#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 3.83 0.14 1.39 1.01 -1.26 -0.52 120.40 124.99 1kfh s VAL 2 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1kfh s VAL 2 Cb 0.00 -4.99 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 1kfh s VAL 2 CO 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 175.10 173.19 1kfh s HIS 4 N -1.55 2.55 -0.11 0.00 3.76 -1.26 -0.10 115.29 118.57 1kfh s HIS 4 Ca 0.26 0.55 -0.01 0.00 -0.15 0.00 0.00 55.06 55.72 1kfh s HIS 4 Cb -0.10 -3.80 -0.02 0.00 1.11 0.00 0.00 32.58 29.76 1kfh s HIS 4 CO 0.18 -3.13 -0.08 -0.08 -0.85 0.00 0.00 174.74 170.78 1kfh s THR 5 N 2.84 3.54 -1.31 1.30 -1.32 0.76 -3.29 115.64 118.15 1kfh s THR 5 Ca 0.68 -0.51 0.28 0.00 -1.21 0.00 0.00 61.69 60.93 1kfh s THR 5 Cb -0.34 -2.49 0.42 0.00 -1.51 0.00 0.00 72.50 68.58 1kfh s THR 5 CO 0.28 0.55 1.94 0.35 -2.21 0.00 0.00 174.62 175.53 1kfh n THR 6 N 2.95 0.09 0.30 5.08 -2.24 0.10 -2.77 114.28 117.79 1kfh n THR 6 Ca -0.18 0.02 0.16 0.00 -2.27 0.00 0.00 64.05 61.78 1kfh n THR 6 Cb 0.53 -0.56 0.74 0.00 -2.10 0.00 0.00 70.33 68.94 1kfh n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfh h ALA 7 N 3.22 1.00 -4.14 6.98 0.00 -1.95 -3.43 119.26 120.95 1kfh h ALA 7 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1kfh h ALA 7 Cb 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.87 1kfh h ALA 7 CO 0.00 0.00 -0.81 0.95 0.00 0.00 0.00 179.25 179.39 1kfh s THR 8 N -3.66 2.76 -0.27 0.00 -4.23 -1.25 -5.10 115.64 103.89 1kfh s THR 8 Ca -0.00 -0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1kfh s THR 8 Cb 0.09 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.89 1kfh s THR 8 CO 0.39 0.51 -0.05 -0.55 -0.54 0.00 0.00 174.62 174.39 1kfh s SER 9 N -0.92 4.55 0.68 3.99 0.15 -1.26 -1.88 113.70 119.01 1kfh s SER 9 Ca 0.12 -1.12 -0.12 0.00 0.70 0.00 0.00 55.95 55.53 1kfh s SER 9 Cb -0.10 -1.66 0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1kfh s SER 9 CO 0.02 -0.19 1.07 -2.16 1.20 0.00 0.00 173.24 173.17 1kfh s PRO 10 N 1.26 2.91 0.12 5.44 0.04 -1.26 -5.10 135.00 138.41 1kfh s PRO 10 Ca -0.04 1.05 -0.35 0.00 0.04 0.00 0.00 61.00 61.70 1kfh s PRO 10 Cb -0.18 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1kfh s PRO 10 CO -0.03 -1.12 1.34 -0.89 0.04 0.00 0.00 177.00 176.33 1kfh n ILE 11 N -2.95 0.23 -4.18 0.56 5.41 -0.79 -5.00 119.36 112.65 1kfh n ILE 11 Ca 0.08 -0.06 -0.11 0.00 1.00 0.00 0.00 62.75 63.66 1kfh n ILE 11 Cb 0.53 -0.96 -0.10 0.00 -0.71 0.00 0.00 39.64 38.40 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 0.43 0.46 -0.29 4.38 1.04 -1.12 -4.94 113.70 113.67 1kfh s SER 12 Ca 0.81 -1.25 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 1kfh s SER 12 Cb -0.88 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 1kfh s SER 12 CO 0.47 -0.73 0.20 0.00 0.98 0.00 0.00 173.24 