#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 4.27 0.22 9.51 1.01 -1.25 -0.42 120.40 133.73 1kfh s VAL 2 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1kfh s VAL 2 Cb 0.00 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.43 1kfh s VAL 2 CO 0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 175.10 173.27 1kfh s HIS 4 N -3.06 2.96 -0.13 0.00 3.76 -1.26 -0.21 115.29 117.35 1kfh s HIS 4 Ca 0.24 0.88 0.01 0.00 -0.15 0.00 0.00 55.06 56.04 1kfh s HIS 4 Cb 0.01 -3.64 -0.01 0.00 1.11 0.00 0.00 32.58 30.05 1kfh s HIS 4 CO 0.07 -2.32 -0.16 -0.08 -0.85 0.00 0.00 174.74 171.41 1kfh s THR 5 N 2.12 2.77 -0.19 1.30 -1.32 0.42 -2.14 115.64 118.61 1kfh s THR 5 Ca 0.63 -0.76 0.25 0.00 -1.21 0.00 0.00 61.69 60.61 1kfh s THR 5 Cb -0.32 -2.14 0.31 0.00 -1.51 0.00 0.00 72.50 68.84 1kfh s THR 5 CO 0.27 0.53 1.72 0.71 -2.21 0.00 0.00 174.62 175.64 1kfh h THR 6 N 5.51 0.16 -0.13 5.08 1.35 -1.07 -2.83 112.91 120.99 1kfh h THR 6 Ca -0.25 -1.01 0.03 0.00 -0.55 0.00 0.00 66.41 64.63 1kfh h THR 6 Cb 1.22 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 1kfh h THR 6 CO 0.54 0.08 0.09 0.00 -0.25 0.00 0.00 175.52 175.98 1kfh h ALA 7 N 1.92 2.08 -2.34 6.62 0.00 -1.96 -3.18 119.26 122.40 1kfh h ALA 7 Ca -0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1kfh h ALA 7 Cb 0.87 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.49 1kfh h ALA 7 CO 0.01 -0.11 -0.11 0.95 0.00 0.00 0.00 179.25 179.99 1kfh s THR 8 N -5.09 5.02 -0.26 0.00 -4.23 -1.24 -5.06 115.64 104.77 1kfh s THR 8 Ca -0.05 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.30 1kfh s THR 8 Cb 0.18 -4.06 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1kfh s THR 8 CO 0.69 -0.43 -0.03 -0.44 -0.54 0.00 0.00 174.62 173.86 1kfh s SER 9 N 1.85 4.49 0.59 3.99 0.01 -1.20 -2.36 113.70 121.07 1kfh s SER 9 Ca 0.15 -0.86 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 1kfh s SER 9 Cb -0.16 -1.70 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 1kfh s SER 9 CO 0.15 -0.15 1.27 -2.84 0.41 0.00 0.00 173.24 172.09 1kfh s PRO 10 N 1.35 2.91 0.27 12.44 0.02 -1.26 -5.12 135.00 145.61 1kfh s PRO 10 Ca 0.00 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.73 1kfh s PRO 10 Cb -0.17 -2.01 -0.13 0.00 0.02 0.00 0.00 34.50 32.21 1kfh s PRO 10 CO -0.03 -1.30 1.36 -0.89 -0.33 0.00 0.00 177.00 175.81 1kfh n ILE 11 N -1.50 1.27 -4.15 2.83 5.41 -0.99 -5.01 119.36 117.22 1kfh n ILE 11 Ca 0.13 -0.32 -0.15 0.00 1.00 0.00 0.00 62.75 63.42 1kfh n ILE 11 Cb 0.48 -1.49 -0.11 0.00 -0.71 0.00 0.00 39.64 37.81 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 0.10 1.36 -0.50 4.38 1.04 -1.07 -4.94 113.70 114.07 1kfh s SER 12 Ca 0.64 -0.73 -0.20 0.00 0.48 0.00 0.00 55.95 56.14 1kfh s SER 12 Cb -0.63 0.01 0.05 0.00 0.10 0.00 