kc1 s LEU 6 CO 0.15 0.13 0.77 -0.54 0.02 0.00 0.00 176.35 176.88 2kc1 s LYS 7 N -2.66 3.18 -0.29 1.70 1.02 0.83 0.27 119.74 123.79 2kc1 s LYS 7 Ca 0.27 -0.72 -0.24 0.00 0.02 0.00 0.00 55.97 55.29 2kc1 s LYS 7 Cb -0.10 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.09 2kc1 s LYS 7 CO 0.19 -1.40 0.84 0.42 -0.92 0.00 0.00 175.35 174.47 2kc1 s ILE 8 N 3.22 4.77 -0.34 2.17 -1.09 0.13 -0.86 121.20 129.21 2kc1 s ILE 8 Ca 0.20 1.35 -0.13 0.00 -2.23 0.00 0.00 60.65 59.85 2kc1 s ILE 8 Cb -0.17 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 2kc1 s ILE 8 CO 0.14 -0.23 0.23 -0.55 -1.23 0.00 0.00 174.94 173.30 2kc1 s SER 9 N 1.55 5.99 -0.41 3.58 0.15 0.33 -0.11 113.70 124.78 2kc1 s SER 9 Ca 0.35 -0.50 -0.02 0.00 0.70 0.00 0.00 55.95 56.48 2kc1 s SER 9 Cb -0.14 -2.12 0.11 0.00 -1.71 0.00 0.00 66.02 62.16 2kc1 s SER 9 CO 0.11 -0.25 0.19 -0.63 1.20 0.00 0.00 173.24 173.86 2kc1 s ILE 10 N 1.70 3.13 0.00 6.45 1.01 0.61 -0.96 121.20 133.14 2kc1 s ILE 10 Ca 0.06 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 58.53 2kc1 s ILE 10 Cb -0.18 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2kc1 s ILE 10 CO 0.10 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 174.96 2kc1 n GLY 11 N 4.45 1.04 0.00 6.18 0.00 -1.26 -0.98 105.19 114.62 2kc1 n GLY 11 Ca -0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 5.42 1.01 -4.46 1.61 3.02 -1.26 -4.97 115.26 115.63 2kc1 n ASN 12 Ca 0.00 -1.09 -0.43 0.00 -0.03 0.00 0.00 54.58 53.02 2kc1 n ASN 12 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.09 5.01 -0.39 2.41 1.01 -0.15 -5.03 120.40 123.16 2kc1 s VAL 13 Ca 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 2kc1 s VAL 13 Cb 0.00 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2kc1 s VAL 13 CO 0.00 -0.60 0.26 -0.69 0.00 0.00 0.00 175.10 174.07 2kc1 s VAL 14 N 2.31 4.98 -0.16 2.92 1.01 -1.26 -0.28 120.40 129.92 2kc1 s VAL 14 Ca 0.13 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.40 2kc1 s VAL 14 Cb -0.19 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2kc1 s VAL 14 CO 0.12 -0.27 -0.20 -0.54 0.00 0.00 0.00 175.10 174.21 2kc1 s LYS 15 N 1.63 3.02 -0.37 2.72 -0.14 0.85 -4.89 119.74 122.56 2kc1 s LYS 15 Ca 0.04 -0.83 -0.28 0.00 -1.36 0.00 0.00 55.97 53.53 2kc1 s LYS 15 Cb -0.19 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.42 2kc1 s LYS 15 CO 0.09 -0.13 1.69 0.99 -0.76 0.00 0.00 175.35 177.23 2kc1 s THR 16 N 1.09 3.59 -0.06 2.17 2.01 -1.26 0.22 115.64 123.40 2kc1 s THR 16 Ca -0.00 0.60 0.02 0.00 0.31 0.00 0.00 61.69 62.62 2kc1 s THR 16 Cb -0.14 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2kc1 