#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 2.64 0.15 -0.61 -4.36 -1.26 -5.09 121.20 112.67 2kc1 s ILE -4 Ca 0.00 -0.70 -0.22 0.00 -0.26 0.00 0.00 60.65 59.47 2kc1 s ILE -4 Cb 0.00 -2.94 -0.08 0.00 1.25 0.00 0.00 42.46 40.70 2kc1 s ILE -4 CO 0.00 0.00 0.69 1.51 0.24 0.00 0.00 174.94 177.38 2kc1 s ASP -3 N -4.45 7.18 -0.05 4.36 -4.77 -1.26 -5.00 116.67 112.68 2kc1 s ASP -3 Ca 0.58 1.45 -0.30 0.00 -3.30 0.00 0.00 52.55 50.98 2kc1 s ASP -3 Cb -0.10 -2.43 -0.07 0.00 -1.09 0.00 0.00 42.92 39.24 2kc1 s ASP -3 CO 0.38 0.18 1.90 -2.84 0.70 0.00 0.00 175.17 175.49 2kc1 s PRO -2 N -1.39 3.96 0.01 2.11 0.02 -1.26 -4.99 135.00 133.46 2kc1 s PRO -2 Ca 0.36 2.33 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 2kc1 s PRO -2 Cb -0.20 -4.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.14 2kc1 s PRO -2 CO 0.22 -1.15 0.12 -0.59 -0.33 0.00 0.00 177.00 175.28 2kc1 s PHE -1 N 5.04 3.36 -0.49 6.54 -0.71 -1.26 -5.07 117.98 125.38 2kc1 s PHE -1 Ca 0.85 0.23 -0.15 0.00 -1.04 0.00 0.00 56.93 56.82 2kc1 s PHE -1 Cb -0.37 -1.74 0.10 0.00 -1.21 0.00 0.00 43.02 39.79 2kc1 s PHE -1 CO 0.37 0.57 0.42 0.99 -1.34 0.00 0.00 175.22 176.23 2kc1 s THR 0 N -1.28 5.07 0.00 -4.49 2.01 -1.26 -4.87 115.64 110.81 2kc1 s THR 0 Ca 0.26 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.94 2kc1 s THR 0 Cb -0.12 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2kc1 s THR 0 CO 0.18 -0.70 0.00 0.23 -0.69 0.00 0.00 174.62 173.63 2kc1 n MET 1 N 5.18 0.00 -3.91 4.92 2.81 -1.26 -4.72 117.12 120.14 2kc1 n MET 1 Ca -0.13 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.48 2kc1 n MET 1 Cb 0.42 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.89 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 5.34 0.27 2.03 -7.23 -1.26 -5.10 120.40 114.45 2kc1 s VAL 2 Ca 0.00 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.47 2kc1 s VAL 2 Cb 0.00 -3.69 0.04 0.00 0.56 0.00 0.00 36.38 33.30 2kc1 s VAL 2 CO 0.00 0.02 0.81 0.00 -0.31 0.00 0.00 175.10 175.62 2kc1 s ALA 3 N -1.64 -1.23 -0.30 1.32 0.00 -1.26 -4.71 121.76 113.94 2kc1 s ALA 3 Ca 0.35 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2kc1 s ALA 3 Cb -0.12 0.76 0.09 0.00 0.00 0.00 0.00 23.12 23.85 2kc1 s ALA 3 CO 0.28 -1.03 0.02 -0.51 0.00 0.00 0.00 175.76 174.52 2kc1 s LEU 4 N -2.99 3.72 -0.58 0.00 1.43 0.22 -4.77 118.68 115.71 2kc1 s LEU 4 Ca 0.13 -1.78 -0.19 0.00 -1.03 0.00 0.00 54.13 51.26 2kc1 s LEU 4 Cb -0.05 -1.39 0.09 0.00 0.03 0.00 0.00 46.19 44.87 2kc1 s LEU 4 CO 0.07 -0.33 0.71 -0.44 0.23 0.00 0.00 176.35 176.58 2kc1 s SER 5 N 1.15 6.19 0.29 2.29 0.01 -1.26 0.13 113.70 122.51 2kc1 s SER 5 Ca 0.05 -1.25 0.09 0.00 1.31 0.00 0.00 55.95 56.15 2kc1 s SER 5 Cb -0.19 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.67 2kc1 s SER 5 CO -0.10 -1.09 -0.11 -0.76 0.41 0.00 0.00 173.24 171.59 2kc1 s LEU 6 N 2.81 2.60 -0.27 2.44 1.02 -0.28 -1.13 118.68 125.87 2kc1 s LEU 6 Ca 0.14 -1.14 -0.14 0.00 0.02 0.00 0.00 54.13 53.01 2kc1 s