#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 4.14 0.09 9.51 1.01 -1.26 -0.20 120.40 133.69 1kfh s VAL 2 Ca 0.00 1.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 1kfh s VAL 2 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1kfh s VAL 2 CO 0.00 0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.61 1kfh s HIS 4 N -3.67 2.05 -0.21 0.00 3.76 -1.26 -0.54 115.29 115.43 1kfh s HIS 4 Ca 0.03 0.55 -0.03 0.00 -0.15 0.00 0.00 55.06 55.46 1kfh s HIS 4 Cb 0.04 -4.02 -0.01 0.00 1.11 0.00 0.00 32.58 29.69 1kfh s HIS 4 CO -0.10 -2.94 -0.06 0.95 -0.85 0.00 0.00 174.74 171.74 1kfh s THR 5 N 5.50 3.33 -0.15 1.30 -4.23 0.17 -2.81 115.64 118.76 1kfh s THR 5 Ca 0.73 -0.51 0.30 0.00 -1.18 0.00 0.00 61.69 61.02 1kfh s THR 5 Cb -0.24 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.44 1kfh s THR 5 CO 0.30 0.44 1.87 0.74 -0.54 0.00 0.00 174.62 177.43 1kfh h THR 6 N 5.65 0.00 -0.58 3.99 2.02 -0.83 -2.90 112.91 120.26 1kfh h THR 6 Ca -0.40 -0.50 0.08 0.00 0.77 0.00 0.00 66.41 66.37 1kfh h THR 6 Cb 1.17 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 1kfh h THR 6 CO 0.60 0.00 0.39 0.00 0.37 0.00 0.00 175.52 176.88 1kfh h ALA 7 N 2.09 1.96 -2.04 6.16 0.00 -1.93 -3.19 119.26 122.30 1kfh h ALA 7 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 1kfh h ALA 7 Cb 0.55 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.09 1kfh h ALA 7 CO 0.00 -0.08 0.23 0.95 0.00 0.00 0.00 179.25 180.36 1kfh s THR 8 N -5.42 4.71 0.44 0.00 -4.23 -1.21 -4.98 115.64 104.96 1kfh s THR 8 Ca -0.08 -0.02 0.22 0.00 -1.18 0.00 0.00 61.69 60.64 1kfh s THR 8 Cb 0.19 -4.33 0.25 0.00 1.34 0.00 0.00 72.50 69.95 1kfh s THR 8 CO 0.75 -0.81 2.05 0.77 -0.54 0.00 0.00 174.62 176.84 1kfh h SER 9 N 9.04 0.00 -0.88 3.99 4.64 -1.82 -2.00 113.55 126.52 1kfh h SER 9 Ca -0.26 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.47 1kfh h SER 9 Cb 1.09 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.10 1kfh h SER 9 CO 0.97 0.14 1.77 -2.16 -0.87 0.00 0.00 176.83 176.68 1kfh s PRO 10 N -4.39 3.60 -0.33 4.77 0.04 -1.26 -4.95 135.00 132.47 1kfh s PRO 10 Ca -0.03 -1.53 -0.39 0.00 0.04 0.00 0.00 61.00 59.08 1kfh s PRO 10 Cb 0.14 -5.42 -0.15 0.00 0.04 0.00 0.00 34.50 29.11 1kfh s PRO 10 CO 0.63 -2.53 1.92 -0.89 0.04 0.00 0.00 177.00 176.17 1kfh n ILE 11 N 6.81 0.23 -4.10 0.56 5.41 -0.75 -4.94 119.36 122.59 1kfh n ILE 11 Ca 0.43 -0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.96 1kfh n ILE 11 Cb 0.48 -1.25 -0.11 0.00 -0.71 0.00 0.00 39.64 38.05 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 4.95 0.92 -0.97 4.38 1.04 -1.10 -4.92 113.70 118.00 1kfh s SER 12 Ca 1.04 -0.72 -0.20 0.00 0.48 0.00 0.00 55.95 56.55 1kfh s SER 12 Cb -1.07 0.06 0.10 0.00 0.10 0.00 0.00 66.02 65.22 1kfh s SER 12 CO 0.61 -0.31 1.25 0.00 0.98 0.00 0.00 173.24 175.77 1kfh s ALA 13 N -2.26 3.14 0.14 5.32 0.00 -1.26 -0.66 121.76 126.19 1kfh s ALA 13 Ca -0.02 -2.60 0.09 0.00 0.00 0.00 0.00 51.96 49.44 1kfh s ALA 13 Cb -0.04 -4.23 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 1kfh s ALA 13 CO -0.02 -3.21 -0.21 0.14 0.00 0.00 0.00 175.76 172.46 1kfh s VAL 14 N 3.51 1.92 -0.08 0.00 -7.23 0.30 -4.75 120.40 114.06 1kfh s VAL 14 Ca 0.38 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1kfh s VAL 14 Cb -0.03 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1kfh s VAL 14 CO -0.09 -0.13 1.54 0.42 -0.31 0.00 0.00 175.10 176.53 1kfh s THR 15 N -1.51 3.77 -0.15 5.32 -4.23 -1.26 -0.71 115.64 116.87 1kfh s THR 15 Ca 0.13 0.94 -0.19 0.00 -1.18 0.00 0.00 61.69 61.39 1kfh s THR 15 Cb -0.08 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 1kfh s THR 15 CO 0.06 -0.08 0.52 0.00 -0.54 0.00 0.00 174.62 174.58 1kfh s PRO 17 N 1.11 2.55 0.03 0.00 0.04 -1.25 -4.37 135.00 133.10 1kfh s PRO 17 Ca 0.26 1.25 -0.36 0.00 0.04 0.00 0.00 61.00 62.19 1kfh s PRO 17 Cb -0.15 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 1kfh s PRO 17 CO 0.10 -1.43 1.56 -2.30 0.04 0.00 0.00 177.00 174.98 1kfh n PRO 18 N -3.01 1.63 0.00 0.56 -0.02 -1.26 -0.55 135.00 132.35 1kfh n PRO 18 Ca 0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1kfh n PRO 18 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 3.36 2.52 2.49 -1.23 0.00 -1.26 -5.00 105.19 106.07 1kfh n GLY 19 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1kfh n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfh s GLU 20 N -0.31 0.59 0.00 1.61 2.02 0.29 -0.92 118.70 121.98 1kfh s GLU 20 Ca 0.00 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1kfh s GLU 20 Cb 0.00 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.84 1kfh s GLU 20 CO 0.00 -1.19 0.00 0.09 0.02 0.00 0.00 175.26 174.18 1kfh n ASN 21 N 4.09 3.91 -4.58 -0.19 4.13 -0.60 -3.94 115.26 118.07 1kfh n ASN 21 Ca 0.10 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.03 1kfh n ASN 21 Cb 0.37 0.65 -0.11 0.00 -1.54 0.00 0.00 39.78 39.15 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 -2.68 3.15 -0.07 3.41 1.43 0.13 -4.75 118.68 119.30 1kfh s LEU 22 Ca 0.00 -0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 1kfh s LEU 22 Cb 0.00 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1kfh s LEU 22 CO 0.00 0.32 0.57 0.00 0.23 0.00 0.00 176.35 177.48 1kfh s TYR 24 N 0.39 2.53 -0.49 0.00 -0.85 0.56 -0.50 117.35 119.00 1kfh s TYR 24 Ca 0.31 -0.27 -0.03 0.00 -0.52 0.00 0.00 57.07 56.56 1kfh s TYR 24 Cb -0.17 -1.36 0.13 0.00 0.38 0.00 0.00 41.96 40.94 1kfh s TYR 24 CO 0.15 0.37 0.30 1.03 -1.52 0.00 0.00 175.55 175.87 1kfh s ARG 25 N -2.04 2.23 -0.57 -3.49 1.81 0.42 -2.90 118.95 