s THR 16 CO -0.08 -0.54 -0.11 -0.04 -0.69 0.00 0.00 174.62 173.16 2kc1 s MET 17 N 5.51 2.66 -0.31 4.92 -1.94 0.14 -4.94 119.30 125.35 2kc1 s MET 17 Ca 0.74 -0.63 -0.14 0.00 -1.71 0.00 0.00 55.69 53.94 2kc1 s MET 17 Cb -0.19 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.14 2kc1 s MET 17 CO 0.33 0.61 0.32 -0.65 -0.01 0.00 0.00 175.02 175.62 2kc1 s GLN 18 N -0.68 3.77 0.18 2.03 -0.21 -1.26 -0.50 119.66 122.99 2kc1 s GLN 18 Ca 0.10 -0.28 0.09 0.00 0.02 0.00 0.00 55.36 55.29 2kc1 s GLN 18 Cb -0.11 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 30.13 2kc1 s GLN 18 CO 0.01 -0.37 -0.08 -0.06 -2.12 0.00 0.00 175.29 172.67 2kc1 s PHE 19 N 1.96 2.68 0.36 0.91 0.08 0.64 -3.91 117.98 120.69 2kc1 s PHE 19 Ca 0.11 -0.20 -0.24 0.00 0.12 0.00 0.00 56.93 56.72 2kc1 s PHE 19 Cb -0.16 -1.31 -0.10 0.00 -0.57 0.00 0.00 43.02 40.88 2kc1 s PHE 19 CO 0.11 0.51 0.96 -1.21 -0.10 0.00 0.00 175.22 175.49 2kc1 s GLU 20 N -2.84 4.44 0.22 0.44 0.41 -1.26 0.20 118.70 120.31 2kc1 s GLU 20 Ca 0.25 1.29 -0.08 0.00 -0.41 0.00 0.00 54.97 56.02 2kc1 s GLU 20 Cb -0.09 -2.60 0.19 0.00 -1.78 0.00 0.00 34.13 29.85 2kc1 s GLU 20 CO 0.16 0.15 1.85 -1.35 -0.49 0.00 0.00 175.26 175.58 2kc1 h PRO 21 N 2.75 1.18 -0.21 0.39 0.11 -1.93 -1.95 132.00 132.34 2kc1 h PRO 21 Ca -0.48 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.51 2kc1 h PRO 21 Cb 1.19 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2kc1 h PRO 21 CO 0.64 0.86 0.00 0.45 -0.21 0.00 0.00 178.00 179.73 2kc1 n SER 22 N -4.39 1.15 -4.71 -2.05 2.88 -1.26 -2.48 113.62 102.76 2kc1 n SER 22 Ca 0.09 -1.96 -0.42 0.00 -1.33 0.00 0.00 58.87 55.24 2kc1 n SER 22 Cb 0.08 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.37 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 -1.72 3.63 0.62 2.46 2.01 -0.73 -4.84 115.64 117.06 2kc1 s THR 23 Ca 0.16 1.14 -0.14 0.00 0.31 0.00 0.00 61.69 63.16 2kc1 s THR 23 Cb 0.08 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2kc1 s THR 23 CO 0.11 0.07 1.05 -0.04 -0.69 0.00 0.00 174.62 175.12 2kc1 s MET 24 N 1.40 3.28 0.22 4.92 -1.94 -1.26 -0.77 119.30 125.15 2kc1 s MET 24 Ca 0.63 1.05 -0.09 0.00 -1.71 0.00 0.00 55.69 55.57 2kc1 s MET 24 Cb -0.33 -2.03 0.17 0.00 2.01 0.00 0.00 34.83 34.65 2kc1 s MET 24 CO 0.29 -0.83 1.83 0.28 -0.01 0.00 0.00 175.02 176.58 2kc1 h VAL 25 N 0.03 1.24 0.00 -6.03 2.07 -0.56 0.27 116.25 113.27 2kc1 h VAL 25 Ca -0.46 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 2kc1 h VAL 25 Cb 1.21 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2kc1 h VAL 25 CO 0.58 0.27 -0.26 0.10 0.02 0.00 0.00 177.57 178.29 2kc1 h