LEU 6 Cb -0.22 -0.85 -0.04 0.00 0.02 0.00 0.00 46.19 45.10 2kc1 s LEU 6 CO 0.08 -0.20 0.35 -0.54 0.02 0.00 0.00 176.35 176.06 2kc1 s LYS 7 N -3.63 4.01 -0.25 1.70 -0.14 -0.14 -1.00 119.74 120.29 2kc1 s LYS 7 Ca 0.30 -0.01 -0.05 0.00 -1.36 0.00 0.00 55.97 54.84 2kc1 s LYS 7 Cb 0.01 -3.65 -0.00 0.00 -1.68 0.00 0.00 37.83 32.51 2kc1 s LYS 7 CO 0.13 -0.26 0.01 0.42 -0.76 0.00 0.00 175.35 174.90 2kc1 s ILE 8 N 2.00 3.65 -0.36 2.17 -1.09 0.15 0.22 121.20 127.93 2kc1 s ILE 8 Ca 0.14 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.82 2kc1 s ILE 8 Cb -0.16 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.94 2kc1 s ILE 8 CO 0.10 0.26 0.31 -0.55 -1.23 0.00 0.00 174.94 173.82 2kc1 s SER 9 N 1.48 6.12 -0.58 3.58 0.15 0.29 0.08 113.70 124.82 2kc1 s SER 9 Ca 0.04 -0.51 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 2kc1 s SER 9 Cb -0.16 -2.17 0.15 0.00 -1.71 0.00 0.00 66.02 62.14 2kc1 s SER 9 CO -0.00 -0.35 0.43 -0.63 1.20 0.00 0.00 173.24 173.89 2kc1 s ILE 10 N 1.83 4.11 0.00 6.45 1.09 0.22 -0.58 121.20 134.32 2kc1 s ILE 10 Ca 0.08 -2.41 0.00 0.00 -1.10 0.00 0.00 60.65 57.22 2kc1 s ILE 10 Cb -0.17 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 2kc1 s ILE 10 CO 0.11 -0.85 0.00 0.61 -0.10 0.00 0.00 174.94 174.71 2kc1 n GLY 11 N 4.14 1.69 0.00 6.18 0.00 -1.25 -2.95 105.19 113.00 2kc1 n GLY 11 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 3.61 0.00 -4.69 1.61 5.15 -1.26 -5.08 115.26 114.60 2kc1 n ASN 12 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 2kc1 n ASN 12 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2kc1 s VAL 13 N -1.00 4.29 -0.29 3.44 1.01 -1.15 -5.01 120.40 121.68 2kc1 s VAL 13 Ca 0.00 1.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 2kc1 s VAL 13 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2kc1 s VAL 13 CO 0.00 0.01 0.09 -0.69 0.00 0.00 0.00 175.10 174.51 2kc1 s VAL 14 N 2.12 4.12 -0.02 2.92 1.01 -1.26 -0.61 120.40 128.69 2kc1 s VAL 14 Ca 0.55 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2kc1 s VAL 14 Cb -0.24 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2kc1 s VAL 14 CO 0.22 0.10 -0.02 -0.54 0.00 0.00 0.00 175.10 174.86 2kc1 s LYS 15 N 1.53 2.78 -0.59 2.72 -0.14 0.11 -4.88 119.74 121.27 2kc1 s LYS 15 Ca 0.03 -0.59 -0.21 0.00 -1.36 0.00 0.00 55.97 53.85 2kc1 s LYS 15 Cb -0.17 -2.65 0.07 0.00 -1.68 0.00 0.00 37.83 33.40 2kc1 s LYS 15 CO 0.03 0.64 0.81 0.99 -0.76 0.00 0.00 175.35 177.06 2kc1 s THR 16 N -1.00 4.60 -0.08 2.17 2.01 -1.26 0.32 115.64 122.40 2kc1 s THR 16 Ca 0.17 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2kc1 s THR 16 Cb -0.11 -4.52 -0.03 0.00 0.01 0.00 0.00 72.50 67.85 2kc1 s THR 16 CO 0.07 -1.15 -0.06 -0.04 -0.69 0.00 0.00 174.62 172.75 2kc1 s MET 17 N 3.33 2.89 -0.40 4.92 -1.94 -0.17 -4.94 119.30 122.99 2kc1 s MET 17 Ca 0.19 -0.54 -0.12 0.00 -1.71 0.00 0.00 55.69 53.51 2kc1 s MET 17 Cb -0.19 -2.64 0.04 0.00 2.01 0.00 0.00 34.83 34.05 2kc1 s MET 17 CO 0.11 0.60 0.25 -0.65 -0.01 0.00 0.00 175.02 175.32 2kc1 s GLN 18 N -0.64 2.81 0.52 2.03 -0.21 -1.26 -1.12 119.66 121.80 2kc1 s GLN 18 Ca 0.10 -1.17 0.06 0.00 0.02 0.00 0.00 55.36 54.37 2kc1 s GLN 18 Cb -0.12 -3.81 0.09 0.00 1.00 0.00 0.00 33.01 30.17 2kc1 s GLN 18 CO 0.02 -0.79 0.72 1.19 -2.12 0.00 0.00 175.29 174.31 2kc1 n PHE 19 N 5.03 -2.58 -4.36 0.91 3.72 0.12 -4.83 117.46 115.47 2kc1 n PHE 19 Ca -0.11 -1.69 -0.29 0.00 -0.05 0.00 0.00 57.45 55.30 2kc1 n PHE 19 Cb 0.45 -0.50 -0.12 0.00 -0.94 0.00 0.00 39.48 38.37 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 -4.34 1.67 0.00 -1.08 2.02 -1.26 0.70 118.70 116.41 2kc1 s GLU 20 Ca 0.52 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2kc1 s GLU 20 Cb -0.04 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2kc1 s GLU 20 CO 0.34 0.47 0.40 -2.30 0.02 0.00 0.00 175.26 174.19 2kc1 n PRO 21 N 0.88 0.62 0.00 0.39 -0.02 -1.26 -1.24 135.00 134.37 2kc1 n PRO 21 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2kc1 n PRO 21 Cb 0.53 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 2kc1 n PRO 21 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kc1 n SER 22 N 0.34 0.03 -4.72 2.55 7.64 -1.26 -4.49 113.62 113.71 2kc1 n SER 22 Ca 0.00 -1.01 -0.42 0.00 1.01 0.00 0.00 58.87 58.45 2kc1 n SER 22 Cb 0.20 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.01 4.06 0.46 0.44 2.01 -0.37 -4.89 115.64 117.33 2kc1 s THR 23 Ca 0.00 1.53 -0.22 0.00 0.31 0.00 0.00 61.69 63.31 2kc1 s THR 23 Cb 0.00 -3.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 2kc1 s THR 23 CO 0.00 0.15 1.11 -0.04 -0.69 0.00 0.00 174.62 175.15 2kc1 s MET 24 N 0.77 3.79 0.20 4.92 -1.94 -1.26 -1.84 119.30 123.94 2kc1 s MET 24 Ca 0.56 1.61 -0.11 0.00 -1.71 0.00 0.00 55.69 56.05 2kc1 s MET 24 Cb -0.29 -2.31 0.14 0.00 2.01 0.00 0.00 34.83 34.38 2kc1 s MET 24 CO 0.30 -0.49 1.87 0.28 -0.01 0.00 0.00 175.02 176.97 2kc1 h VAL 25 N 1.77 1.19 0.00 -6.03 2.07 -0.41 0.27 116.25 115.11 2kc1 h VAL 25 Ca -0.49 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 2kc1 h VAL 25 Cb 1.24 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2kc1 h VAL 25 CO 0.60 0.18 -0.18 0.10 0.02 0.00 0.00 177.57 178.29 2kc1 h TYR 26 N 0.96 0.00 0.16 1.57 -0.00 -1.10 0.35 116.97 118.91 2kc1 h TYR 26 Ca 0.26 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.75 2kc1 h TYR 26 Cb -0.10 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 36.65 2kc1 h TYR 26 CO -0.02 0.18 -1.12 0.22 -0.00 0.00 0.00 178.16 177.42 2kc1 h ASP 27 N 0.00 0.53 -0.97 0.10 3.58 -1.55 -3.11 116.42 115.00 2kc1 h ASP 27 Ca -0.00 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.52 2kc1 h ASP 27 Cb 0.44 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.27 2kc1 h ASP 27 CO 0.02 1.52 0.61 0.00 -2.88 0.00 0.00 179.24 178.51 2kc1 h ALA 28 N 0.07 1.24 -0.05 -0.78 0.00 -0.07 0.15 119.26 119.81 2kc1 h ALA 28 Ca -0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2kc1 h ALA 28 Cb 1.79 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2kc1 