#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 2.05 -0.25 -0.61 1.10 -1.26 -5.10 121.20 117.13 2kc1 s ILE -4 Ca 0.00 -1.53 -0.29 0.00 -0.51 0.00 0.00 60.65 58.32 2kc1 s ILE -4 Cb 0.00 -1.80 0.00 0.00 0.15 0.00 0.00 42.46 40.82 2kc1 s ILE -4 CO 0.00 0.17 1.16 -1.81 -2.11 0.00 0.00 174.94 172.36 2kc1 s ASP -3 N -1.64 6.93 -0.23 4.50 1.01 -1.26 -4.99 116.67 120.99 2kc1 s ASP -3 Ca 0.11 1.36 -0.29 0.00 0.71 0.00 0.00 52.55 54.44 2kc1 s ASP -3 Cb -0.10 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 2kc1 s ASP -3 CO 0.04 -0.83 1.37 -2.84 0.21 0.00 0.00 175.17 173.12 2kc1 s PRO -2 N 3.59 4.01 0.04 8.23 0.02 -1.26 -4.98 135.00 144.66 2kc1 s PRO -2 Ca 0.50 1.52 -0.31 0.00 0.02 0.00 0.00 61.00 62.73 2kc1 s PRO -2 Cb -0.17 -3.88 -0.06 0.00 0.02 0.00 0.00 34.50 30.42 2kc1 s PRO -2 CO 0.14 -1.00 1.33 0.12 -0.33 0.00 0.00 177.00 177.26 2kc1 s PHE -1 N 4.22 3.14 0.03 6.54 2.19 -1.26 -4.93 117.98 127.91 2kc1 s PHE -1 Ca 0.60 1.01 -0.27 0.00 0.33 0.00 0.00 56.93 58.59 2kc1 s PHE -1 Cb -0.21 -3.59 -0.17 0.00 -1.31 0.00 0.00 43.02 37.74 2kc1 s PHE -1 CO 0.22 -2.06 1.38 1.15 1.83 0.00 0.00 175.22 177.74 2kc1 h THR 0 N 4.63 0.60 -4.21 0.12 2.02 -2.03 -3.44 112.91 110.61 2kc1 h THR 0 Ca -0.40 -0.37 -0.50 0.00 0.77 0.00 0.00 66.41 65.91 2kc1 h THR 0 Cb 1.19 0.78 0.09 0.00 -1.74 0.00 0.00 68.15 68.48 2kc1 h THR 0 CO 0.87 0.07 0.37 -0.32 0.37 0.00 0.00 175.52 176.88 2kc1 s MET 1 N -5.18 2.92 -0.29 6.66 -2.45 -1.26 -4.92 119.30 114.78 2kc1 s MET 1 Ca -0.15 1.32 -0.28 0.00 -1.25 0.00 0.00 55.69 55.33 2kc1 s MET 1 Cb 0.03 -1.97 -0.06 0.00 1.25 0.00 0.00 34.83 34.08 2kc1 s MET 1 CO 0.57 -1.15 2.27 1.55 1.05 0.00 0.00 175.02 179.31 2kc1 n VAL 2 N -2.39 0.23 -4.33 10.11 3.14 -1.26 -4.95 118.33 118.89 2kc1 n VAL 2 Ca 0.10 -0.52 -0.34 0.00 -2.96 0.00 0.00 64.34 60.61 2kc1 n VAL 2 Cb 0.52 -2.54 -0.11 0.00 -1.06 0.00 0.00 33.84 30.66 2kc1 n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kc1 s ALA 3 N 9.14 3.17 -0.63 1.55 0.00 -1.26 -4.68 121.76 129.05 2kc1 s ALA 3 Ca 1.01 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 51.90 2kc1 s ALA 3 Cb -0.35 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.20 2kc1 s ALA 3 CO 0.34 0.35 1.44 -0.51 0.00 0.00 0.00 175.76 177.38 2kc1 s LEU 4 N -0.10 3.30 -0.51 0.00 1.02 0.97 -4.79 118.68 118.57 2kc1 s LEU 4 Ca 0.04 0.04 -0.17 0.00 0.02 0.00 0.00 54.13 54.06 2kc1 s LEU 4 Cb -0.13 -2.80 0.08 0.00 0.02 0.00 0.00 46.19 43.36 2kc1 s LEU 4 CO 0.02 -1.86 0.52 -0.44 0.02 0.00 0.00 176.35 174.61 2kc1 s SER 5 N 4.75 6.18 0.27 2.29 0.01 -1.26 -0.54 113.70 125.40 2kc1 s SER 5 Ca 0.49 -1.33 0.10 0.00 1.31 0.00 0.00 55.95 56.51 2kc1 s SER 5 Cb -0.10 -2.23 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2kc1 s SER 5 CO 0.21 -0.82 -0.00 -0.76 0.41 0.00 0.00 173.24 172.27 2kc1 s LEU 6 N 2.04 3.20 -0.28 2.44 1.02 -0.43 0.43 118.68 127.10 2kc1 s LEU 6 Ca 0.08 -0.64 -0.19 0.00 0.02 0.00 0.00 54.13 53.40 2kc1 s LEU 6 Cb -0.24 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 