TYR 26 N 1.13 0.00 0.12 1.57 -0.00 -1.80 -1.19 116.97 116.80 2kc1 h TYR 26 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.74 2kc1 h TYR 26 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.77 2kc1 h TYR 26 CO 0.01 0.26 -1.31 0.22 -0.00 0.00 0.00 178.16 177.33 2kc1 h ASP 27 N 0.00 0.39 -0.66 0.10 3.58 -1.51 -2.00 116.42 116.33 2kc1 h ASP 27 Ca -0.00 -0.45 -0.06 0.00 0.42 0.00 0.00 57.03 56.94 2kc1 h ASP 27 Cb 0.58 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 2kc1 h ASP 27 CO 0.03 1.36 0.17 0.00 -2.88 0.00 0.00 179.24 177.92 2kc1 h ALA 28 N 0.58 1.02 -0.73 -0.78 0.00 -0.18 -0.98 119.26 118.20 2kc1 h ALA 28 Ca -0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kc1 h ALA 28 Cb 1.98 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 2kc1 h ALA 28 CO 0.19 0.64 0.44 0.00 0.00 0.00 0.00 179.25 180.52 2kc1 h ARG 30 N 1.00 0.39 -0.07 0.00 2.43 -0.64 -1.20 114.38 116.28 2kc1 h ARG 30 Ca 0.26 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2kc1 h ARG 30 Cb -0.04 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2kc1 h ARG 30 CO -0.05 0.26 -0.44 0.52 -1.51 0.00 0.00 179.97 178.75 2kc1 h MET 31 N 0.40 0.42 -0.18 0.20 2.86 -0.31 -3.15 114.93 115.16 2kc1 h MET 31 Ca 0.24 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2kc1 h MET 31 Cb 0.44 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2kc1 h MET 31 CO -0.06 1.00 0.00 0.82 1.06 0.00 0.00 176.91 179.73 2kc1 h ILE 32 N -0.04 1.25 -0.88 -1.22 2.04 -0.76 -0.60 117.51 117.31 2kc1 h ILE 32 Ca -0.04 -0.85 0.18 0.00 1.00 0.00 0.00 64.86 65.15 2kc1 h ILE 32 Cb 1.10 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.57 2kc1 h ILE 32 CO 0.09 0.26 0.57 0.08 0.00 0.00 0.00 178.15 179.15 2kc1 h ARG 33 N 0.08 0.49 0.00 2.37 0.11 -1.35 0.99 114.38 117.07 2kc1 h ARG 33 Ca 0.05 -0.03 -0.24 0.00 0.10 0.00 0.00 59.98 59.87 2kc1 h ARG 33 Cb 0.38 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.31 2kc1 h ARG 33 CO 0.01 0.32 -1.26 0.93 0.10 0.00 0.00 179.97 180.07 2kc1 h GLU 34 N 0.50 0.00 0.02 0.08 5.08 -1.44 -3.37 114.58 115.45 2kc1 h GLU 34 Ca 0.45 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.47 2kc1 h GLU 34 Cb 0.97 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 2kc1 h GLU 34 CO -0.18 0.77 -2.06 0.54 -1.00 0.00 0.00 179.01 177.08 2kc1 n ARG 35 N -3.22 0.68 -4.10 2.33 5.12 -0.26 -4.83 116.66 112.38 2kc1 n ARG 35 Ca -0.06 0.18 -0.30 0.00 -1.93 0.00 0.00 57.85 55.74 2kc1 n ARG 35 Cb 0.97 -1.66 -0.16 0.00 -1.16 0.00 0.00 32.46 30.44 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 -2.55 1.56 -0.03 0.55 1.01 0.33 -5.02 121.20 117.04 