h ALA 28 CO 0.16 0.67 -0.29 0.00 0.00 0.00 0.00 179.25 179.79 2kc1 h ARG 30 N 0.09 0.31 -0.96 0.00 2.43 -1.18 -3.08 114.38 111.98 2kc1 h ARG 30 Ca 0.01 -0.40 0.18 0.00 -0.81 0.00 0.00 59.98 58.96 2kc1 h ARG 30 Cb 0.56 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.15 2kc1 h ARG 30 CO 0.04 1.12 0.61 0.52 -1.51 0.00 0.00 179.97 180.75 2kc1 h MET 31 N 0.14 0.67 0.46 0.20 2.86 -0.26 0.37 114.93 119.36 2kc1 h MET 31 Ca -0.09 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2kc1 h MET 31 Cb 1.73 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.24 2kc1 h MET 31 CO 0.17 0.44 -0.22 0.82 1.06 0.00 0.00 176.91 179.19 2kc1 h ILE 32 N 0.69 0.53 0.00 -1.22 1.08 -1.42 -3.01 117.51 114.17 2kc1 h ILE 32 Ca 0.52 -0.22 -0.09 0.00 -0.39 0.00 0.00 64.86 64.68 2kc1 h ILE 32 Cb 0.90 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2kc1 h ILE 32 CO -0.28 0.04 -0.42 0.08 -0.69 0.00 0.00 178.15 176.87 2kc1 h ARG 33 N -0.75 0.00 -0.17 2.37 0.11 -1.30 0.56 114.38 115.21 2kc1 h ARG 33 Ca -0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 2kc1 h ARG 33 Cb 0.54 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.61 2kc1 h ARG 33 CO 0.10 0.42 0.06 0.93 0.10 0.00 0.00 179.97 181.58 2kc1 h GLU 34 N 0.00 0.26 0.02 0.08 4.39 -0.99 -3.34 114.58 115.00 2kc1 h GLU 34 Ca -0.00 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.45 2kc1 h GLU 34 Cb 0.77 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2kc1 h GLU 34 CO 0.05 0.36 -1.03 0.00 -1.16 0.00 0.00 179.01 177.24 2kc1 h ARG 35 N 0.10 0.05 -5.44 2.33 -0.00 -1.37 -3.46 114.38 106.59 2kc1 h ARG 35 Ca 0.05 -0.08 -0.59 0.00 -0.50 0.00 0.00 59.98 58.86 2kc1 h ARG 35 Cb 0.21 0.03 -0.11 0.00 0.00 0.00 0.00 29.97 30.11 2kc1 h ARG 35 CO -0.00 1.04 -0.33 0.42 0.00 0.00 0.00 179.97 181.09 2kc1 s ILE 36 N -2.36 5.31 -0.55 2.04 1.01 0.20 -4.97 121.20 121.88 2kc1 s ILE 36 Ca -0.25 0.52 0.25 0.00 0.00 0.00 0.00 60.65 61.17 2kc1 s ILE 36 Cb 0.04 -3.62 0.28 0.00 0.01 0.00 0.00 42.46 39.16 2kc1 s ILE 36 CO 0.65 0.37 1.75 1.55 0.00 0.00 0.00 174.94 179.27 2kc1 h PRO 37 N 6.81 0.00 -0.92 2.79 0.13 -1.81 -3.29 132.00 135.71 2kc1 h PRO 37 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2kc1 h PRO 37 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2kc1 h PRO 37 CO 0.75 0.00 0.58 0.93 -0.23 0.00 0.00 178.00 180.03 2kc1 h GLU 38 N 0.00 1.23 -0.00 0.86 4.39 -1.90 -1.76 114.58 117.40 2kc1 h GLU 38 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2kc1 h GLU 38 Cb 0.57 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2kc1 h GLU 38 CO 0.00 0.84 -0.00 0.00 -1.16 0.00 0.00 179.01 178.69 2kc1 n ALA 39 N -2.37 2.54 -2.80 3.43 0.00 -1.24 -4.64 120.51 115.43 2kc1 n ALA 39 Ca 0.10 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 2kc1 n ALA 39 Cb 0.04 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.43 4.26 0.41 0.00 1.43 -0.66 -4.40 118.68 117.28 2kc1 s LEU 40 Ca 0.33 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2kc1 