#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 1.96 0.11 -0.61 2.07 -1.26 -5.11 121.20 118.37 2kc1 s ILE -4 Ca 0.00 -1.02 -0.31 0.00 -1.41 0.00 0.00 60.65 57.91 2kc1 s ILE -4 Cb 0.00 -1.65 -0.08 0.00 0.13 0.00 0.00 42.46 40.86 2kc1 s ILE -4 CO 0.00 0.55 1.35 -0.62 -1.91 0.00 0.00 174.94 174.31 2kc1 s ASP -3 N -0.23 6.87 0.15 4.50 2.15 -1.26 -4.93 116.67 123.92 2kc1 s ASP -3 Ca -0.01 2.28 -0.34 0.00 0.43 0.00 0.00 52.55 54.91 2kc1 s ASP -3 Cb -0.13 -2.59 -0.15 0.00 -0.30 0.00 0.00 42.92 39.76 2kc1 s ASP -3 CO 0.03 -0.61 1.50 -0.81 -0.17 0.00 0.00 175.17 175.10 2kc1 n PRO -2 N 3.85 1.87 -3.19 4.34 -0.04 -1.26 -4.99 135.00 135.58 2kc1 n PRO -2 Ca 0.11 0.67 -0.21 0.00 -0.04 0.00 0.00 63.50 64.03 2kc1 n PRO -2 Cb 0.43 -2.40 0.01 0.00 -0.04 0.00 0.00 33.50 31.50 2kc1 n PRO -2 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2kc1 s PHE -1 N 0.73 3.12 -0.04 0.54 -0.71 -1.26 -5.12 117.98 115.24 2kc1 s PHE -1 Ca 0.80 -0.03 0.04 0.00 -1.04 0.00 0.00 56.93 56.69 2kc1 s PHE -1 Cb -0.75 -2.20 0.00 0.00 -1.21 0.00 0.00 43.02 38.86 2kc1 s PHE -1 CO 0.41 -0.24 -0.15 0.99 -1.34 0.00 0.00 175.22 174.89 2kc1 s THR 0 N -2.38 1.26 0.27 -4.49 2.01 -1.26 -5.06 115.64 105.97 2kc1 s THR 0 Ca 0.48 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.87 2kc1 s THR 0 Cb -0.10 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2kc1 s THR 0 CO 0.34 0.37 0.00 0.80 -0.69 0.00 0.00 174.62 175.44 2kc1 n MET 1 N 3.27 -1.46 -1.64 4.92 0.00 -1.26 -4.71 117.12 116.23 2kc1 n MET 1 Ca -0.19 1.19 -0.43 0.00 -0.00 0.00 0.00 57.70 58.28 2kc1 n MET 1 Cb 0.53 -1.67 -0.03 0.00 0.00 0.00 0.00 33.22 32.05 2kc1 n MET 1 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2kc1 s VAL 2 N -3.69 3.04 0.16 1.12 0.11 -1.26 -4.96 120.40 114.93 2kc1 s VAL 2 Ca 0.00 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 2kc1 s VAL 2 Cb 0.00 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 2kc1 s VAL 2 CO 0.00 -0.03 0.30 0.00 -3.33 0.00 0.00 175.10 172.04 2kc1 s ALA 3 N 7.61 3.96 -0.52 1.54 0.00 -1.26 -4.49 121.76 128.59 2kc1 s ALA 3 Ca 0.97 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 2kc1 s ALA 3 Cb -0.34 -1.78 0.09 0.00 0.00 0.00 0.00 23.12 21.09 2kc1 s ALA 3 CO 0.36 0.50 0.55 -0.51 0.00 0.00 0.00 175.76 176.65 2kc1 s LEU 4 N -3.33 5.55 -0.56 0.00 1.02 0.15 -4.84 118.68 116.67 2kc1 s LEU 4 Ca 0.35 -1.37 -0.20 0.00 0.02 0.00 0.00 54.13 52.93 2kc1 s LEU 4 Cb -0.11 -2.28 0.07 0.00 0.02 0.00 0.00 46.19 43.89 2kc1 s LEU 4 CO 0.29 -0.86 0.75 -0.44 0.02 0.00 0.00 176.35 176.11 2kc1 s SER 5 N 3.10 6.23 0.27 2.29 0.01 -1.26 -0.07 113.70 124.26 2kc1 s SER 5 Ca 0.08 -0.95 0.11 0.00 1.31 0.00 0.00 55.95 56.50 2kc1 s SER 5 Cb -0.24 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2kc1 s SER 5 CO 0.07 -1.09 -0.09 -0.76 0.41 0.00 0.00 173.24 171.78 2kc1 s LEU 6 N 3.11 2.93 -0.38 2.44 1.02 0.02 -0.67 118.68 127.16 2kc1 s LEU 6 Ca 0.18 -0.80 -0.19 0.00 0.02 0.00 0.00 54.13 53.34 2kc1 s LEU 6 Cb -0.19 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.57 