2kc1 s ILE 36 Ca -0.14 -0.63 0.29 0.00 0.00 0.00 0.00 60.65 60.17 2kc1 s ILE 36 Cb 0.07 -1.46 0.35 0.00 0.01 0.00 0.00 42.46 41.43 2kc1 s ILE 36 CO 0.79 0.46 1.85 1.55 0.00 0.00 0.00 174.94 179.58 2kc1 h PRO 37 N 7.94 0.00 0.00 2.79 0.13 -1.78 -3.09 132.00 137.99 2kc1 h PRO 37 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 2kc1 h PRO 37 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kc1 h PRO 37 CO 0.52 0.05 -0.12 1.49 -0.23 0.00 0.00 178.00 179.71 2kc1 h GLU 38 N 0.00 0.00 -0.01 0.86 4.81 -1.90 -0.77 114.58 117.57 2kc1 h GLU 38 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kc1 h GLU 38 Cb 0.69 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2kc1 h GLU 38 CO 0.01 0.12 0.02 0.00 -0.73 0.00 0.00 179.01 178.43 2kc1 h ALA 39 N 1.88 1.37 -0.37 2.92 0.00 -1.84 -1.97 119.26 121.24 2kc1 h ALA 39 Ca -0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2kc1 h ALA 39 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 2kc1 h ALA 39 CO 0.02 -0.02 0.20 1.28 0.00 0.00 0.00 179.25 180.72 2kc1 n LEU 40 N -3.58 4.14 0.04 0.00 4.77 -0.29 -4.20 117.00 117.86 2kc1 n LEU 40 Ca -0.03 -2.14 0.11 0.00 -0.03 0.00 0.00 56.01 53.92 2kc1 n LEU 40 Cb 0.09 -0.63 0.45 0.00 -2.33 0.00 0.00 43.42 41.01 2kc1 n LEU 40 CO 0.25 0.64 0.85 0.00 -1.33 0.00 0.00 177.39 177.79 2kc1 n ALA 41 N -0.06 1.95 -3.00 -1.18 0.00 -0.74 -4.91 120.51 112.57 2kc1 n ALA 41 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2kc1 n ALA 41 Cb 0.90 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.64 1.79 3.77 0.00 0.00 -1.26 -5.15 105.19 104.97 2kc1 n GLY 42 Ca 0.05 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.05 4.06 0.37 1.61 0.02 -1.26 -4.93 135.00 133.82 2kc1 s PRO 43 Ca 0.00 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.10 2kc1 s PRO 43 Cb 0.00 -2.78 0.72 0.00 0.02 0.00 0.00 34.50 32.46 2kc1 s PRO 43 CO 0.00 -0.37 1.96 -1.35 -0.33 0.00 0.00 177.00 176.91 2kc1 h PRO 44 N 2.78 0.53 0.00 5.54 0.11 -1.92 -1.17 132.00 137.87 2kc1 h PRO 44 Ca -0.49 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2kc1 h PRO 44 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kc1 h PRO 44 CO 0.63 0.47 -0.60 -1.71 -0.21 0.00 0.00 178.00 176.57 2kc1 n ASN 45 N -4.37 0.63 0.09 -2.05 5.15 -1.26 -3.56 115.26 109.89 2kc1 n ASN 45 Ca 0.02 0.04 -0.08 0.00 -0.60 0.00 0.00 54.58 53.96 2kc1 n ASN 45 Cb 0.16 0.19 -0.04 0.00 -0.53 0.00 0.00 39.78 39.56 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 0.17 -2.07 1.20 1.82 -1.61 -3.45 116.42 112.48 2kc1 h ASP 46 Ca 0.00 -0.15 -0.46 0.00 -0.39 0.00 0.00 57.03 56.02 2kc1 h ASP 46 Cb 0.69 -0.05 