#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 4.88 -0.23 -0.61 -4.36 -1.26 -5.04 121.20 114.59 2kc1 s ILE -4 Ca 0.00 0.49 -0.29 0.00 -0.26 0.00 0.00 60.65 60.59 2kc1 s ILE -4 Cb 0.00 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.05 2kc1 s ILE -4 CO 0.00 -0.23 1.14 -0.62 0.24 0.00 0.00 174.94 175.47 2kc1 s ASP -3 N -2.68 6.99 -0.18 4.36 2.15 -1.26 -4.97 116.67 121.08 2kc1 s ASP -3 Ca 0.49 1.43 -0.29 0.00 0.43 0.00 0.00 52.55 54.60 2kc1 s ASP -3 Cb -0.11 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 2kc1 s ASP -3 CO 0.24 -0.76 1.76 -2.84 -0.17 0.00 0.00 175.17 173.40 2kc1 s PRO -2 N 3.44 3.75 0.05 4.34 0.02 -1.26 -4.98 135.00 140.36 2kc1 s PRO -2 Ca 0.49 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 2kc1 s PRO -2 Cb -0.17 -4.10 -0.05 0.00 0.02 0.00 0.00 34.50 30.20 2kc1 s PRO -2 CO 0.12 -1.37 0.93 -0.59 -0.33 0.00 0.00 177.00 175.76 2kc1 s PHE -1 N 5.56 3.73 -0.21 6.54 -0.71 -1.26 -4.99 117.98 126.64 2kc1 s PHE -1 Ca 0.78 1.69 -0.29 0.00 -1.04 0.00 0.00 56.93 58.07 2kc1 s PHE -1 Cb -0.29 -3.03 -0.03 0.00 -1.21 0.00 0.00 43.02 38.46 2kc1 s PHE -1 CO 0.32 0.13 1.58 0.99 -1.34 0.00 0.00 175.22 176.90 2kc1 s THR 0 N 0.40 3.75 0.00 -4.49 2.01 -1.26 -4.83 115.64 111.21 2kc1 s THR 0 Ca 0.47 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.32 2kc1 s THR 0 Cb -0.22 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.56 2kc1 s THR 0 CO 0.28 -0.28 0.00 0.23 -0.69 0.00 0.00 174.62 174.16 2kc1 n MET 1 N 7.53 0.00 -2.38 4.92 2.81 -1.26 -3.67 117.12 125.06 2kc1 n MET 1 Ca 0.18 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.69 2kc1 n MET 1 Cb 0.45 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.93 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 3.70 -0.08 2.03 0.11 -1.26 -4.97 120.40 119.93 2kc1 s VAL 2 Ca 0.00 -0.28 -0.10 0.00 -2.93 0.00 0.00 61.98 58.67 2kc1 s VAL 2 Cb 0.00 -4.66 -0.05 0.00 -1.53 0.00 0.00 36.38 30.14 2kc1 s VAL 2 CO 0.00 -1.58 0.24 0.00 -3.33 0.00 0.00 175.10 170.43 2kc1 s ALA 3 N 6.77 3.81 -0.60 1.54 0.00 -1.24 -4.42 121.76 127.62 2kc1 s ALA 3 Ca 0.51 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 2kc1 s ALA 3 Cb -0.05 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 20.99 2kc1 s ALA 3 CO 0.02 0.56 1.07 -0.51 0.00 0.00 0.00 175.76 176.90 2kc1 s LEU 4 N -1.01 3.79 -0.51 0.00 1.02 0.89 -4.71 118.68 118.15 2kc1 s LEU 4 Ca 0.18 -0.30 -0.18 0.00 0.02 0.00 0.00 54.13 53.85 2kc1 s LEU 4 Cb -0.14 -2.85 0.07 0.00 0.02 0.00 0.00 46.19 43.30 2kc1 s LEU 4 CO 0.07 -1.42 0.58 -0.44 0.02 0.00 0.00 176.35 175.16 2kc1 s SER 5 N 3.11 6.20 0.15 2.29 0.01 -1.26 -0.23 113.70 123.97 2kc1 s SER 5 Ca 0.34 -1.10 0.09 0.00 1.31 0.00 0.00 55.95 56.59 2kc1 s SER 5 Cb -0.11 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2kc1 s SER 5 CO 0.19 -0.86 -0.14 -0.76 0.41 0.00 0.00 173.24 172.08 2kc1 s LEU 6 N 2.37 2.82 -0.49 2.44 1.02 0.07 -0.96 118.68 125.95 2kc1 s LEU 6 Ca 0.12 -0.59 -0.25 0.00 0.02 0.00 0.00 54.13 53.43 2kc1 s LEU 6 Cb -0.21 -1.58 0.03 0.00 0.02 0.00 0.00 46.19 44.45 2kc1 s LEU 6 CO 0.10 0.14 0.93 -0.54 0.02 0.00 0.00 176.35 176.99 2kc1 s LYS 7 N -2.51 3.47 -0.37 1.70 -0.14 0.98 -0.87 119.74 122.00 2kc1 s LYS 7 Ca 0.22 0.03 -0.18 0.00 -1.36 0.00 0.00 55.97 54.67 2kc1 s LYS 7 Cb -0.10 -3.96 0.00 0.00 -1.68 0.00 0.00 37.83 32.09 2kc1 s LYS 7 CO 0.13 -1.30 0.51 0.42 -0.76 0.00 0.00 175.35 174.35 2kc1 s ILE 8 N 3.80 5.01 -0.36 2.17 -1.09 0.94 -0.58 121.20 131.10 2kc1 s ILE 8 Ca 0.35 0.18 -0.22 0.00 -2.23 0.00 0.00 60.65 58.72 2kc1 s ILE 8 Cb -0.11 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2kc1 s ILE 8 CO 0.24 -0.29 0.73 -0.55 -1.23 0.00 0.00 174.94 173.84 2kc1 s SER 9 N 1.80 6.52 -0.46 3.58 0.15 0.35 0.05 113.70 125.69 2kc1 s SER 9 Ca 0.18 0.31 -0.05 0.00 0.70 0.00 0.00 55.95 57.08 2kc1 s SER 9 Cb -0.16 -2.37 0.12 0.00 -1.71 0.00 0.00 66.02 61.90 2kc1 s SER 9 CO 0.14 -0.68 0.29 -0.63 1.20 0.00 0.00 173.24 173.56 2kc1 s ILE 10 N 2.96 3.70 0.00 6.45 1.01 0.86 -1.25 121.20 134.93 2kc1 s ILE 10 Ca 0.29 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.88 2kc1 s ILE 10 Cb -0.14 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2kc1 s ILE 10 CO 0.16 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 174.96 2kc1 n GLY 11 N 4.58 1.71 0.00 6.18 0.00 -1.26 -1.69 105.19 114.72 2kc1 n GLY 11 Ca -0.03 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 5.80 0.55 -4.41 1.61 6.94 -1.26 -5.03 115.26 119.46 2kc1 n ASN 12 Ca 0.00 -1.26 -0.38 0.00 -0.02 0.00 0.00 54.58 52.93 2kc1 n ASN 12 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 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 -0.26 4.36 -0.29 3.53 1.01 -0.68 -5.07 120.40 123.00 2kc1 s VAL 13 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2kc1 s VAL 13 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2kc1 s VAL 13 CO 0.00 0.10 0.23 -0.69 0.00 0.00 0.00 175.10 174.74 2kc1 s VAL 14 N 1.58 5.28 -0.15 2.92 1.01 -1.26 -0.10 120.40 129.68 2kc1 s VAL 14 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2kc1 s VAL 14 Cb -0.17 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2kc1 s VAL 14 CO 0.05 0.19 -0.11 -0.75 0.00 0.00 0.00 175.10 174.47 2kc1 s LYS 15 N 1.80 3.36 -0.30 2.72 2.47 0.11 -4.88 119.74 125.02 2kc1 s LYS 15 Ca 0.08 -0.68 -0.29 0.00 -1.56 0.00 0.00 55.97 53.52 2kc1 s LYS 15 Cb -0.16 -2.72 0.00 0.00 -1.46 0.00 0.00 37.83 33.50 2kc1 s LYS 15 CO 0.11 0.10 1.28 0.99 0.16 0.00 0.00 175.35 177.98 2kc1 s THR 16 N 0.66 4.18 -0.04 3.43 2.01 -1.26 -0.04 115.64 124.57 2kc1 s THR 16 Ca -0.06 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.34 2kc1 s THR 16 Cb -0.15 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2kc1 s THR 16 CO 0.02 -0.48 -0.25 -0.04 -0.69 0.00 0.00 174.62 173.18 2kc1 s MET 17 N 4.12 2.29 -0.33 4.92 -1.94 -0.04 -4.96 119.30 123.36 2kc1 s MET 17 Ca 0.55 -0.91 -0.07 0.00 -1.71 0.00 0.00 55.69 53.55 2kc1 s MET 17 Cb -0.16 -2.10 0.03 0.00 2.01 0.00 0.00 34.83 34.61 2kc1 s MET 17 CO 0.22 0.50 0.10 -0.65 -0.01 0.00 0.00 175.02 175.18 2kc1 s GLN 18 N -0.45 2.77 0.52 2.03 -0.21 -1.26 -0.75 119.66 122.32 2kc1 s GLN 18 Ca 0.05 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.42 2kc1 s GLN 18 Cb -0.11 -3.45 0.04 0.00 1.00 0.00 0.00 33.01 30.49 2kc1 s GLN 18 CO 0.01 -0.60 0.52 -0.06 -2.12 0.00 0.00 175.29 173.04 2kc1 s PHE 19 N 1.44 1.81 0.07 0.91 0.08 0.68 -4.86 117.98 118.11 2kc1 s PHE 19 Ca -0.00 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.33 2kc1 s PHE 19 Cb -0.19 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 2kc1 s PHE 19 CO 0.03 -0.61 0.22 -1.21 -0.10 0.00 0.00 175.22 173.55 2kc1 s GLU 20 N -4.37 3.44 0.44 0.44 2.02 -1.26 -0.08 118.70 119.34 2kc1 s GLU 20 Ca 0.46 -0.45 0.12 0.00 0.02 0.00 0.00 54.97 55.12 2kc1 s GLU 20 Cb -0.04 -3.03 0.99 0.00 0.10 0.00 0.00 34.13 32.16 2kc1 s GLU 20 CO 0.28 0.60 2.02 -1.00 0.02 0.00 0.00 175.26 177.18 2kc1 h PRO 21 N 2.96 0.15 -0.09 0.39 0.13 -1.96 -1.53 132.00 132.05 2kc1 h PRO 21 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kc1 h PRO 21 Cb 1.16 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kc1 h PRO 21 CO 0.75 0.21 0.00 0.43 -0.23 0.00 0.00 178.00 179.17 2kc1 n SER 22 N -4.39 1.29 -4.71 1.44 7.64 -1.26 -2.55 113.62 111.08 2kc1 n SER 22 Ca -0.01 -1.57 -0.42 0.00 1.01 0.00 0.00 58.87 57.88 2kc1 n SER 22 Cb 0.18 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.89 3.92 0.68 0.44 2.01 -0.58 -4.88 115.64 115.35 2kc1 s THR 23 Ca 0.34 1.37 -0.14 0.00 0.31 0.00 0.00 61.69 63.57 2kc1 s THR 23 Cb 0.18 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.83 2kc1 s THR 23 CO 0.28 0.09 1.11 -0.04 -0.69 0.00 0.00 174.62 175.37 2kc1 s MET 24 N 1.28 2.68 0.21 4.92 -1.94 -1.26 -1.27 119.30 123.92 2kc1 s MET 24 Ca 0.60 1.34 -0.07 0.00 -1.71 0.00 0.00 55.69 55.85 2kc1 s MET 24 Cb -0.30 -1.94 0.17 0.00 2.01 0.00 0.00 34.83 34.77 2kc1 s MET 24 CO 0.28 -1.34 1.73 0.28 -0.01 0.00 0.00 175.02 175.97 2kc1 h VAL 25 N -0.23 1.26 0.00 -6.03 2.07 -0.03 0.38 116.25 113.67 2kc1 h VAL 25 Ca -0.46 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 2kc1 h VAL 25 Cb 1.24 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2kc1 h VAL 25 CO 0.53 0.37 -0.23 0.10 0.02 0.00 0.00 177.57 178.36 2kc1 h TYR 26 N 1.02 0.00 0.00 1.57 -0.00 -1.37 -0.91 116.97 117.28 2kc1 h TYR 26 Ca 0.21 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.77 2kc1 h TYR 26 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.08 2kc1 h TYR 26 CO 0.03 0.23 -0.95 0.22 -0.00 0.00 0.00 178.16 177.68 2kc1 h ASP 27 N 0.00 0.00 0.01 0.10 3.58 -1.51 -2.15 116.42 116.45 2kc1 h ASP 27 Ca -0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 2kc1 h ASP 27 Cb 0.61 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.67 2kc1 h ASP 27 CO 0.03 0.76 -0.49 0.00 -2.88 0.00 0.00 179.24 176.66 2kc1 h ALA 28 N 1.24 0.05 0.00 -0.78 0.00 0.23 -2.69 119.26 117.31 2kc1 h ALA 28 Ca -0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2kc1 h ALA 28 Cb 1.63 