#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kf7 n GLU 2 N 0.00 2.66 -1.54 1.97 2.13 -1.26 -4.98 120.64 119.63 1kf7 n GLU 2 Ca 0.00 0.95 -0.31 0.00 0.66 0.00 0.00 57.16 58.47 1kf7 n GLU 2 Cb 0.00 -2.75 0.07 0.00 0.27 0.00 0.00 31.44 29.03 1kf7 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1kf7 s THR 3 N 0.39 3.69 0.28 6.31 -4.23 -1.26 -4.86 115.64 115.95 1kf7 s THR 3 Ca 0.68 0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 61.72 1kf7 s THR 3 Cb -0.52 -3.27 0.20 0.00 1.34 0.00 0.00 72.50 70.25 1kf7 s THR 3 CO 0.43 -0.72 1.87 0.00 -0.54 0.00 0.00 174.62 175.67 1kf7 h ALA 4 N -0.87 1.26 -0.51 3.99 0.00 -1.95 -0.64 119.26 120.55 1kf7 h ALA 4 Ca -0.45 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1kf7 h ALA 4 Cb 1.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1kf7 h ALA 4 CO 0.57 0.56 0.12 0.00 0.00 0.00 0.00 179.25 180.50 1kf7 h ALA 5 N 1.37 0.67 -0.33 0.00 0.00 -1.89 -1.37 119.26 117.71 1kf7 h ALA 5 Ca 0.24 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1kf7 h ALA 5 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1kf7 h ALA 5 CO -0.03 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 179.32 1kf7 h ALA 6 N 0.99 0.91 -0.68 0.00 0.00 -1.79 -2.41 119.26 116.28 1kf7 h ALA 6 Ca 0.16 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1kf7 h ALA 6 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1kf7 h ALA 6 CO 0.00 0.62 0.13 -0.22 0.00 0.00 0.00 179.25 179.78 1kf7 h LYS 7 N 0.59 1.11 -0.49 0.00 3.64 -0.93 -1.02 116.57 119.46 1kf7 h LYS 7 Ca 0.08 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1kf7 h LYS 7 Cb 0.76 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1kf7 h LYS 7 CO 0.06 0.99 0.29 0.35 -2.27 0.00 0.00 179.45 178.88 1kf7 h PHE 8 N 1.04 0.55 -0.31 1.91 3.57 -0.99 0.25 116.94 122.96 1kf7 h PHE 8 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1kf7 h PHE 8 Cb 0.41 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1kf7 h PHE 8 CO 0.03 0.32 0.19 1.49 -2.23 0.00 0.00 178.31 178.11 1kf7 h GLU 9 N 0.59 0.41 -0.68 1.11 4.81 -1.01 -0.52 114.58 119.29 1kf7 h GLU 9 Ca 0.20 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1kf7 h GLU 9 Cb 0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1kf7 h GLU 9 CO -0.09 0.29 0.22 -0.09 -0.73 0.00 0.00 179.01 178.61 1kf7 h ARG 10 N 0.40 1.05 0.01 1.92 2.43 -0.88 -1.94 114.38 117.37 1kf7 h ARG 10 Ca 0.11 -0.22 -0.20 0.00 -0.81 0.00 0.00 59.98 58.86 1kf7 h ARG 10 Cb -0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1kf7 h ARG 10 CO -0.02 0.91 -0.92 0.37 -1.51 0.00 0.00 179.97 178.79 1kf7 h GLN 11 N 0.99 0.06 0.00 0.20 4.15 -0.82 -3.42 115.11 116.28 1kf7 h GLN 11 Ca 0.22 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1kf7 h GLN 11 Cb 0.29 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1kf7 h GLN 11 CO -0.01 0.94 -0.61 0.72 -1.93 0.00 0.00 178.83 177.94 1kf7 n HIS 12 N -3.51 