#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 4.83 0.04 1.39 1.01 -1.26 -1.17 120.40 125.25 1kfh s VAL 2 Ca 0.00 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.78 1kfh s VAL 2 Cb 0.00 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1kfh s VAL 2 CO 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 175.10 174.97 1kfh s HIS 4 N -1.00 3.29 -0.06 0.00 3.76 -1.26 -0.03 115.29 119.98 1kfh s HIS 4 Ca -0.02 1.09 0.04 0.00 -0.15 0.00 0.00 55.06 56.03 1kfh s HIS 4 Cb -0.08 -3.61 -0.02 0.00 1.11 0.00 0.00 32.58 29.98 1kfh s HIS 4 CO 0.01 -2.04 -0.19 -0.08 -0.85 0.00 0.00 174.74 171.59 1kfh s THR 5 N 0.83 2.59 -1.43 1.30 -1.32 0.46 -2.33 115.64 115.75 1kfh s THR 5 Ca 0.61 -0.88 0.30 0.00 -1.21 0.00 0.00 61.69 60.52 1kfh s THR 5 Cb -0.35 -1.99 0.53 0.00 -1.51 0.00 0.00 72.50 69.17 1kfh s THR 5 CO 0.32 0.57 2.05 0.35 -2.21 0.00 0.00 174.62 175.71 1kfh n THR 6 N 2.75 0.00 0.43 5.08 -2.24 0.11 -2.02 114.28 118.40 1kfh n THR 6 Ca -0.17 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.69 1kfh n THR 6 Cb 0.52 -0.50 0.36 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.29 1.61 -2.41 6.98 0.00 -1.26 -4.74 120.51 119.40 1kfh n ALA 7 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 1kfh n ALA 7 Cb 0.24 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.12 2.54 -0.31 0.00 -4.23 -1.26 -5.09 115.64 104.18 1kfh s THR 8 Ca 0.05 -1.24 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1kfh s THR 8 Cb 0.09 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1kfh s THR 8 CO 0.29 0.36 0.02 -0.94 -0.54 0.00 0.00 174.62 173.82 1kfh s SER 9 N -1.32 4.93 0.58 3.99 1.04 -1.26 -1.70 113.70 119.96 1kfh s SER 9 Ca 0.13 -1.38 -0.14 0.00 0.48 0.00 0.00 55.95 55.05 1kfh s SER 9 Cb -0.10 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.24 1kfh s SER 9 CO 0.04 -0.29 1.02 -2.16 0.98 0.00 0.00 173.24 172.82 1kfh s PRO 10 N 1.23 3.67 -0.41 4.02 0.04 -1.26 -5.09 135.00 137.20 1kfh s PRO 10 Ca -0.03 0.90 -0.45 0.00 0.04 0.00 0.00 61.00 61.46 1kfh s PRO 10 Cb -0.20 -2.09 -0.19 0.00 0.04 0.00 0.00 34.50 32.06 1kfh s PRO 10 CO -0.02 -0.50 1.64 -0.89 0.04 0.00 0.00 177.00 177.27 1kfh n ILE 11 N -2.21 0.10 -4.12 0.56 5.41 -0.69 -4.95 119.36 113.47 1kfh n ILE 11 Ca 0.07 -0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 1kfh n ILE 11 Cb 0.54 -0.73 -0.11 0.00 -0.71 0.00 0.00 39.64 38.63 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 3.11 1.04 -0.04 4.38 1.04 -0.86 -4.92 113.70 117.44 1kfh s SER 12 Ca 1.02 -0.75 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 1kfh s SER 12 Cb -1.35 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 64.79 1kfh s SER 12 CO 0.76 -0.31 1.18 0.00 0.98 0.00 0.00 173.24 175.85 1kfh s ALA 13 N -2.34 