s LEU 40 Cb 0.21 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2kc1 s LEU 40 CO 0.44 -1.44 0.00 0.00 0.23 0.00 0.00 176.35 175.58 2kc1 n ALA 41 N 7.84 0.65 -2.44 4.21 0.00 -1.26 -5.06 120.51 124.45 2kc1 n ALA 41 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 2kc1 n ALA 41 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 2kc1 n ALA 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kc1 s GLY 42 N -2.65 1.78 0.82 0.00 0.00 -1.26 -5.13 107.32 100.87 2kc1 s GLY 42 Ca 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 44.72 42.85 2kc1 s GLY 42 CO 0.00 -1.80 1.20 -4.14 0.00 0.00 0.00 173.10 168.36 2kc1 s PRO 43 N -3.05 1.58 0.00 2.90 0.02 -1.26 -4.81 135.00 130.38 2kc1 s PRO 43 Ca 0.25 1.74 0.10 0.00 0.02 0.00 0.00 61.00 63.10 2kc1 s PRO 43 Cb -0.07 -1.77 0.55 0.00 0.02 0.00 0.00 34.50 33.23 2kc1 s PRO 43 CO 0.12 -2.25 1.14 -2.30 -0.33 0.00 0.00 177.00 173.37 2kc1 n PRO 44 N -3.38 0.22 0.02 5.54 -0.02 -1.26 -2.75 135.00 133.37 2kc1 n PRO 44 Ca 0.13 0.11 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 2kc1 n PRO 44 Cb 0.51 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 2kc1 n PRO 44 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2kc1 h ASN 45 N 0.00 0.37 0.07 2.55 2.35 -2.01 -3.33 115.58 115.59 2kc1 h ASN 45 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 2kc1 h ASN 45 Cb 0.05 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2kc1 h ASN 45 CO 0.00 1.27 -0.24 -0.90 -1.65 0.00 0.00 177.43 175.91 2kc1 n ASP 46 N -4.25 1.73 -4.87 5.81 5.75 -1.11 -4.80 116.55 114.80 2kc1 n ASP 46 Ca -0.12 -1.37 -0.35 0.00 -0.01 0.00 0.00 54.79 52.94 2kc1 n ASP 46 Cb 0.72 0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.95 2kc1 n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2kc1 s PHE 47 N -2.32 3.53 0.13 2.11 0.40 -1.16 0.60 117.98 121.27 2kc1 s PHE 47 Ca 0.26 0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 56.91 2kc1 s PHE 47 Cb 0.19 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.85 2kc1 s PHE 47 CO 0.47 0.67 0.26 0.20 0.70 0.00 0.00 175.22 177.52 2kc1 s GLY 48 N -1.45 0.20 -0.50 4.36 0.00 0.52 -4.79 107.32 105.65 2kc1 s GLY 48 Ca 0.21 -0.65 -0.24 0.00 0.00 0.00 0.00 44.72 44.04 2kc1 s GLY 48 CO 0.11 -0.74 0.89 1.08 0.00 0.00 0.00 173.10 174.43 2kc1 s LEU 49 N -2.90 4.14 -0.32 0.66 1.43 -1.26 -1.66 118.68 118.77 2kc1 s LEU 49 Ca 0.10 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 2kc1 s LEU 49 Cb 0.04 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 2kc1 s LEU 49 CO -0.07 -1.09 0.37 0.12 0.23 0.00 0.00 176.35 175.92 2kc1 s PHE 50 N 3.68 3.22 -0.66 0.29 5.36 0.37 -0.78 117.98 129.46 2kc1 s PHE 50 Ca 0.32 0.12 -0.27 0.00 -0.96 0.00 0.00 56.93 56.14 2kc1 s PHE 50 Cb -0.12 -2.