0.00 66.02 65.55 1kfh s SER 12 CO 0.53 -0.23 0.66 0.00 0.98 0.00 0.00 173.24 175.19 1kfh s ALA 13 N -2.07 3.35 -0.03 5.32 0.00 -1.26 -0.43 121.76 126.63 1kfh s ALA 13 Ca 0.01 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 1kfh s ALA 13 Cb -0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1kfh s ALA 13 CO 0.00 -2.00 0.05 0.14 0.00 0.00 0.00 175.76 173.94 1kfh s VAL 14 N 2.81 4.53 -0.89 0.00 -7.23 0.70 -4.62 120.40 115.70 1kfh s VAL 14 Ca 0.18 -0.38 -0.25 0.00 -1.81 0.00 0.00 61.98 59.73 1kfh s VAL 14 Cb -0.17 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.77 1kfh s VAL 14 CO 0.14 0.44 1.54 -0.89 -0.31 0.00 0.00 175.10 176.02 1kfh s THR 15 N -1.08 3.73 -0.26 5.32 2.01 -1.26 -0.46 115.64 123.64 1kfh s THR 15 Ca 0.19 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 1kfh s THR 15 Cb -0.12 -4.72 -0.02 0.00 0.01 0.00 0.00 72.50 67.65 1kfh s THR 15 CO 0.09 -1.64 1.65 0.00 -0.69 0.00 0.00 174.62 174.03 1kfh n PRO 17 N 7.89 -1.25 -1.68 0.00 -0.02 -1.26 -1.59 135.00 137.08 1kfh n PRO 17 Ca 0.20 -0.32 -0.49 0.00 -2.02 0.00 0.00 63.50 60.87 1kfh n PRO 17 Cb 0.46 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 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 -4.13 2.06 0.00 0.52 -0.02 -1.26 -1.23 135.00 130.94 1kfh n PRO 18 Ca 0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1kfh n PRO 18 Cb 0.53 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 4.43 0.93 2.72 -1.23 0.00 -1.26 -4.99 105.19 105.79 1kfh n GLY 19 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.38 1.51 0.00 1.61 4.71 -0.36 -1.86 120.64 124.87 1kfh n GLU 20 Ca 0.00 -3.42 0.11 0.00 -0.01 0.00 0.00 57.16 53.84 1kfh n GLU 20 Cb 0.00 -1.45 0.07 0.00 -1.01 0.00 0.00 31.44 29.05 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 -0.32 2.66 -4.45 1.62 4.13 -1.00 -3.77 115.26 114.14 1kfh n ASN 21 Ca 0.10 -1.83 -0.36 0.00 1.68 0.00 0.00 54.58 54.17 1kfh n ASN 21 Cb 0.81 0.10 -0.13 0.00 -1.54 0.00 0.00 39.78 39.02 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 -1.95 3.42 -0.09 3.41 1.43 0.11 -4.23 118.68 120.78 1kfh s LEU 22 Ca 0.24 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 1kfh s LEU 22 Cb 0.18 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1kfh s LEU 22 CO 0.33 -0.03 0.44 0.00 0.23 0.00 0.00 176.35 177.32 1kfh s TYR 24 N 0.19 1.64 -0.53 0.00 -0.85 0.71 -0.69 117.35 117.81 1kfh s TYR 24 Ca 0.24 -0.38 -0.05 0.00 -0.52 0.00 0.00 57.07 56.36 1kfh s TYR 24 Cb -0.15 -0.96 0.14 0.00 0.38 0.00 0.00 41.96 41.37 1kfh s TYR 24 CO 0.10 0.10 0.36 0.50 -1.52 0.00 0.00 175.55 175.09 1kfh s ARG 25 N -1.33 2.41 -0.76 -3.49 3.52 -0.19 -2.02 118.95 117.10 1kfh s ARG 25 Ca 0.05 -2.11 -0.13 0.00 -0.13 0.00 0.00 55.73 53.41 1kfh s ARG 25 Cb -0.09 -3.77 0.20 0.00 -1.56 0.00 0.00 