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2kc1 h ALA 28 CO 0.09 0.26 -0.25 0.00 0.00 0.00 0.00 179.25 179.35 2kc1 h ARG 30 N 0.00 0.24 -0.59 0.00 2.43 -1.33 -2.34 114.38 112.80 2kc1 h ARG 30 Ca -0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kc1 h ARG 30 Cb 0.52 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2kc1 h ARG 30 CO 0.03 0.16 0.39 0.52 -1.51 0.00 0.00 179.97 179.56 2kc1 h MET 31 N 0.25 0.78 -0.16 0.20 2.86 -1.02 -0.12 114.93 117.72 2kc1 h MET 31 Ca 0.19 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2kc1 h MET 31 Cb 0.21 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2kc1 h MET 31 CO -0.23 0.51 0.01 0.82 1.06 0.00 0.00 176.91 179.09 2kc1 h ILE 32 N 0.80 1.24 0.00 -1.22 1.08 -1.33 0.14 117.51 118.22 2kc1 h ILE 32 Ca 0.22 -0.77 -0.13 0.00 -0.39 0.00 0.00 64.86 63.79 2kc1 h ILE 32 Cb -0.09 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2kc1 h ILE 32 CO -0.05 0.23 -0.62 0.08 -0.69 0.00 0.00 178.15 177.11 2kc1 h ARG 33 N 0.03 0.00 0.19 2.37 0.11 -0.94 0.10 114.38 116.24 2kc1 h ARG 33 Ca 0.05 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.80 2kc1 h ARG 33 Cb 0.33 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.43 2kc1 h ARG 33 CO 0.01 0.62 -1.49 0.93 0.10 0.00 0.00 179.97 180.13 2kc1 h GLU 34 N 0.00 0.40 0.00 0.08 5.08 -0.99 -3.35 114.58 115.80 2kc1 h GLU 34 Ca -0.01 -0.69 -0.06 0.00 -1.00 0.00 0.00 59.36 57.60 2kc1 h GLU 34 Cb 1.11 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2kc1 h GLU 34 CO 0.08 1.31 -1.03 0.00 -1.00 0.00 0.00 179.01 178.38 2kc1 h ARG 35 N 0.11 0.00 -4.63 2.33 2.47 -0.99 -3.44 114.38 110.23 2kc1 h ARG 35 Ca -0.24 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.87 2kc1 h ARG 35 Cb 2.09 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 30.05 2kc1 h ARG 35 CO 0.22 0.13 -0.82 0.42 0.56 0.00 0.00 179.97 180.48 2kc1 s ILE 36 N -3.17 1.60 -0.22 2.04 1.01 0.36 -4.99 121.20 117.82 2kc1 s ILE 36 Ca -0.00 -0.79 0.28 0.00 0.00 0.00 0.00 60.65 60.14 2kc1 s ILE 36 Cb 0.09 -1.58 0.34 0.00 0.01 0.00 0.00 42.46 41.32 2kc1 s ILE 36 CO 0.78 0.34 1.82 1.55 0.00 0.00 0.00 174.94 179.44 2kc1 h PRO 37 N 8.02 0.00 0.00 2.79 0.13 -1.81 -3.00 132.00 138.13 2kc1 h PRO 37 Ca -0.34 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2kc1 h PRO 37 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kc1 h PRO 37 CO 0.51 0.00 -0.35 0.93 -0.23 0.00 0.00 178.00 178.85 2kc1 h GLU 38 N 0.00 0.00 0.00 0.86 4.39 -1.90 -1.59 114.58 116.34 2kc1 h GLU 38 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2kc1 h GLU 38 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2kc1 h GLU 38 CO 0.00 0.35 -0.07 0.00 -1.16 0.00 0.00 179.01 178.14 2kc1 h ALA 39 N 1.65 1.06 -0.22 3.43 0.00 -1.80 -2.66 119.26 120.72 2kc1 h ALA 39 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kc1 h ALA 39 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kc1 h ALA 39 CO 0.05 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2kc1 n LEU 40 N -3.26 1.74 0.24 0.00 4.77 -0.60 -3.21 117.00 116.68 2kc1 n LEU 40 Ca -0.01 -0.88 0.16 0.00 -0.03 0.00 0.00 56.01 55.25 2kc1 n LEU 40 Cb 0.28 -0.31 0.58 0.00 -2.33 0.00 0.00 43.42 41.64 2kc1 n LEU 40 CO 0.28 0.34 0.94 0.00 -1.33 0.00 0.00 177.39 177.62 2kc1 h ALA 41 N 3.13 1.00 -2.00 -1.18 0.00 -1.60 -3.45 119.26 115.16 2kc1 h ALA 41 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 2kc1 h ALA 41 Cb 0.57 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 2kc1 h ALA 41 CO 0.06 0.00 -0.60 0.20 0.00 0.00 0.00 179.25 178.91 2kc1 s GLY 42 N -4.04 2.11 0.16 0.00 0.00 -1.20 -5.13 107.32 99.23 2kc1 s GLY 42 Ca 0.03 -1.97 -0.30 0.00 0.00 0.00 0.00 44.72 42.48 2kc1 s GLY 42 CO 0.53 -1.81 1.17 -4.14 0.00 0.00 0.00 173.10 168.85 2kc1 s PRO 43 N -3.89 4.51 0.51 2.90 0.02 -1.26 -4.93 135.00 132.86 2kc1 s PRO 43 Ca 0.35 1.82 0.17 0.00 0.02 0.00 0.00 61.00 63.36 2kc1 s PRO 43 Cb 0.08 -3.27 1.25 0.00 0.02 0.00 0.00 34.50 32.59 2kc1 s PRO 43 CO 0.15 -0.08 2.12 -1.35 -0.33 0.00 0.00 177.00 177.51 2kc1 h PRO 44 N 5.49 0.05 -0.10 5.54 0.11 -1.91 0.51 132.00 141.68 2kc1 h PRO 44 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kc1 h PRO 44 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kc1 h PRO 44 CO 0.75 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.66 2kc1 n ASN 45 N -4.51 1.81 -0.49 -2.05 3.02 -1.26 -3.30 115.26 108.48 2kc1 n ASN 45 Ca -0.01 -1.65 0.06 0.00 -0.03 0.00 0.00 54.58 52.95 2kc1 n ASN 45 Cb 0.16 -0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.32 2kc1 n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kc1 n ASP 46 N 0.41 2.02 -4.44 6.41 8.00 0.14 -4.95 116.55 124.14 2kc1 n ASP 46 Ca 0.17 -1.51 -0.30 0.00 0.71 0.00 0.00 54.79 53.86 2kc1 n ASP 46 Cb 0.38 -0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.35 2kc1 n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kc1 s PHE 47 N -1.02 2.48 0.34 1.24 0.40 -1.00 0.51 117.98 120.93 2kc1 s PHE 47 Ca 0.14 -0.30 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 2kc1 s PHE 47 Cb 0.10 -1.38 0.01 0.00 0.51 0.00 0.00 43.02 42.26 2kc1 s PHE 47 CO 0.15 0.29 0.53 0.20 0.70 0.00 0.00 175.22 177.09 2kc1 s GLY 48 N -1.73 1.17 -0.18 4.36 0.00 -0.07 -4.84 107.32 106.03 2kc1 s GLY 48 Ca 0.15 -1.30 -0.18 0.00 0.00 0.00 0.00 44.72 43.39 2kc1 s GLY 48 CO 0.07 -0.83 0.48 1.08 0.00 0.00 0.00 173.10 173.89 2kc1 s LEU 49 N -3.18 4.18 -0.33 0.66 1.43 -1.26 -1.77 118.68 118.40 2kc1 s LEU 49 Ca 0.27 0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 2kc1 s LEU 49 Cb -0.01 -2.65 0.07 0.00 0.03 0.00 0.00 46.19 43.63 2kc1 s LEU 49 CO 0.17 -0.11 0.06 0.12 0.23 0.00 0.00 176.35 176.83 2kc1 s PHE 50 N 1.29 3.39 -0.32 0.29 5.36 -0.52 -1.15 117.98 126.33 2kc1 s PHE 50 Ca 0.23 -2.09 -0.28 0.00 -0.96 0.00 0.00 56.93 53.83 2kc1 s PHE 50 Cb -0.15 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 40.02 2kc1 s PHE 50 CO 0.09 -0.86 2.00 -1.17 -1.46 0.00 0.00 175.22 173.82 2kc1 s LEU 51 N 1.20 3.46 0.44 6.12 2.96 0.88 0.46 118.68 134.20 2kc1 s LEU 51 Ca -0.00 