2kc1 s LEU 6 CO 0.07 0.00 0.55 -0.54 0.02 0.00 0.00 176.35 176.45 2kc1 s LYS 7 N -3.67 3.99 -0.35 1.70 -0.14 0.12 -0.98 119.74 120.42 2kc1 s LYS 7 Ca 0.31 0.28 -0.21 0.00 -1.36 0.00 0.00 55.97 54.99 2kc1 s LYS 7 Cb -0.06 -3.68 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 2kc1 s LYS 7 CO 0.20 -0.43 0.66 0.42 -0.76 0.00 0.00 175.35 175.43 2kc1 s ILE 8 N 2.39 4.87 -0.53 2.17 -1.09 0.22 -0.41 121.20 128.84 2kc1 s ILE 8 Ca 0.22 0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 59.17 2kc1 s ILE 8 Cb -0.15 -4.08 0.11 0.00 -1.58 0.00 0.00 42.46 36.76 2kc1 s ILE 8 CO 0.10 -0.30 0.49 -0.55 -1.23 0.00 0.00 174.94 173.46 2kc1 s SER 9 N 1.76 6.18 -0.72 3.58 0.15 0.13 -0.12 113.70 124.66 2kc1 s SER 9 Ca 0.26 -1.64 -0.18 0.00 0.70 0.00 0.00 55.95 55.09 2kc1 s SER 9 Cb -0.14 -2.21 0.13 0.00 -1.71 0.00 0.00 66.02 62.08 2kc1 s SER 9 CO 0.14 -0.83 0.83 -0.63 1.20 0.00 0.00 173.24 173.95 2kc1 s ILE 10 N 1.72 4.92 0.00 6.45 1.01 0.12 -2.00 121.20 133.41 2kc1 s ILE 10 Ca 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.33 2kc1 s ILE 10 Cb -0.28 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.63 2kc1 s ILE 10 CO 0.04 -1.22 0.00 0.61 0.00 0.00 0.00 174.94 174.38 2kc1 n GLY 11 N 5.10 1.68 0.00 6.18 0.00 -1.26 -1.23 105.19 115.65 2kc1 n GLY 11 Ca 0.03 0.19 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 3.49 0.00 -4.48 1.61 4.13 -1.26 -5.05 115.26 113.70 2kc1 n ASN 12 Ca 0.00 -1.00 -0.43 0.00 1.68 0.00 0.00 54.58 54.83 2kc1 n ASN 12 Cb 0.00 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 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 0.00 5.13 -0.40 2.41 1.01 -0.36 -5.04 120.40 123.15 2kc1 s VAL 13 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2kc1 s VAL 13 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.38 2kc1 s VAL 13 CO 0.00 -0.39 0.47 -0.69 0.00 0.00 0.00 175.10 174.48 2kc1 s VAL 14 N 2.02 5.05 0.03 2.92 1.01 -1.25 0.15 120.40 130.33 2kc1 s VAL 14 Ca 0.10 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2kc1 s VAL 14 Cb -0.18 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2kc1 s VAL 14 CO 0.13 -0.35 -0.25 -0.54 0.00 0.00 0.00 175.10 174.09 2kc1 s LYS 15 N 2.26 1.76 0.07 2.72 -0.14 0.82 -4.90 119.74 122.33 2kc1 s LYS 15 Ca 0.15 -1.02 -0.26 0.00 -1.36 0.00 0.00 55.97 53.48 2kc1 s LYS 15 Cb -0.16 -1.86 -0.06 0.00 -1.68 0.00 0.00 37.83 34.07 2kc1 s LYS 15 CO 0.14 0.49 0.82 0.99 -0.76 0.00 0.00 175.35 177.03 2kc1 s THR 16 N -0.74 4.64 0.00 2.17 2.01 -1.26 0.73 115.64 123.18 2kc1 s THR 16 Ca 0.10 1.76 0.02 0.00 0.31 0.00 0.00 61.69 63.88 2kc1 s THR 16 Cb -0.10 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 2kc1 s THR 16 CO 0.01 0.36 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.19 2kc1 s MET 17 N -0.12 0.57 -0.35 4.92 -1.94 -0.15 -4.91 119.30 117.33 2kc1 s MET 17 Ca 0.41 -0.31 -0.13 0.00 -1.71 0.00 0.00 55.69 53.95 2kc1 s MET 17 Cb -0.21 -0.53 -0.01 0.00 2.01 0.00 0.00 34.83 36.08 2kc1 s MET 17 CO 0.25 0.14 0.24 -0.65 -0.01 0.00 0.00 175.02 174.99 2kc1 s GLN 18 N -0.33 3.41 0.14 2.03 -0.21 -1.26 -1.31 119.66 122.13 2kc1 s GLN 18 Ca 0.01 -0.70 0.07 0.00 0.02 0.00 0.00 55.36 54.76 2kc1 s GLN 18 Cb -0.03 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.13 2kc1 s GLN 18 CO -0.00 -0.48 -0.07 -0.06 -2.12 0.00 0.00 175.29 172.56 2kc1 s PHE 19 N 1.70 2.75 0.13 0.91 0.08 0.30 -4.96 117.98 118.89 2kc1 s PHE 19 Ca 0.06 -0.