34.95 29.73 1kfh s ARG 25 CO 0.02 -1.15 0.69 0.15 -0.81 0.00 0.00 175.30 174.20 1kfh s LYS 26 N 0.69 3.40 -0.08 5.12 1.02 0.54 -1.44 119.74 128.99 1kfh s LYS 26 Ca 0.11 -2.33 0.03 0.00 0.02 0.00 0.00 55.97 53.81 1kfh s LYS 26 Cb -0.22 -4.35 -0.02 0.00 -0.52 0.00 0.00 37.83 32.73 1kfh s LYS 26 CO -0.03 -1.29 -0.18 0.00 -0.92 0.00 0.00 175.35 172.93 1kfh s MET 27 N 0.41 2.88 -0.01 1.68 0.23 -0.38 0.21 119.30 124.31 1kfh s MET 27 Ca 0.15 -0.76 -0.03 0.00 -1.03 0.00 0.00 55.69 54.01 1kfh s MET 27 Cb -0.15 -2.41 -0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1kfh s MET 27 CO -0.06 0.37 0.07 1.67 -2.03 0.00 0.00 175.02 175.04 1kfh s TRP 28 N -0.10 0.03 -0.57 3.16 -2.14 0.69 0.28 118.94 120.28 1kfh s TRP 28 Ca -0.03 -0.05 -0.06 0.00 2.66 0.00 0.00 56.10 58.62 1kfh s TRP 28 Cb -0.14 -0.04 -0.06 0.00 -3.10 0.00 0.00 33.47 30.13 1kfh s TRP 28 CO 0.04 -0.14 3.03 0.00 -2.66 0.00 0.00 176.95 177.22 1kfh n ASP 30 N 1.88 0.00 0.09 0.00 5.75 -1.20 -0.70 116.55 122.38 1kfh n ASP 30 Ca 0.53 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 55.09 1kfh n ASP 30 Cb 0.59 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.55 1kfh n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kfh h ALA 31 N 0.00 0.00 -0.62 2.12 0.00 -1.87 -3.46 119.26 115.42 1kfh h ALA 31 Ca 0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 54.91 53.94 1kfh h ALA 31 Cb 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 17.79 17.74 1kfh h ALA 31 CO 0.00 0.70 -0.51 0.34 0.00 0.00 0.00 179.25 179.78 1kfh n PHE 32 N -3.79 -3.52 -0.36 0.00 7.35 -0.70 -5.06 117.46 111.39 1kfh n PHE 32 Ca -0.14 -1.61 0.27 0.00 -0.76 0.00 0.00 57.45 55.22 1kfh n PHE 32 Cb 0.99 1.47 0.53 0.00 0.35 0.00 0.00 39.48 42.81 1kfh n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kfh h SER 34 N 0.27 0.00 0.00 0.00 4.64 -1.88 -1.18 113.55 115.40 1kfh h SER 34 Ca 0.73 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.77 1kfh h SER 34 Cb 1.90 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.95 1kfh h SER 34 CO -0.50 0.00 -1.96 -1.54 -0.87 0.00 0.00 176.83 171.96 1kfh n SER 35 N -4.01 1.52 -1.66 4.97 3.41 -0.41 -4.90 113.62 112.53 1kfh n SER 35 Ca -0.01 0.15 -0.17 0.00 -0.26 0.00 0.00 58.87 58.59 1kfh n SER 35 Cb 0.20 -0.46 0.08 0.00 -0.26 0.00 0.00 64.21 63.77 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 -3.62 2.99 -0.38 4.33 1.85 0.10 -5.10 116.66 116.83 1kfh n ARG 36 Ca -0.33 -3.86 0.02 0.00 -1.00 0.00 0.00 57.85 52.67 1kfh n ARG 36 Cb 0.76 -2.10 -0.01 0.00 -1.05 0.00 0.00 32.46 30.06 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 -0.84 -3.01 3.58 2.89 0.00 -0.45 -4.69 105.19 102.67 1kfh n GLY 37 Ca 0.39 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.99 3.15 -0.05 1.61 2.36 -1.26 -3.25 119.74 