#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kf3 n GLU 2 N 0.00 2.42 -1.63 1.97 2.13 -1.26 -4.97 120.64 119.31 1kf3 n GLU 2 Ca 0.00 0.86 -0.31 0.00 0.66 0.00 0.00 57.16 58.38 1kf3 n GLU 2 Cb 0.00 -2.61 0.05 0.00 0.27 0.00 0.00 31.44 29.15 1kf3 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1kf3 s THR 3 N 0.20 4.02 0.27 6.31 -4.23 -1.26 -4.86 115.64 116.09 1kf3 s THR 3 Ca 0.68 0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 61.80 1kf3 s THR 3 Cb -0.57 -3.45 0.25 0.00 1.34 0.00 0.00 72.50 70.07 1kf3 s THR 3 CO 0.46 -0.86 1.93 0.00 -0.54 0.00 0.00 174.62 175.61 1kf3 h ALA 4 N -0.69 1.30 -0.57 3.99 0.00 -1.95 -0.50 119.26 120.85 1kf3 h ALA 4 Ca -0.44 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1kf3 h ALA 4 Cb 1.21 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1kf3 h ALA 4 CO 0.58 0.62 0.09 0.00 0.00 0.00 0.00 179.25 180.55 1kf3 h ALA 5 N 1.39 0.76 -0.53 0.00 0.00 -1.90 -1.45 119.26 117.54 1kf3 h ALA 5 Ca 0.33 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1kf3 h ALA 5 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1kf3 h ALA 5 CO -0.07 0.50 -0.04 0.00 0.00 0.00 0.00 179.25 179.65 1kf3 h ALA 6 N 1.00 0.94 -0.84 0.00 0.00 -1.79 -2.40 119.26 116.17 1kf3 h ALA 6 Ca 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1kf3 h ALA 6 Cb 0.41 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1kf3 h ALA 6 CO 0.01 0.63 0.46 -0.22 0.00 0.00 0.00 179.25 180.13 1kf3 h LYS 7 N 0.84 1.18 -0.55 0.00 3.64 -0.91 -1.03 116.57 119.73 1kf3 h LYS 7 Ca 0.15 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1kf3 h LYS 7 Cb 0.55 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1kf3 h LYS 7 CO 0.03 0.86 0.37 0.35 -2.27 0.00 0.00 179.45 178.79 1kf3 h PHE 8 N 1.17 0.69 -0.21 1.91 3.04 -0.99 0.19 116.94 122.76 1kf3 h PHE 8 Ca 0.30 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.26 1kf3 h PHE 8 Cb 0.03 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 1kf3 h PHE 8 CO 0.01 0.44 0.13 1.49 -2.02 0.00 0.00 178.31 178.35 1kf3 h GLU 9 N 0.75 0.28 -0.72 1.11 4.81 -0.98 -0.20 114.58 119.62 1kf3 h GLU 9 Ca 0.20 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1kf3 h GLU 9 Cb -0.09 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1kf3 h GLU 9 CO -0.04 0.20 0.33 -0.09 -0.73 0.00 0.00 179.01 178.68 1kf3 h ARG 10 N 0.27 1.04 0.00 1.92 2.43 -0.91 -1.70 114.38 117.43 1kf3 h ARG 10 Ca 0.07 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1kf3 h ARG 10 Cb -0.01 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1kf3 h ARG 10 CO -0.02 0.83 -0.69 0.37 -1.51 0.00 0.00 179.97 178.96 1kf3 h GLN 11 N 1.01 0.00 0.00 0.20 4.15 -0.81 -3.42 115.11 116.24 1kf3 h GLN 11 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1kf3 h GLN 11 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1kf3 h GLN 11 CO -0.03 0.21 -0.36 0.72 -1.93 0.00 0.00 178.83 177.44 1kf3 n HIS 12 N -2.99 0.00 -3.82 3.99 8.25 -0.10 -4.72 115.22 115.83 1kf3 n HIS 12 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1kf3 n HIS 12 Cb 0.66 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.70 1kf3 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1kf3 s MET 13 N -1.04 3.87 -0.41 -0.41 -1.94 -0.64 -0.09 119.30 118.64 1kf3 s MET 13 Ca 0.00 -0.20 0.04 0.00 -1.71 0.00 0.00 55.69 53.82 1kf3 s MET 13 Cb 0.00 -3.31 0.17 0.00 2.01 0.00 0.00 34.83 33.70 1kf3 s MET 13 CO 0.00 0.48 0.34 0.34 -0.01 0.00 0.00 175.02 176.17 1kf3 s ASP 14 N -0.17 1.41 0.00 3.03 2.15 -0.13 -4.86 116.67 118.10 1kf3 s ASP 14 Ca 0.10 -2.99 0.26 0.00 0.43 0.00 0.00 52.55 50.35 1kf3 s ASP 14 Cb -0.11 -0.38 1.32 0.00 -0.30 0.00 0.00 42.92 43.45 1kf3 s ASP 14 CO 0.00 -0.18 1.88 -1.54 -0.17 0.00 0.00 175.17 175.17 1kf3 n SER 15 N 2.91 0.00 0.07 -0.34 3.41 -1.26 -3.62 113.62 114.79 1kf3 n SER 15 Ca 0.29 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1kf3 n SER 15 Cb 0.48 -0.28 0.26 0.00 -0.26 0.00 0.00 64.21 64.41 1kf3 n SER 15 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kf3 n SER 16 N -1.28 0.71 -4.15 4.04 7.64 -1.26 -4.83 113.62 114.49 1kf3 n SER 16 Ca 0.13 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 60.11 1kf3 n SER 16 Cb 0.20 -0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.12 1kf3 n SER 16 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1kf3 s THR 17 N -3.13 0.92 -0.31 0.44 -4.23 -1.24 -5.05 115.64 103.04 1kf3 s THR 17 Ca 0.08 -1.37 0.22 0.00 -1.18 0.00 0.00 61.69 59.44 1kf3 s THR 17 Cb 0.13 -1.07 0.13 0.00 1.34 0.00 0.00 72.50 73.04 1kf3 s THR 17 CO 0.67 -0.38 1.28 -1.28 -0.54 0.00 0.00 174.62 174.38 1kf3 h SER 18 N 4.08 0.00 -4.75 3.99 0.87 -1.88 -3.44 113.55 112.43 1kf3 h SER 18 Ca -0.38 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.33 1kf3 h SER 18 Cb 1.19 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.01 1kf3 h SER 18 CO 0.45 0.05 0.56 0.00 -0.53 0.00 0.00 176.83 177.36 1kf3 s ALA 19 N -3.26 -1.85 0.30 6.23 0.00 -1.26 -4.84 121.76 117.07 1kf3 s ALA 19 Ca 0.03 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 1kf3 s ALA 19 Cb 0.08 0.37 -0.10 0.00 0.00 0.00 0.00 23.12 23.46 1kf3 s ALA 19 CO 0.74 -0.75 1.38 0.00 0.00 0.00 0.00 175.76 177.13 1kf3 s ALA 20 N -3.01 3.56 -0.93 0.00 0.00 -1.26 -4.93 121.76 115.19 1kf3 s ALA 20 Ca 0.07 1.32 0.08 0.00 0.00 0.00 0.00 51.96 53.44 1kf3 s ALA 20 Cb -0.01 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1kf3 s ALA 20 CO -0.06 -0.73 0.68 -1.13 0.00 0.00 0.00 175.76 174.52 1kf3 n SER 21 N 1.50 1.42 -3.70 0.00 3.41 -1.26 -5.01 113.62 109.98 1kf3 n SER 21 Ca 0.03 -1.21 -0.09 0.00 -0.26 0.00 0.00 58.87 57.34 1kf3 n SER 21 Cb 0.41 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1kf3 n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kf3 s SER 22 N -0.95 -0.36 0.41 4.04 1.04 -1.26 -5.02 113.70 111.60 1kf3 s SER 22 Ca 0.09 -0.40 0.28 0.00 0.48 0.00 0.00 55.95 56.40 1kf3 s SER 22 Cb 0.07 0.67 1.44 0.00 0.10 0.00 0.00 66.02 68.30 1kf3 s SER 22 CO 0.16 -1.19 1.86 0.77 0.98 0.00 0.00 173.24 175.82 1kf3 h SER 23 N 2.03 0.00 -0.02 7.02 4.64 -1.95 -2.54 113.55 122.73 1kf3 h SER 23 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1kf3 h SER 23 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1kf3 h SER 23 CO 0.30 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.06 1kf3 n ASN 24 N -2.52 1.53 -0.03 4.97 5.15 -1.26 -4.44 115.26 118.66 1kf3 n ASN 24 Ca -0.01 -1.52 -0.09 0.00 -0.60 0.00 0.00 54.58 52.37 1kf3 n ASN 24 Cb 0.11 -0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.33 1kf3 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kf3 h TYR 25 N 2.39 -0.65 -0.43 1.20 5.03 -1.85 -1.77 116.97 120.89 1kf3 h TYR 25 Ca 0.00 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 1kf3 h TYR 25 Cb 0.51 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 1kf3 h TYR 25 CO 0.00 -0.32 0.12 0.00 -1.32 0.00 0.00 178.16 176.64 1kf3 h ASN 27 N 0.56 0.25 -0.16 0.00 2.35 -1.72 0.49 115.58 117.34 1kf3 h ASN 27 Ca 0.14 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 1kf3 h ASN 27 Cb 0.29 0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1kf3 h ASN 27 CO -0.00 0.15 -0.16 -0.61 -1.65 0.00 0.00 177.43 175.16 1kf3 h GLN 28 N 0.43 0.39 -0.26 0.81 5.75 -1.04 -3.12 115.11 118.07 1kf3 h GLN 28 Ca 0.31 -0.20 -0.18 0.00 -0.15 0.00 0.00 58.65 58.42 1kf3 h GLN 28 Cb 0.36 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 1kf3 h GLN 28 CO -0.30 0.76 -0.56 0.52 -2.65 0.00 0.00 178.83 176.60 1kf3 h MET 29 N 0.03 0.79 -1.00 1.69 2.86 -0.80 -0.93 114.93 117.58 1kf3 h MET 29 Ca 0.03 -0.51 0.01 0.00 -2.06 0.00 0.00 59.70 57.17 1kf3 h MET 29 Cb 0.69 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1kf3 h MET 29 CO 0.04 1.14 0.66 0.52 1.06 0.00 0.00 176.91 180.33 1kf3 h MET 30 N 0.60 1.31 -0.02 1.72 2.86 -1.01 -1.62 114.93 118.78 1kf3 h MET 30 Ca 0.01 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1kf3 h MET 30 Cb 1.16 -0.30 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1kf3 h MET 30 CO 0.12 0.87 -0.04 -0.22 1.06 0.00 0.00 176.91 178.70 1kf3 h LYS 31 N 1.35 0.06 0.00 1.72 3.64 -1.47 -1.47 116.57 120.41 1kf3 