174.16 1kfh s ALA 13 N -4.00 3.51 0.01 5.32 0.00 -1.26 -0.17 121.76 125.17 1kfh s ALA 13 Ca 0.28 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1kfh s ALA 13 Cb 0.07 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 1kfh s ALA 13 CO 0.05 -0.64 -0.19 0.14 0.00 0.00 0.00 175.76 175.11 1kfh s VAL 14 N 1.75 2.66 -0.82 0.00 -7.23 0.85 -4.77 120.40 112.84 1kfh s VAL 14 Ca 0.07 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.88 1kfh s VAL 14 Cb -0.16 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1kfh s VAL 14 CO 0.11 0.43 1.47 -0.89 -0.31 0.00 0.00 175.10 175.90 1kfh s THR 15 N -0.83 3.70 -0.13 5.32 2.01 -1.26 -0.48 115.64 123.97 1kfh s THR 15 Ca 0.13 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1kfh s THR 15 Cb -0.10 -4.74 -0.01 0.00 0.01 0.00 0.00 72.50 67.65 1kfh s THR 15 CO 0.03 -1.66 1.15 0.00 -0.69 0.00 0.00 174.62 173.45 1kfh s PRO 17 N 2.74 0.02 0.15 0.00 0.04 -1.26 -2.26 135.00 134.43 1kfh s PRO 17 Ca 0.52 0.42 -0.34 0.00 0.04 0.00 0.00 61.00 61.63 1kfh s PRO 17 Cb -0.21 -1.70 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 1kfh s PRO 17 CO 0.16 -2.99 1.49 -2.30 0.04 0.00 0.00 177.00 173.40 1kfh n PRO 18 N -4.34 1.84 0.00 0.56 -0.02 -1.26 -1.09 135.00 130.69 1kfh n PRO 18 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1kfh n PRO 18 Cb 0.58 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.02 0.65 2.66 -1.23 0.00 -1.26 -4.89 105.19 104.15 1kfh n GLY 19 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 1.98 0.09 1.61 1.02 -0.25 -1.14 120.64 121.95 1kfh n GLU 20 Ca 0.00 -3.61 0.13 0.00 -0.02 0.00 0.00 57.16 53.66 1kfh n GLU 20 Cb 0.00 -1.67 0.43 0.00 -0.02 0.00 0.00 31.44 30.19 1kfh n GLU 20 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kfh n ASN 21 N -0.51 0.71 -4.84 1.62 4.13 -1.12 -3.88 115.26 111.38 1kfh n ASN 21 Ca 0.14 0.57 -0.31 0.00 1.68 0.00 0.00 54.58 56.66 1kfh n ASN 21 Cb 0.82 -0.76 -0.06 0.00 -1.54 0.00 0.00 39.78 38.25 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 -4.33 4.05 -0.06 3.41 1.43 0.23 -4.46 118.68 118.95 1kfh s LEU 22 Ca 0.11 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1kfh s LEU 22 Cb 0.13 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1kfh s LEU 22 CO 0.58 0.19 0.12 0.00 0.23 0.00 0.00 176.35 177.47 1kfh s TYR 24 N -1.13 -0.16 -0.42 0.00 -0.85 -0.25 -0.53 117.35 114.01 1kfh s TYR 24 Ca 0.20 0.21 -0.06 0.00 -0.52 0.00 0.00 57.07 56.90 1kfh s TYR 24 Cb -0.12 0.08 0.10 0.00 0.38 0.00 0.00 41.96 42.40 1kfh s TYR 24 CO 0.10 -0.39 0.24 0.50 -1.52 0.00 0.00 175.55 174.48 1kfh s ARG 25 N -1.41 2.33 -0.75 -3.49 3.52 -1.09 -1.19 118.95 116.87 1kfh s ARG 25 Ca -0.13 -1.66 -0.16 0.00 -0.13 0.00 0.00 55.73 53.65 1kfh s ARG 25 Cb -0.05 -3.69 0.16 0.00 -1.56 0.00 0.00 34.95 29.81 1kfh s ARG 25 CO 0.04 -1.03 0.78 0.21 -0.81 