2kc1 s LEU 6 CO 0.12 0.02 0.56 -0.54 0.02 0.00 0.00 176.35 176.53 2kc1 s LYS 7 N -3.55 3.51 -0.30 1.70 1.02 0.39 -0.88 119.74 121.62 2kc1 s LYS 7 Ca 0.30 -0.22 -0.23 0.00 0.02 0.00 0.00 55.97 55.84 2kc1 s LYS 7 Cb -0.06 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 2kc1 s LYS 7 CO 0.18 -0.77 0.79 0.42 -0.92 0.00 0.00 175.35 175.04 2kc1 s ILE 8 N 2.54 4.80 -0.39 2.17 -1.09 0.12 -0.44 121.20 128.90 2kc1 s ILE 8 Ca 0.20 1.19 -0.08 0.00 -2.23 0.00 0.00 60.65 59.74 2kc1 s ILE 8 Cb -0.15 -4.14 0.07 0.00 -1.58 0.00 0.00 42.46 36.66 2kc1 s ILE 8 CO 0.15 -0.24 0.20 -0.55 -1.23 0.00 0.00 174.94 173.27 2kc1 s SER 9 N 1.61 5.49 -0.64 3.58 0.15 -0.25 -0.58 113.70 123.07 2kc1 s SER 9 Ca 0.32 -1.45 -0.15 0.00 0.70 0.00 0.00 55.95 55.37 2kc1 s SER 9 Cb -0.14 -1.93 0.16 0.00 -1.71 0.00 0.00 66.02 62.40 2kc1 s SER 9 CO 0.12 -0.47 0.60 -0.63 1.20 0.00 0.00 173.24 174.06 2kc1 s ILE 10 N 1.39 5.34 0.00 6.45 1.01 0.72 -2.62 121.20 133.49 2kc1 s ILE 10 Ca 0.02 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 58.84 2kc1 s ILE 10 Cb -0.22 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.86 2kc1 s ILE 10 CO 0.02 -0.94 0.00 0.61 0.00 0.00 0.00 174.94 174.63 2kc1 n GLY 11 N 4.81 1.86 0.00 6.18 0.00 -1.26 -1.54 105.19 115.24 2kc1 n GLY 11 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2kc1 n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kc1 n ASN 12 N 5.34 0.32 -4.61 1.61 6.94 -1.26 -5.05 115.26 118.55 2kc1 n ASN 12 Ca 0.00 -1.12 -0.41 0.00 -0.02 0.00 0.00 54.58 53.03 2kc1 n ASN 12 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2kc1 n ASN 12 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2kc1 s VAL 13 N -0.12 4.94 -0.24 3.53 1.01 -0.59 -5.04 120.40 123.89 2kc1 s VAL 13 Ca 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 2kc1 s VAL 13 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2kc1 s VAL 13 CO 0.00 -0.07 -0.03 -0.69 0.00 0.00 0.00 175.10 174.31 2kc1 s VAL 14 N 2.60 3.33 -0.08 2.92 1.01 -1.25 -0.20 120.40 128.73 2kc1 s VAL 14 Ca 0.26 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2kc1 s VAL 14 Cb -0.15 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 2kc1 s VAL 14 CO 0.10 0.32 -0.20 -0.54 0.00 0.00 0.00 175.10 174.77 2kc1 s LYS 15 N 1.44 2.85 -0.22 2.72 3.01 0.26 -4.91 119.74 124.89 2kc1 s LYS 15 Ca 0.04 -0.82 -0.27 0.00 -1.01 0.00 0.00 55.97 53.91 2kc1 s LYS 15 Cb -0.15 -2.34 0.00 0.00 -1.01 0.00 0.00 37.83 34.33 2kc1 s LYS 15 CO -0.03 0.33 0.94 0.99 0.51 0.00 0.00 175.35 178.09 2kc1 s THR 16 N -0.01 4.77 -0.02 2.17 2.01 -1.26 0.14 115.64 123.43 2kc1 s THR 16 Ca -0.07 1.82 0.06 0.00 0.31 0.00 0.00 61.69 63.82 2kc1 s THR 16 Cb -0.15 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2kc1 s THR 16 CO 0.05 -0.10 -0.21 -0.04 -0.69 0.00 0.00 174.62 173.62 2kc1 s MET 17 N 2.86 1.81 -0.41 4.92 -1.94 -0.05 -4.97 119.30 121.52 2kc1 s MET 17 Ca 0.40 -0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 53.52 2kc1 s MET 17 Cb -0.16 -1.70 0.06 0.00 