114.41 1kfh s ARG 25 Ca 0.17 -2.05 -0.03 0.00 -1.72 0.00 0.00 55.73 52.10 1kfh s ARG 25 Cb -0.11 -3.67 0.15 0.00 -0.45 0.00 0.00 34.95 30.88 1kfh s ARG 25 CO 0.09 -1.12 0.38 0.15 -0.68 0.00 0.00 175.30 174.13 1kfh s LYS 26 N 0.77 2.44 -0.18 3.54 1.02 0.01 -1.33 119.74 126.02 1kfh s LYS 26 Ca 0.11 -2.31 0.01 0.00 0.02 0.00 0.00 55.97 53.80 1kfh s LYS 26 Cb -0.22 -3.72 0.02 0.00 -0.52 0.00 0.00 37.83 33.38 1kfh s LYS 26 CO -0.04 -1.15 -0.18 0.00 -0.92 0.00 0.00 175.35 173.06 1kfh s MET 27 N 0.33 3.04 0.04 1.68 0.23 -0.39 -0.10 119.30 124.12 1kfh s MET 27 Ca 0.14 -0.81 0.04 0.00 -1.03 0.00 0.00 55.69 54.03 1kfh s MET 27 Cb -0.21 -2.61 -0.02 0.00 -1.53 0.00 0.00 34.83 30.45 1kfh s MET 27 CO -0.04 -0.20 -0.12 1.67 -2.03 0.00 0.00 175.02 174.31 1kfh s TRP 28 N 1.29 1.01 -0.18 3.16 -2.14 -0.28 -0.17 118.94 121.63 1kfh s TRP 28 Ca 0.04 -0.37 -0.29 0.00 2.66 0.00 0.00 56.10 58.14 1kfh s TRP 28 Cb -0.13 -0.59 -0.01 0.00 -3.10 0.00 0.00 33.47 29.63 1kfh s TRP 28 CO -0.11 0.01 1.24 0.00 -2.66 0.00 0.00 176.95 175.43 1kfh n ASP 30 N 6.64 0.00 -1.59 0.00 5.68 -0.81 -4.89 116.55 121.58 1kfh n ASP 30 Ca 0.14 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 1kfh n ASP 30 Cb 0.45 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.92 0.00 -0.64 2.12 0.00 -1.15 -4.93 120.51 114.99 1kfh n ALA 31 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1kfh n ALA 31 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 0.60 0.00 0.00 3.01 -1.04 -4.72 117.46 115.31 1kfh n PHE 32 Ca 0.00 -1.34 0.00 0.00 1.01 0.00 0.00 57.45 57.12 1kfh n PHE 32 Cb 0.00 -1.34 0.00 0.00 -0.01 0.00 0.00 39.48 38.13 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1kfh h SER 34 N 0.00 0.00 0.00 0.00 4.64 -1.90 -1.59 113.55 114.71 1kfh h SER 34 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1kfh h SER 34 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1kfh h SER 34 CO 0.00 0.00 -1.76 -1.54 -0.87 0.00 0.00 176.83 172.66 1kfh n SER 35 N -4.20 0.98 -3.06 4.97 3.41 -0.07 -4.94 113.62 110.71 1kfh n SER 35 Ca 0.16 0.17 -0.30 0.00 -0.26 0.00 0.00 58.87 58.64 1kfh n SER 35 Cb 0.90 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 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 -3.62 3.70 -0.66 4.33 5.12 -0.19 -5.02 116.66 120.32 1kfh n ARG 36 Ca -0.27 -4.79 0.00 0.00 -1.93 0.00 0.00 57.85 50.86 1kfh n ARG 36 Cb 0.69 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.70 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 -0.23 -3.66 3.09 -0.13 0.00 -0.61 -2.22 105.19 101.43 1kfh n GLY 37 Ca 0.35 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 1kfh n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kfh s LYS 38 N -5.07 0.88 -0.73 1.61 0.00 -1.26 -1.91 119.74 113.25 1kfh s LYS 38 