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.91 2kc1 s PHE 50 CO 0.22 -0.37 1.58 -1.17 -1.46 0.00 0.00 175.22 174.01 2kc1 s LEU 51 N 2.05 3.25 0.08 6.12 0.20 0.64 0.75 118.68 131.77 2kc1 s LEU 51 Ca 0.13 0.01 -0.23 0.00 0.69 0.00 0.00 54.13 54.73 2kc1 s LEU 51 Cb -0.16 -2.60 -0.06 0.00 -0.43 0.00 0.00 46.19 42.94 2kc1 s LEU 51 CO 0.11 -2.09 0.71 -0.94 -0.29 0.00 0.00 176.35 173.85 2kc1 s SER 52 N 5.92 7.20 0.21 3.68 1.04 -1.19 -2.73 113.70 127.84 2kc1 s SER 52 Ca 0.52 1.43 0.03 0.00 0.48 0.00 0.00 55.95 58.41 2kc1 s SER 52 Cb -0.11 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 2kc1 s SER 52 CO 0.19 0.13 -0.00 -0.62 0.98 0.00 0.00 173.24 173.91 2kc1 s ASP 53 N -0.56 1.58 0.32 7.02 -1.08 -1.26 -4.68 116.67 118.00 2kc1 s ASP 53 Ca 0.35 -1.20 0.26 0.00 -0.52 0.00 0.00 52.55 51.44 2kc1 s ASP 53 Cb -0.21 0.05 1.00 0.00 -1.46 0.00 0.00 42.92 42.31 2kc1 s ASP 53 CO 0.22 -0.53 1.77 0.44 0.52 0.00 0.00 175.17 177.59 2kc1 h ASP 54 N 2.56 0.00 -3.76 -0.34 3.32 -1.99 -3.39 116.42 112.82 2kc1 h ASP 54 Ca -0.38 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.03 2kc1 h ASP 54 Cb 1.22 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.58 2kc1 h ASP 54 CO 0.64 0.00 -0.56 -0.62 -1.72 0.00 0.00 179.24 176.98 2kc1 s ASP 55 N -4.66 5.71 0.59 6.45 2.15 -1.26 -4.98 116.67 120.66 2kc1 s ASP 55 Ca 0.05 -0.06 0.32 0.00 0.43 0.00 0.00 52.55 53.28 2kc1 s ASP 55 Cb 0.10 -2.05 1.84 0.00 -0.30 0.00 0.00 42.92 42.51 2kc1 s ASP 55 CO 0.47 -0.02 2.23 1.55 -0.17 0.00 0.00 175.17 179.23 2kc1 h PRO 56 N 8.18 0.00 0.00 4.34 0.13 -1.99 -1.71 132.00 140.95 2kc1 h PRO 56 Ca -0.36 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2kc1 h PRO 56 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kc1 h PRO 56 CO 0.57 0.03 -0.21 -0.22 -0.23 0.00 0.00 178.00 177.94 2kc1 h LYS 57 N 0.00 0.00 0.00 0.86 1.63 -1.93 -2.94 116.57 114.19 2kc1 h LYS 57 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kc1 h LYS 57 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2kc1 h LYS 57 CO 0.00 0.21 -0.37 1.63 -3.45 0.00 0.00 179.45 177.48 2kc1 n LYS 58 N -3.25 0.17 -2.17 1.90 4.76 -0.65 -4.85 118.16 114.08 2kc1 n LYS 58 Ca 0.01 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 2kc1 n LYS 58 Cb 0.50 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 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 -3.39 1.59 0.06 0.72 0.00 -1.11 -4.82 107.32 100.38 2kc1 s GLY 59 Ca 0.09 0.76 0.06 0.00 0.00 0.00 0.00 44.72 45.64 2kc1 s GLY 59 CO 0.66 2.81 -0.16 -0.26 0.00 0.00 0.00 173.10 176.15 2kc1 s ILE 60 N 3.74 1.29 -0.25 0.90 -4.36 -1.10 -4.95 121.20 116.47 2kc1 s ILE 60 Ca 0.66 -1.21 -0.22 0.00 -0.26 0.00 0.00 60.65 59.62 2kc1 s ILE 60 Cb -0.29 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.23 2kc1 s ILE 60 CO 0.24 -0.05 0.69 0.26 0.24 0.00 0.00 174.94 176.32 2kc1 s TRP 61 N -1.02 3.30 0.19 1.37 0.52 -1.26 -0.26 118.94 121.76 2kc1 s TRP 61 Ca 0.02 0.93 -0.30 0.00 0.02 0.00 0.00 56.10 56.77 2kc1 s TRP 61 Cb -0.09 -2.90 -0.08 0.00 -1.15 0.00 0.00 33.47 29.24 2kc1 s TRP 61 CO 0.02 -0.34 1.28 -0.51 0.02 0.00 0.00 176.95 177.42 2kc1 s LEU 62 N 2.57 4.42 0.01 2.99 1.43 0.04 -4.96 118.68 125.19 2kc1 s LEU 62 