2.01 0.00 0.00 34.83 35.04 2kc1 s MET 17 CO 0.08 0.42 0.27 -0.65 -0.01 0.00 0.00 175.02 175.13 2kc1 s GLN 18 N -0.40 2.77 0.27 2.03 -0.21 -1.26 -0.80 119.66 122.06 2kc1 s GLN 18 Ca 0.06 -1.29 0.04 0.00 0.02 0.00 0.00 55.36 54.18 2kc1 s GLN 18 Cb -0.09 -3.84 -0.03 0.00 1.00 0.00 0.00 33.01 30.05 2kc1 s GLN 18 CO -0.00 -0.87 0.41 -0.06 -2.12 0.00 0.00 175.29 172.64 2kc1 s PHE 19 N 1.52 3.45 0.32 0.91 0.08 0.90 -4.83 117.98 120.33 2kc1 s PHE 19 Ca 0.03 0.06 -0.12 0.00 0.12 0.00 0.00 56.93 57.02 2kc1 s PHE 19 Cb -0.22 -1.66 -0.08 0.00 -0.57 0.00 0.00 43.02 40.50 2kc1 s PHE 19 CO 0.05 0.35 0.68 -1.21 -0.10 0.00 0.00 175.22 174.99 2kc1 s GLU 20 N -4.07 3.86 0.38 0.44 0.41 -1.26 0.31 118.70 118.78 2kc1 s GLU 20 Ca 0.36 0.46 0.07 0.00 -0.41 0.00 0.00 54.97 55.45 2kc1 s GLU 20 Cb -0.09 -2.49 0.77 0.00 -1.78 0.00 0.00 34.13 30.54 2kc1 s GLU 20 CO 0.31 0.15 1.97 -1.00 -0.49 0.00 0.00 175.26 176.20 2kc1 h PRO 21 N 2.02 0.45 -0.09 0.39 0.13 -1.96 -1.61 132.00 131.33 2kc1 h PRO 21 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kc1 h PRO 21 Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kc1 h PRO 21 CO 0.66 0.41 0.00 -1.13 -0.23 0.00 0.00 178.00 177.71 2kc1 n SER 22 N -4.37 0.93 -4.67 1.44 3.41 -1.26 -2.61 113.62 106.50 2kc1 n SER 22 Ca 0.01 -1.58 -0.43 0.00 -0.26 0.00 0.00 58.87 56.62 2kc1 n SER 22 Cb 0.17 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 2kc1 n SER 22 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kc1 s THR 23 N -1.88 4.21 0.64 6.66 2.01 -0.61 -4.87 115.64 121.80 2kc1 s THR 23 Ca 0.30 1.48 -0.12 0.00 0.31 0.00 0.00 61.69 63.66 2kc1 s THR 23 Cb 0.15 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2kc1 s THR 23 CO 0.24 -0.11 1.04 -0.04 -0.69 0.00 0.00 174.62 175.07 2kc1 s MET 24 N 3.29 3.28 0.14 4.92 -1.94 -1.26 -0.17 119.30 127.55 2kc1 s MET 24 Ca 0.56 0.95 -0.18 0.00 -1.71 0.00 0.00 55.69 55.31 2kc1 s MET 24 Cb -0.23 -2.04 -0.00 0.00 2.01 0.00 0.00 34.83 34.57 2kc1 s MET 24 CO 0.17 -0.83 1.73 0.28 -0.01 0.00 0.00 175.02 176.37 2kc1 h VAL 25 N -0.24 0.88 0.00 -6.03 2.07 -0.65 0.38 116.25 112.66 2kc1 h VAL 25 Ca -0.45 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2kc1 h VAL 25 Cb 1.20 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2kc1 h VAL 25 CO 0.59 0.03 -0.10 0.10 0.02 0.00 0.00 177.57 178.20 2kc1 h TYR 26 N 0.15 0.00 0.14 1.57 -0.00 -1.82 -0.50 116.97 116.51 2kc1 h TYR 26 Ca 0.12 0.00 -0.30 0.00 -0.00 0.00 0.00 58.73 58.55 2kc1 h TYR 26 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.85 2kc1 h TYR 26 CO -0.16 0.10 -1.43 0.22 -0.00 0.00 0.00 178.16 176.89 2kc1 h ASP 27 N 0.00 0.47 -0.20 0.10 3.58 -1.47 -2.95 116.42 115.94 2kc1 h ASP 27 Ca -0.00 -0.57 -0.04 0.00 0.42 0.00 0.00 57.03 56.83 2kc1 h ASP 27 Cb 0.39 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2kc1 h ASP 27 CO 0.01 1.46 -0.04 0.00 -2.88 0.00 0.00 179.24 177.79 2kc1 h ALA 28 N 0.47 0.28 0.00 -0.78 0.00 0.52 -1.45 119.26 118.30 2kc1 h ALA 28 Ca -0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2kc1 h ALA 28 Cb 2.