#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfh s VAL 2 N 0.00 4.92 0.03 9.51 1.01 -1.26 -0.28 120.40 134.33 1kfh s VAL 2 Ca 0.00 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 1kfh s VAL 2 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1kfh s VAL 2 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 175.10 175.20 1kfh s HIS 4 N -2.39 2.77 -0.13 0.00 3.76 -1.26 -0.16 115.29 117.89 1kfh s HIS 4 Ca -0.07 0.85 -0.02 0.00 -0.15 0.00 0.00 55.06 55.67 1kfh s HIS 4 Cb -0.03 -3.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.02 1kfh s HIS 4 CO -0.04 -2.23 -0.05 -0.08 -0.85 0.00 0.00 174.74 171.49 1kfh s THR 5 N 2.99 3.78 -1.05 1.30 -1.32 0.85 -2.13 115.64 120.07 1kfh s THR 5 Ca 0.61 -0.41 0.27 0.00 -1.21 0.00 0.00 61.69 60.95 1kfh s THR 5 Cb -0.27 -2.62 0.26 0.00 -1.51 0.00 0.00 72.50 68.35 1kfh s THR 5 CO 0.22 0.53 1.89 0.35 -2.21 0.00 0.00 174.62 175.40 1kfh n THR 6 N 3.15 0.11 0.46 5.08 -2.24 0.47 -1.93 114.28 119.38 1kfh n THR 6 Ca -0.18 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.70 1kfh n THR 6 Cb 0.53 -0.56 0.29 0.00 -2.10 0.00 0.00 70.33 68.49 1kfh n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfh n ALA 7 N -1.48 1.61 -2.45 6.98 0.00 -1.26 -4.69 120.51 119.22 1kfh n ALA 7 Ca 0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 1kfh n ALA 7 Cb 0.31 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 1kfh n ALA 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kfh s THR 8 N -3.01 2.71 -0.27 0.00 -4.23 -1.26 -5.09 115.64 104.49 1kfh s THR 8 Ca 0.06 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1kfh s THR 8 Cb 0.09 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.81 1kfh s THR 8 CO 0.24 0.28 -0.04 -0.55 -0.54 0.00 0.00 174.62 174.01 1kfh s SER 9 N -1.59 4.60 0.66 3.99 0.15 -1.26 -1.77 113.70 118.49 1kfh s SER 9 Ca 0.15 -1.15 -0.12 0.00 0.70 0.00 0.00 55.95 55.52 1kfh s SER 9 Cb -0.10 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.53 1kfh s SER 9 CO 0.06 -0.20 1.06 -2.16 1.20 0.00 0.00 173.24 173.19 1kfh s PRO 10 N 1.25 3.07 -0.05 5.44 0.04 -1.26 -5.09 135.00 138.41 1kfh s PRO 10 Ca -0.04 1.03 -0.37 0.00 0.04 0.00 0.00 61.00 61.66 1kfh s PRO 10 Cb -0.19 -2.01 -0.15 0.00 0.04 0.00 0.00 34.50 32.19 1kfh s PRO 10 CO -0.03 -1.00 1.58 -0.89 0.04 0.00 0.00 177.00 176.70 1kfh n ILE 11 N -2.76 0.18 -4.11 0.56 5.41 -0.73 -4.97 119.36 112.94 1kfh n ILE 11 Ca 0.08 -0.03 -0.14 0.00 1.00 0.00 0.00 62.75 63.66 1kfh n ILE 11 Cb 0.53 -1.18 -0.11 0.00 -0.71 0.00 0.00 39.64 38.17 1kfh n ILE 11 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1kfh s SER 12 N 2.02 1.11 -0.61 4.38 1.04 -0.81 -4.93 113.70 115.90 1kfh s SER 12 Ca 0.89 -0.66 -0.23 0.00 0.48 0.00 0.00 55.95 56.43 1kfh s SER 12 Cb -0.93 0.03 0.06 0.00 0.10 0.00 0.00 66.02 65.28 1kfh s SER 12 CO 0.53 -0.23 0.94 0.00 0.98 0.00 0.00 173.24 175.45 1kfh s