h LYS 31 Ca 0.37 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1kf3 h LYS 31 Cb -0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1kf3 h LYS 31 CO -0.08 0.60 -0.30 1.03 -2.27 0.00 0.00 179.45 178.43 1kf3 h SER 32 N -0.47 0.00 -0.18 4.20 0.87 -1.01 -1.62 113.55 115.34 1kf3 h SER 32 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1kf3 h SER 32 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1kf3 h SER 32 CO 0.01 0.30 0.00 0.54 -0.53 0.00 0.00 176.83 177.15 1kf3 n ARG 33 N -3.91 1.62 -2.05 2.24 5.12 -0.62 -4.92 116.66 114.14 1kf3 n ARG 33 Ca -0.02 -0.95 -0.12 0.00 -1.93 0.00 0.00 57.85 54.84 1kf3 n ARG 33 Cb 0.37 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.32 1kf3 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1kf3 n ASN 34 N 0.20 -3.94 -0.10 0.55 5.15 -0.61 -4.87 115.26 111.65 1kf3 n ASN 34 Ca 0.14 0.05 0.13 0.00 -0.60 0.00 0.00 54.58 54.30 1kf3 n ASN 34 Cb 0.27 -3.02 0.46 0.00 -0.53 0.00 0.00 39.78 36.97 1kf3 n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1kf3 n LEU 35 N -1.64 0.54 -0.38 1.20 4.77 -0.56 -3.64 117.00 117.29 1kf3 n LEU 35 Ca -0.14 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1kf3 n LEU 35 Cb 0.56 -0.23 0.13 0.00 -2.33 0.00 0.00 43.42 41.55 1kf3 n LEU 35 CO 0.17 0.11 0.60 0.35 -1.33 0.00 0.00 177.39 177.28 1kf3 n THR 36 N -1.11 1.48 -0.09 -5.08 -2.24 -1.23 -3.80 114.28 102.22 1kf3 n THR 36 Ca 0.11 -1.47 -0.11 0.00 -2.27 0.00 0.00 64.05 60.30 1kf3 n THR 36 Cb 0.32 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1kf3 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1kf3 h LYS 37 N 0.93 0.46 0.00 -0.78 3.64 -1.90 -3.33 116.57 115.59 1kf3 h LYS 37 Ca 0.00 -0.16 -0.24 0.00 -1.27 0.00 0.00 60.65 58.98 1kf3 h LYS 37 Cb 0.88 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1kf3 h LYS 37 CO 0.05 0.65 -2.18 -0.25 -2.27 0.00 0.00 179.45 175.45 1kf3 n ASP 38 N -4.60 0.35 -3.59 4.20 8.00 -1.26 -5.04 116.55 114.61 1kf3 n ASP 38 Ca -0.03 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.38 1kf3 n ASP 38 Cb 0.26 1.26 -0.02 0.00 -0.02 0.00 0.00 41.12 42.60 1kf3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kf3 s ARG 39 N -2.75 1.18 -0.47 -1.24 1.70 -1.25 -5.11 118.95 111.02 1kf3 s ARG 39 Ca -0.09 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 1kf3 s ARG 39 Cb 0.08 0.48 0.03 0.00 -0.57 0.00 0.00 34.95 34.96 1kf3 s ARG 39 CO 0.79 -0.53 1.20 0.00 -1.08 0.00 0.00 175.30 175.69 1kf3 s LYS 41 N 4.58 4.20 0.17 0.00 2.20 -1.25 -4.90 119.74 124.75 1kf3 s LYS 41 Ca 0.51 2.41 0.04 0.00 -0.36 0.00 0.00 55.97 58.57 1kf3 s LYS 41 Cb -0.09 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1kf3 s LYS 41 CO 0.32 -0.64 1.40 -1.00 -0.36 0.00 0.00 175.35 175.07 1kf3 h PRO 42 N 6.85 0.14 -3.69 4.03 0.13 -1.94 -3.44 132.00 134.07 1kf3 h PRO 42 Ca -0.43 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 64.37 1kf3 h PRO 42 Cb 1.20 0.04 -0.23 0.00 0.13 0.00 0.00 31.00 32.15 1kf3 h PRO 42 CO 0.92 0.91 -0.61 0.54 -0.23 0.00 0.00 178.00 179.54 1kf3 s VAL 43 N -3.21 0.07 -0.05 1.56 0.11 -1.26 -1.24 120.40 116.38 1kf3 s VAL 43 Ca -0.02 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.15 1kf3 s VAL 43 Cb 0.10 -0.28 0.08 0.00 -1.53 0.00 0.00 36.38 34.75 1kf3 s VAL 43 CO 0.82 -0.32 0.71 0.21 -3.33 0.00 0.00 175.10 173.19 1kf3 s ASN 44 N -1.01 -0.62 -0.06 3.54 2.47 -0.47 -5.01 114.94 113.78 1kf3 s ASN 44 Ca -0.11 0.63 0.06 0.00 0.42 0.00 0.00 52.86 53.86 1kf3 s ASN 44 Cb -0.07 0.52 -0.01 0.00 -1.45 0.00 0.00 41.25 40.24 1kf3 s ASN 44 CO 0.00 -0.61 -0.25 -0.89 -3.72 0.00 0.00 177.10 171.64 1kf3 s THR 45 N -1.37 2.04 -0.06 -5.21 2.01 -1.26 -0.64 115.64 111.16 1kf3 s THR 45 Ca -0.09 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.85 1kf3 s THR 45 Cb -0.00 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1kf3 s THR 45 CO 0.07 0.57 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.18 1kf3 s PHE 46 N -0.10 3.04 -0.17 4.92 0.08 -0.11 -4.42 117.98 121.22 1kf3 s PHE 46 Ca -0.05 0.10 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 