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2kc1 h ALA 28 CO 0.19 0.05 -0.17 0.00 0.00 0.00 0.00 179.25 179.32 2kc1 h ARG 30 N 0.00 0.66 -0.93 0.00 9.65 -1.28 -3.10 114.38 119.38 2kc1 h ARG 30 Ca -0.00 -0.31 0.08 0.00 -1.10 0.00 0.00 59.98 58.64 2kc1 h ARG 30 Cb 0.38 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.89 2kc1 h ARG 30 CO 0.02 0.91 0.60 0.52 2.80 0.00 0.00 179.97 184.82 2kc1 h MET 31 N 0.41 1.00 -0.49 0.20 2.86 -0.63 -2.31 114.93 115.97 2kc1 h MET 31 Ca 0.06 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2kc1 h MET 31 Cb 0.74 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2kc1 h MET 31 CO 0.05 0.66 0.09 0.82 1.06 0.00 0.00 176.91 179.60 2kc1 h ILE 32 N 1.03 1.25 -0.16 -1.22 2.04 -1.45 0.31 117.51 119.32 2kc1 h ILE 32 Ca 0.41 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2kc1 h ILE 32 Cb 0.25 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2kc1 h ILE 32 CO -0.17 0.32 0.02 0.03 0.00 0.00 0.00 178.15 178.36 2kc1 h ARG 33 N 0.69 0.22 0.23 2.37 3.08 -1.38 0.91 114.38 120.50 2kc1 h ARG 33 Ca 0.15 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.84 2kc1 h ARG 33 Cb 0.38 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.42 2kc1 h ARG 33 CO 0.01 0.23 -1.53 0.93 -1.07 0.00 0.00 179.97 178.54 2kc1 h GLU 34 N 0.22 0.48 0.14 0.04 5.08 -1.04 -3.38 114.58 116.12 2kc1 h GLU 34 Ca 0.05 -0.83 -0.33 0.00 -1.00 0.00 0.00 59.36 57.26 2kc1 h GLU 34 Cb 0.13 0.31 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2kc1 h GLU 34 CO 0.00 1.39 -1.68 0.00 -1.00 0.00 0.00 179.01 177.72 2kc1 h ARG 35 N 0.13 0.30 -5.21 2.33 2.47 0.10 -3.45 114.38 111.06 2kc1 h ARG 35 Ca -0.27 -0.52 -0.66 0.00 -1.26 0.00 0.00 59.98 57.27 2kc1 h ARG 35 Cb 2.14 0.19 -0.30 0.00 -1.65 0.00 0.00 29.97 30.36 2kc1 h ARG 35 CO 0.25 1.18 -0.79 0.42 0.56 0.00 0.00 179.97 181.59 2kc1 s ILE 36 N -2.59 2.76 -0.26 2.04 -1.09 0.31 -4.99 121.20 117.38 2kc1 s ILE 36 Ca -0.13 -0.74 0.28 0.00 -2.23 0.00 0.00 60.65 57.83 2kc1 s ILE 36 Cb 0.06 -2.17 0.32 0.00 -1.58 0.00 0.00 42.46 39.09 2kc1 s ILE 36 CO 0.85 0.51 1.82 1.55 -1.23 0.00 0.00 174.94 178.44 2kc1 h PRO 37 N 7.21 0.00 0.00 2.79 0.13 -1.79 -3.02 132.00 137.32 2kc1 h PRO 37 Ca -0.31 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.73 2kc1 h PRO 37 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kc1 h PRO 37 CO 0.57 0.00 -0.44 0.93 -0.23 0.00 0.00 178.00 178.83 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 5.08 -1.89 -1.72 114.58 116.91 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 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kc1 h GLU 38 CO 0.00 0.44 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 2kc1 n ALA 39 N -2.35 2.48 1.44 3.43 0.00 -1.14 -3.31 120.51 121.05 2kc1 n ALA 39 Ca -0.01 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.41 2kc1 n ALA 39 Cb 0.52 -1.48 0.49 0.00 0.00 0.00 0.00 19.45 18.98 2kc1 n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kc1 