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 55.97 55.24 1kfh s LYS 38 Cb 0.00 -0.86 0.14 0.00 0.00 0.00 0.00 37.83 37.11 1kfh s LYS 38 CO 0.00 0.22 0.83 0.08 0.00 0.00 0.00 175.35 176.48 1kfh s VAL 39 N -0.54 4.96 -0.41 1.79 1.01 0.10 -4.91 120.40 122.40 1kfh s VAL 39 Ca 0.02 -1.45 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 1kfh s VAL 39 Cb -0.06 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.78 1kfh s VAL 39 CO 0.00 -1.21 0.80 0.68 0.00 0.00 0.00 175.10 175.37 1kfh s VAL 40 N 2.16 4.67 -0.31 2.92 -7.23 -1.26 -1.12 120.40 120.22 1kfh s VAL 40 Ca 0.18 0.66 0.02 0.00 -1.81 0.00 0.00 61.98 61.03 1kfh s VAL 40 Cb -0.16 -4.28 0.08 0.00 0.56 0.00 0.00 36.38 32.57 1kfh s VAL 40 CO -0.01 -0.61 -0.00 -0.70 -0.31 0.00 0.00 175.10 173.47 1kfh s GLU 41 N 3.26 2.02 -0.70 4.82 2.12 0.85 -5.00 118.70 126.07 1kfh s GLU 41 Ca 0.31 -1.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.07 1kfh s GLU 41 Cb -0.12 -3.13 0.18 0.00 0.26 0.00 0.00 34.13 31.32 1kfh s GLU 41 CO 0.21 -0.75 0.53 -0.51 -0.54 0.00 0.00 175.26 174.20 1kfh s LEU 42 N 1.08 5.29 0.00 2.70 1.02 -1.26 -0.81 118.68 126.70 1kfh s LEU 42 Ca -0.00 -3.15 0.00 0.00 0.02 0.00 0.00 54.13 51.00 1kfh s LEU 42 Cb -0.20 -1.86 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1kfh s LEU 42 CO -0.05 -0.30 0.00 0.61 0.02 0.00 0.00 176.35 176.63 1kfh n GLY 43 N 3.08 5.15 3.00 -3.19 0.00 -1.12 -0.12 105.19 111.99 1kfh n GLY 43 Ca 0.12 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.73 -0.42 -0.41 0.00 0.00 -0.07 -4.75 121.76 115.38 1kfh s ALA 45 Ca -0.04 0.23 0.22 0.00 0.00 0.00 0.00 51.96 52.37 1kfh s ALA 45 Cb -0.06 -0.11 1.01 0.00 0.00 0.00 0.00 23.12 23.97 1kfh s ALA 45 CO 0.00 -0.15 1.67 0.00 0.00 0.00 0.00 175.76 177.28 1kfh n ALA 46 N 2.24 1.42 -3.61 0.00 0.00 -0.09 0.20 120.51 120.66 1kfh n ALA 46 Ca -0.17 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1kfh n ALA 46 Cb 0.57 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 -3.39 -0.00 0.02 0.00 2.01 -1.26 -4.60 115.64 108.43 1kfh s THR 47 Ca 0.02 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1kfh s THR 47 Cb 0.08 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1kfh s THR 47 CO 0.31 0.00 0.88 0.00 -0.69 0.00 0.00 174.62 175.11 1kfh s PRO 49 N 0.49 4.32 -0.19 0.00 0.04 -1.26 -5.02 135.00 133.38 1kfh s PRO 49 Ca 0.45 1.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1kfh s PRO 49 Cb -0.21 -2.77 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 1kfh s PRO 49 CO 0.25 0.31 1.99 -1.54 0.04 0.00 0.00 177.00 178.05 1kfh s SER 50 N -1.73 5.89 0.00 6.66 1.04 -1.26 -4.64 113.70 119.66 1kfh s SER 50 Ca 0.47 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1kfh s SER 50 Cb -0.16 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1kfh