1kf3 s PHE 46 Cb -0.14 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1kf3 s PHE 46 CO 0.04 0.41 -0.08 0.08 -0.10 0.00 0.00 175.22 175.57 1kf3 s VAL 47 N -0.90 3.27 -1.03 -0.44 1.01 0.87 -0.60 120.40 122.59 1kf3 s VAL 47 Ca 0.14 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1kf3 s VAL 47 Cb -0.11 -2.43 0.31 0.00 0.00 0.00 0.00 36.38 34.15 1kf3 s VAL 47 CO 0.04 0.48 1.57 1.41 0.00 0.00 0.00 175.10 178.60 1kf3 n HIS 48 N 4.09 2.51 -4.11 5.22 -0.00 0.32 -0.96 115.22 122.30 1kf3 n HIS 48 Ca -0.18 -2.66 -0.10 0.00 -0.00 0.00 0.00 57.72 54.78 1kf3 n HIS 48 Cb 0.52 -1.19 -0.09 0.00 -0.00 0.00 0.00 29.99 29.23 1kf3 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1kf3 s GLU 49 N -3.37 1.03 0.62 -0.41 0.41 -1.26 -4.55 118.70 111.17 1kf3 s GLU 49 Ca 0.35 -1.40 -0.18 0.00 -0.41 0.00 0.00 54.97 53.33 1kf3 s GLU 49 Cb 0.11 0.28 -0.02 0.00 -1.78 0.00 0.00 34.13 32.72 1kf3 s GLU 49 CO 0.01 -0.33 1.23 -1.54 -0.49 0.00 0.00 175.26 174.15 1kf3 s SER 50 N -3.04 4.91 0.23 -0.19 1.04 -1.26 -4.14 113.70 111.25 1kf3 s SER 50 Ca 0.24 2.45 -0.07 0.00 0.48 0.00 0.00 55.95 59.06 1kf3 s SER 50 Cb 0.06 -2.60 0.25 0.00 0.10 0.00 0.00 66.02 63.83 1kf3 s SER 50 CO 0.03 -1.79 1.88 0.25 0.98 0.00 0.00 173.24 174.59 1kf3 h LEU 51 N 0.65 0.94 -1.10 2.42 5.85 -1.98 -2.36 115.31 119.73 1kf3 h LEU 51 Ca -0.50 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 1kf3 h LEU 51 Cb 1.31 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1kf3 h LEU 51 CO 0.54 0.65 0.44 0.00 -0.34 0.00 0.00 178.44 179.73 1kf3 h ALA 52 N 1.35 1.32 -0.23 1.25 0.00 -1.99 0.84 119.26 121.81 1kf3 h ALA 52 Ca 0.34 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1kf3 h ALA 52 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1kf3 h ALA 52 CO -0.11 0.57 -0.28 -0.44 0.00 0.00 0.00 179.25 178.99 1kf3 h ASP 53 N 1.07 0.45 -0.10 0.00 3.32 -1.81 -1.32 116.42 118.03 1kf3 h ASP 53 Ca 0.28 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 1kf3 h ASP 53 Cb -0.00 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.43 1kf3 h ASP 53 CO -0.05 0.72 -0.56 0.58 -1.72 0.00 0.00 179.24 178.22 1kf3 h VAL 54 N 0.39 1.35 -0.36 -1.35 2.07 -1.01 -3.19 116.25 114.16 1kf3 h VAL 54 Ca 0.05 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1kf3 h VAL 54 Cb 0.70 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1kf3 h VAL 54 CO 0.05 0.56 0.23 1.56 0.02 0.00 0.00 177.57 180.00 1kf3 h GLN 55 N 0.17 0.47 0.00 1.57 4.20 -0.72 -1.73 115.11 119.08 1kf3 h GLN 55 Ca -0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1kf3 h GLN 55 Cb 1.20 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 1kf3 h GLN 55 CO 0.11 0.32 -0.02 0.00 -0.67 0.00 0.00 178.83 178.58 1kf3 h ALA 56 N 1.77 1.14 0.00 3.87 0.00 -1.22 -2.47 119.26 122.34 1kf3 h ALA 56 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1kf3 h ALA 56 Cb -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1kf3 h ALA 56 CO -0.03 0.02 -0.03 0.28 0.00 0.00 0.00 179.25 179.50 1kf3 h VAL 57 N 0.00 0.69 0.00 0.00 2.07 -1.37 -1.33 116.25 116.31 1kf3 h VAL 57 Ca -0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1kf3 h VAL 57 Cb 0.12 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1kf3 h VAL 57 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1kf3 n SER 59 N -1.39 2.79 0.00 0.00 7.64 -0.50 -5.00 113.62 117.16 1kf3 n SER 59 Ca 0.02 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.06 1kf3 n SER 59 Cb 0.07 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1kf3 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kf3 n GLN 60 N 0.77 2.30 -2.84 1.43 6.02 -0.26 -5.00 117.38 119.80 1kf3 n GLN 60 Ca 0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1kf3 n GLN 60 Cb 0.42 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.65 1kf3 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1kf3 s LYS 61 N 4.77 3.99 -0.03 -1.09 2.20 -1.04 -4.87 119.74 123.66 1kf3 s LYS 61 Ca 0.00 0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 1kf3 s LYS 61 Cb 0.00 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1kf3 s LYS 61 CO 0.00 -0.76 1.26 1.21 -0.36 0.00 0.00 175.35 176.70 1kf3 s ASN 62 N 1.63 6.99 0.10 1.43 3.04 -1.26 -0.35 114.94 126.52 1kf3 s ASN 62 Ca 0.37 1.91 0.00 0.00 0.04 0.00 0.00 52.86 55.18 1kf3 s ASN 62 Cb -0.13 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.97 1kf3 s ASN 62 CO 0.13 -0.62 -0.02 0.68 -3.04 0.00 0.00 177.10 174.24 1kf3 s VAL 63 N 2.24 0.40 0.27 -5.21 -7.23 -0.25 -4.92 120.40 105.70 1kf3 s VAL 63 Ca 0.58 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 1kf3 s VAL 63 Cb -0.27 -1.