3.46 0.01 5.32 0.00 -1.26 -0.40 121.76 126.55 1kfh s ALA 13 Ca -0.00 0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1kfh s ALA 13 Cb -0.03 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1kfh s ALA 13 CO -0.02 -0.69 -0.20 0.14 0.00 0.00 0.00 175.76 174.99 1kfh s VAL 14 N 2.02 1.58 -0.76 0.00 -7.23 0.96 -4.92 120.40 112.04 1kfh s VAL 14 Ca 0.55 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.47 1kfh s VAL 14 Cb -0.25 -1.34 0.04 0.00 0.56 0.00 0.00 36.38 35.40 1kfh s VAL 14 CO 0.23 0.32 1.23 -0.89 -0.31 0.00 0.00 175.10 175.67 1kfh s THR 15 N -0.62 3.91 -2.93 5.32 2.01 -1.26 -0.46 115.64 121.61 1kfh s THR 15 Ca 0.07 0.03 0.24 0.00 0.31 0.00 0.00 61.69 62.34 1kfh s THR 15 Cb -0.08 -4.88 0.23 0.00 0.01 0.00 0.00 72.50 67.78 1kfh s THR 15 CO 0.00 -1.77 1.30 0.00 -0.69 0.00 0.00 174.62 173.47 1kfh h PRO 17 N 4.52 0.09 -0.98 0.00 0.13 -1.72 -3.32 132.00 130.72 1kfh h PRO 17 Ca 0.00 -0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.43 1kfh h PRO 17 Cb 0.96 -0.02 -0.18 0.00 0.13 0.00 0.00 31.00 31.90 1kfh h PRO 17 CO 0.00 0.06 0.19 -1.35 -0.23 0.00 0.00 178.00 176.67 1kfh h PRO 18 N 0.09 0.04 -0.55 1.56 0.11 -1.96 -0.66 132.00 130.62 1kfh h PRO 18 Ca 0.61 -0.00 -0.39 0.00 0.11 0.00 0.00 66.00 66.33 1kfh h PRO 18 Cb 1.32 -0.01 -0.38 0.00 0.11 0.00 0.00 31.00 32.04 1kfh h PRO 18 CO -0.79 0.03 -0.89 0.41 -0.21 0.00 0.00 178.00 176.55 1kfh n GLY 19 N -1.42 4.70 3.09 -0.55 0.00 -1.25 -5.01 105.19 104.75 1kfh n GLY 19 Ca 0.27 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1kfh n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kfh s GLU 20 N -3.46 0.51 -0.01 1.61 -6.30 -0.26 -1.14 118.70 109.65 1kfh s GLU 20 Ca 0.42 0.87 0.16 0.00 -2.50 0.00 0.00 54.97 53.93 1kfh s GLU 20 Cb 0.38 0.27 -0.21 0.00 0.00 0.00 0.00 34.13 34.57 1kfh s GLU 20 CO -0.00 -0.63 0.54 0.09 0.02 0.00 0.00 175.26 175.28 1kfh n ASN 21 N 5.41 0.95 -4.35 -1.70 4.13 -1.07 -4.18 115.26 114.45 1kfh n ASN 21 Ca -0.02 -0.48 -0.26 0.00 1.68 0.00 0.00 54.58 55.51 1kfh n ASN 21 Cb 0.51 1.35 -0.12 0.00 -1.54 0.00 0.00 39.78 39.98 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 -3.41 2.36 0.03 3.41 1.43 0.33 -4.32 118.68 118.51 1kfh s LEU 22 Ca 0.01 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1kfh s LEU 22 Cb 0.12 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 1kfh s LEU 22 CO 0.68 0.09 -0.07 0.00 0.23 0.00 0.00 176.35 177.28 1kfh s TYR 24 N -1.05 -0.13 -0.31 0.00 -0.85 -0.42 -0.49 117.35 114.11 1kfh s TYR 24 Ca 0.18 0.21 -0.05 0.00 -0.52 0.00 0.00 57.07 56.90 1kfh s TYR 24 Cb -0.11 0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.31 1kfh s TYR 24 CO 0.09 -0.31 0.05 -0.98 -1.52 0.00 0.00 175.55 172.88 1kfh s ARG 25 N -1.09 2.71 -0.89 -3.49 