n LEU 40 N -1.24 1.47 0.00 0.00 4.77 -0.64 -3.80 117.00 117.55 2kc1 n LEU 40 Ca 0.15 -0.54 0.12 0.00 -0.03 0.00 0.00 56.01 55.72 2kc1 n LEU 40 Cb 0.21 -0.04 0.58 0.00 -2.33 0.00 0.00 43.42 41.85 2kc1 n LEU 40 CO 0.22 0.27 0.91 0.00 -1.33 0.00 0.00 177.39 177.45 2kc1 n ALA 41 N 0.16 2.21 -3.24 -1.18 0.00 -1.21 -4.82 120.51 112.43 2kc1 n ALA 41 Ca 0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 2kc1 n ALA 41 Cb 0.33 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.77 -0.43 0.48 0.00 0.00 -1.25 -5.16 107.32 98.19 2kc1 s GLY 42 Ca 0.18 0.38 -0.22 0.00 0.00 0.00 0.00 44.72 45.06 2kc1 s GLY 42 CO 0.42 0.08 1.14 -4.14 0.00 0.00 0.00 173.10 170.60 2kc1 s PRO 43 N -3.18 3.69 0.53 2.90 0.02 -1.26 -4.90 135.00 132.80 2kc1 s PRO 43 Ca -0.01 1.70 0.33 0.00 0.02 0.00 0.00 61.00 63.04 2kc1 s PRO 43 Cb 0.00 -2.31 1.34 0.00 0.02 0.00 0.00 34.50 33.56 2kc1 s PRO 43 CO -0.08 -0.59 1.97 -1.00 -0.33 0.00 0.00 177.00 176.97 2kc1 h PRO 44 N 1.86 0.00 0.00 5.54 0.13 -1.90 -0.45 132.00 137.18 2kc1 h PRO 44 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2kc1 h PRO 44 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2kc1 h PRO 44 CO 0.59 0.00 -1.14 -2.95 -0.23 0.00 0.00 178.00 174.28 2kc1 h ASN 45 N 0.00 0.00 1.17 1.44 -1.07 -2.01 -3.27 115.58 111.84 2kc1 h ASN 45 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 2kc1 h ASN 45 Cb 0.50 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.73 2kc1 h ASN 45 CO 0.00 0.46 -0.73 -0.78 0.07 0.00 0.00 177.43 176.45 2kc1 h ASP 46 N 0.00 0.00 -4.20 6.14 3.58 -1.70 -3.45 116.42 116.79 2kc1 h ASP 46 Ca -0.10 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 2kc1 h ASP 46 Cb 1.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2kc1 h ASP 46 CO 0.04 0.73 -0.01 0.49 -2.88 0.00 0.00 179.24 177.62 2kc1 n PHE 47 N -3.34 -2.97 -3.82 0.28 3.01 -0.27 -2.68 117.46 107.67 2kc1 n PHE 47 Ca 0.01 -0.24 0.02 0.00 1.01 0.00 0.00 57.45 58.25 2kc1 n PHE 47 Cb 0.81 -0.07 0.01 0.00 -0.01 0.00 0.00 39.48 40.22 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 -2.35 -0.26 -0.24 1.37 0.00 0.61 -4.59 107.32 101.86 2kc1 s GLY 48 Ca 0.07 0.35 -0.12 0.00 0.00 0.00 0.00 44.72 45.02 2kc1 s GLY 48 CO 0.05 3.19 0.23 1.08 0.00 0.00 0.00 173.10 177.65 2kc1 s LEU 49 N -3.44 4.11 -0.24 0.66 1.43 -1.26 -1.76 118.68 118.17 2kc1 s LEU 49 Ca 0.23 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2kc1 s LEU 49 Cb 0.02 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 44.07 2kc1 s LEU 49 CO -0.02 0.01 -0.12 0.12 0.23 0.00 0.00 176.35 176.57 2kc1 s PHE 50 N 1.22 3.12 -0.36 0.29 5.36 -0.07 -1.35 117.98 126.18 2kc1 s PHE 50 Ca 0.11 -2.03 -0.28 0.00 -0.96 0.00 0.00 56.93 53.77 2kc1 s PHE 50 Cb -0.14 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.57 2kc1 s PHE 50 CO 0.06 -0.84 1.72 -1.17 -1.46 0.00 0.00 175.22 173.53 2kc1 s LEU 51 N 1.19 3.51 0.21 6.12 0.20 0.81 0.37 118.68 131.09 2kc1 s LEU 51 Ca -0.04 1.15 -0.30 0.00 0.69 0.00 0.00 54.13 55.63 2kc1 s LEU 51 Cb -0.18 -3.47 -0.08 