ALA 13 N -1.83 3.14 0.03 5.32 0.00 -1.26 -0.10 121.76 127.05 1kfh s ALA 13 Ca -0.03 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.35 1kfh s ALA 13 Cb -0.07 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1kfh s ALA 13 CO -0.00 -2.59 -0.02 0.14 0.00 0.00 0.00 175.76 173.29 1kfh s VAL 14 N 3.95 3.96 -0.45 0.00 -7.23 0.78 -4.77 120.40 116.65 1kfh s VAL 14 Ca 0.25 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 1kfh s VAL 14 Cb -0.15 -2.79 0.02 0.00 0.56 0.00 0.00 36.38 34.02 1kfh s VAL 14 CO 0.14 0.31 1.25 0.42 -0.31 0.00 0.00 175.10 176.90 1kfh s THR 15 N -1.13 4.09 -0.17 5.32 -4.23 -1.26 -0.40 115.64 117.87 1kfh s THR 15 Ca 0.21 1.12 -0.19 0.00 -1.18 0.00 0.00 61.69 61.64 1kfh s THR 15 Cb -0.11 -4.44 -0.03 0.00 1.34 0.00 0.00 72.50 69.25 1kfh s THR 15 CO 0.12 -0.89 0.56 0.00 -0.54 0.00 0.00 174.62 173.86 1kfh n PRO 17 N 4.49 0.65 -1.64 0.00 -0.02 -1.26 -4.03 135.00 133.18 1kfh n PRO 17 Ca -0.04 0.28 -0.46 0.00 -2.02 0.00 0.00 63.50 61.25 1kfh n PRO 17 Cb 0.51 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1kfh n PRO 17 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1kfh n PRO 18 N -1.71 1.77 0.00 0.52 -0.02 -1.26 -1.79 135.00 132.52 1kfh n PRO 18 Ca 0.14 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1kfh n PRO 18 Cb 0.49 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1kfh n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfh n GLY 19 N 2.28 0.62 2.52 -1.23 0.00 -1.26 -4.98 105.19 103.14 1kfh n GLY 19 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1kfh n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kfh n GLU 20 N -1.67 1.09 0.02 1.61 4.71 -0.74 -1.28 120.64 124.39 1kfh n GLU 20 Ca 0.00 -3.26 0.11 0.00 -0.01 0.00 0.00 57.16 54.00 1kfh n GLU 20 Cb 0.00 -1.36 0.04 0.00 -1.01 0.00 0.00 31.44 29.11 1kfh n GLU 20 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1kfh n ASN 21 N 0.04 0.63 -4.55 1.62 4.13 -1.02 -4.18 115.26 111.92 1kfh n ASN 21 Ca 0.14 -0.24 -0.34 0.00 1.68 0.00 0.00 54.58 55.82 1kfh n ASN 21 Cb 0.77 0.74 -0.12 0.00 -1.54 0.00 0.00 39.78 39.63 1kfh n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1kfh s LEU 22 N -3.82 3.19 -0.04 3.41 1.43 1.00 -4.54 118.68 119.31 1kfh s LEU 22 Ca 0.05 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 1kfh s LEU 22 Cb 0.15 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 1kfh s LEU 22 CO 0.79 0.29 0.50 0.00 0.23 0.00 0.00 176.35 178.16 1kfh s TYR 24 N -0.18 1.10 -0.38 0.00 -0.85 0.23 -0.41 117.35 116.86 1kfh s TYR 24 Ca 0.27 -0.44 -0.01 0.00 -0.52 0.00 0.00 57.07 56.36 1kfh s TYR 24 Cb -0.17 -0.63 0.10 0.00 0.38 0.00 0.00 41.96 41.65 1kfh s TYR 24 CO 0.13 0.03 0.15 0.50 -1.52 0.00 0.00 175.55 174.84 1kfh s ARG 25 N -1.58 1.92 -0.94 -3.49 3.52 -0.16 -1.87 118.95 116.34 1kfh s ARG 25 Ca -0.03 -1.78 -0.16 0.00 -0.13 0.00 0.00 55.73 53.63 1kfh s ARG 25 