1.70 -0.95 -1.06 118.95 115.88 1kfh s ARG 25 Ca -0.12 -1.10 -0.13 0.00 -0.47 0.00 0.00 55.73 53.91 1kfh s ARG 25 Cb -0.05 -3.32 0.23 0.00 -0.57 0.00 0.00 34.95 31.24 1kfh s ARG 25 CO 0.03 -0.57 0.85 0.21 -1.08 0.00 0.00 175.30 174.73 1kfh s LYS 26 N 1.38 3.74 -0.15 3.89 2.20 0.11 -1.11 119.74 129.79 1kfh s LYS 26 Ca -0.01 -2.63 0.01 0.00 -0.36 0.00 0.00 55.97 52.98 1kfh s LYS 26 Cb -0.19 -4.46 0.00 0.00 -1.51 0.00 0.00 37.83 31.67 1kfh s LYS 26 CO 0.01 -1.28 -0.17 0.00 -0.36 0.00 0.00 175.35 173.55 1kfh s MET 27 N -0.13 3.16 0.03 4.03 0.23 -0.05 -0.17 119.30 126.40 1kfh s MET 27 Ca 0.21 -0.78 -0.14 0.00 -1.03 0.00 0.00 55.69 53.95 1kfh s MET 27 Cb -0.10 -2.58 0.02 0.00 -1.53 0.00 0.00 34.83 30.64 1kfh s MET 27 CO -0.09 -0.00 0.31 1.67 -2.03 0.00 0.00 175.02 174.87 1kfh s TRP 28 N 0.85 -0.12 0.17 3.16 -2.14 -0.27 -0.14 118.94 120.46 1kfh s TRP 28 Ca -0.05 0.02 -0.30 0.00 2.66 0.00 0.00 56.10 58.42 1kfh s TRP 28 Cb -0.15 0.10 -0.08 0.00 -3.10 0.00 0.00 33.47 30.23 1kfh s TRP 28 CO -0.01 -0.49 1.29 0.00 -2.66 0.00 0.00 176.95 175.08 1kfh n ASP 30 N 2.90 0.00 -1.15 0.00 5.68 -0.64 -4.84 116.55 118.50 1kfh n ASP 30 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1kfh n ASP 30 Cb 0.43 -0.00 0.00 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 -0.82 0.00 -0.96 2.12 0.00 -1.05 -4.93 120.51 114.87 1kfh n ALA 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1kfh n ALA 31 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.00 1.64 0.00 0.00 3.01 -1.11 -4.70 117.46 116.30 1kfh n PHE 32 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 57.45 56.60 1kfh n PHE 32 Cb 0.00 -1.68 0.00 0.00 -0.01 0.00 0.00 39.48 37.79 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kfh s SER 34 N 0.00 5.03 0.00 0.00 0.15 -1.26 -1.67 113.70 115.95 1kfh s SER 34 Ca 0.00 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.18 1kfh s SER 34 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1kfh s SER 34 CO 0.00 -3.04 0.00 -1.54 1.20 0.00 0.00 173.24 169.86 1kfh n SER 35 N 14.39 0.00 -2.92 5.45 3.41 -1.16 -4.96 113.62 127.82 1kfh n SER 35 Ca 0.44 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.70 1kfh n SER 35 Cb 0.47 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.00 3.51 -0.58 4.33 5.12 0.07 -5.00 116.66 124.11 1kfh n ARG 36 Ca 0.00 -4.20 0.00 0.00 -1.93 0.00 0.00 57.85 51.72 1kfh n ARG 36 Cb 0.00 -2.30 0.00 0.00 -1.16 0.00 0.00 32.46 29.00 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 -0.40 -3.53 2.96 -0.13 0.00 -0.67 -2.38 105.19 101.04 1kfh n GLY 37 Ca 0.45 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -5.07 1.46 -0.84 1.61 2.20 -1.26 -1.61 119.74 116.23 1kfh s LYS 38 Ca 0.00 -0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.09 