Ca 0.29 2.33 -0.30 0.00 -1.03 0.00 0.00 54.13 55.42 2kc1 s LEU 62 Cb -0.15 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2kc1 s LEU 62 CO 0.08 -0.48 1.29 -1.61 0.23 0.00 0.00 176.35 175.86 2kc1 s GLU 63 N -0.05 4.35 0.32 1.70 2.02 -1.26 -4.58 118.70 121.20 2kc1 s GLU 63 Ca 0.56 1.84 0.09 0.00 0.02 0.00 0.00 54.97 57.48 2kc1 s GLU 63 Cb -0.35 -3.48 0.85 0.00 0.10 0.00 0.00 34.13 31.25 2kc1 s GLU 63 CO 0.37 -0.44 1.76 0.00 0.02 0.00 0.00 175.26 176.97 2kc1 h ALA 64 N 7.35 1.80 -0.01 5.21 0.00 -1.93 0.28 119.26 131.97 2kc1 h ALA 64 Ca -0.38 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kc1 h ALA 64 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kc1 h ALA 64 CO 0.87 -0.22 -0.07 0.41 0.00 0.00 0.00 179.25 180.24 2kc1 n GLY 65 N -1.34 -0.73 3.99 0.00 0.00 -1.26 -0.60 105.19 105.24 2kc1 n GLY 65 Ca 0.25 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.27 2.43 0.24 1.61 -0.14 0.09 -4.85 119.74 116.84 2kc1 s LYS 66 Ca 0.35 -1.04 0.05 0.00 -1.36 0.00 0.00 55.97 53.96 2kc1 s LYS 66 Cb 0.21 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 2kc1 s LYS 66 CO 0.42 -0.76 0.35 0.00 -0.76 0.00 0.00 175.35 174.61 2kc1 s ALA 67 N -2.72 3.92 0.08 5.17 0.00 -1.26 -0.15 121.76 126.80 2kc1 s ALA 67 Ca 0.59 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.17 2kc1 s ALA 67 Cb -0.09 -1.72 -0.14 0.00 0.00 0.00 0.00 23.12 21.18 2kc1 s ALA 67 CO 0.38 0.25 1.32 -0.07 0.00 0.00 0.00 175.76 177.65 2kc1 h LEU 68 N 1.22 0.79 -1.75 0.00 3.38 -1.67 -2.99 115.31 114.29 2kc1 h LEU 68 Ca -0.52 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 56.85 2kc1 h LEU 68 Cb 1.23 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kc1 h LEU 68 CO 0.61 1.23 -0.14 -2.24 0.09 0.00 0.00 178.44 177.99 2kc1 h ASP 69 N 0.40 0.00 0.08 -0.43 2.03 -1.84 -1.80 116.42 114.85 2kc1 h ASP 69 Ca -0.01 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.26 2kc1 h ASP 69 Cb 1.14 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2kc1 h ASP 69 CO 0.11 0.14 -0.10 0.22 -1.03 0.00 0.00 179.24 178.58 2kc1 h TYR 70 N 0.00 0.07 -0.22 4.15 3.20 -1.87 -0.96 116.97 121.34 2kc1 h TYR 70 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kc1 h TYR 70 Cb 0.42 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2kc1 h TYR 70 CO 0.00 0.17 0.00 0.66 -1.64 0.00 0.00 178.16 177.35 2kc1 n TYR 71 N -4.38 0.29 -1.99 -3.82 4.01 -0.68 -4.91 117.16 105.66 2kc1 n TYR 71 Ca -0.02 -0.14 -0.21 0.00 -0.16 0.00 0.00 57.90 57.37 2kc1 n TYR 71 Cb 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.45 -1.58 -2.40 -0.72 2.81 -0.37 -4.96 117.12 110.36 2kc1 n MET 72 Ca 0.16 1.11 -0.34 0.00 -1.81 0.00 0.00 57.70 56.82 2kc1 n MET 72 Cb 0.34 -5.64 -0.02 0.00 -0.71 0.00 0.00 33.22 27.20 2kc1 n MET 72 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kc1 s LEU 73 N -5.37 3.74 0.29 4.03 0.05 -1.25 -5.06 118.68 115.11 2kc1 s LEU 73 Ca 0.00 1.88 0.04 0.00 0.05 0.00 0.00 54.13 56.10 2kc1 s LEU 73 Cb 0.00 -4.55 -0.04 0.00 -2.05 