Cb -0.10 -3.46 0.18 0.00 -1.56 0.00 0.00 34.95 30.01 1kfh s ARG 25 CO 0.02 -1.00 1.03 0.21 -0.81 0.00 0.00 175.30 174.75 1kfh s LYS 26 N 1.10 3.71 -0.23 5.12 2.20 0.24 -1.28 119.74 130.59 1kfh s LYS 26 Ca 0.08 -2.22 0.01 0.00 -0.36 0.00 0.00 55.97 53.47 1kfh s LYS 26 Cb -0.22 -4.73 0.03 0.00 -1.51 0.00 0.00 37.83 31.41 1kfh s LYS 26 CO -0.05 -1.56 -0.12 0.00 -0.36 0.00 0.00 175.35 173.26 1kfh s MET 27 N 1.34 2.71 0.00 4.03 0.23 -1.08 0.15 119.30 126.68 1kfh s MET 27 Ca 0.28 -1.04 0.05 0.00 -1.03 0.00 0.00 55.69 53.96 1kfh s MET 27 Cb -0.07 -2.82 -0.02 0.00 -1.53 0.00 0.00 34.83 30.40 1kfh s MET 27 CO -0.08 -0.39 -0.17 1.67 -2.03 0.00 0.00 175.02 174.02 1kfh s TRP 28 N 1.25 1.50 -0.31 3.16 -2.14 -0.34 0.18 118.94 122.23 1kfh s TRP 28 Ca -0.01 -0.30 -0.29 0.00 2.66 0.00 0.00 56.10 58.16 1kfh s TRP 28 Cb -0.16 -0.95 0.00 0.00 -3.10 0.00 0.00 33.47 29.26 1kfh s TRP 28 CO -0.07 -0.00 1.29 0.00 -2.66 0.00 0.00 176.95 175.51 1kfh n ASP 30 N 7.67 0.00 -4.22 0.00 5.68 -1.25 -4.83 116.55 119.60 1kfh n ASP 30 Ca 0.15 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 54.06 1kfh n ASP 30 Cb 0.47 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 1kfh n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kfh n ALA 31 N -3.00 3.20 -1.67 2.12 0.00 -1.26 -3.66 120.51 116.24 1kfh n ALA 31 Ca 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 53.44 50.00 1kfh n ALA 31 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 15.89 1kfh n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1kfh n PHE 32 N 9.90 -0.33 -0.34 0.00 3.72 -1.26 -4.76 117.46 124.39 1kfh n PHE 32 Ca 0.48 0.13 0.25 0.00 -0.05 0.00 0.00 57.45 58.26 1kfh n PHE 32 Cb 0.44 -1.78 0.49 0.00 -0.94 0.00 0.00 39.48 37.69 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kfh h SER 34 N 0.30 0.00 0.00 0.00 0.02 -1.87 -0.17 113.55 111.83 1kfh h SER 34 Ca 0.74 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.63 1kfh h SER 34 Cb 1.74 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.28 1kfh h SER 34 CO -0.60 0.00 -0.81 -1.54 -1.14 0.00 0.00 176.83 172.74 1kfh n SER 35 N -3.28 1.39 -2.14 3.07 3.41 -0.04 -4.90 113.62 111.14 1kfh n SER 35 Ca 0.03 0.22 -0.24 0.00 -0.26 0.00 0.00 58.87 58.62 1kfh n SER 35 Cb 0.52 -0.51 0.16 0.00 -0.26 0.00 0.00 64.21 64.13 1kfh n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1kfh n ARG 36 N -3.89 2.31 -0.20 4.33 1.85 -0.38 -5.03 116.66 115.65 1kfh n ARG 36 Ca -0.12 -3.10 0.01 0.00 -1.00 0.00 0.00 57.85 53.64 1kfh n ARG 36 Cb 0.37 -2.16 -0.00 0.00 -1.05 0.00 0.00 32.46 29.61 1kfh n ARG 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kfh n GLY 37 N -1.10 -2.89 3.64 2.89 0.00 -0.08 -4.74 105.19 102.92 1kfh n GLY 37 Ca 0.58 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1kfh n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kfh s LYS 38 N -3.87 4.01 -1.01 1.61 