1kfh s LYS 38 Cb 0.00 -1.35 0.08 0.00 -1.51 0.00 0.00 37.83 35.04 1kfh s LYS 38 CO 0.00 -0.10 1.18 0.08 -0.36 0.00 0.00 175.35 176.15 1kfh s VAL 39 N 1.08 4.25 -0.38 4.02 1.01 0.58 -4.92 120.40 126.03 1kfh s VAL 39 Ca -0.07 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1kfh s VAL 39 Cb -0.14 -4.84 0.02 0.00 0.00 0.00 0.00 36.38 31.42 1kfh s VAL 39 CO -0.01 -1.65 0.24 0.54 0.00 0.00 0.00 175.10 174.21 1kfh s VAL 40 N 4.15 4.81 -0.31 2.92 0.11 -1.26 -1.11 120.40 129.71 1kfh s VAL 40 Ca 0.33 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.59 1kfh s VAL 40 Cb -0.08 -3.68 0.06 0.00 -1.53 0.00 0.00 36.38 31.16 1kfh s VAL 40 CO 0.00 -0.25 0.01 -0.70 -3.33 0.00 0.00 175.10 170.83 1kfh s GLU 41 N 1.60 2.32 -0.37 1.54 -6.30 0.76 -4.95 118.70 113.30 1kfh s GLU 41 Ca 0.03 -1.36 -0.20 0.00 -2.50 0.00 0.00 54.97 50.94 1kfh s GLU 41 Cb -0.19 -3.18 0.00 0.00 0.00 0.00 0.00 34.13 30.76 1kfh s GLU 41 CO 0.08 -0.67 0.64 -0.51 0.02 0.00 0.00 175.26 174.81 1kfh s LEU 42 N 1.21 4.28 0.00 2.70 2.01 -1.26 0.05 118.68 127.67 1kfh s LEU 42 Ca -0.04 0.09 0.02 0.00 0.01 0.00 0.00 54.13 54.21 1kfh s LEU 42 Cb -0.20 -2.78 -0.01 0.00 0.01 0.00 0.00 46.19 43.22 1kfh s LEU 42 CO -0.02 -0.62 0.25 0.61 1.01 0.00 0.00 176.35 177.59 1kfh n GLY 43 N 4.71 2.87 3.23 -3.19 0.00 -0.22 -0.71 105.19 111.88 1kfh n GLY 43 Ca -0.01 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.57 -1.92 -1.19 0.00 0.00 -0.62 -5.00 121.76 112.46 1kfh s ALA 45 Ca 0.08 1.32 0.20 0.00 0.00 0.00 0.00 51.96 53.56 1kfh s ALA 45 Cb -0.08 -0.05 0.93 0.00 0.00 0.00 0.00 23.12 23.92 1kfh s ALA 45 CO -0.00 -0.56 1.64 0.00 0.00 0.00 0.00 175.76 176.84 1kfh n ALA 46 N 0.06 1.98 -2.87 0.00 0.00 -0.29 -0.51 120.51 118.89 1kfh n ALA 46 Ca -0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1kfh n ALA 46 Cb 0.60 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.81 0.28 -0.49 0.00 -4.23 -1.26 -4.52 115.64 102.61 1kfh s THR 47 Ca 0.14 -1.05 -0.29 0.00 -1.18 0.00 0.00 61.69 59.31 1kfh s THR 47 Cb 0.13 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.51 1kfh s THR 47 CO 0.34 -0.50 1.23 0.00 -0.54 0.00 0.00 174.62 175.15 1kfh n PRO 49 N 8.08 1.09 0.00 0.00 -0.04 -1.26 -5.00 135.00 137.86 1kfh n PRO 49 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1kfh n PRO 49 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1kfh n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1kfh n SER 50 N -1.09 0.00 -0.09 3.54 7.64 -1.26 -4.22 113.62 118.14 1kfh n SER 50 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1kfh n SER 50 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1kfh n SER 50 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1kfh n LYS 51 N 0.00 0.00 0.13 1.43 