0.00 0.00 175.30 174.48 1kfh s LYS 26 N 1.29 3.39 -0.17 5.12 2.20 0.76 -1.38 119.74 130.95 1kfh s LYS 26 Ca 0.05 -1.98 -0.01 0.00 -0.36 0.00 0.00 55.97 53.67 1kfh s LYS 26 Cb -0.23 -4.46 -0.01 0.00 -1.51 0.00 0.00 37.83 31.61 1kfh s LYS 26 CO -0.01 -1.44 -0.10 0.00 -0.36 0.00 0.00 175.35 173.43 1kfh s MET 27 N 1.38 3.35 0.07 4.03 0.23 -0.16 -0.05 119.30 128.16 1kfh s MET 27 Ca 0.17 -0.67 -0.10 0.00 -1.03 0.00 0.00 55.69 54.06 1kfh s MET 27 Cb -0.15 -2.76 0.00 0.00 -1.53 0.00 0.00 34.83 30.39 1kfh s MET 27 CO -0.04 0.03 0.21 1.67 -2.03 0.00 0.00 175.02 174.86 1kfh s TRP 28 N 0.82 0.09 0.11 3.16 -2.14 -0.15 -0.43 118.94 120.41 1kfh s TRP 28 Ca -0.04 -0.44 -0.30 0.00 2.66 0.00 0.00 56.10 57.98 1kfh s TRP 28 Cb -0.15 -0.03 -0.06 0.00 -3.10 0.00 0.00 33.47 30.13 1kfh s TRP 28 CO 0.01 -0.52 1.11 0.00 -2.66 0.00 0.00 176.95 174.89 1kfh s ASP 30 N 0.45 5.13 0.00 0.00 1.47 -0.26 -4.86 116.67 118.61 1kfh s ASP 30 Ca 0.53 -0.52 0.00 0.00 1.18 0.00 0.00 52.55 53.74 1kfh s ASP 30 Cb -0.28 -0.19 0.00 0.00 -0.34 0.00 0.00 42.92 42.11 1kfh s ASP 30 CO 0.32 -1.26 0.00 0.00 0.68 0.00 0.00 175.17 174.91 1kfh n ALA 31 N -2.26 0.00 -3.05 2.11 0.00 -1.23 -1.24 120.51 114.83 1kfh n ALA 31 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 1kfh n ALA 31 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 1kfh n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kfh n PHE 32 N 0.00 -0.04 0.00 0.00 -0.00 -0.87 -5.02 117.46 111.54 1kfh n PHE 32 Ca 0.00 -3.43 0.00 0.00 -0.00 0.00 0.00 57.45 54.02 1kfh n PHE 32 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 39.48 39.33 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1kfh h SER 34 N 0.00 0.28 0.00 0.00 4.64 -1.90 -2.71 113.55 113.87 1kfh h SER 34 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1kfh h SER 34 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1kfh h SER 34 CO 0.00 0.07 -1.00 -1.54 -0.87 0.00 0.00 176.83 173.49 1kfh n SER 35 N -4.46 2.22 -3.44 4.97 3.41 -0.02 -4.91 113.62 111.38 1kfh n SER 35 Ca 0.23 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.46 1kfh n SER 35 Cb 0.93 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.89 1kfh n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kfh n ARG 36 N -2.72 4.83 -0.05 4.33 5.12 0.41 -5.00 116.66 123.59 1kfh n ARG 36 Ca 0.00 -4.62 0.00 0.00 -1.93 0.00 0.00 57.85 51.30 1kfh n ARG 36 Cb 0.50 -2.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.39 1kfh n ARG 36 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kfh n GLY 37 N -0.14 -2.95 3.09 -0.13 0.00 -1.02 -1.97 105.19 102.07 1kfh n GLY 37 Ca 0.45 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1kfh n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfh s LYS 38 N -5.13 2.38 -0.53 1.61 1.02 -1.26 -1.10 119.74 116.73 1kfh s LYS 38 Ca 0.00 -0.63 -0.15 0.00 0.02 0.00 0.00 55.97 55.21 1kfh s LYS 38 Cb 0.00 -1.96 0.13 0.00 -0.52 0.00 0.00 37.83 35.48 1kfh s LYS 38 CO 0.00 -0.01 0.49 0.08 -0.92 0.00 0.00 175.35 174.98 1kfh s VAL 39 N 0.84 5.13 -0.41 3.17 1.01 0.57 -4.93 120.40 125.79 1kfh s VAL 39 Ca -0.09 -1.52 -0.09 0.00 0.00 0.00 0.00 61.98 60.28 1kfh s VAL 39 Cb -0.15 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.00 1kfh s VAL 39 CO 0.00 -0.86 0.24 -0.69 0.00 0.00 0.00 175.10 173.79 1kfh s VAL 40 N 1.58 4.26 -0.32 2.92 1.01 -1.26 -0.97 120.40 127.62 1kfh s VAL 40 Ca 0.03 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1kfh s VAL 40 Cb -0.30 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1kfh s VAL 40 CO 0.03 -0.44 0.10 -1.61 0.00 0.00 0.00 175.10 173.17 1kfh s GLU 41 N 1.45 2.82 -0.74 2.72 0.41 0.93 -4.95 118.70 121.33 1kfh s GLU 41 Ca 0.02 -1.05 -0.18 0.00 -0.41 0.00 0.00 54.97 53.36 1kfh s GLU 41 Cb -0.22 -3.43 0.13 0.00 -1.78 0.00 0.00 34.13 28.83 1kfh s GLU 41 CO 0.03 -0.57 0.87 -0.51 -0.49 0.00 0.00 175.26 174.59 1kfh s LEU 42 N 1.45 5.42 0.27 1.80 2.01 -1.26 -0.17 118.68 128.20 1kfh s LEU 42 Ca 0.00 -1.79 0.03 0.00 0.01 0.00 0.00 54.13 52.39 1kfh s LEU 42 Cb -0.18 -2.33 -0.06 0.00 0.01 0.00 0.00 46.19 43.63 1kfh s LEU 42 CO 0.03 -1.04 0.03 -0.83 1.01 0.00 0.00 176.35 175.55 1kfh s GLY 43 N 3.38 1.79 0.03 -3.19 0.00 -0.33 -0.72 107.32 108.28 1kfh s GLY 43 Ca 0.20 -1.90 0.07 0.00 0.00 0.00 0.00 44.72 43.09 1kfh s GLY 43 CO -0.01 -1.71 -0.17 0.00 0.00 0.00 0.00 173.10 171.21 1kfh s ALA 45 N -0.91 -1.92 -0.48 0.00 0.00 -0.89 -4.97 121.76 112.58 1kfh s ALA 45 Ca 0.14 1.41 0.21 0.00 0.00 0.00 0.00 51.96 53.73 1kfh s ALA 45 Cb -0.11 -0.30 0.96 0.00 0.00 0.00 0.00 23.12 23.68 1kfh s ALA 45 CO 0.05 -0.47 1.65 0.00 0.00 0.00 0.00 175.76 176.99 1kfh n ALA 46 N 0.30 1.49 -3.48 0.00 0.00 -0.29 -0.60 120.51 117.91 1kfh n ALA 46 Ca -0.08 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1kfh n ALA 46 Cb 0.59 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 1kfh n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1kfh s THR 47 N -3.33 0.00 -0.27 0.00 2.01 -1.26 -4.59 115.64 108.20 1kfh s THR 47 Ca 0.03 -0.02 -0.32 0.00 0.31 0.00 0.00 61.69 61.69 1kfh s THR 47 Cb 0.08 -0.82 -0.09 0.00 0.01 0.00 0.00 72.50 71.68 1kfh s THR 47 CO 0.32 -0.01 2.17 0.00 -0.69 0.00 0.00 174.62 176.41 1kfh n PRO 49 N 8.26 2.21 -4.61 0.00 -0.04 -1.26 -4.94 135.00 134.61 1kfh n PRO 49 Ca 0.35 -2.43 -0.33 0.00 -0.04 0.00 0.00 63.50 61.04 1kfh n PRO 49 Cb 0.32 -1.95 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 1kfh n PRO 49 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1kfh s SER 50 N -0.85 4.59 -1.45 3.54 1.04 -1.26 -5.00 113.70 114.31 1kfh s SER 50 Ca 0.48 -0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 1kfh s SER 50 Cb 0.38 