2.20 -1.26 -3.81 119.74 117.62 1kfh s LYS 38 Ca 0.00 -0.31 -0.23 0.00 -0.36 0.00 0.00 55.97 55.07 1kfh s LYS 38 Cb 0.00 -3.37 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1kfh s LYS 38 CO 0.00 0.16 1.50 0.08 -0.36 0.00 0.00 175.35 176.73 1kfh s VAL 39 N 0.73 3.87 -0.34 4.02 1.01 0.48 -4.86 120.40 125.30 1kfh s VAL 39 Ca 0.06 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1kfh s VAL 39 Cb -0.13 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.30 1kfh s VAL 39 CO 0.02 -1.83 0.46 -0.69 0.00 0.00 0.00 175.10 173.06 1kfh s VAL 40 N 5.55 5.07 -0.32 2.92 1.01 -1.26 -1.20 120.40 132.17 1kfh s VAL 40 Ca 0.49 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1kfh s VAL 40 Cb -0.01 -3.91 0.08 0.00 0.00 0.00 0.00 36.38 32.54 1kfh s VAL 40 CO -0.09 -0.16 0.03 -0.70 0.00 0.00 0.00 175.10 174.18 1kfh s GLU 41 N 2.25 2.08 -0.23 2.72 -6.30 0.12 -4.95 118.70 114.39 1kfh s GLU 41 Ca 0.16 -1.54 -0.16 0.00 -2.50 0.00 0.00 54.97 50.93 1kfh s GLU 41 Cb -0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 34.13 30.73 1kfh s GLU 41 CO 0.12 -0.77 0.42 -0.51 0.02 0.00 0.00 175.26 174.54 1kfh s LEU 42 N 1.12 4.10 0.00 2.70 1.43 -1.26 -0.59 118.68 126.17 1kfh s LEU 42 Ca 0.00 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1kfh s LEU 42 Cb -0.20 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1kfh s LEU 42 CO -0.04 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1kfh n GLY 43 N 4.26 2.84 3.04 -3.19 0.00 -0.78 -0.39 105.19 110.96 1kfh n GLY 43 Ca -0.07 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 1kfh n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfh s ALA 45 N 0.13 -0.79 -0.90 0.00 0.00 -0.24 -4.79 121.76 115.17 1kfh s ALA 45 Ca -0.03 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.46 1kfh s ALA 45 Cb -0.09 -0.01 0.50 0.00 0.00 0.00 0.00 23.12 23.51 1kfh s ALA 45 CO 0.01 -0.25 1.36 0.00 0.00 0.00 0.00 175.76 176.88 1kfh n ALA 46 N 1.50 1.42 -3.05 0.00 0.00 -0.40 -0.00 120.51 119.98 1kfh n ALA 46 Ca -0.20 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1kfh n ALA 46 Cb 0.56 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.71 1kfh n ALA 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kfh s THR 47 N -3.06 0.03 -0.16 0.00 -4.23 -1.26 -4.61 115.64 102.35 1kfh s THR 47 Ca 0.04 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.00 1kfh s THR 47 Cb 0.06 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.61 1kfh s THR 47 CO 0.19 -0.14 1.17 0.00 -0.54 0.00 0.00 174.62 175.30 1kfh s PRO 49 N 3.05 3.59 0.00 0.00 0.02 -1.26 -4.91 135.00 135.49 1kfh s PRO 49 Ca 0.52 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1kfh s PRO 49 Cb -0.20 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1kfh s PRO 49 CO 0.14 -0.74 1.17 -1.13 -0.33 0.00 0.00 177.00 176.11 1kfh n SER 50 N -0.60 3.34 -4.17 2.53 3.41 -1.26 -4.54 113.62 