s SER 50 CO 0.21 -1.61 0.00 0.29 0.98 0.00 0.00 173.24 173.11 1kfh n LYS 51 N 8.26 0.00 -1.83 4.02 4.01 -1.26 -4.75 118.16 126.61 1kfh n LYS 51 Ca 0.25 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.65 1kfh n LYS 51 Cb 0.45 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.94 1kfh n LYS 51 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1kfh s LYS 52 N 0.00 2.76 -0.85 1.97 1.02 -1.24 -4.71 119.74 118.69 1kfh s LYS 52 Ca 0.00 1.27 -0.21 0.00 0.02 0.00 0.00 55.97 57.05 1kfh s LYS 52 Cb 0.00 -4.39 -0.21 0.00 -0.52 0.00 0.00 37.83 32.71 1kfh s LYS 52 CO 0.00 -2.54 2.37 -2.30 -0.92 0.00 0.00 175.35 171.95 1kfh n PRO 53 N 8.86 0.36 0.00 -1.68 -0.02 -1.26 0.05 135.00 141.32 1kfh n PRO 53 Ca 0.27 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1kfh n PRO 53 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1kfh n PRO 53 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1kfh n TYR 54 N 12.66 0.00 -3.69 6.00 4.11 -1.26 -5.14 117.16 129.84 1kfh n TYR 54 Ca 0.55 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 58.11 1kfh n TYR 54 Cb 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.58 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 3.65 -0.55 -3.48 2.02 0.11 -4.23 118.70 116.21 1kfh s GLU 55 Ca 0.00 -0.00 -0.17 0.00 0.02 0.00 0.00 54.97 54.82 1kfh s GLU 55 Cb 0.00 -3.01 0.13 0.00 0.10 0.00 0.00 34.13 31.34 1kfh s GLU 55 CO 0.00 0.59 0.54 -1.21 0.02 0.00 0.00 175.26 175.19 1kfh s GLU 56 N -1.98 3.00 -0.21 1.61 2.02 0.76 -3.69 118.70 120.21 1kfh s GLU 56 Ca 0.32 -1.64 -0.06 0.00 0.02 0.00 0.00 54.97 53.61 1kfh s GLU 56 Cb -0.13 -4.29 -0.03 0.00 0.10 0.00 0.00 34.13 29.78 1kfh s GLU 56 CO 0.19 -1.37 0.02 0.08 0.02 0.00 0.00 175.26 174.20 1kfh s VAL 57 N 1.80 4.09 -0.07 2.63 1.01 -1.26 -1.26 120.40 127.33 1kfh s VAL 57 Ca 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1kfh s VAL 57 Cb -0.29 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1kfh s VAL 57 CO 0.04 0.41 0.17 0.28 0.00 0.00 0.00 175.10 176.00 1kfh s THR 58 N 1.06 -0.01 0.04 3.92 -1.32 -0.44 -4.54 115.64 114.35 1kfh s THR 58 Ca 0.03 0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.57 1kfh s THR 58 Cb -0.14 -0.25 -0.02 0.00 -1.51 0.00 0.00 72.50 70.57 1kfh s THR 58 CO 0.02 0.02 -0.08 0.00 -2.21 0.00 0.00 174.62 172.37 1kfh n SER 61 N 2.85 5.74 -4.33 0.00 3.41 -1.26 0.03 113.62 120.06 1kfh n SER 61 Ca -0.14 -3.71 -0.19 0.00 -0.26 0.00 0.00 58.87 54.57 1kfh n SER 61 Cb 0.58 -0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 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 -4.11 1.73 -0.09 6.66 -4.23 -1.26 -4.99 115.64 109.35 1kfh s THR 62 Ca 0.60 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.74 1kfh s THR 62 Cb 0.49 -1.93 -0.08 0.00 1.34 