1.45 -0.12 0.00 -0.22 0.00 0.00 54.13 55.23 2kc1 s LEU 51 Cb -0.21 -3.39 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 2kc1 s LEU 51 CO -0.02 -1.92 0.84 -0.44 -1.32 0.00 0.00 176.35 173.49 2kc1 s SER 52 N 7.42 6.55 0.30 3.68 0.01 0.15 -2.13 113.70 129.68 2kc1 s SER 52 Ca 0.88 1.27 0.04 0.00 1.31 0.00 0.00 55.95 59.46 2kc1 s SER 52 Cb -0.25 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2kc1 s SER 52 CO 0.33 -0.46 0.21 -0.62 0.41 0.00 0.00 173.24 173.11 2kc1 s ASP 53 N -3.13 1.43 0.39 2.44 2.15 -1.26 -4.65 116.67 114.04 2kc1 s ASP 53 Ca 0.54 -1.63 0.07 0.00 0.43 0.00 0.00 52.55 51.95 2kc1 s ASP 53 Cb -0.10 0.48 0.81 0.00 -0.30 0.00 0.00 42.92 43.81 2kc1 s ASP 53 CO 0.31 -0.96 2.02 0.44 -0.17 0.00 0.00 175.17 176.81 2kc1 h ASP 54 N 2.23 0.55 -3.37 -0.34 5.19 -1.99 -3.38 116.42 115.30 2kc1 h ASP 54 Ca -0.30 -0.01 -0.65 0.00 -0.62 0.00 0.00 57.03 55.45 2kc1 h ASP 54 Cb 1.24 -0.13 -0.26 0.00 0.18 0.00 0.00 39.33 40.37 2kc1 h ASP 54 CO 0.45 0.38 -0.71 -0.62 -3.12 0.00 0.00 179.24 175.62 2kc1 s ASP 55 N -6.48 4.40 0.13 6.45 2.15 -1.26 -5.01 116.67 117.05 2kc1 s ASP 55 Ca -0.09 -0.30 0.14 0.00 0.43 0.00 0.00 52.55 52.73 2kc1 s ASP 55 Cb 0.18 -1.73 0.64 0.00 -0.30 0.00 0.00 42.92 41.71 2kc1 s ASP 55 CO 0.75 0.07 1.42 -0.81 -0.17 0.00 0.00 175.17 176.43 2kc1 n PRO 56 N 4.20 0.07 0.05 4.34 -0.04 -1.26 -1.63 135.00 140.74 2kc1 n PRO 56 Ca -0.18 0.45 -0.03 0.00 -0.04 0.00 0.00 63.50 63.69 2kc1 n PRO 56 Cb 0.52 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.00 0.00 0.54 3.64 -1.94 -3.22 116.57 115.58 2kc1 h LYS 57 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2kc1 h LYS 57 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2kc1 h LYS 57 CO 0.00 0.59 -0.26 0.87 -2.27 0.00 0.00 179.45 178.37 2kc1 h LYS 58 N 0.00 0.00 -7.02 1.90 1.57 -1.71 -3.45 116.57 107.87 2kc1 h LYS 58 Ca -0.11 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.13 2kc1 h LYS 58 Cb 1.69 0.00 0.12 0.00 0.08 0.00 0.00 32.23 34.12 2kc1 h LYS 58 CO 0.08 0.26 0.64 0.20 -0.57 0.00 0.00 179.45 180.06 2kc1 s GLY 59 N -4.31 2.90 0.12 3.86 0.00 -1.19 -4.93 107.32 103.77 2kc1 s GLY 59 Ca 0.02 1.36 0.06 0.00 0.00 0.00 0.00 44.72 46.15 2kc1 s GLY 59 CO 0.66 1.91 -0.14 -0.26 0.00 0.00 0.00 173.10 175.27 2kc1 s ILE 60 N -1.27 1.34 0.27 0.90 -4.36 -0.91 -4.95 121.20 112.22 2kc1 s ILE 60 Ca 0.66 -1.72 -0.24 0.00 -0.26 0.00 0.00 60.65 59.10 2kc1 s ILE 60 Cb -0.41 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.68 2kc1 s ILE 60 CO 0.50 -0.41 0.85 0.26 0.24 0.00 0.00 174.94 176.38 2kc1 s TRP 61 N -2.12 3.70 -0.02 1.37 0.52 -1.26 -0.08 118.94 121.04 2kc1 s TRP 61 Ca 0.09 1.63 -0.14 0.00 0.02 0.00 0.00 56.10 57.70 2kc1 s TRP 61 Cb -0.05 -2.80 -0.05 0.00 -1.15 0.00 0.00 33.47 29.42 2kc1 s TRP 61 CO 0.03 0.29 0.37 -0.51 0.02 0.00 0.00 176.95 177.15 2kc1 s LEU 62 N -1.94 4.46 -0.12 2.99 1.43 -0.30 -4.90 118.68 120.30 2kc1 s LEU 62 Ca 0.46 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 2kc1 s LEU 62 Cb -0.18 