118.31 1kfh s LYS 38 Ca 0.00 -0.50 0.02 0.00 -2.55 0.00 0.00 55.97 52.94 1kfh s LYS 38 Cb 0.00 -2.76 -0.03 0.00 -1.05 0.00 0.00 37.83 33.99 1kfh s LYS 38 CO 0.00 0.52 -0.10 0.08 1.55 0.00 0.00 175.35 177.40 1kfh s VAL 39 N -0.39 3.43 -0.03 4.02 1.01 0.22 -4.95 120.40 123.70 1kfh s VAL 39 Ca 0.06 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1kfh s VAL 39 Cb -0.12 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1kfh s VAL 39 CO 0.02 0.56 -0.09 0.54 0.00 0.00 0.00 175.10 176.14 1kfh s VAL 40 N -0.81 0.78 -0.24 2.92 0.11 -1.26 -0.22 120.40 121.67 1kfh s VAL 40 Ca 0.13 -0.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1kfh s VAL 40 Cb -0.11 -0.71 0.07 0.00 -1.53 0.00 0.00 36.38 34.10 1kfh s VAL 40 CO 0.02 0.25 0.03 -0.70 -3.33 0.00 0.00 175.10 171.38 1kfh s GLU 41 N 0.37 0.92 -0.34 1.54 2.56 0.13 -4.98 118.70 118.89 1kfh s GLU 41 Ca -0.06 -0.79 -0.13 0.00 0.00 0.00 0.00 54.97 53.99 1kfh s GLU 41 Cb -0.10 -2.21 -0.01 0.00 2.00 0.00 0.00 34.13 33.81 1kfh s GLU 41 CO 0.01 -0.75 0.23 -0.51 -0.56 0.00 0.00 175.26 173.68 1kfh s LEU 42 N 1.65 4.54 0.00 2.70 1.02 -1.26 -0.34 118.68 126.99 1kfh s LEU 42 Ca 0.01 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1kfh s LEU 42 Cb -0.18 -2.12 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1kfh s LEU 42 CO -0.13 -0.26 0.00 0.61 0.02 0.00 0.00 176.35 176.59 1kfh n GLY 43 N 5.09 2.92 3.09 -3.19 0.00 -0.85 -0.45 105.19 111.80 1kfh n GLY 43 Ca -0.13 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.01 -1.56 -0.70 0.00 0.00 -0.22 -4.96 121.76 113.31 1kfh s ALA 45 Ca -0.03 1.16 0.18 0.00 0.00 0.00 0.00 51.96 53.26 1kfh s ALA 45 Cb -0.08 -0.06 0.78 0.00 0.00 0.00 0.00 23.12 23.76 1kfh s ALA 45 CO 0.01 -0.34 1.55 0.00 0.00 0.00 0.00 175.76 176.98 1kfh n ALA 46 N 1.10 1.55 -3.64 0.00 0.00 -0.78 0.07 120.51 118.82 1kfh n ALA 46 Ca -0.19 0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1kfh n ALA 46 Cb 0.57 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 -3.19 -0.16 -0.09 0.00 2.01 -1.26 -4.64 115.64 108.31 1kfh s THR 47 Ca 0.04 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1kfh s THR 47 Cb 0.08 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1kfh s THR 47 CO 0.29 0.00 0.30 0.00 -0.69 0.00 0.00 174.62 174.52 1kfh s PRO 49 N -0.51 3.40 0.33 0.00 0.02 -1.26 -5.02 135.00 131.97 1kfh s PRO 49 Ca 0.19 1.44 -0.29 0.00 0.02 0.00 0.00 61.00 62.36 1kfh s PRO 49 Cb -0.14 -2.03 -0.12 0.00 0.02 0.00 0.00 34.50 32.23 1kfh s PRO 49 CO 0.08 -0.78 1.38 0.45 -0.33 0.00 0.00 177.00 177.80 1kfh n SER 50 N -1.48 3.12 -3.03 2.53 2.88 -1.26 -4.72 113.62 111.66 1kfh n SER 50 Ca 0.10 1.20 -0.32 0.00 -1.33 0.00 0.00 58.87 58.52 1kfh n SER 50 Cb 0.52 -1.