0.07 0.00 0.68 0.00 0.00 39.33 40.71 2kc1 h ASP 46 CO 0.00 1.00 0.05 -0.36 -1.61 0.00 0.00 179.24 178.32 2kc1 s PHE 47 N -3.04 1.85 0.03 0.28 0.40 -0.87 0.22 117.98 116.85 2kc1 s PHE 47 Ca -0.02 -0.27 -0.28 0.00 -0.60 0.00 0.00 56.93 55.76 2kc1 s PHE 47 Cb 0.10 -2.84 0.10 0.00 0.51 0.00 0.00 43.02 40.89 2kc1 s PHE 47 CO 0.82 -1.45 1.22 0.20 0.70 0.00 0.00 175.22 176.71 2kc1 s GLY 48 N -4.66 -0.25 -0.17 4.36 0.00 0.87 -4.63 107.32 102.85 2kc1 s GLY 48 Ca 0.64 0.31 -0.19 0.00 0.00 0.00 0.00 44.72 45.48 2kc1 s GLY 48 CO 0.42 1.92 0.54 1.08 0.00 0.00 0.00 173.10 177.07 2kc1 s LEU 49 N -3.26 4.19 -0.30 0.66 1.43 -1.26 -1.49 118.68 118.65 2kc1 s LEU 49 Ca 0.19 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2kc1 s LEU 49 Cb 0.02 -2.77 0.05 0.00 0.03 0.00 0.00 46.19 43.52 2kc1 s LEU 49 CO -0.01 -0.15 -0.00 0.12 0.23 0.00 0.00 176.35 176.54 2kc1 s PHE 50 N 1.38 3.28 -0.11 0.29 5.36 -0.41 -1.07 117.98 126.69 2kc1 s PHE 50 Ca 0.26 -1.93 -0.29 0.00 -0.96 0.00 0.00 56.93 54.01 2kc1 s PHE 50 Cb -0.16 -2.13 -0.05 0.00 -0.34 0.00 0.00 43.02 40.34 2kc1 s PHE 50 CO 0.10 -0.82 1.76 -1.17 -1.46 0.00 0.00 175.22 173.64 2kc1 s LEU 51 N 1.23 4.10 -0.11 6.12 0.20 0.31 -0.12 118.68 130.41 2kc1 s LEU 51 Ca -0.05 2.07 -0.14 0.00 0.69 0.00 0.00 54.13 56.70 2kc1 s LEU 51 Cb -0.20 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 2kc1 s LEU 51 CO -0.01 -1.18 0.34 -0.44 -0.29 0.00 0.00 176.35 174.77 2kc1 s SER 52 N 4.40 6.56 0.00 3.68 0.01 -0.35 -2.75 113.70 125.25 2kc1 s SER 52 Ca 0.79 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2kc1 s SER 52 Cb -0.32 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2kc1 s SER 52 CO 0.32 0.15 0.00 -0.67 0.41 0.00 0.00 173.24 173.45 2kc1 n ASP 53 N 3.11 1.64 0.07 2.44 2.03 -1.26 -4.38 116.55 120.19 2kc1 n ASP 53 Ca -0.12 -0.01 -0.02 0.00 0.52 0.00 0.00 54.79 55.16 2kc1 n ASP 53 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.86 2kc1 n ASP 53 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kc1 h ASP 54 N 0.00 0.00 -3.88 1.67 3.58 -1.97 -3.45 116.42 112.38 2kc1 h ASP 54 Ca 0.00 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.77 2kc1 h ASP 54 Cb 0.00 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 40.80 2kc1 h ASP 54 CO 0.00 0.71 -0.78 -0.62 -2.88 0.00 0.00 179.24 175.66 2kc1 s ASP 55 N -6.32 3.90 0.58 2.28 -1.08 -1.26 -5.02 116.67 109.75 2kc1 s ASP 55 Ca 0.01 -0.27 0.29 0.00 -0.52 0.00 0.00 52.55 52.05 2kc1 s ASP 55 Cb 0.08 -1.02 1.77 0.00 -1.46 0.00 0.00 42.92 42.30 2kc1 s ASP 55 CO 0.79 0.29 2.24 1.55 0.52 0.00 0.00 175.17 180.56 2kc1 h PRO 56 N 5.75 0.00 0.00 4.34 