0.00 0.00 72.50 72.32 1kfh s THR 62 CO 0.04 -0.49 2.06 0.47 -0.54 0.00 0.00 174.62 176.16 1kfh n ASP 63 N -0.07 3.66 -2.75 3.99 8.00 -1.26 -2.47 116.55 125.65 1kfh n ASP 63 Ca -0.10 0.65 -0.19 0.00 0.71 0.00 0.00 54.79 55.86 1kfh n ASP 63 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1kfh n ASP 63 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1kfh n LYS 64 N 7.86 -2.95 0.00 -1.24 2.85 0.11 -4.88 118.16 119.90 1kfh n LYS 64 Ca 0.25 0.73 0.07 0.00 -1.05 0.00 0.00 58.31 58.31 1kfh n LYS 64 Cb 0.40 -5.43 0.33 0.00 -0.65 0.00 0.00 35.03 29.68 1kfh n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kfh n ASN 66 N -1.49 5.61 -4.60 0.00 6.94 -1.26 -4.93 115.26 115.52 1kfh n ASN 66 Ca 0.04 -3.38 -0.43 0.00 -0.02 0.00 0.00 54.58 50.79 1kfh n ASN 66 Cb 0.17 -1.12 -0.03 0.00 -2.36 0.00 0.00 39.78 36.44 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 -2.53 3.24 0.12 -0.53 0.04 -1.25 -4.47 135.00 129.61 1kfh s PRO 67 Ca 0.33 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1kfh s PRO 67 Cb 0.05 -4.32 -0.07 0.00 0.04 0.00 0.00 34.50 30.21 1kfh s PRO 67 CO 0.05 -1.98 1.16 -1.58 0.04 0.00 0.00 177.00 174.69 1kfh s HIS 68 N 7.75 3.50 -1.21 0.56 2.46 -1.26 -4.98 115.29 122.11 1kfh s HIS 68 Ca 0.95 1.44 -0.21 0.00 0.47 0.00 0.00 55.06 57.70 1kfh s HIS 68 Cb -0.31 -3.36 -0.03 0.00 -0.13 0.00 0.00 32.58 28.75 1kfh s HIS 68 CO 0.35 -0.99 1.86 -1.25 -2.47 0.00 0.00 174.74 172.24 1kfh s PRO 69 N 0.36 3.02 -0.09 2.88 0.04 -1.26 -4.88 135.00 135.07 1kfh s PRO 69 Ca 0.54 -1.42 0.01 0.00 0.04 0.00 0.00 61.00 60.18 1kfh s PRO 69 Cb -0.30 -5.34 0.02 0.00 0.04 0.00 0.00 34.50 28.92 1kfh s PRO 69 CO 0.32 -3.35 -0.11 0.21 0.04 0.00 0.00 177.00 174.11 1kfh s LYS 70 N 5.70 1.69 -1.31 4.56 2.20 -1.26 -5.07 119.74 126.25 1kfh s LYS 70 Ca 0.63 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.71 1kfh s LYS 70 Cb 0.01 -1.53 0.01 0.00 -1.51 0.00 0.00 37.83 34.81 1kfh s LYS 70 CO 0.11 -0.10 2.08 0.94 -0.36 0.00 0.00 175.35 178.02 1kfh n GLN 71 N 4.30 2.65 -0.16 4.03 0.00 -1.26 -4.78 117.38 122.16 1kfh n GLN 71 Ca -0.19 -2.60 -0.06 0.00 -0.00 0.00 0.00 57.00 54.15 1kfh n GLN 71 Cb 0.51 -3.29 0.11 0.00 0.00 0.00 0.00 30.24 27.57 1kfh n GLN 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1kfh h ARG 72 N 6.73 0.92 -2.54 3.69 3.08 -1.97 -2.48 114.38 121.81 1kfh h ARG 72 Ca 0.51 -0.26 -0.35 0.00 0.07 0.00 0.00 59.98 59.96 1kfh h ARG 72 Cb 0.70 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1kfh h ARG 72 CO 1.80 0.90 1.32 -0.35 -1.07 0.00 0.00 179.97 182.57 1kfh n PRO 73 N -4.20 2.39 0.00 0.04 -0.04 -1.26 -5.31 135.00 126.62 1kfh n PRO 73 Ca 0.03 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1kfh n PRO 73 Cb 0.31 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87