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1kfh s SER 50 CO 0.01 0.34 2.71 0.29 0.98 0.00 0.00 173.24 177.58 1kfh n LYS 51 N 2.09 4.07 -2.87 4.02 4.76 -1.26 -4.92 118.16 124.05 1kfh n LYS 51 Ca -0.17 -2.76 -0.40 0.00 -2.87 0.00 0.00 58.31 52.11 1kfh n LYS 51 Cb 0.53 -2.70 -0.06 0.00 -1.84 0.00 0.00 35.03 30.96 1kfh n LYS 51 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1kfh s LYS 52 N 0.58 4.67 -1.06 1.97 2.47 -1.24 -0.61 119.74 126.53 1kfh s LYS 52 Ca 0.63 1.29 -0.11 0.00 -1.56 0.00 0.00 55.97 56.22 1kfh s LYS 52 Cb 0.19 -3.30 0.25 0.00 -1.46 0.00 0.00 37.83 33.51 1kfh s LYS 52 CO -0.08 0.46 1.08 -1.25 0.16 0.00 0.00 175.35 175.72 1kfh s PRO 53 N -0.82 4.04 0.00 4.03 0.04 -1.26 -4.91 135.00 136.12 1kfh s PRO 53 Ca 0.39 -2.94 0.00 0.00 0.04 0.00 0.00 61.00 58.50 1kfh s PRO 53 Cb -0.24 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.70 1kfh s PRO 53 CO 0.28 -1.33 0.00 2.48 0.04 0.00 0.00 177.00 178.47 1kfh n TYR 54 N 3.44 0.00 -2.86 0.56 0.18 -0.47 -4.97 117.16 113.04 1kfh n TYR 54 Ca 0.23 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.58 1kfh n TYR 54 Cb 0.42 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.36 1kfh n TYR 54 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1kfh s GLU 55 N -1.68 3.76 -0.76 -3.48 2.02 0.23 -4.22 118.70 114.58 1kfh s GLU 55 Ca 0.00 -1.92 -0.26 0.00 0.02 0.00 0.00 54.97 52.80 1kfh s GLU 55 Cb 0.00 -5.06 0.02 0.00 0.10 0.00 0.00 34.13 29.19 1kfh s GLU 55 CO 0.00 -1.86 1.43 -2.00 0.02 0.00 0.00 175.26 172.85 1kfh s GLU 56 N 2.78 3.12 -0.23 1.61 -6.30 0.43 -3.64 118.70 116.46 1kfh s GLU 56 Ca 0.39 -0.20 -0.21 0.00 -2.50 0.00 0.00 54.97 52.45 1kfh s GLU 56 Cb -0.03 -4.40 -0.02 0.00 0.00 0.00 0.00 34.13 29.68 1kfh s GLU 56 CO -0.06 -2.30 0.64 0.14 0.02 0.00 0.00 175.26 173.70 1kfh s VAL 57 N 6.39 4.99 -1.03 3.70 -7.23 -1.24 -0.99 120.40 124.99 1kfh s VAL 57 Ca 0.43 1.18 -0.10 0.00 -1.81 0.00 0.00 61.98 61.69 1kfh s VAL 57 Cb -0.08 -3.95 0.26 0.00 0.56 0.00 0.00 36.38 33.17 1kfh s VAL 57 CO 0.12 0.05 1.00 0.42 -0.31 0.00 0.00 175.10 176.39 1kfh s THR 58 N 2.30 5.80 0.07 5.32 -4.23 -0.48 -4.93 115.64 119.48 1kfh s THR 58 Ca 0.28 -3.21 -0.12 0.00 -1.18 0.00 0.00 61.69 57.46 1kfh s THR 58 Cb -0.16 -4.51 -0.06 0.00 1.34 0.00 0.00 72.50 69.11 1kfh s THR 58 CO 0.09 -1.14 0.43 0.00 -0.54 0.00 0.00 174.62 173.46 1kfh n SER 61 N 1.47 4.95 -4.40 0.00 3.41 -1.26 0.16 113.62 117.95 1kfh n SER 61 Ca -0.13 -3.73 -0.20 0.00 -0.26 0.00 0.00 58.87 54.55 1kfh n SER 61 Cb 0.57 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.96 1.43 0.18 6.66 -4.23 -1.26 -4.93 115.64 109.53 1kfh s THR 62 Ca 0.56 -2.09 -0.31 0.00 -1.18 0.00 0.00 61.69 58.68 1kfh s THR 62 Cb 0.47 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.78 1kfh s THR 62 CO 0.04 -0.29 1.38 -1.81 -0.54 0.00 0.00 174.62 