0.13 -1.98 -1.33 132.00 138.91 2kc1 h PRO 56 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2kc1 h PRO 56 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kc1 h PRO 56 CO 0.51 0.01 -0.27 1.63 -0.23 0.00 0.00 178.00 179.65 2kc1 n LYS 57 N -3.89 0.10 0.02 0.86 5.02 -1.26 -2.99 118.16 116.02 2kc1 n LYS 57 Ca -0.03 0.05 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 2kc1 n LYS 57 Cb 0.09 -1.58 0.21 0.00 -0.02 0.00 0.00 35.03 33.73 2kc1 n LYS 57 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kc1 n LYS 58 N -1.74 0.12 -2.45 1.97 4.76 -0.51 -4.87 118.16 115.44 2kc1 n LYS 58 Ca 0.06 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 2kc1 n LYS 58 Cb 0.37 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 2kc1 n LYS 58 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2kc1 s GLY 59 N -3.27 2.54 0.25 0.72 0.00 -1.16 -4.77 107.32 101.63 2kc1 s GLY 59 Ca 0.09 0.83 0.11 0.00 0.00 0.00 0.00 44.72 45.74 2kc1 s GLY 59 CO 0.71 1.93 -0.18 -0.26 0.00 0.00 0.00 173.10 175.30 2kc1 s ILE 60 N 0.74 2.22 -0.29 0.90 -4.36 -1.11 -4.91 121.20 114.39 2kc1 s ILE 60 Ca 0.56 -2.33 -0.18 0.00 -0.26 0.00 0.00 60.65 58.44 2kc1 s ILE 60 Cb -0.29 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.20 2kc1 s ILE 60 CO 0.31 -0.46 0.53 0.26 0.24 0.00 0.00 174.94 175.82 2kc1 s TRP 61 N -2.64 3.23 0.06 1.37 0.52 -1.26 -0.53 118.94 119.68 2kc1 s TRP 61 Ca 0.27 0.49 -0.31 0.00 0.02 0.00 0.00 56.10 56.58 2kc1 s TRP 61 Cb -0.04 -2.83 -0.07 0.00 -1.15 0.00 0.00 33.47 29.39 2kc1 s TRP 61 CO 0.12 -0.39 1.39 -0.51 0.02 0.00 0.00 176.95 177.58 2kc1 s LEU 62 N 2.39 4.35 0.14 2.99 1.02 -0.24 -4.99 118.68 124.35 2kc1 s LEU 62 Ca 0.21 2.20 -0.30 0.00 0.02 0.00 0.00 54.13 56.26 2kc1 s LEU 62 Cb -0.15 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.42 2kc1 s LEU 62 CO 0.11 -0.67 1.07 -1.61 0.02 0.00 0.00 176.35 175.26 2kc1 s GLU 63 N 1.75 4.61 0.43 1.70 2.02 -1.26 -4.53 118.70 123.42 2kc1 s GLU 63 Ca 0.64 1.64 0.18 0.00 0.02 0.00 0.00 54.97 57.45 2kc1 s GLU 63 Cb -0.34 -3.32 1.10 0.00 0.10 0.00 0.00 34.13 31.67 2kc1 s GLU 63 CO 0.28 0.09 1.88 0.00 0.02 0.00 0.00 175.26 177.53 2kc1 h ALA 64 N 5.42 2.21 -0.03 5.21 0.00 -1.94 -0.02 119.26 130.11 2kc1 h ALA 64 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kc1 h ALA 64 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kc1 h ALA 64 CO 0.73 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2kc1 n GLY 65 N -1.53 -0.70 3.83 0.00 0.00 -1.26 -3.03 105.19 102.50 2kc1 n GLY 65 Ca 0.17 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2kc1 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc1 