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1kf3 s VAL 63 CO 0.23 -0.76 1.19 0.00 -0.31 0.00 0.00 175.10 175.46 1kf3 s ALA 64 N -3.82 3.45 0.96 1.32 0.00 -1.26 -3.18 121.76 119.22 1kf3 s ALA 64 Ca 0.15 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1kf3 s ALA 64 Cb 0.07 -3.40 0.16 0.00 0.00 0.00 0.00 23.12 19.96 1kf3 s ALA 64 CO -0.04 -0.36 1.09 0.00 0.00 0.00 0.00 175.76 176.45 1kf3 h LYS 66 N -1.78 0.47 -0.16 0.00 1.57 -1.91 -0.82 116.57 113.94 1kf3 h LYS 66 Ca -0.52 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1kf3 h LYS 66 Cb 1.30 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1kf3 h LYS 66 CO 0.54 0.31 0.00 0.27 -0.57 0.00 0.00 179.45 180.00 1kf3 n ASN 67 N -4.47 1.48 0.00 0.86 6.94 -1.26 -4.93 115.26 113.87 1kf3 n ASN 67 Ca 0.07 -1.71 0.00 0.00 -0.02 0.00 0.00 54.58 52.92 1kf3 n ASN 67 Cb 0.23 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1kf3 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kf3 n GLY 68 N 1.08 1.49 3.71 4.83 0.00 -0.31 -5.06 105.19 110.92 1kf3 n GLY 68 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1kf3 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kf3 s GLN 69 N -0.89 1.76 -0.15 1.61 -0.21 -1.26 -4.65 119.66 115.88 1kf3 s GLN 69 Ca 0.00 1.71 0.17 0.00 0.02 0.00 0.00 55.36 57.25 1kf3 s GLN 69 Cb 0.00 -1.80 0.43 0.00 1.00 0.00 0.00 33.01 32.65 1kf3 s GLN 69 CO 0.00 -2.11 1.32 0.25 -2.12 0.00 0.00 175.29 172.63 1kf3 n THR 70 N -3.22 2.06 -1.18 -0.19 -2.24 -1.26 -0.35 114.28 107.90 1kf3 n THR 70 Ca 0.13 -1.92 -0.16 0.00 -2.27 0.00 0.00 64.05 59.83 1kf3 n THR 70 Cb 0.51 -0.19 0.23 0.00 -2.10 0.00 0.00 70.33 68.78 1kf3 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1kf3 n ASN 71 N -0.72 4.08 -4.93 3.42 6.94 -1.26 -4.75 115.26 118.04 1kf3 n ASN 71 Ca 0.19 -3.47 -0.27 0.00 -0.02 0.00 0.00 54.58 51.00 1kf3 n ASN 71 Cb 0.77 -0.79 -0.03 0.00 -2.36 0.00 0.00 39.78 37.37 1kf3 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kf3 s TYR 73 N -1.83 -0.09 -0.13 0.00 2.02 0.11 -1.09 117.35 116.34 1kf3 s TYR 73 Ca 0.37 0.25 -0.04 0.00 -0.37 0.00 0.00 57.07 57.28 1kf3 s TYR 73 Cb -0.11 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1kf3 s TYR 73 CO 0.29 -0.07 0.02 -1.14 -1.57 0.00 0.00 175.55 173.08 1kf3 s GLN 74 N 0.37 3.41 0.35 -0.62 0.74 0.53 -1.37 119.66 123.07 1kf3 s GLN 74 Ca -0.03 -0.38 -0.27 0.00 0.05 0.00 0.00 55.36 54.73 1kf3 s GLN 74 Cb -0.04 -2.96 -0.09 0.00 1.10 0.00 0.00 33.01 31.01 1kf3 s GLN 74 CO -0.01 0.52 1.20 -1.54 -0.55 0.00 0.00 175.29 174.91 1kf3 s SER 75 N -0.36 6.77 0.26 6.67 1.04 -0.16 -2.50 113.70 125.42 1kf3 s SER 75 Ca 0.08 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.95 1kf3 s SER 75 Cb -0.12 -2.63 0.33 0.00 0.10 0.00 0.00 66.02 63.70 1kf3 s SER 75 CO 0.02 -0.51 1.70 1.88 0.98 0.00 0.00 173.24 177.31 1kf3 h TYR 76 N 3.16 0.72 -2.04 5.02 0.05 -1.95 -3.44 116.97 118.48 1kf3 h TYR 76 Ca -0.48 -0.14 -0.47 0.00 0.05 0.00 0.00 58.73 57.68 1kf3 h TYR 76 Cb 1.23 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 1kf3 h TYR 76 CO 0.56 0.78 -0.43 -1.12 -1.05 0.00 0.00 178.16 176.90 1kf3 s SER 77 N -6.75 5.87 0.53 3.88 0.01 -1.26 -5.07 113.70 110.92 1kf3 s SER 77 Ca -0.08 -0.