173.40 1kfh s ASP 63 N -3.40 6.80 0.00 3.99 1.01 -1.26 -2.89 116.67 120.91 1kfh s ASP 63 Ca 0.29 2.45 0.00 0.00 0.71 0.00 0.00 52.55 56.00 1kfh s ASP 63 Cb 0.05 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1kfh s ASP 63 CO 0.11 -0.63 0.00 0.29 0.21 0.00 0.00 175.17 175.15 1kfh n LYS 64 N 3.12 -1.45 0.28 8.23 4.76 0.11 -4.89 118.16 128.32 1kfh n LYS 64 Ca 0.09 0.36 0.17 0.00 -2.87 0.00 0.00 58.31 56.06 1kfh n LYS 64 Cb 0.42 -4.65 0.72 0.00 -1.84 0.00 0.00 35.03 29.68 1kfh n LYS 64 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kfh n ASN 66 N -3.14 6.65 -4.65 0.00 6.94 -1.26 -4.88 115.26 114.91 1kfh n ASN 66 Ca 0.00 -3.52 -0.43 0.00 -0.02 0.00 0.00 54.58 50.62 1kfh n ASN 66 Cb 0.29 -1.21 -0.02 0.00 -2.36 0.00 0.00 39.78 36.48 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 -3.34 4.10 0.14 -0.53 0.04 -1.22 -4.59 135.00 129.60 1kfh s PRO 67 Ca 0.34 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 1kfh s PRO 67 Cb 0.10 -3.87 -0.11 0.00 0.04 0.00 0.00 34.50 30.67 1kfh s PRO 67 CO 0.02 -0.89 1.82 -1.58 0.04 0.00 0.00 177.00 176.41 1kfh s HIS 68 N 4.01 2.22 0.00 0.56 5.65 -1.25 -4.89 115.29 121.60 1kfh s HIS 68 Ca 0.61 0.01 0.00 0.00 0.25 0.00 0.00 55.06 55.93 1kfh s HIS 68 Cb -0.24 -4.18 0.00 0.00 -1.18 0.00 0.00 32.58 26.98 1kfh s HIS 68 CO 0.21 -4.84 0.00 -2.30 -0.65 0.00 0.00 174.74 167.16 1kfh n PRO 69 N 5.49 0.00 -2.93 2.88 -0.02 -1.25 -0.88 135.00 138.29 1kfh n PRO 69 Ca 0.18 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.22 1kfh n PRO 69 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.86 1kfh n PRO 69 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1kfh s LYS 70 N -3.96 4.08 0.00 -0.52 1.02 -1.26 -4.43 119.74 114.66 1kfh s LYS 70 Ca 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 55.97 53.45 1kfh s LYS 70 Cb 0.00 -5.09 0.00 0.00 -0.52 0.00 0.00 37.83 32.22 1kfh s LYS 70 CO 0.00 -1.79 0.00 1.04 -0.92 0.00 0.00 175.35 173.68 1kfh n GLN 71 N 5.81 0.00 -4.44 1.68 1.13 -0.06 -4.98 117.38 116.52 1kfh n GLN 71 Ca 0.37 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 55.09 1kfh n GLN 71 Cb 0.43 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.66 1kfh n GLN 71 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1kfh s ARG 72 N -1.95 3.46 -0.79 -1.09 0.52 -1.26 -0.74 118.95 117.10 1kfh s ARG 72 Ca 0.00 -0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 1kfh s ARG 72 Cb 0.00 -2.85 0.16 0.00 0.52 0.00 0.00 34.95 32.78 1kfh s ARG 72 CO 0.00 0.35 0.86 -1.25 0.02 0.00 0.00 175.30 175.28 1kfh s PRO 73 N 0.06 3.44 0.00 3.54 0.04 -1.26 -4.58 135.00 136.24 1kfh s PRO 73 Ca -0.00 -1.93 0.00 0.00 0.04 0.00 0.00 61.00 59.10 1kfh s PRO 73 Cb -0.13 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1kfh s PRO 73 CO 0.03 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.97