s LYS 66 N -1.97 2.50 0.38 1.61 -0.14 -0.02 -4.96 119.74 117.13 2kc1 s LYS 66 Ca 0.36 -1.54 0.07 0.00 -1.36 0.00 0.00 55.97 53.50 2kc1 s LYS 66 Cb 0.17 -2.30 -0.01 0.00 -1.68 0.00 0.00 37.83 34.01 2kc1 s LYS 66 CO 0.28 -0.07 0.40 0.00 -0.76 0.00 0.00 175.35 175.20 2kc1 s ALA 67 N -2.45 4.11 0.07 5.17 0.00 -1.26 -0.15 121.76 127.24 2kc1 s ALA 67 Ca 0.44 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 2kc1 s ALA 67 Cb -0.02 -1.30 -0.11 0.00 0.00 0.00 0.00 23.12 21.69 2kc1 s ALA 67 CO 0.26 -0.13 1.43 -0.07 0.00 0.00 0.00 175.76 177.25 2kc1 h LEU 68 N 1.00 0.45 -1.87 0.00 3.38 -1.10 -2.82 115.31 114.35 2kc1 h LEU 68 Ca -0.43 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.13 2kc1 h LEU 68 Cb 1.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2kc1 h LEU 68 CO 0.55 0.75 0.07 -0.78 0.09 0.00 0.00 178.44 179.12 2kc1 h ASP 69 N 0.14 0.14 0.05 -0.43 3.58 -1.74 -1.21 116.42 116.95 2kc1 h ASP 69 Ca 0.05 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2kc1 h ASP 69 Cb 0.58 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 2kc1 h ASP 69 CO 0.03 0.11 -0.03 0.22 -2.88 0.00 0.00 179.24 176.68 2kc1 h TYR 70 N 0.16 0.00 -0.56 0.28 3.20 -1.78 -1.54 116.97 116.74 2kc1 h TYR 70 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2kc1 h TYR 70 Cb -0.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2kc1 h TYR 70 CO 0.00 0.03 0.00 0.66 -1.64 0.00 0.00 178.16 177.21 2kc1 n TYR 71 N -4.21 1.74 -1.98 -3.82 4.01 -0.46 -4.91 117.16 107.53 2kc1 n TYR 71 Ca -0.03 -0.63 -0.17 0.00 -0.16 0.00 0.00 57.90 56.91 2kc1 n TYR 71 Cb 0.12 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 38.72 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 0.75 -1.28 -2.41 -0.72 2.81 -0.58 -4.96 117.12 110.73 2kc1 n MET 72 Ca 0.25 0.94 -0.38 0.00 -1.81 0.00 0.00 57.70 56.70 2kc1 n MET 72 Cb 1.02 -5.29 -0.03 0.00 -0.71 0.00 0.00 33.22 28.21 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 -4.46 4.19 0.30 4.03 1.43 -1.18 -5.05 118.68 117.94 2kc1 s LEU 73 Ca 0.00 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 2kc1 s LEU 73 Cb 0.00 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 2kc1 s LEU 73 CO 0.00 -0.57 0.16 -0.13 0.23 0.00 0.00 176.35 176.05 2kc1 s ARG 74 N -2.32 1.59 -0.33 1.70 0.52 -1.26 -4.76 118.95 114.09 2kc1 s ARG 74 Ca 0.57 -1.91 -0.29 0.00 -0.52 0.00 0.00 55.73 53.58 2kc1 s ARG 74 Cb -0.27 -0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.13 2kc1 s ARG 74 CO 0.34 -0.45 1.28 0.54 0.02 0.00 0.00 175.30 177.03 2kc1 s ASN 75 N -3.37 6.65 0.00 0.23 4.22 -1.26 -2.88 114.94 118.53 2kc1 s ASN 75 