0.00 -0.43 0.00 0.00 46.19 42.03 2kc1 s LEU 51 CO -0.07 -1.68 1.09 -0.44 -0.29 0.00 0.00 176.35 174.96 2kc1 s SER 52 N 5.71 7.29 0.10 3.68 0.01 -0.72 -2.76 113.70 127.02 2kc1 s SER 52 Ca 0.75 2.13 0.01 0.00 1.31 0.00 0.00 55.95 60.15 2kc1 s SER 52 Cb -0.20 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 2kc1 s SER 52 CO 0.33 -0.17 0.02 -0.67 0.41 0.00 0.00 173.24 173.16 2kc1 n ASP 53 N 1.97 1.38 0.17 2.44 2.03 -1.26 -4.75 116.55 118.54 2kc1 n ASP 53 Ca 0.01 -1.51 0.09 0.00 0.52 0.00 0.00 54.79 53.91 2kc1 n ASP 53 Cb 0.46 0.19 0.09 0.00 -0.72 0.00 0.00 41.12 41.15 2kc1 n ASP 53 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kc1 h ASP 54 N 0.35 0.00 -3.32 1.67 3.32 -1.96 -3.43 116.42 113.04 2kc1 h ASP 54 Ca -0.08 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.32 2kc1 h ASP 54 Cb 0.29 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.58 2kc1 h ASP 54 CO 0.13 0.14 -0.73 -0.62 -1.72 0.00 0.00 179.24 176.44 2kc1 s ASP 55 N -6.09 4.24 0.52 6.45 -1.08 -1.26 -5.02 116.67 114.44 2kc1 s ASP 55 Ca 0.04 -0.29 0.17 0.00 -0.52 0.00 0.00 52.55 51.96 2kc1 s ASP 55 Cb 0.07 -1.67 1.31 0.00 -1.46 0.00 0.00 42.92 41.16 2kc1 s ASP 55 CO 0.72 0.13 2.15 1.55 0.52 0.00 0.00 175.17 180.24 2kc1 h PRO 56 N 6.95 0.00 0.00 4.34 0.13 -1.96 -1.87 132.00 139.59 2kc1 h PRO 56 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2kc1 h PRO 56 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kc1 h PRO 56 CO 0.58 0.01 -0.93 1.63 -0.23 0.00 0.00 178.00 179.07 2kc1 n LYS 57 N -4.44 0.35 0.09 0.86 5.02 -1.26 -3.42 118.16 115.36 2kc1 n LYS 57 Ca -0.03 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 2kc1 n LYS 57 Cb 0.10 -1.66 0.28 0.00 -0.02 0.00 0.00 35.03 33.74 2kc1 n LYS 57 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kc1 h LYS 58 N 0.00 0.00 -7.16 1.97 1.79 -1.77 -3.45 116.57 107.95 2kc1 h LYS 58 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2kc1 h LYS 58 Cb 0.78 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.49 2kc1 h LYS 58 CO 0.00 0.00 0.38 0.20 -1.08 0.00 0.00 179.45 178.95 2kc1 s GLY 59 N -3.65 2.24 0.08 3.86 0.00 -0.96 -4.89 107.32 104.01 2kc1 s GLY 59 Ca 0.08 0.48 0.07 0.00 0.00 0.00 0.00 44.72 45.35 2kc1 s GLY 59 CO 0.66 0.80 -0.18 -0.26 0.00 0.00 0.00 173.10 174.12 2kc1 s ILE 60 N -2.30 1.42 -0.21 0.90 -4.36 -1.11 -4.94 121.20 110.59 2kc1 s ILE 60 Ca 0.65 -1.37 -0.21 0.00 -0.26 0.00 0.00 60.65 59.46 2kc1 s ILE 60 Cb -0.17 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 2kc1 s ILE 60 CO 0.33 -0.09 0.64 0.26 0.24 0.00 0.00 174.94 176.32 2kc1 s TRP 61 N -1.14 3.35 0.16 1.37 0.52 -1.26 -0.13 118.94 121.80 2kc1 s TRP 61 Ca 0.03 0.91 -0.30 0.00 0.02 0.00 0.00 56.10 56.76 2kc1 s TRP 61 Cb -0.10 -2.82 -0.07 0.00 -1.15 0.00 0.00 33.47 29.33 2kc1 s TRP 61 CO 0.03 -0.22 1.11 -0.51 0.02 0.00 0.00 176.95 177.38 2kc1 s LEU 62 N 2.11 4.47 0.02 2.99 1.02 -0.46 -4.98 118.68 123.84 2kc1 s LEU 62 Ca 0.28 2.07 -0.30 0.00 0.02 0.00 0.00 54.13 56.20 2kc1 s LEU 62 Cb -0.16 -3.60 -0.06 