112.33 1kfh n SER 50 Ca 0.08 -1.94 -0.39 0.00 -0.26 0.00 0.00 58.87 56.35 1kfh n SER 50 Cb 0.47 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1kfh n SER 50 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1kfh s LYS 51 N 0.13 3.00 -0.12 4.33 1.02 -1.26 -4.95 119.74 121.90 1kfh s LYS 51 Ca 0.00 -2.66 -0.30 0.00 0.02 0.00 0.00 55.97 53.03 1kfh s LYS 51 Cb 0.00 -3.97 0.12 0.00 -0.52 0.00 0.00 37.83 33.45 1kfh s LYS 51 CO 0.00 -1.22 0.96 -1.59 -0.92 0.00 0.00 175.35 172.58 1kfh s LYS 52 N -0.25 0.66 -0.05 1.68 -2.85 -1.23 -4.21 119.74 113.50 1kfh s LYS 52 Ca 0.19 0.03 0.15 0.00 -1.00 0.00 0.00 55.97 55.34 1kfh s LYS 52 Cb -0.15 0.31 0.52 0.00 -2.06 0.00 0.00 37.83 36.45 1kfh s LYS 52 CO -0.06 -0.23 1.42 -0.35 0.10 0.00 0.00 175.35 176.22 1kfh n PRO 53 N 0.46 2.72 -0.26 1.78 -0.04 -1.26 -4.71 135.00 133.68 1kfh n PRO 53 Ca -0.10 -2.09 -0.05 0.00 -0.04 0.00 0.00 63.50 61.22 1kfh n PRO 53 Cb 0.59 -1.60 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1kfh n PRO 53 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1kfh h TYR 54 N 3.18 1.14 -3.32 0.54 -0.00 -1.94 -3.32 116.97 113.25 1kfh h TYR 54 Ca 0.00 -0.08 -0.74 0.00 -0.00 0.00 0.00 58.73 57.91 1kfh h TYR 54 Cb 0.97 -0.34 -0.22 0.00 -0.00 0.00 0.00 36.73 37.13 1kfh h TYR 54 CO 0.49 0.86 -0.34 -2.00 -0.00 0.00 0.00 178.16 177.17 1kfh s GLU 55 N -5.52 2.98 -1.25 0.10 -6.30 -1.26 -3.97 118.70 103.47 1kfh s GLU 55 Ca -0.12 -1.32 -0.16 0.00 -2.50 0.00 0.00 54.97 50.87 1kfh s GLU 55 Cb 0.16 -4.12 0.12 0.00 0.00 0.00 0.00 34.13 30.28 1kfh s GLU 55 CO 0.83 -1.01 1.59 -1.21 0.02 0.00 0.00 175.26 175.48 1kfh s GLU 56 N 1.65 4.02 -0.97 4.30 0.41 0.13 -3.47 118.70 124.77 1kfh s GLU 56 Ca 0.04 -2.25 -0.24 0.00 -0.41 0.00 0.00 54.97 52.12 1kfh s GLU 56 Cb -0.24 -5.31 0.03 0.00 -1.78 0.00 0.00 34.13 26.83 1kfh s GLU 56 CO 0.07 -2.03 1.53 0.14 -0.49 0.00 0.00 175.26 174.48 1kfh s VAL 57 N 3.02 3.81 -0.96 2.63 -7.23 -1.25 -2.63 120.40 117.79 1kfh s VAL 57 Ca 0.48 -0.58 -0.17 0.00 -1.81 0.00 0.00 61.98 59.91 1kfh s VAL 57 Cb 0.01 -4.85 0.16 0.00 0.56 0.00 0.00 36.38 32.26 1kfh s VAL 57 CO 0.04 -1.75 1.11 0.42 -0.31 0.00 0.00 175.10 174.61 1kfh s THR 58 N 5.98 5.01 0.03 5.32 -4.23 -0.41 -4.93 115.64 122.41 1kfh s THR 58 Ca 0.50 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1kfh s THR 58 Cb -0.02 -4.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.05 1kfh s THR 58 CO -0.06 -1.42 0.16 0.00 -0.54 0.00 0.00 174.62 172.76 1kfh n SER 61 N 2.48 5.53 -4.34 0.00 3.41 -1.26 0.31 113.62 119.76 1kfh n SER 61 Ca -0.15 -3.70 -0.18 0.00 -0.26 0.00 0.00 58.87 54.58 1kfh n SER 61 Cb 0.56 -0.88 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 1kfh n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1kfh s THR 62 N -4.03 1.70 0.00 6.66 -4.23 -1.26 -4.95 115.64 109.53 1kfh s THR 62 Ca 0.60 -2.18 -0.30 0.00 -1.18 0.00 0.00 