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.78 2kc1 s PHE 19 Cb -0.18 -1.39 -0.07 0.00 -0.57 0.00 0.00 43.02 40.82 2kc1 s PHE 19 CO 0.10 0.47 0.58 -1.21 -0.10 0.00 0.00 175.22 175.07 2kc1 s GLU 20 N -2.55 4.11 0.54 0.44 2.02 -1.26 -0.02 118.70 121.98 2kc1 s GLU 20 Ca 0.24 0.65 0.21 0.00 0.02 0.00 0.00 54.97 56.09 2kc1 s GLU 20 Cb -0.10 -3.05 1.44 0.00 0.10 0.00 0.00 34.13 32.52 2kc1 s GLU 20 CO 0.16 0.54 2.17 -1.00 0.02 0.00 0.00 175.26 177.14 2kc1 h PRO 21 N 3.95 0.00 -0.63 0.39 0.13 -1.93 -1.38 132.00 132.53 2kc1 h PRO 21 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kc1 h PRO 21 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kc1 h PRO 21 CO 0.65 0.02 0.00 0.43 -0.23 0.00 0.00 178.00 178.87 2kc1 n SER 22 N -4.25 3.77 -4.74 1.44 7.64 -1.26 -1.20 113.62 115.02 2kc1 n SER 22 Ca -0.03 -2.38 -0.41 0.00 1.01 0.00 0.00 58.87 57.07 2kc1 n SER 22 Cb 0.11 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 2kc1 n SER 22 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kc1 s THR 23 N -1.84 4.24 0.39 0.44 2.01 -0.52 -4.87 115.64 115.50 2kc1 s THR 23 Ca 0.38 1.96 -0.25 0.00 0.31 0.00 0.00 61.69 64.09 2kc1 s THR 23 Cb 0.25 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 2kc1 s THR 23 CO 0.17 0.35 1.15 -0.04 -0.69 0.00 0.00 174.62 175.56 2kc1 s MET 24 N -0.37 4.10 0.21 4.92 -1.94 -1.26 -1.55 119.30 123.40 2kc1 s MET 24 Ca 0.46 1.78 -0.09 0.00 -1.71 0.00 0.00 55.69 56.13 2kc1 s MET 24 Cb -0.25 -2.68 0.23 0.00 2.01 0.00 0.00 34.83 34.14 2kc1 s MET 24 CO 0.32 -0.27 1.81 0.28 -0.01 0.00 0.00 175.02 177.15 2kc1 h VAL 25 N 2.34 0.99 0.00 -6.03 2.07 -1.13 0.39 116.25 114.88 2kc1 h VAL 25 Ca -0.49 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2kc1 h VAL 25 Cb 1.23 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2kc1 h VAL 25 CO 0.63 0.13 -0.28 0.10 0.02 0.00 0.00 177.57 178.16 2kc1 h TYR 26 N 0.71 0.00 0.03 1.57 -0.00 -1.82 -1.31 116.97 116.14 2kc1 h TYR 26 Ca 0.30 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.79 2kc1 h TYR 26 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.87 2kc1 h TYR 26 CO -0.07 0.28 -1.15 0.22 -0.00 0.00 0.00 178.16 177.44 2kc1 h ASP 27 N 0.00 0.10 -0.51 0.10 3.58 -1.39 -1.15 116.42 117.15 2kc1 h ASP 27 Ca -0.00 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 2kc1 h ASP 27 Cb 0.62 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2kc1 h ASP 27 CO 0.04 1.09 0.13 0.00 -2.88 0.00 0.00 179.24 177.61 2kc1 h ALA 28 N 0.90 0.67 -0.89 -0.78 0.00 0.15 0.29 119.26 119.60 2kc1 h ALA 28 Ca -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2kc1 h ALA 28 Cb 1.85 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2kc1 h ALA 28 CO 0.14 0.36 0.53 0.00 0.00 0.00 0.00 179.25 180.28 2kc1 h ARG 30 N 1.23 0.91 -0.57 0.00 2.43 -0.61 -2.10 114.38 115.68 2kc1 h ARG 30 Ca 0.32 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 2kc1 h ARG 30 Cb -0.04 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 2kc1 h ARG 30 CO -0.06 0.60 0.18 0.52 -1.51 0.00 0.00 179.97 179.71 2kc1 h MET 31 N 0.94 0.85 -0.32 0.20 2.86 0.35 -1.57 114.93 118.23 2kc1 h MET 31 Ca 0.33 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.73 2kc1 h MET 31 Cb 0.09 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2kc1 h MET 31 CO -0.14 0.73 -0.18 0.82 1.06 0.00 0.00 176.91 179.19 2kc1 h ILE 32 N 0.82 1.29 -0.76 -1.22 2.04 -0.90 0.22 117.51 119.00 2kc1 h ILE 32 Ca 0.19 -1.30 0.11 0.00 1.00 0.00 0.00 64.86 64.86 2kc1 h ILE 32 Cb 0.23 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2kc1 h ILE 32 CO -0.01 0.42 0.50 0.03 0.00 0.00 0.00 178.15 179.09 2kc1 h ARG 33 N 0.45 0.59 0.10 2.37 3.08 -1.08 0.69 114.38 120.59 2kc1 h ARG 33 Ca 0.07 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.82 2kc1 h ARG 33 Cb 0.72 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2kc1 h ARG 33 CO 0.05 0.39 -1.17 0.93 -1.07 0.00 0.00 179.97 179.10 2kc1 h GLU 34 N 0.61 0.29 0.03 0.04 4.39 -0.75 -3.38 114.58 115.80 2kc1 h GLU 34 Ca 0.36 -0.45 -0.18 0.00 0.34 0.00 0.00 59.36 59.43 2kc1 h GLU 34 Cb 0.57 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2kc1 h GLU 34 CO -0.13 1.19 -0.98 -0.09 -1.16 0.00 0.00 179.01 177.83 2kc1 h ARG 35 N 0.10 0.06 -5.27 2.33 9.65 0.22 -3.46 114.38 118.01 2kc1 h ARG 35 Ca -0.12 -0.10 -0.66 0.00 -1.10 0.00 0.00 59.98 58.00 2kc1 h ARG 35 Cb 1.88 0.04 -0.29 0.00 -1.39 0.00 0.00 29.97 30.20 2kc1 h ARG 35 CO 0.19 1.05 -0.80 0.42 2.80 0.00 0.00 179.97 183.63 2kc1 s ILE 36 N -2.35 2.70 -0.45 1.20 1.01 0.23 -4.99 121.20 118.55 2kc1 s ILE 36 Ca -0.24 -0.78 0.25 0.00 0.00 0.00 0.00 60.65 59.89 2kc1 s ILE 36 Cb 0.03 -2.12 0.28 0.00 0.01 0.00 0.00 42.46 40.66 2kc1 s ILE 36 CO 0.66 0.53 1.76 1.55 0.00 0.00 0.00 174.94 179.43 2kc1 h PRO 37 N 6.97 0.00 0.00 2.79 0.13 -1.80 -2.96 132.00 137.13 2kc1 h PRO 37 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 2kc1 h PRO 37 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kc1 h PRO 37 CO 0.55 0.00 -0.19 0.93 -0.23 0.00 0.00 178.00 179.06 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 5.08 -1.92 -2.09 114.58 116.51 2kc1 h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kc1 h GLU 38 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kc1 h GLU 38 CO 0.00 0.19 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 2kc1 n ALA 39 N -2.19 2.30 -2.69 3.43 0.00 -1.12 -4.82 120.51 115.42 2kc1 n ALA 39 Ca 0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2kc1 n ALA 39 Cb 0.44 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.84 4.31 0.00 0.00 