5.02 -1.26 -4.79 118.16 118.69 1kfh n LYS 51 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.47 1kfh n LYS 51 Cb 0.00 -0.02 0.61 0.00 -0.02 0.00 0.00 35.03 35.60 1kfh n LYS 51 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1kfh h LYS 52 N 0.22 0.00 -5.92 1.97 -0.00 -1.73 -2.15 116.57 108.96 1kfh h LYS 52 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 60.65 60.06 1kfh h LYS 52 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 32.17 1kfh h LYS 52 CO 0.03 0.00 1.71 -1.25 -0.00 0.00 0.00 179.45 179.94 1kfh s PRO 53 N -4.35 3.59 0.00 0.07 0.04 -1.26 -3.14 135.00 129.95 1kfh s PRO 53 Ca -0.03 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.56 1kfh s PRO 53 Cb 0.11 -5.41 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1kfh s PRO 53 CO 0.38 -2.47 0.00 2.48 0.04 0.00 0.00 177.00 177.43 1kfh n TYR 54 N 9.53 0.00 -3.65 0.56 4.11 -1.23 -5.10 117.16 121.38 1kfh n TYR 54 Ca 0.42 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.95 1kfh n TYR 54 Cb 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.73 1kfh n TYR 54 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1kfh s GLU 55 N 0.00 4.11 -1.09 -3.48 2.02 -0.81 -4.72 118.70 114.73 1kfh s GLU 55 Ca 0.00 -0.22 -0.19 0.00 0.02 0.00 0.00 54.97 54.58 1kfh s GLU 55 Cb 0.00 -3.51 0.09 0.00 0.10 0.00 0.00 34.13 30.81 1kfh s GLU 55 CO 0.00 0.11 1.43 -2.00 0.02 0.00 0.00 175.26 174.82 1kfh s GLU 56 N 0.91 3.76 -1.04 1.61 2.12 0.81 -4.04 118.70 122.83 1kfh s GLU 56 Ca 0.09 -1.71 -0.12 0.00 0.36 0.00 0.00 54.97 53.58 1kfh s GLU 56 Cb -0.13 -5.24 0.23 0.00 0.26 0.00 0.00 34.13 29.25 1kfh s GLU 56 CO 0.03 -2.04 1.10 0.08 -0.54 0.00 0.00 175.26 173.89 1kfh s VAL 57 N 3.68 5.58 -1.11 3.70 1.01 -1.24 -0.87 120.40 131.14 1kfh s VAL 57 Ca 0.44 -2.84 -0.21 0.00 0.00 0.00 0.00 61.98 59.37 1kfh s VAL 57 Cb -0.01 -4.65 0.06 0.00 0.00 0.00 0.00 36.38 31.78 1kfh s VAL 57 CO -0.04 -1.27 1.54 -0.89 0.00 0.00 0.00 175.10 174.44 1kfh s THR 58 N 0.08 4.00 0.09 3.92 2.01 -0.26 -4.92 115.64 120.56 1kfh s THR 58 Ca 0.30 -1.17 -0.15 0.00 0.31 0.00 0.00 61.69 60.98 1kfh s THR 58 Cb -0.08 -5.10 -0.06 0.00 0.01 0.00 0.00 72.50 67.26 1kfh s THR 58 CO -0.07 -1.96 0.50 0.00 -0.69 0.00 0.00 174.62 172.40 1kfh n SER 61 N 1.56 4.55 -4.47 0.00 3.41 -1.26 0.18 113.62 117.59 1kfh n SER 61 Ca -0.16 -3.19 -0.23 0.00 -0.26 0.00 0.00 58.87 55.03 1kfh n SER 61 Cb 0.56 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.95 2.01 -0.03 6.66 -4.23 -1.26 -4.88 115.64 110.96 1kfh s THR 62 Ca 0.51 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.51 1kfh s THR 62 Cb 0.41 -2.45 -0.08 0.00 1.34 0.00 0.00 72.50 71.71 1kfh s THR 62 CO 0.11 -0.31 2.03 -0.90 -0.54 0.00 0.00 174.62 175.01 1kfh n ASP 63 N -0.64 3.93 -1.24 