0.00 0.02 0.00 0.00 46.19 42.39 2kc1 s LEU 62 CO 0.10 -0.26 1.42 -1.61 0.02 0.00 0.00 176.35 176.02 2kc1 s GLU 63 N -0.13 4.28 0.41 1.70 2.02 -1.26 -4.72 118.70 121.00 2kc1 s GLU 63 Ca 0.51 2.01 0.11 0.00 0.02 0.00 0.00 54.97 57.62 2kc1 s GLU 63 Cb -0.29 -3.55 0.93 0.00 0.10 0.00 0.00 34.13 31.32 2kc1 s GLU 63 CO 0.34 -0.58 1.98 0.00 0.02 0.00 0.00 175.26 177.02 2kc1 h ALA 64 N 7.80 1.90 -0.00 5.21 0.00 -1.93 -0.31 119.26 131.92 2kc1 h ALA 64 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kc1 h ALA 64 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2kc1 h ALA 64 CO 0.90 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2kc1 n GLY 65 N -1.49 -0.94 3.69 0.00 0.00 -1.26 -3.17 105.19 102.02 2kc1 n GLY 65 Ca 0.09 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.99 2.52 0.52 1.61 -0.14 -0.13 -4.96 119.74 117.16 2kc1 s LYS 66 Ca 0.38 -1.01 -0.02 0.00 -1.36 0.00 0.00 55.97 53.95 2kc1 s LYS 66 Cb 0.17 -2.44 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 2kc1 s LYS 66 CO 0.29 0.48 0.78 0.00 -0.76 0.00 0.00 175.35 176.14 2kc1 s ALA 67 N -1.64 3.56 0.26 5.17 0.00 -1.26 -0.26 121.76 127.59 2kc1 s ALA 67 Ca 0.28 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2kc1 s ALA 67 Cb -0.10 -2.34 0.35 0.00 0.00 0.00 0.00 23.12 21.03 2kc1 s ALA 67 CO 0.19 -0.59 1.66 -0.07 0.00 0.00 0.00 175.76 176.95 2kc1 h LEU 68 N 0.12 0.43 -1.87 0.00 3.38 -0.71 -2.58 115.31 114.08 2kc1 h LEU 68 Ca -0.46 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 2kc1 h LEU 68 Cb 1.26 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2kc1 h LEU 68 CO 0.58 0.78 -0.10 -0.78 0.09 0.00 0.00 178.44 179.01 2kc1 h ASP 69 N 0.34 0.00 -0.42 -0.43 3.58 -1.74 -2.07 116.42 115.68 2kc1 h ASP 69 Ca 0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kc1 h ASP 69 Cb 0.84 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 2kc1 h ASP 69 CO 0.07 0.10 0.26 0.22 -2.88 0.00 0.00 179.24 177.02 2kc1 h TYR 70 N 0.00 0.56 -0.02 0.28 5.03 -1.74 -2.33 116.97 118.76 2kc1 h TYR 70 Ca -0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2kc1 h TYR 70 Cb 0.37 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2kc1 h TYR 70 CO 0.00 0.38 -0.22 0.66 -1.32 0.00 0.00 178.16 177.66 2kc1 n TYR 71 N -4.44 0.00 -3.46 -3.82 4.02 -0.78 -4.96 117.16 103.72 2kc1 n TYR 71 Ca 0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.75 2kc1 n TYR 71 Cb 0.08 -0.04 0.08 0.00 -0.02 0.00 0.00 39.34 39.44 2kc1 n TYR 71 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kc1 n MET 72 N 0.04 -6.47 -2.54 -0.72 2.81 -0.88 -4.97 117.12 104.40 2kc1 n MET 72 Ca 0.13 0.83 -0.39 0.00 -1.81 0.00 0.00 57.70 56.45 2kc1 n MET 72 Cb 0.43 -5.80 -0.05 0.00 -0.71 0.00 0.00 33.22 27.09 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 -6.39 4.48 0.37 4.03 1.43 -1.22 -5.05 118.68 116.33 2kc1 s LEU 73 Ca 0.00 2.16 0.05 0.00 -1.03 0.00 0.00 54.13 55.31 2kc1 s LEU 73 Cb -0.00 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 2kc1 s LEU 73 CO 0.74 -0.17 0.04 -0.13 0.23 