0.00 0.00 46.19 39.55 2kc1 s LEU 73 CO 0.00 -0.88 0.20 -0.13 -0.55 0.00 0.00 176.35 174.99 2kc1 s ARG 74 N -3.51 1.56 0.06 1.48 0.52 -1.26 -4.83 118.95 112.97 2kc1 s ARG 74 Ca 0.66 -1.88 -0.30 0.00 -0.52 0.00 0.00 55.73 53.68 2kc1 s ARG 74 Cb -0.16 0.16 -0.10 0.00 0.52 0.00 0.00 34.95 35.37 2kc1 s ARG 74 CO 0.25 -0.51 1.94 0.27 0.02 0.00 0.00 175.30 177.27 2kc1 n ASN 75 N -1.00 4.13 0.00 0.23 0.23 -1.25 -1.45 115.26 116.15 2kc1 n ASN 75 Ca 0.04 0.93 0.00 0.00 -0.53 0.00 0.00 54.58 55.01 2kc1 n ASN 75 Cb 0.64 -1.53 0.00 0.00 -2.08 0.00 0.00 39.78 36.81 2kc1 n ASN 75 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kc1 n GLY 76 N 4.46 2.13 3.76 4.83 0.00 -0.29 -4.98 105.19 115.12 2kc1 n GLY 76 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.20 5.11 -0.11 1.61 1.01 -0.53 -4.74 116.67 117.82 2kc1 s ASP 77 Ca 0.00 2.10 0.02 0.00 0.71 0.00 0.00 52.55 55.38 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 -1.63 -0.18 -0.89 0.21 0.00 0.00 175.17 172.68 2kc1 s THR 78 N -2.14 2.59 -0.03 -1.27 2.01 -1.26 -0.96 115.64 114.58 2kc1 s THR 78 Ca 0.70 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.93 2kc1 s THR 78 Cb -0.23 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 2kc1 s THR 78 CO 0.39 0.54 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.59 2kc1 s MET 79 N 0.33 2.02 -0.41 4.92 -1.94 0.13 -3.14 119.30 121.21 2kc1 s MET 79 Ca -0.14 -0.80 -0.08 0.00 -1.71 0.00 0.00 55.69 52.96 2kc1 s MET 79 Cb -0.17 -1.84 0.08 0.00 2.01 0.00 0.00 34.83 34.91 2kc1 s MET 79 CO 0.07 0.42 0.24 -2.00 -0.01 0.00 0.00 175.02 173.74 2kc1 s GLU 80 N -0.34 2.50 -0.59 2.03 2.12 0.23 -0.54 118.70 124.10 2kc1 s GLU 80 Ca 0.03 -1.51 -0.25 0.00 0.36 0.00 0.00 54.97 53.60 2kc1 s GLU 80 Cb -0.11 -3.71 0.04 0.00 0.26 0.00 0.00 34.13 30.61 2kc1 s GLU 80 CO 0.01 -0.96 1.04 -0.47 -0.54 0.00 0.00 175.26 174.34 2kc1 s TYR 81 N 1.37 2.68 0.24 5.30 5.04 0.25 -0.48 117.35 131.75 2kc1 s TYR 81 Ca 0.03 0.05 -0.03 0.00 -2.44 0.00 0.00 57.07 54.68 2kc1 s TYR 81 Cb -0.23 -4.27 -0.03 0.00 0.35 0.00 0.00 41.96 37.79 2kc1 s TYR 81 CO 0.01 -1.51 0.26 -0.98 -1.34 0.00 0.00 175.55 171.98 2kc1 s ARG 82 N 4.40 1.40 0.05 4.97 1.70 -0.67 -3.94 118.95 126.86 2kc1 s ARG 82 Ca 0.33 -1.60 -0.31 0.00 -0.47 0.00 0.00 55.73 53.69 2kc1 s ARG 82 Cb -0.11 0.34 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 2kc1 s ARG 82 CO 0.20 -0.51 1.50 0.21 -1.08 0.00 0.00 175.30 175.62 2kc1 s LYS 83 N -3.95 4.25 0.37 3.89 2.20 -1.26 -0.36 119.74 124.87 2kc1 s LYS 83 Ca 0.35 2.14 -0.26 0.00 -0.36 0.00 0.00 55.97 57.83 2kc1 s LYS 83 Cb 0.04 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.75 2kc1 s LYS 83 CO 0.14 -0.62 1.13 0.15 -0.36 0.00 0.00 175.35 175.79 2kc1 s LYS 84 N 2.27 4.23 0.00 4.03 1.02 0.20 -4.86 119.74 126.64 2kc1 s LYS 84 Ca 0.68 1.78 0.25 0.00 0.02 0.00 0.00 55.97 58.70 2kc1 s LYS 84 Cb -0.36 -2.79 1.50 0.00 -0.52 0.00 0.00 37.83 35.66 2kc1 s LYS 84 CO 0.29 -0.15 1.86 1.04 -0.92 0.00 0.00 175.35 177.47