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.36 1kfh n SER 50 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1kfh n LYS 51 N 0.86 0.00 -2.08 -1.46 5.02 -1.26 -4.79 118.16 114.45 1kfh n LYS 51 Ca 0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 1kfh n LYS 51 Cb 0.36 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.31 1kfh n LYS 51 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1kfh s LYS 52 N 5.53 2.91 0.00 1.97 -0.14 -1.26 -4.73 119.74 124.02 1kfh s LYS 52 Ca 0.90 0.81 0.00 0.00 -1.36 0.00 0.00 55.97 56.32 1kfh s LYS 52 Cb -0.92 -4.30 0.00 0.00 -1.68 0.00 0.00 37.83 30.94 1kfh s LYS 52 CO 0.37 -2.38 0.00 -2.30 -0.76 0.00 0.00 175.35 170.28 1kfh n PRO 53 N 8.90 0.00 0.00 -1.68 -0.02 -1.26 -2.73 135.00 138.21 1kfh n PRO 53 Ca 0.20 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1kfh n PRO 53 Cb 0.50 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.02 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 -0.69 0.00 -4.19 6.00 0.18 -1.26 -4.86 117.16 112.34 1kfh n TYR 54 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 1kfh n TYR 54 Cb 0.00 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 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 -2.00 2.40 -0.31 -3.48 2.02 -1.10 -2.62 118.70 113.60 1kfh s GLU 55 Ca 0.02 -1.03 0.03 0.00 0.02 0.00 0.00 54.97 54.00 1kfh s GLU 55 Cb 0.01 -2.40 0.09 0.00 0.10 0.00 0.00 34.13 31.93 1kfh s GLU 55 CO 0.01 0.48 0.03 -1.21 0.02 0.00 0.00 175.26 174.60 1kfh s GLU 56 N -2.69 1.40 -0.34 1.61 8.01 0.14 -4.69 118.70 122.15 1kfh s GLU 56 Ca 0.26 -1.56 -0.06 0.00 0.01 0.00 0.00 54.97 53.62 1kfh s GLU 56 Cb -0.10 -2.85 0.05 0.00 -4.31 0.00 0.00 34.13 26.91 1kfh s GLU 56 CO 0.18 -0.88 0.10 0.08 0.01 0.00 0.00 175.26 174.74 1kfh s VAL 57 N 1.13 3.63 -0.34 2.63 1.01 -1.26 -1.26 120.40 125.94 1kfh s VAL 57 Ca 0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1kfh s VAL 57 Cb -0.19 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.18 1kfh s VAL 57 CO -0.11 -0.20 0.08 0.42 0.00 0.00 0.00 175.10 175.29 1kfh s THR 58 N 1.36 3.14 0.05 3.92 -4.23 -0.52 -4.96 115.64 114.41 1kfh s THR 58 Ca -0.02 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1kfh s THR 58 Cb -0.20 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 1kfh s THR 58 CO 0.02 -0.31 -0.19 0.00 -0.54 0.00 0.00 174.62 173.60 1kfh n SER 61 N 1.21 3.06 -4.50 0.00 3.41 -1.26 0.22 113.62 115.77 1kfh n SER 61 Ca -0.19 -3.72 -0.24 0.00 -0.26 0.00 0.00 58.87 54.46 1kfh n SER 61 Cb 0.57 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.29 1.94 0.10 6.66 -4.23 -1.26 -4.99 115.64 110.56 1kfh s THR 62 Ca 0.50 -2.15 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 1kfh s THR 62 Cb 0.44 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 71.61 1kfh s THR 62 CO 0.05 -0.22 1.39 -1.81 -0.54 0.00 0.00 