1.43 -0.79 -4.63 118.68 115.17 2kc1 s LEU 40 Ca 0.12 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 2kc1 s LEU 40 Cb 0.15 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2kc1 s LEU 40 CO 0.57 -0.35 0.00 0.00 0.23 0.00 0.00 176.35 176.79 2kc1 n ALA 41 N 4.41 0.00 -3.56 4.21 0.00 -1.26 -5.07 120.51 119.23 2kc1 n ALA 41 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2kc1 n ALA 41 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.68 0.80 3.76 0.00 0.00 -1.26 -5.16 105.19 102.65 2kc1 n GLY 42 Ca 0.00 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.03 3.39 0.00 1.61 0.02 -1.26 -4.88 135.00 131.85 2kc1 s PRO 43 Ca 0.15 2.09 0.12 0.00 0.02 0.00 0.00 61.00 63.38 2kc1 s PRO 43 Cb -0.02 -2.34 0.64 0.00 0.02 0.00 0.00 34.50 32.80 2kc1 s PRO 43 CO 0.03 -0.95 1.27 -2.30 -0.33 0.00 0.00 177.00 174.72 2kc1 n PRO 44 N -0.78 0.22 0.09 5.54 -0.02 -1.26 -1.21 135.00 137.57 2kc1 n PRO 44 Ca 0.09 0.13 0.10 0.00 -2.02 0.00 0.00 63.50 61.81 2kc1 n PRO 44 Cb 0.46 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 2kc1 n PRO 44 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kc1 n ASN 45 N -1.22 0.75 0.15 2.55 4.13 -1.26 -3.70 115.26 116.66 2kc1 n ASN 45 Ca 0.07 0.29 0.10 0.00 1.68 0.00 0.00 54.58 56.72 2kc1 n ASN 45 Cb 0.08 0.60 0.06 0.00 -1.54 0.00 0.00 39.78 38.99 2kc1 n ASN 45 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2kc1 h ASP 46 N 0.00 0.00 -5.71 6.41 3.32 -1.53 -3.47 116.42 115.44 2kc1 h ASP 46 Ca -0.02 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.44 2kc1 h ASP 46 Cb 1.05 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 2kc1 h ASP 46 CO 0.00 0.09 -0.31 0.49 -1.72 0.00 0.00 179.24 177.79 2kc1 n PHE 47 N -2.91 -0.28 -3.60 4.55 3.01 -1.18 -0.96 117.46 116.08 2kc1 n PHE 47 Ca 0.01 -2.37 0.03 0.00 1.01 0.00 0.00 57.45 56.13 2kc1 n PHE 47 Cb 0.58 -0.43 -0.00 0.00 -0.01 0.00 0.00 39.48 39.62 2kc1 n PHE 47 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2kc1 s GLY 48 N -4.18 -0.44 -0.06 1.37 0.00 0.20 -4.59 107.32 99.62 2kc1 s GLY 48 Ca 0.26 0.78 -0.24 0.00 0.00 0.00 0.00 44.72 45.52 2kc1 s GLY 48 CO 0.17 0.32 0.74 1.08 0.00 0.00 0.00 173.10 175.40 2kc1 s LEU 49 N -3.01 4.32 -0.24 0.66 1.43 -1.26 -1.78 118.68 118.79 2kc1 s LEU 49 Ca 0.15 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2kc1 s LEU 49 Cb 0.06 -3.15 0.05 0.00 0.03 0.00 0.00 46.19 43.17 2kc1 s LEU 49 CO -0.05 -0.15 -0.13 0.12 0.23 0.00 0.00 176.35 176.37 2kc1 s PHE 50 N 0.89 3.12 -0.55 0.29 5.36 -0.07 -1.19 117.98 125.83 2kc1 s PHE 50 Ca 0.39 -2.09 -0.27 0.00 -0.96 0.00 0.00 56.93 54.01 2kc1 s PHE 50 Cb -0.18 -1.94 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 2kc1 s PHE 50 CO 0.19 -0.85 1.74 -1.17 -1.46 0.00 0.00 175.22 173.67 2kc1 s LEU 51 N 1.17 3.35 0.42 6.12 2.96 -0.21 -0.01 118.68 132.48 2kc1 s LEU 51 Ca -0.05 0.48 -0.25 0.00 -0.22 0.00 0.00 54.13 54.10 2kc1 s LEU 51 Cb -0.18 -2.82 -0.08 0.00 0.50 0.00 0.00 46.19 43.61 2kc1 s LEU 51 CO -0.07 -2.10 1.21 -0.94 -1.32 0.00 0.00 176.35 173.13 2kc1 s SER 52 N 6.83 6.32 0.03 3.68 1.04 -1.18 -2.80 113.70 127.62 2kc1 s SER 52 Ca 0.65 2.44 0.00 0.00 0.48 0.00 0.00 55.95 59.52 2kc1 s SER 52 Cb -0.14 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.36 2kc1 s SER 52 CO 0.24 -0.82 0.03 -0.67 0.98 0.00 0.00 173.24 172.99 2kc1 n ASP 53 N -0.09 -0.07 -0.04 7.02 -0.08 -1.26 -4.91 116.55 117.12 2kc1 n ASP 53 Ca 0.05 -1.16 -0.09 0.00 -1.51 0.00 0.00 54.79 52.08 2kc1 n ASP 53 Cb 0.46 0.15 0.06 0.00 2.34 0.00 0.00 41.12 44.13 2kc1 n ASP 53 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kc1 h ASP 54 N 0.16 0.73 -4.05 1.67 3.58 -1.96 -3.44 116.42 113.10 2kc1 h ASP 54 Ca -0.02 -0.33 -0.58 0.00 0.42 0.00 0.00 57.03 56.52 2kc1 h ASP 54 Cb 0.09 -0.20 -0.31 0.00 1.72 0.00 0.00 39.33 40.63 2kc1 h ASP 54 CO 0.03 1.04 -0.85 -0.62 -2.88 0.00 0.00 179.24 175.96 2kc1 s ASP 55 N -6.85 2.30 0.28 2.28 -1.08 -1.26 -5.02 116.67 107.31 2kc1 s ASP 55 Ca -0.09 -0.37 0.21 0.00 -0.52 0.00 0.00 52.55 51.78 2kc1 s ASP 55 Cb 0.12 -0.53 1.04 0.00 -1.46 0.00 0.00 42.92 42.09 2kc1 s ASP 55 CO 0.84 0.19 1.63 -0.81 0.52 0.00 0.00 175.17 177.54 2kc1 n PRO 56 N 2.96 0.14 0.08 4.34 -0.04 -1.26 -0.80 135.00 140.42 2kc1 n PRO 56 Ca -0.17 0.57 -0.07 0.00 -0.04 0.00 0.00 63.50 63.78 2kc1 n PRO 56 Cb 0.53 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2kc1 n PRO 56 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kc1 h LYS 57 N 0.00 0.06 0.00 0.54 3.64 -1.99 -3.26 116.57 115.56 2kc1 h LYS 57 Ca 0.00 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2kc1 h LYS 57 Cb 0.10 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2kc1 h LYS 57 CO 0.00 0.96 -1.19 0.87 -2.27 0.00 0.00 179.45 177.83 2kc1 h LYS 58 N 0.02 0.00 -6.63 1.90 1.57 -1.38 -3.45 116.57 108.60 2kc1 h LYS 58 Ca -0.03 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 2kc1 h LYS 58 Cb 1.66 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.00 2kc1 h LYS 58 CO 0.13 0.14 0.67 0.20 -0.57 0.00 0.00 179.45 180.02 2kc1 s GLY 59 N -4.57 2.31 -0.05 3.86 0.00 -0.22 -4.86 107.32 103.79 2kc1 s GLY 59 Ca -0.02 1.11 0.05 0.00 0.00 0.00 0.00 44.72 45.86 2kc1 s GLY 59 CO 0.80 2.16 -0.20 -0.26 0.00 0.00 0.00 173.10 175.60 2kc1 s ILE 60 N 0.44 2.56 -0.20 0.90 -4.36 -1.12 -4.90 121.20 114.53 2kc1 s ILE 60 Ca 0.59 -0.90 -0.25 0.00 -0.26 0.00 0.00 60.65 59.83 2kc1 s ILE 60 Cb -0.36 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 2kc1 s ILE 60 CO 0.36 0.58 0.83 0.26 0.24 0.00 0.00 174.94 177.20 2kc1 s TRP 61 N -0.46 3.38 0.12 1.37 0.52 -1.26 -1.05 118.94 121.55 2kc1 s TRP 61 Ca 0.05 1.21 -0.30 0.00 0.02 0.00 0.00 56.10 57.08 2kc1 s TRP 61 Cb -0.12 -3.03 -0.07 0.00 -1.15 0.00 0.00 33.47 29.11 2kc1 s TRP 61 CO 0.01 -0.30 1.14 -0.51 0.02 0.00 0.00 176.95 177.31 2kc1 s LEU 62 N 2.41 4.43 0.19 2.99 1.02 -0.33 -5.01 118.68 124.38 2kc1 s LEU 62 Ca 0.37 2.04 -0.30 0.00 0.02 0.00 0.00 54.13 56.26 2kc1 s LEU 62 Cb -0.16 -3.59 -0.08 0.00 0.02 0.00 0.00 46.19 42.38 2kc1 