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 1kf3 s SER 77 Cb 0.14 -1.45 -0.07 0.00 0.21 0.00 0.00 66.02 64.85 1kf3 s SER 77 CO 0.81 -0.20 1.01 0.42 0.41 0.00 0.00 173.24 175.69 1kf3 s THR 78 N -2.12 4.21 0.12 1.44 -4.23 -1.26 -4.48 115.64 109.32 1kf3 s THR 78 Ca 0.38 1.10 0.05 0.00 -1.18 0.00 0.00 61.69 62.04 1kf3 s THR 78 Cb -0.08 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1kf3 s THR 78 CO 0.28 -0.56 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.64 1kf3 s MET 79 N -3.94 0.96 -0.19 3.99 -1.94 0.28 -4.88 119.30 113.58 1kf3 s MET 79 Ca 0.61 -1.23 -0.29 0.00 -1.71 0.00 0.00 55.69 53.07 1kf3 s MET 79 Cb -0.13 -0.74 -0.00 0.00 2.01 0.00 0.00 34.83 35.97 1kf3 s MET 79 CO 0.31 0.13 1.14 0.45 -0.01 0.00 0.00 175.02 177.03 1kf3 s SER 80 N -2.53 7.04 0.12 3.03 0.15 -1.26 -1.66 113.70 118.58 1kf3 s SER 80 Ca 0.09 1.53 0.05 0.00 0.70 0.00 0.00 55.95 58.31 1kf3 s SER 80 Cb -0.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1kf3 s SER 80 CO 0.02 -0.70 -0.12 0.27 1.20 0.00 0.00 173.24 173.91 1kf3 s ILE 81 N 3.25 1.17 -0.13 6.45 -4.36 -0.27 -0.52 121.20 126.79 1kf3 s ILE 81 Ca 0.49 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 59.12 1kf3 s ILE 81 Cb -0.18 -1.55 0.02 0.00 1.25 0.00 0.00 42.46 42.00 1kf3 s ILE 81 CO 0.10 -0.54 -0.16 -0.89 0.24 0.00 0.00 174.94 173.70 1kf3 s THR 82 N -2.51 1.58 -0.06 8.37 2.01 0.24 -1.32 115.64 123.94 1kf3 s THR 82 Ca 0.10 -0.67 -0.16 0.00 0.31 0.00 0.00 61.69 61.26 1kf3 s THR 82 Cb -0.03 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1kf3 s THR 82 CO 0.02 0.46 0.43 -1.81 -0.69 0.00 0.00 174.62 173.02 1kf3 s ASP 83 N 1.15 6.73 -0.13 3.53 1.01 0.10 -0.94 116.67 128.12 1kf3 s ASP 83 Ca -0.03 0.87 0.03 0.00 0.71 0.00 0.00 52.55 54.13 1kf3 s ASP 83 Cb -0.14 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.54 1kf3 s ASP 83 CO -0.05 0.18 -0.22 0.00 0.21 0.00 0.00 175.17 175.29 1kf3 s ARG 85 N 0.71 0.46 0.37 0.00 3.52 -0.94 -1.36 118.95 121.71 1kf3 s ARG 85 Ca -0.10 -0.09 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 1kf3 s ARG 85 Cb -0.16 -0.50 -0.11 0.00 -1.56 0.00 0.00 34.95 32.62 1kf3 s ARG 85 CO 0.01 -0.00 1.46 -2.00 -0.81 0.00 0.00 175.30 173.95 1kf3 s GLU 86 N 0.42 4.15 0.54 5.12 2.12 -0.38 -0.73 118.70 129.94 1kf3 s GLU 86 Ca -0.05 2.51 0.04 0.00 0.36 0.00 0.00 54.97 57.83 1kf3 s GLU 86 Cb -0.08 -2.98 0.04 0.00 0.26 0.00 0.00 34.13 31.37 1kf3 s GLU 86 CO -0.00 -0.48 0.75 0.95 -0.54 0.00 0.00 175.26 175.93 1kf3 s THR 87 N -1.13 2.64 0.34 -1.70 -4.23 -0.43 -4.80 115.64 106.34 1kf3 s THR 87 Ca 0.52 -0.77 0.32 0.00 -1.18 0.00 0.00 61.69 60.58 1kf3 s THR 87 Cb -0.45 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 70.86 1kf3 s THR 87 CO 0.61 0.00 2.08 1.23 -0.54 0.00 0.00 174.62 178.00 1kf3 h GLY 88 N 0.16 0.00 0.42 3.99 0.00 -1.95 -2.10 103.07 103.59 1kf3 h GLY 88 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1kf3 h GLY 88 CO 0.48 0.00 -0.17 -1.14 0.00 0.00 0.00 176.54 175.71 1kf3 n SER 89 N -3.35 0.86 -4.74 0.19 3.41 -1.26 -4.93 113.62 103.80 1kf3 n SER 89 Ca -0.01 -0.84 -0.41 0.00 -0.26 0.00 0.00 58.87 57.34 1kf3 n SER 89 Cb 0.25 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1kf3 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kf3 s SER 90 N -2.43 6.73 -0.27 4.04 0.15 -0.79 -4.85 113.70 116.28 1kf3 s SER 90 Ca 0.28 2.57 -0.02 0.00 0.70 0.00 0.00 55.95 59.47 1kf3 s SER 90 Cb 0.20 -2.62 0.16 0.00 -1.71 0.00 0.00 66.02 62.05 1kf3 s SER 90 CO 0.48 -0.66 0.49 -0.75 1.20 0.00 0.00 173.24 174.00 1kf3 s LYS 91 N -0.11 0.46 0.21 5.44 2.20 -0.99 -4.90 119.74 122.05 1kf3 s LYS 91 Ca 0.60 0.80 -0.31 0.00 -0.36 0.00 0.00 55.97 56.69 1kf3 s LYS 91 Cb -0.40 0.07 -0.15 0.00 -1.51 0.00 0.00 37.83 35.83 1kf3 s LYS 91 CO 0.40 -0.61 1.16 0.98 -0.36 0.00 0.00 175.35 176.93 1kf3 n TYR 92 N 5.40 1.42 1.30 4.03 9.36 -1.26 -0.37 117.16 137.04 1kf3 n TYR 92 Ca -0.03 0.65 0.11 0.00 3.32 0.00 0.00 57.90 61.95 1kf3 n TYR 92 Cb 0.50 -2.30 0.40 0.00 -0.63 0.00 0.00 39.34 37.32 1kf3 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1kf3 n PRO 93 N 1.58 1.68 -2.70 2.98 -0.04 -1.26 -4.96 135.00 132.27 1kf3 n PRO 93 Ca 0.13 -1.