174.62 173.49 1kfh s ASP 63 N -3.55 6.83 -1.84 3.99 1.01 -1.26 -2.74 116.67 119.12 1kfh s ASP 63 Ca 0.32 2.29 0.00 0.00 0.71 0.00 0.00 52.55 55.86 1kfh s ASP 63 Cb 0.04 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1kfh s ASP 63 CO 0.15 -0.66 0.00 0.29 0.21 0.00 0.00 175.17 175.16 1kfh n LYS 64 N 4.19 -1.46 0.27 8.23 5.02 0.14 -4.89 118.16 129.67 1kfh n LYS 64 Ca 0.12 1.03 0.17 0.00 -2.02 0.00 0.00 58.31 57.60 1kfh n LYS 64 Cb 0.43 -5.40 0.64 0.00 -0.02 0.00 0.00 35.03 30.68 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 -3.10 6.46 -4.77 0.00 6.94 -1.26 -4.88 115.26 114.65 1kfh n ASN 66 Ca 0.01 -3.42 -0.38 0.00 -0.02 0.00 0.00 54.58 50.77 1kfh n ASN 66 Cb 0.33 -1.28 -0.05 0.00 -2.36 0.00 0.00 39.78 36.41 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 -2.65 4.50 -0.09 -0.53 0.04 -1.25 -4.63 135.00 130.40 1kfh s PRO 67 Ca 0.34 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1kfh s PRO 67 Cb 0.08 -2.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 1kfh s PRO 67 CO 0.06 0.17 2.06 -1.58 0.04 0.00 0.00 177.00 177.75 1kfh s HIS 68 N -1.47 1.27 0.00 0.56 2.46 -1.26 -4.92 115.29 111.92 1kfh s HIS 68 Ca 0.50 0.03 0.00 0.00 0.47 0.00 0.00 55.06 56.06 1kfh s HIS 68 Cb -0.24 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.12 1kfh s HIS 68 CO 0.30 -4.79 0.74 -0.35 -2.47 0.00 0.00 174.74 168.16 1kfh n PRO 69 N 8.08 0.00 -1.75 2.88 -0.04 -1.26 -4.54 135.00 138.38 1kfh n PRO 69 Ca 0.24 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 1kfh n PRO 69 Cb 0.43 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1kfh n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1kfh n LYS 70 N -1.32 2.70 -2.42 0.54 3.00 -1.26 -4.95 118.16 114.46 1kfh n LYS 70 Ca 0.00 0.96 -0.40 0.00 -0.00 0.00 0.00 58.31 58.87 1kfh n LYS 70 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 35.03 32.25 1kfh n LYS 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1kfh s GLN 71 N -0.56 4.55 0.34 1.64 -1.52 -1.26 -4.70 119.66 118.14 1kfh s GLN 71 Ca 0.64 1.85 0.00 0.00 -1.95 0.00 0.00 55.36 55.90 1kfh s GLN 71 Cb -0.50 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 1kfh s GLN 71 CO 0.49 0.11 0.00 0.54 -0.25 0.00 0.00 175.29 176.18 1kfh n ARG 72 N 1.01 -2.67 -1.96 2.91 3.00 -1.26 -4.65 116.66 113.04 1kfh n ARG 72 Ca -0.00 2.02 -0.31 0.00 -0.01 0.00 0.00 57.85 59.55 1kfh n ARG 72 Cb 0.45 -2.37 -0.06 0.00 0.00 0.00 0.00 32.46 30.48 1kfh n ARG 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1kfh n PRO 73 N -1.44 1.67 -0.67 5.56 -0.04 -1.26 -5.00 135.00 133.81 1kfh n PRO 73 Ca 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 1kfh n PRO 73 Cb 0.12 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 29.97 1kfh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87