61.69 58.63 1kfh s THR 62 Cb 0.49 -2.01 -0.08 0.00 1.34 0.00 0.00 72.50 72.24 1kfh s THR 62 CO 0.05 -0.59 1.84 -1.81 -0.54 0.00 0.00 174.62 173.57 1kfh s ASP 63 N -3.27 6.53 -1.45 3.99 1.01 -1.26 -2.54 116.67 119.68 1kfh s ASP 63 Ca 0.22 2.50 0.00 0.00 0.71 0.00 0.00 52.55 55.98 1kfh s ASP 63 Cb -0.01 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1kfh s ASP 63 CO 0.06 -1.00 0.00 0.29 0.21 0.00 0.00 175.17 174.73 1kfh n LYS 64 N 7.35 -1.03 0.16 8.23 5.02 0.11 -4.91 118.16 133.09 1kfh n LYS 64 Ca 0.19 0.97 0.13 0.00 -2.02 0.00 0.00 58.31 57.58 1kfh n LYS 64 Cb 0.42 -5.08 0.53 0.00 -0.02 0.00 0.00 35.03 30.88 1kfh n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kfh n ASN 66 N -2.39 6.80 -4.73 0.00 6.94 -1.26 -4.92 115.26 115.70 1kfh n ASN 66 Ca 0.02 -3.59 -0.42 0.00 -0.02 0.00 0.00 54.58 50.57 1kfh n ASN 66 Cb 0.24 -1.16 -0.03 0.00 -2.36 0.00 0.00 39.78 36.47 1kfh n ASN 66 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1kfh s PRO 67 N -3.73 4.34 -0.35 -0.53 0.04 -1.24 -4.53 135.00 129.00 1kfh s PRO 67 Ca 0.37 2.09 -0.42 0.00 0.04 0.00 0.00 61.00 63.08 1kfh s PRO 67 Cb 0.15 -3.22 -0.17 0.00 0.04 0.00 0.00 34.50 31.30 1kfh s PRO 67 CO -0.05 -0.38 1.74 1.58 0.04 0.00 0.00 177.00 179.94 1kfh n HIS 68 N 3.38 1.94 -2.10 0.56 -0.00 -1.26 -4.89 115.22 112.85 1kfh n HIS 68 Ca 0.09 0.69 -0.37 0.00 -0.00 0.00 0.00 57.72 58.14 1kfh n HIS 68 Cb 0.42 -2.40 -0.03 0.00 -0.00 0.00 0.00 29.99 27.98 1kfh n HIS 68 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1kfh s PRO 69 N 3.62 2.69 0.00 1.57 0.04 -1.26 -4.87 135.00 136.79 1kfh s PRO 69 Ca 1.01 0.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 1kfh s PRO 69 Cb -1.19 -4.50 -0.00 0.00 0.04 0.00 0.00 34.50 28.85 1kfh s PRO 69 CO 0.69 -2.77 1.95 1.63 0.04 0.00 0.00 177.00 178.54 1kfh n LYS 70 N 9.15 0.98 0.00 4.56 5.02 -1.26 -4.67 118.16 131.94 1kfh n LYS 70 Ca 0.22 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1kfh n LYS 70 Cb 0.51 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1kfh n LYS 70 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1kfh n GLN 71 N 1.52 0.00 -1.66 1.97 1.13 -1.26 -5.15 117.38 113.93 1kfh n GLN 71 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1kfh n GLN 71 Cb 0.49 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.81 1kfh n GLN 71 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1kfh n ARG 72 N -0.19 2.83 -1.09 -1.09 5.12 -1.26 -4.90 116.66 116.07 1kfh n ARG 72 Ca 0.00 1.03 -0.34 0.00 -1.93 0.00 0.00 57.85 56.62 1kfh n ARG 72 Cb 0.00 -3.00 -0.03 0.00 -1.16 0.00 0.00 32.46 28.27 1kfh n ARG 72 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1kfh n PRO 73 N 7.54 2.33 0.00 5.56 -0.02 -1.26 -5.15 135.00 143.99 1kfh n PRO 73 Ca 0.20 -1.86 0.00 0.00 -2.02 0.00 0.00 63.50 59.83 1kfh n PRO 73 Cb 0.40 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89