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2kc1 s LEU 62 CO 0.23 0.33 1.24 -1.61 0.23 0.00 0.00 176.35 176.77 2kc1 s GLU 63 N -1.04 4.28 0.56 1.70 2.02 -1.26 -4.70 118.70 120.26 2kc1 s GLU 63 Ca 0.22 1.66 0.25 0.00 0.02 0.00 0.00 54.97 57.13 2kc1 s GLU 63 Cb -0.16 -3.68 1.50 0.00 0.10 0.00 0.00 34.13 31.88 2kc1 s GLU 63 CO 0.12 -0.61 2.08 0.00 0.02 0.00 0.00 175.26 176.87 2kc1 h ALA 64 N 7.91 2.07 -0.11 5.21 0.00 -1.96 -0.20 119.26 132.17 2kc1 h ALA 64 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kc1 h ALA 64 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kc1 h ALA 64 CO 0.94 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2kc1 n GLY 65 N -1.51 -0.02 3.99 0.00 0.00 -1.26 -1.11 105.19 105.28 2kc1 n GLY 65 Ca 0.03 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.87 2.71 0.39 1.61 -0.14 -0.09 -4.89 119.74 117.47 2kc1 s LYS 66 Ca 0.33 -1.35 0.03 0.00 -1.36 0.00 0.00 55.97 53.62 2kc1 s LYS 66 Cb 0.17 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.64 2kc1 s LYS 66 CO 0.27 -0.33 0.58 0.00 -0.76 0.00 0.00 175.35 175.11 2kc1 s ALA 67 N -2.41 3.93 0.27 5.17 0.00 -1.26 0.30 121.76 127.76 2kc1 s ALA 67 Ca 0.54 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 51.38 2kc1 s ALA 67 Cb -0.08 -1.96 0.36 0.00 0.00 0.00 0.00 23.12 21.44 2kc1 s ALA 67 CO 0.33 -0.21 1.62 -0.07 0.00 0.00 0.00 175.76 177.43 2kc1 h LEU 68 N 0.62 0.12 -1.42 0.00 3.38 -1.28 -2.71 115.31 114.03 2kc1 h LEU 68 Ca -0.46 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 2kc1 h LEU 68 Cb 1.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2kc1 h LEU 68 CO 0.56 0.67 -0.27 -0.78 0.09 0.00 0.00 178.44 178.71 2kc1 h ASP 69 N 0.08 0.00 -0.97 -0.43 3.58 -1.76 -2.84 116.42 114.08 2kc1 h ASP 69 Ca -0.00 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.54 2kc1 h ASP 69 Cb 1.03 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.01 2kc1 h ASP 69 CO 0.08 0.27 0.62 0.22 -2.88 0.00 0.00 179.24 177.55 2kc1 h TYR 70 N 0.00 1.11 -0.02 0.28 3.20 -1.77 -0.58 116.97 119.19 2kc1 h TYR 70 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kc1 h TYR 70 Cb 0.59 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2kc1 h TYR 70 CO 0.00 0.50 -0.16 0.66 -1.64 0.00 0.00 178.16 177.52 2kc1 n TYR 71 N -4.55 0.00 -2.89 -3.82 4.01 -1.08 -5.00 117.16 103.82 2kc1 n TYR 71 Ca 0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.81 2kc1 n TYR 71 Cb 0.29 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.29 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 0.06 -2.43 -4.21 -0.72 2.81 -0.23 -5.04 117.12 107.37 2kc1 n MET 72 Ca 0.14 2.12 -0.30 0.00 -1.81 0.00 0.00 57.70 57.85 2kc1 n MET 72 Cb 0.41 -5.39 -0.09 0.00 -0.71 0.00 0.00 33.22 27.43 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 -2.52 3.17 0.31 4.03 1.43 -1.23 -5.05 118.68 118.83 2kc1 s LEU 73 Ca 0.24 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2kc1 s LEU 73 Cb -0.06 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 2kc1 s