3.99 5.75 -1.26 -2.51 116.55 124.57 1kfh n ASP 63 Ca -0.05 0.75 -0.16 0.00 -0.01 0.00 0.00 54.79 55.31 1kfh n ASP 63 Cb 0.63 -1.53 -0.07 0.00 -1.03 0.00 0.00 41.12 39.12 1kfh n ASP 63 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1kfh n LYS 64 N 7.78 -1.13 0.29 0.11 5.02 0.99 -4.90 118.16 126.32 1kfh n LYS 64 Ca 0.23 1.07 0.18 0.00 -2.02 0.00 0.00 58.31 57.76 1kfh n LYS 64 Cb 0.41 -5.25 0.79 0.00 -0.02 0.00 0.00 35.03 30.96 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 -3.16 5.81 -4.74 0.00 6.94 -1.26 -4.92 115.26 113.93 1kfh n ASN 66 Ca -0.00 -3.18 -0.41 0.00 -0.02 0.00 0.00 54.58 50.96 1kfh n ASN 66 Cb 0.26 -1.37 -0.04 0.00 -2.36 0.00 0.00 39.78 36.27 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 -1.45 4.54 -0.00 -0.53 0.04 -1.26 -4.51 135.00 131.84 1kfh s PRO 67 Ca 0.33 1.80 -0.33 0.00 0.04 0.00 0.00 61.00 62.84 1kfh s PRO 67 Cb -0.02 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 31.15 1kfh s PRO 67 CO 0.01 -0.00 1.85 1.58 0.04 0.00 0.00 177.00 180.47 1kfh n HIS 68 N 2.40 2.40 0.00 0.56 -0.00 -1.26 -4.84 115.22 114.47 1kfh n HIS 68 Ca 0.03 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1kfh n HIS 68 Cb 0.45 -2.68 0.00 0.00 -0.00 0.00 0.00 29.99 27.76 1kfh n HIS 68 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1kfh n PRO 69 N 6.20 0.00 -0.26 1.57 -0.02 -1.26 -0.53 135.00 140.70 1kfh n PRO 69 Ca 0.21 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.86 1kfh n PRO 69 Cb 0.32 0.00 0.33 0.00 -0.02 0.00 0.00 33.50 34.14 1kfh n PRO 69 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1kfh n LYS 70 N -1.83 -0.05 -0.07 -0.52 4.81 -1.26 -1.52 118.16 117.73 1kfh n LYS 70 Ca 0.00 1.11 -0.10 0.00 -0.87 0.00 0.00 58.31 58.45 1kfh n LYS 70 Cb 0.00 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.15 1kfh n LYS 70 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1kfh h GLN 71 N 0.00 0.34 0.00 1.64 7.50 -1.06 -3.39 115.11 120.14 1kfh h GLN 71 Ca 0.56 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.66 1kfh h GLN 71 Cb 1.33 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.79 1kfh h GLN 71 CO -0.66 0.33 -0.09 0.54 -1.50 0.00 0.00 178.83 177.45 1kfh n ARG 72 N -4.84 0.00 -1.55 1.46 1.74 -0.64 -4.91 116.66 107.91 1kfh n ARG 72 Ca -0.03 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 1kfh n ARG 72 Cb 0.09 -0.10 -0.01 0.00 -1.02 0.00 0.00 32.46 31.42 1kfh n ARG 72 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1kfh n PRO 73 N -3.08 2.94 0.00 5.56 -0.04 -0.57 -5.07 135.00 134.73 1kfh n PRO 73 Ca 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1kfh n PRO 73 Cb 0.04 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.39 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87