s LEU 62 CO 0.10 -0.33 0.95 -1.61 0.02 0.00 0.00 176.35 175.48 2kc1 s GLU 63 N 0.29 4.80 0.39 1.70 2.02 -1.26 -4.55 118.70 122.09 2kc1 s GLU 63 Ca 0.53 1.47 0.08 0.00 0.02 0.00 0.00 54.97 57.08 2kc1 s GLU 63 Cb -0.29 -3.31 0.84 0.00 0.10 0.00 0.00 34.13 31.46 2kc1 s GLU 63 CO 0.32 0.41 1.97 0.00 0.02 0.00 0.00 175.26 177.99 2kc1 h ALA 64 N 4.65 1.80 0.00 5.21 0.00 -1.95 -1.03 119.26 127.94 2kc1 h ALA 64 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kc1 h ALA 64 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kc1 h ALA 64 CO 0.69 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2kc1 n GLY 65 N -1.47 -0.96 3.68 0.00 0.00 -1.26 -3.77 105.19 101.41 2kc1 n GLY 65 Ca 0.10 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 2.16 0.44 1.61 -0.14 -0.39 -5.00 119.74 116.42 2kc1 s LYS 66 Ca 0.20 -1.79 0.08 0.00 -1.36 0.00 0.00 55.97 53.10 2kc1 s LYS 66 Cb 0.09 -1.96 0.01 0.00 -1.68 0.00 0.00 37.83 34.29 2kc1 s LYS 66 CO 0.16 0.02 0.49 0.00 -0.76 0.00 0.00 175.35 175.25 2kc1 s ALA 67 N -2.55 4.31 -0.03 5.17 0.00 -1.26 -0.93 121.76 126.47 2kc1 s ALA 67 Ca 0.38 -1.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.28 2kc1 s ALA 67 Cb 0.02 -1.24 -0.20 0.00 0.00 0.00 0.00 23.12 21.70 2kc1 s ALA 67 CO 0.21 -0.33 1.22 -0.07 0.00 0.00 0.00 175.76 176.79 2kc1 h LEU 68 N 0.79 -0.02 -2.57 0.00 3.38 -1.26 -3.08 115.31 112.55 2kc1 h LEU 68 Ca -0.39 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.09 2kc1 h LEU 68 Cb 1.28 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 2kc1 h LEU 68 CO 0.52 0.48 -0.01 -0.78 0.09 0.00 0.00 178.44 178.74 2kc1 h ASP 69 N -0.54 0.00 0.24 -0.43 3.58 -1.45 -0.50 116.42 117.32 2kc1 h ASP 69 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2kc1 h ASP 69 Cb 0.51 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 2kc1 h ASP 69 CO 0.00 0.01 -0.10 0.22 -2.88 0.00 0.00 179.24 176.49 2kc1 h TYR 70 N 0.00 0.00 -0.28 0.28 3.20 -1.79 -1.83 116.97 116.55 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 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2kc1 h TYR 70 CO 0.00 0.10 0.00 0.66 -1.64 0.00 0.00 178.16 177.28 2kc1 n TYR 71 N -3.84 0.34 -3.13 -3.82 4.01 -0.20 -4.96 117.16 105.56 2kc1 n TYR 71 Ca -0.02 -0.18 -0.22 0.00 -0.16 0.00 0.00 57.90 57.31 2kc1 n TYR 71 Cb 0.20 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 2kc1 n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kc1 n MET 72 N 1.38 -4.34 -2.62 -0.72 2.81 -0.69 -4.96 117.12 107.99 2kc1 n MET 72 Ca 0.17 0.75 -0.37 0.00 -1.81 0.00 0.00 57.70 56.44 2kc1 n MET 72 Cb 0.58 -5.56 -0.05 0.00 -0.71 0.00 0.00 33.22 27.48 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 -6.60 4.25 0.14 4.03 0.05 -1.25 -5.05 118.68 114.25 2kc1 s LEU 73 Ca 0.33 1.99 0.05 0.00 0.05 0.00 0.00 54.13 56.56 2kc1 s LEU 73 Cb -0.16 -4.07 -0.04 0.00 -2.05 0.00 0.00 46.19 39.87 2kc1 s LEU 73 CO 0.41 -0.32 -0.11 -0.13 -0.55 0.00 0.00 176.35 175.65 2kc1 s ARG 74 N -2.25 1.04 0.18 1.48 0.52 -1.26 -4.86 