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.15 1kf3 n PRO 93 Cb 0.27 -1.40 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 1kf3 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kf3 n ASN 94 N 0.24 5.81 -4.75 3.54 5.03 0.50 -4.99 115.26 120.63 1kf3 n ASN 94 Ca 0.16 -3.27 -0.41 0.00 0.87 0.00 0.00 54.58 51.93 1kf3 n ASN 94 Cb 0.32 -1.37 -0.03 0.00 -1.02 0.00 0.00 39.78 37.68 1kf3 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kf3 s ALA 96 N -0.56 0.44 0.04 0.00 0.00 -1.26 -4.93 121.76 115.49 1kf3 s ALA 96 Ca 0.52 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1kf3 s ALA 96 Cb -0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1kf3 s ALA 96 CO 0.44 0.10 -0.07 0.71 0.00 0.00 0.00 175.76 176.94 1kf3 s TYR 97 N -0.08 0.62 -0.07 0.00 2.02 -1.26 -1.31 117.35 117.27 1kf3 s TYR 97 Ca 0.02 -0.45 -0.18 0.00 -0.37 0.00 0.00 57.07 56.08 1kf3 s TYR 97 Cb -0.03 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.11 1kf3 s TYR 97 CO -0.00 -0.08 0.49 0.21 -1.57 0.00 0.00 175.55 174.59 1kf3 s LYS 98 N -1.40 4.25 -0.22 -0.62 2.20 0.09 -4.63 119.74 119.41 1kf3 s LYS 98 Ca -0.09 0.50 -0.10 0.00 -0.36 0.00 0.00 55.97 55.92 1kf3 s LYS 98 Cb -0.09 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1kf3 s LYS 98 CO 0.00 0.31 0.13 0.99 -0.36 0.00 0.00 175.35 176.42 1kf3 s THR 99 N 0.10 5.23 -0.09 3.43 2.01 -1.26 -2.21 115.64 122.85 1kf3 s THR 99 Ca 0.26 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1kf3 s THR 99 Cb -0.16 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 68.96 1kf3 s THR 99 CO 0.12 0.39 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.48 1kf3 s THR 100 N 0.74 0.97 -0.12 -0.82 2.01 -0.49 -4.98 115.64 112.95 1kf3 s THR 100 Ca 0.07 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 1kf3 s THR 100 Cb -0.13 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1kf3 s THR 100 CO 0.02 0.34 0.19 -1.58 -0.69 0.00 0.00 174.62 172.90 1kf3 s GLN 101 N 1.30 3.69 0.23 4.92 2.00 -1.26 -0.72 119.66 129.82 1kf3 s GLN 101 Ca -0.03 -0.05 -0.16 0.00 -2.00 0.00 0.00 55.36 53.12 1kf3 s GLN 101 Cb -0.14 -3.25 0.01 0.00 0.80 0.00 0.00 33.01 30.44 1kf3 s GLN 101 CO -0.03 0.65 0.55 0.00 -0.50 0.00 0.00 175.29 175.95 1kf3 s ALA 102 N -0.70 -0.73 -0.26 1.58 0.00 -0.44 -5.00 121.76 116.21 1kf3 s ALA 102 Ca 0.15 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1kf3 s ALA 102 Cb -0.13 0.93 0.06 0.00 0.00 0.00 0.00 23.12 23.99 1kf3 s ALA 102 CO 0.04 -0.87 -0.11 1.21 0.00 0.00 0.00 175.76 176.03 1kf3 s ASN 103 N -2.94 4.44 0.07 0.00 2.47 -1.26 -1.11 114.94 116.61 1kf3 s ASN 103 Ca 0.15 -1.40 -0.02 0.00 0.42 0.00 0.00 52.86 52.01 1kf3 s ASN 103 Cb -0.02 -1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 38.20 1kf3 s ASN 103 CO 0.04 -0.19 0.00 -0.54 -3.72 0.00 0.00 177.10 172.69 1kf3 s LYS 104 N 1.10 0.69 0.42 0.43 1.02 -0.67 -4.82 119.74 117.92 1kf3 s LYS 104 Ca -0.09 -1.24 -0.23 0.00 0.02 0.00 0.00 55.97 54.43 1kf3 s LYS 104 Cb -0.20 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.25 1kf3 s LYS 104 CO -0.05 -0.15 1.06 -1.01 -0.92 0.00 0.00 175.35 174.27 1kf3 s HIS 105 N -3.94 3.18 0.12 3.18 3.76 -1.26 -0.56 115.29 119.77 1kf3 s HIS 105 Ca 0.10 1.62 0.05 0.00 -0.15 0.00 0.00 55.06 56.68 1kf3 s HIS 105 Cb 0.08 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.59 1kf3 s HIS 105 CO -0.08 -0.74 0.03 0.96 -0.85 0.00 0.00 174.74 174.06 1kf3 s ILE 106 N -1.72 4.06 -0.13 0.60 -4.36 -1.26 -1.13 121.20 117.25 1kf3 s ILE 106 Ca 0.60 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.91 1kf3 s ILE 106 Cb -0.21 -2.98 0.02 0.00 1.25 0.00 0.00 42.46 40.53 1kf3 s ILE 106 CO 0.26 0.02 -0.16 -0.63 0.24 0.00 0.00 174.94 174.68 1kf3 s ILE 107 N -1.49 1.63 0.14 8.37 1.01 0.04 -0.99 121.20 129.90 1kf3 s ILE 107 Ca 0.27 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1kf3 s ILE 107 Cb -0.11 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1kf3 s ILE 107 CO 0.19 0.47 -0.17 0.68 0.00 0.00 0.00 174.94 176.11 1kf3 s VAL 108 N 1.21 1.64 -0.11 2.92 -7.23 -0.47 -0.53 120.40 117.83 1kf3 s VAL 108 Ca -0.01 -1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 1kf3 s VAL 108 Cb -0.14 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 