0.00 0.00 176.35 177.06 2kc1 s ARG 74 N -1.64 1.81 0.13 1.70 0.52 -1.26 -4.92 118.95 115.28 2kc1 s ARG 74 Ca 0.47 -2.03 -0.31 0.00 -0.52 0.00 0.00 55.73 53.34 2kc1 s ARG 74 Cb -0.29 -1.18 -0.09 0.00 0.52 0.00 0.00 34.95 33.91 2kc1 s ARG 74 CO 0.36 -0.16 1.52 0.54 0.02 0.00 0.00 175.30 177.59 2kc1 s ASN 75 N -3.60 6.67 0.00 0.23 2.20 -1.25 -2.39 114.94 116.80 2kc1 s ASN 75 Ca 0.34 2.49 0.00 0.00 -0.94 0.00 0.00 52.86 54.75 2kc1 s ASN 75 Cb 0.09 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.75 2kc1 s ASN 75 CO 0.16 -0.78 0.00 0.61 -2.94 0.00 0.00 177.10 174.15 2kc1 n GLY 76 N 3.71 0.11 3.77 0.45 0.00 0.16 -4.98 105.19 108.42 2kc1 n GLY 76 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.10 6.81 -0.19 1.61 1.01 -1.01 -4.74 116.67 118.05 2kc1 s ASP 77 Ca 0.00 2.22 -0.06 0.00 0.71 0.00 0.00 52.55 55.42 2kc1 s ASP 77 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2kc1 s ASP 77 CO 0.00 -0.47 0.03 -0.89 0.21 0.00 0.00 175.17 174.06 2kc1 s THR 78 N -1.43 4.38 -0.05 -1.27 2.01 -1.26 -0.47 115.64 117.55 2kc1 s THR 78 Ca 0.54 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.39 2kc1 s THR 78 Cb -0.28 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.26 2kc1 s THR 78 CO 0.35 0.44 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.30 2kc1 s MET 79 N 0.69 1.45 -0.50 4.92 1.75 0.41 -1.75 119.30 126.27 2kc1 s MET 79 Ca 0.02 -0.36 -0.19 0.00 -1.25 0.00 0.00 55.69 53.91 2kc1 s MET 79 Cb -0.14 -1.24 0.05 0.00 2.84 0.00 0.00 34.83 36.34 2kc1 s MET 79 CO 0.02 0.03 0.63 -1.21 -0.65 0.00 0.00 175.02 173.84 2kc1 s GLU 80 N 0.60 3.15 -0.59 4.11 2.02 0.16 -1.09 118.70 127.06 2kc1 s GLU 80 Ca -0.12 -0.80 -0.28 0.00 0.02 0.00 0.00 54.97 53.79 2kc1 s GLU 80 Cb -0.14 -4.07 0.01 0.00 0.10 0.00 0.00 34.13 30.03 2kc1 s GLU 80 CO 0.03 -1.19 1.40 -0.47 0.02 0.00 0.00 175.26 175.05 2kc1 s TYR 81 N 2.67 2.28 0.23 1.61 5.04 -1.08 -0.90 117.35 127.20 2kc1 s TYR 81 Ca 0.16 0.42 -0.04 0.00 -2.44 0.00 0.00 57.07 55.17 2kc1 s TYR 81 Cb -0.18 -4.42 -0.03 0.00 0.35 0.00 0.00 41.96 37.69 2kc1 s TYR 81 CO 0.13 -1.98 0.26 -0.98 -1.34 0.00 0.00 175.55 171.65 2kc1 s ARG 82 N 5.57 1.38 -0.08 4.97 1.70 -0.72 -4.07 118.95 127.69 2kc1 s ARG 82 Ca 0.50 -1.55 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 2kc1 s ARG 82 Cb -0.10 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 2kc1 s ARG 82 CO 0.24 -0.50 1.05 0.21 -1.08 0.00 0.00 175.30 175.21 2kc1 s LYS 83 N -4.01 4.42 0.25 3.89 2.20 -1.26 -0.28 119.74 124.94 2kc1 s LYS 83 Ca 0.34 1.46 -0.21 0.00 -0.36 0.00 0.00 55.97 57.19 2kc1 s LYS 83 Cb 0.04 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 2kc1 s LYS 83 CO 0.12 -0.32 0.78 -1.59 -0.36 0.00 0.00 175.35 173.99 2kc1 s LYS 84 N 1.94 4.34 0.00 4.03 -2.85 -1.09 -4.90 119.74 121.21 2kc1 s LYS 84 Ca 0.50 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 56.46 2kc1 s LYS 84 Cb -0.20 -2.87 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 2kc1 s LYS 84 CO 0.20 0.37 0.00 0.00 0.10 0.00 0.00 175.35 176.02