118.95 113.80 2kc1 s ARG 74 Ca 0.54 -1.37 -0.32 0.00 -0.52 0.00 0.00 55.73 54.06 2kc1 s ARG 74 Cb -0.22 -0.72 -0.11 0.00 0.52 0.00 0.00 34.95 34.42 2kc1 s ARG 74 CO 0.28 0.11 1.65 0.54 0.02 0.00 0.00 175.30 177.90 2kc1 s ASN 75 N -2.90 6.49 0.00 0.23 4.22 -1.26 -1.30 114.94 120.42 2kc1 s ASN 75 Ca 0.14 2.73 0.00 0.00 -2.14 0.00 0.00 52.86 53.59 2kc1 s ASN 75 Cb -0.00 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 39.93 2kc1 s ASN 75 CO 0.02 -0.90 0.00 0.61 -2.04 0.00 0.00 177.10 174.79 2kc1 n GLY 76 N 3.88 2.53 3.88 0.45 0.00 0.17 -4.90 105.19 111.21 2kc1 n GLY 76 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2kc1 n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc1 s ASP 77 N -1.30 5.41 -0.05 1.61 2.15 -0.42 -4.75 116.67 119.32 2kc1 s ASP 77 Ca 0.00 1.13 0.06 0.00 0.43 0.00 0.00 52.55 54.17 2kc1 s ASP 77 Cb 0.00 -1.92 -0.01 0.00 -0.30 0.00 0.00 42.92 40.68 2kc1 s ASP 77 CO 0.00 -1.36 -0.23 -0.89 -0.17 0.00 0.00 175.17 172.52 2kc1 s THR 78 N -3.36 1.89 -0.01 1.71 2.01 -1.26 0.15 115.64 116.77 2kc1 s THR 78 Ca 0.58 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2kc1 s THR 78 Cb -0.11 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 2kc1 s THR 78 CO 0.52 0.53 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.85 2kc1 s MET 79 N -0.22 0.71 -0.45 4.92 -1.94 0.45 -3.13 119.30 119.65 2kc1 s MET 79 Ca -0.01 -0.30 -0.19 0.00 -1.71 0.00 0.00 55.69 53.49 2kc1 s MET 79 Cb -0.12 -0.69 0.03 0.00 2.01 0.00 0.00 34.83 36.06 2kc1 s MET 79 CO 0.02 0.17 0.57 -1.21 -0.01 0.00 0.00 175.02 174.56 2kc1 s GLU 80 N -0.13 3.18 -0.64 2.03 2.02 0.99 0.17 118.70 126.32 2kc1 s GLU 80 Ca 0.02 -0.62 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 2kc1 s GLU 80 Cb -0.04 -3.99 0.02 0.00 0.10 0.00 0.00 34.13 30.22 2kc1 s GLU 80 CO -0.00 -1.01 1.30 -0.47 0.02 0.00 0.00 175.26 175.10 2kc1 s TYR 81 N 2.55 2.38 0.17 1.61 5.04 -0.85 -0.89 117.35 127.36 2kc1 s TYR 81 Ca 0.17 0.26 -0.06 0.00 -2.44 0.00 0.00 57.07 55.00 2kc1 s TYR 81 Cb -0.16 -4.52 -0.02 0.00 0.35 0.00 0.00 41.96 37.60 2kc1 s TYR 81 CO 0.16 -1.89 0.21 -0.98 -1.34 0.00 0.00 175.55 171.71 2kc1 s ARG 82 N 5.45 1.14 0.15 4.97 1.70 -0.74 -4.23 118.95 127.41 2kc1 s ARG 82 Ca 0.43 -1.34 -0.31 0.00 -0.47 0.00 0.00 55.73 54.03 2kc1 s ARG 82 Cb -0.08 0.33 -0.10 0.00 -0.57 0.00 0.00 34.95 34.53 2kc1 s ARG 82 CO 0.21 -0.39 1.56 0.21 -1.08 0.00 0.00 175.30 175.81 2kc1 s LYS 83 N -4.03 4.22 0.35 3.89 2.20 -1.26 -0.62 119.74 124.48 2kc1 s LYS 83 Ca 0.24 2.34 0.01 0.00 -0.36 0.00 0.00 55.97 58.19 2kc1 s LYS 83 Cb 0.05 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 2kc1 s LYS 83 CO 0.04 -0.60 0.54 -1.59 -0.36 0.00 0.00 175.35 173.37 2kc1 s LYS 84 N 1.26 3.44 0.00 4.03 -2.85 -0.14 -4.86 119.74 120.62 2kc1 s LYS 84 Ca 0.70 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 2kc1 s LYS 84 Cb -0.43 -2.68 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 2kc1 s LYS 84 CO 0.31 0.14 0.00 0.94 0.10 0.00 0.00 175.35 176.84