LEU 73 CO 0.77 0.18 0.27 -0.13 0.23 0.00 0.00 176.35 177.67 2kc1 s ARG 74 N -2.19 1.69 -0.11 1.70 0.52 -1.26 -4.91 118.95 114.39 2kc1 s ARG 74 Ca 0.22 -1.95 -0.29 0.00 -0.52 0.00 0.00 55.73 53.19 2kc1 s ARG 74 Cb -0.11 0.32 -0.06 0.00 0.52 0.00 0.00 34.95 35.62 2kc1 s ARG 74 CO 0.15 -0.62 1.99 1.21 0.02 0.00 0.00 175.30 178.05 2kc1 s ASN 75 N -3.34 6.05 0.00 0.23 3.84 -1.25 -2.47 114.94 118.01 2kc1 s ASN 75 Ca 0.40 2.15 0.00 0.00 0.21 0.00 0.00 52.86 55.63 2kc1 s ASN 75 Cb 0.03 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 2kc1 s ASN 75 CO 0.25 -1.44 0.00 0.61 -2.79 0.00 0.00 177.10 173.73 2kc1 n GLY 76 N 5.03 2.08 3.71 1.21 0.00 -0.13 -4.96 105.19 112.13 2kc1 n GLY 76 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.86 3.63 -0.08 1.61 1.01 -1.03 -4.70 116.67 115.25 2kc1 s ASP 77 Ca 0.00 1.90 0.03 0.00 0.71 0.00 0.00 52.55 55.18 2kc1 s ASP 77 Cb 0.00 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.46 2kc1 s ASP 77 CO 0.00 -2.60 -0.16 -0.89 0.21 0.00 0.00 175.17 171.73 2kc1 s THR 78 N -2.80 1.43 -0.04 -1.27 2.01 -1.26 -0.02 115.64 113.70 2kc1 s THR 78 Ca 0.64 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 62.01 2kc1 s THR 78 Cb -0.20 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.04 2kc1 s THR 78 CO 0.57 0.42 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.80 2kc1 s MET 79 N 0.63 1.04 -0.49 4.92 -1.94 0.25 -0.68 119.30 123.04 2kc1 s MET 79 Ca -0.14 -0.26 -0.17 0.00 -1.71 0.00 0.00 55.69 53.41 2kc1 s MET 79 Cb -0.16 -0.96 0.07 0.00 2.01 0.00 0.00 34.83 35.79 2kc1 s MET 79 CO 0.04 0.04 0.48 -2.00 -0.01 0.00 0.00 175.02 173.57 2kc1 s GLU 80 N 0.48 3.02 -0.59 2.03 2.12 0.17 -0.50 118.70 125.44 2kc1 s GLU 80 Ca -0.08 -1.23 -0.28 0.00 0.36 0.00 0.00 54.97 53.75 2kc1 s GLU 80 Cb -0.11 -4.13 0.01 0.00 0.26 0.00 0.00 34.13 30.15 2kc1 s GLU 80 CO 0.01 -1.11 1.46 -0.47 -0.54 0.00 0.00 175.26 174.61 2kc1 s TYR 81 N 1.96 2.19 0.25 5.30 5.04 -0.38 -1.43 117.35 130.28 2kc1 s TYR 81 Ca 0.07 0.43 0.01 0.00 -2.44 0.00 0.00 57.07 55.15 2kc1 s TYR 81 Cb -0.23 -4.39 -0.04 0.00 0.35 0.00 0.00 41.96 37.65 2kc1 s TYR 81 CO 0.08 -2.06 0.15 -0.98 -1.34 0.00 0.00 175.55 171.40 2kc1 s ARG 82 N 5.75 1.40 0.12 4.97 1.70 -0.73 -4.38 118.95 127.78 2kc1 s ARG 82 Ca 0.52 -1.77 -0.30 0.00 -0.47 0.00 0.00 55.73 53.71 2kc1 s ARG 82 Cb -0.11 0.08 -0.07 0.00 -0.57 0.00 0.00 34.95 34.29 2kc1 s ARG 82 CO 0.23 -0.42 1.21 0.21 -1.08 0.00 0.00 175.30 175.46 2kc1 s LYS 83 N -3.97 4.45 0.73 3.89 2.20 -1.26 -0.89 119.74 124.89 2kc1 s LYS 83 Ca 0.38 1.84 -0.11 0.00 -0.36 0.00 0.00 55.97 57.72 2kc1 s LYS 83 Cb 0.06 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 2kc1 s LYS 83 CO 0.15 -0.19 1.08 0.15 -0.36 0.00 0.00 175.35 176.18 2kc1 s LYS 84 N 0.47 2.62 0.00 4.03 1.02 0.18 -4.88 119.74 123.19 2kc1 s LYS 84 Ca 0.56 0.71 0.16 0.00 0.02 0.00 0.00 55.97 57.42 2kc1 s LYS 84 Cb -0.31 -1.97 0.13 0.00 -0.52 0.00 0.00 37.83 35.15 2kc1 s LYS 84 CO 0.33 -1.26 1.01 0.94 -0.92 0.00 0.00 175.35 175.45