Ca 0.36 1.08 0.00 0.00 -2.14 0.00 0.00 52.86 52.16 2kc1 s ASN 75 Cb 0.05 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.04 2kc1 s ASN 75 CO 0.18 -1.12 0.00 0.61 -2.04 0.00 0.00 177.10 174.72 2kc1 n GLY 76 N 4.42 1.75 3.81 0.45 0.00 0.17 -4.89 105.19 110.89 2kc1 n GLY 76 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 5.01 -0.11 1.61 1.01 -1.14 -4.77 116.67 116.35 2kc1 s ASP 77 Ca 0.00 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.84 2kc1 s ASP 77 Cb 0.00 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 2kc1 s ASP 77 CO 0.00 -1.68 -0.11 -0.89 0.21 0.00 0.00 175.17 172.70 2kc1 s THR 78 N -3.04 3.29 -0.04 -1.27 2.01 -1.26 -0.12 115.64 115.21 2kc1 s THR 78 Ca 0.59 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2kc1 s THR 78 Cb -0.15 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2kc1 s THR 78 CO 0.55 0.54 -0.04 -0.32 -0.69 0.00 0.00 174.62 174.67 2kc1 s MET 79 N -0.06 0.70 -0.45 4.92 1.75 -0.04 -1.21 119.30 124.91 2kc1 s MET 79 Ca -0.01 -0.07 -0.14 0.00 -1.25 0.00 0.00 55.69 54.22 2kc1 s MET 79 Cb -0.14 -0.73 0.07 0.00 2.84 0.00 0.00 34.83 36.87 2kc1 s MET 79 CO 0.03 -0.08 0.35 -2.00 -0.65 0.00 0.00 175.02 172.67 2kc1 s GLU 80 N 0.87 2.87 -0.59 4.11 2.12 0.82 -0.51 118.70 128.40 2kc1 s GLU 80 Ca -0.11 -1.36 -0.28 0.00 0.36 0.00 0.00 54.97 53.59 2kc1 s GLU 80 Cb -0.14 -4.02 0.01 0.00 0.26 0.00 0.00 34.13 30.24 2kc1 s GLU 80 CO -0.00 -0.98 1.47 -0.47 -0.54 0.00 0.00 175.26 174.73 2kc1 s TYR 81 N 1.58 2.18 0.26 5.30 5.04 -0.14 -1.29 117.35 130.29 2kc1 s TYR 81 Ca 0.04 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.13 2kc1 s TYR 81 Cb -0.24 -4.38 -0.04 0.00 0.35 0.00 0.00 41.96 37.66 2kc1 s TYR 81 CO 0.06 -2.07 0.15 -0.98 -1.34 0.00 0.00 175.55 171.37 2kc1 s ARG 82 N 5.77 1.43 0.27 4.97 1.70 -0.56 -4.30 118.95 128.24 2kc1 s ARG 82 Ca 0.53 -1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 53.70 2kc1 s ARG 82 Cb -0.11 0.07 -0.09 0.00 -0.57 0.00 0.00 34.95 34.25 2kc1 s ARG 82 CO 0.23 -0.43 1.09 0.21 -1.08 0.00 0.00 175.30 175.33 2kc1 s LYS 83 N -3.94 4.64 0.31 3.89 2.20 -1.26 -0.09 119.74 125.50 2kc1 s LYS 83 Ca 0.38 1.79 -0.27 0.00 -0.36 0.00 0.00 55.97 57.51 2kc1 s LYS 83 Cb 0.06 -3.20 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 2kc1 s LYS 83 CO 0.16 0.21 1.03 0.15 -0.36 0.00 0.00 175.35 176.54 2kc1 s LYS 84 N -1.36 4.53 0.00 4.03 1.02 0.13 -4.84 119.74 123.26 2kc1 s LYS 84 Ca 0.45 1.58 0.00 0.00 0.02 0.00 0.00 55.97 58.02 2kc1 s LYS 84 Cb -0.32 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 2kc1 s LYS 84 CO 0.40 0.18 0.00 0.00 -0.92 0.00 0.00 175.35 175.01