1kf3 s VAL 108 CO -0.06 -0.31 0.20 0.00 -0.31 0.00 0.00 175.10 174.61 1kf3 s ALA 109 N -1.96 3.79 0.08 1.32 0.00 -0.34 -0.71 121.76 123.93 1kf3 s ALA 109 Ca 0.12 -0.55 0.10 0.00 0.00 0.00 0.00 51.96 51.62 1kf3 s ALA 109 Cb -0.06 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1kf3 s ALA 109 CO 0.05 0.47 -0.25 0.00 0.00 0.00 0.00 175.76 176.03 1kf3 s GLU 111 N -1.63 1.07 0.00 0.00 2.02 -0.70 -4.91 118.70 114.56 1kf3 s GLU 111 Ca 0.13 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1kf3 s GLU 111 Cb -0.10 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.53 1kf3 s GLU 111 CO 0.05 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.35 1kf3 n GLY 112 N -0.18 0.02 2.67 -1.39 0.00 -1.26 -2.02 105.19 103.02 1kf3 n GLY 112 Ca -0.12 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 1kf3 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kf3 s ASN 113 N -0.48 2.77 0.60 1.61 3.84 -1.26 -2.86 114.94 119.16 1kf3 s ASN 113 Ca 0.00 -0.80 -0.19 0.00 0.21 0.00 0.00 52.86 52.08 1kf3 s ASN 113 Cb 0.00 -0.44 -0.03 0.00 -0.55 0.00 0.00 41.25 40.22 1kf3 s ASN 113 CO 0.00 -0.34 1.24 -2.84 -2.79 0.00 0.00 177.10 172.37 1kf3 s PRO 114 N 1.98 2.92 -0.49 0.43 0.01 -1.26 -5.09 135.00 133.50 1kf3 s PRO 114 Ca 0.01 1.92 -0.27 0.00 0.01 0.00 0.00 61.00 62.68 1kf3 s PRO 114 Cb -0.17 -1.96 0.03 0.00 0.01 0.00 0.00 34.50 32.42 1kf3 s PRO 114 CO -0.11 -1.27 1.02 -0.47 0.01 0.00 0.00 177.00 176.17 1kf3 s TYR 115 N -1.51 2.84 0.17 6.54 5.04 -1.13 -4.91 117.35 124.39 1kf3 s TYR 115 Ca 0.78 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 1kf3 s TYR 115 Cb -0.33 -4.18 -0.05 0.00 0.35 0.00 0.00 41.96 37.75 1kf3 s TYR 115 CO 0.36 -1.23 -0.02 0.14 -1.34 0.00 0.00 175.55 173.46 1kf3 s VAL 116 N 4.11 0.80 0.22 3.14 -7.23 -0.86 -4.86 120.40 115.73 1kf3 s VAL 116 Ca 0.40 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1kf3 s VAL 116 Cb -0.09 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 1kf3 s VAL 116 CO 0.27 -0.55 1.29 -2.84 -0.31 0.00 0.00 175.10 172.96 1kf3 s PRO 117 N -3.87 4.41 0.00 4.82 0.02 -1.26 -1.71 135.00 137.40 1kf3 s PRO 117 Ca 0.22 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1kf3 s PRO 117 Cb 0.05 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1kf3 s PRO 117 CO 0.03 -0.20 0.00 1.33 -0.33 0.00 0.00 177.00 177.83 1kf3 n VAL 118 N 2.23 0.00 -3.73 3.83 0.24 0.09 -4.55 118.33 116.44 1kf3 n VAL 118 Ca 0.05 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.87 1kf3 n VAL 118 Cb 0.43 1.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.70 1kf3 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1kf3 s HIS 119 N -0.69 -0.47 -0.33 6.34 3.76 -1.17 -4.68 115.29 118.06 1kf3 s HIS 119 Ca 0.00 1.11 -0.17 0.00 -0.15 0.00 0.00 55.06 55.86 1kf3 s HIS 119 Cb 0.00 0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.84 1kf3 s HIS 119 CO 0.00 -0.23 0.45 0.12 -0.85 0.00 0.00 174.74 174.23 1kf3 s PHE 120 N 0.39 3.21 -0.21 1.40 2.19 -1.26 -1.20 117.98 122.49 1kf3 s PHE 120 Ca -0.01 0.21 -0.16 0.00 0.33 0.00 0.00 56.93 57.30 1kf3 s PHE 120 Cb -0.04 -2.78 -0.19 0.00 -1.31 0.00 0.00 43.02 38.70 1kf3 s PHE 120 CO -0.01 -0.43 0.11 -3.47 1.83 0.00 0.00 175.22 173.24 1kf3 n ASP 121 N 5.56 1.94 -3.60 6.13 2.03 0.31 -4.97 116.55 123.95 1kf3 n ASP 121 Ca -0.06 0.33 -0.05 0.00 0.52 0.00 0.00 54.79 55.52 1kf3 n ASP 121 Cb 0.49 -0.88 -0.02 0.00 -0.72 0.00 0.00 41.12 39.99 1kf3 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kf3 s ALA 122 N -2.44 -1.86 0.00 -1.67 0.00 -1.08 -4.91 121.76 109.79 1kf3 s ALA 122 Ca -0.30 0.83 0.08 0.00 0.00 0.00 0.00 51.96 52.57 1kf3 s ALA 122 Cb 0.08 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1kf3 s ALA 122 CO 0.61 -0.81 -0.25 -1.12 0.00 0.00 0.00 175.76 174.19 1kf3 s SER 123 N -2.61 2.94 0.00 0.00 0.01 -1.26 -0.78 113.70 111.99 1kf3 s SER 123 Ca 0.09 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1kf3 s SER 123 Cb -0.00 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1kf3 s SER 123 CO -0.05 0.28 0.02 1.33 0.41 0.00 0.00 173.24 175.24