0.00 -3.72 3.99 8.25 -0.21 -4.74 115.22 115.27 1kf7 n HIS 12 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 1kf7 n HIS 12 Cb 0.86 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.90 1kf7 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1kf7 s MET 13 N -1.31 3.92 -0.41 -0.41 -1.94 -0.73 -0.09 119.30 118.32 1kf7 s MET 13 Ca 0.00 -0.06 0.04 0.00 -1.71 0.00 0.00 55.69 53.95 1kf7 s MET 13 Cb 0.00 -3.32 0.17 0.00 2.01 0.00 0.00 34.83 33.68 1kf7 s MET 13 CO 0.00 0.49 0.36 0.34 -0.01 0.00 0.00 175.02 176.20 1kf7 s ASP 14 N -0.24 1.37 0.00 3.03 2.15 -0.18 -4.86 116.67 117.94 1kf7 s ASP 14 Ca 0.14 -2.72 0.27 0.00 0.43 0.00 0.00 52.55 50.66 1kf7 s ASP 14 Cb -0.12 -0.16 1.43 0.00 -0.30 0.00 0.00 42.92 43.77 1kf7 s ASP 14 CO 0.03 -0.19 1.92 -1.54 -0.17 0.00 0.00 175.17 175.22 1kf7 n SER 15 N 3.12 0.00 -0.04 -0.34 3.41 -1.26 -3.60 113.62 114.91 1kf7 n SER 15 Ca 0.25 -0.34 0.13 0.00 -0.26 0.00 0.00 58.87 58.64 1kf7 n SER 15 Cb 0.47 -0.19 0.40 0.00 -0.26 0.00 0.00 64.21 64.62 1kf7 n SER 15 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kf7 n SER 16 N -1.19 0.45 -4.06 4.04 7.64 -1.26 -4.84 113.62 114.39 1kf7 n SER 16 Ca 0.15 -0.20 -0.10 0.00 1.01 0.00 0.00 58.87 59.73 1kf7 n SER 16 Cb 0.17 0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.29 1kf7 n SER 16 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1kf7 s THR 17 N -2.87 0.35 -0.25 0.44 -1.32 -1.24 -5.06 115.64 105.70 1kf7 s THR 17 Ca 0.16 -1.37 0.22 0.00 -1.21 0.00 0.00 61.69 59.48 1kf7 s THR 17 Cb 0.18 -0.93 0.03 0.00 -1.51 0.00 0.00 72.50 70.27 1kf7 s THR 17 CO 0.61 -0.67 1.10 -1.28 -2.21 0.00 0.00 174.62 172.17 1kf7 h SER 18 N 3.92 0.00 -4.74 8.08 0.87 -1.87 -3.44 113.55 116.37 1kf7 h SER 18 Ca -0.34 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.40 1kf7 h SER 18 Cb 1.18 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.99 1kf7 h SER 18 CO 0.52 0.07 0.61 0.00 -0.53 0.00 0.00 176.83 177.50 1kf7 s ALA 19 N -3.29 -1.91 0.29 6.23 0.00 -1.26 -4.84 121.76 116.98 1kf7 s ALA 19 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 1kf7 s ALA 19 Cb 0.09 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.40 1kf7 s ALA 19 CO 0.78 -0.75 1.45 0.00 0.00 0.00 0.00 175.76 177.24 1kf7 s ALA 20 N -2.88 3.62 -1.24 0.00 0.00 -1.26 -4.93 121.76 115.06 1kf7 s ALA 20 Ca 0.08 1.40 0.16 0.00 0.00 0.00 0.00 51.96 53.59 1kf7 s ALA 20 Cb -0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1kf7 s ALA 20 CO -0.06 -0.81 0.79 -1.13 0.00 0.00 0.00 175.76 174.55 1kf7 n SER 21 N 1.75 1.35 -3.78 0.00 3.41 -1.26 -5.00 113.62 110.10 1kf7 n SER 21 Ca 0.05 -1.17 -0.08 0.00 -0.26 0.00 0.00 58.87 57.40 1kf7 n SER 21 Cb 0.40 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 64.96 1kf7 n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kf7 s SER 22 N -2.06 -0.32 0.44 4.04 1.04 -1.26 -5.02 113.70 110.56 1kf7 s SER 22 Ca 0.11 -0.50 0.30 0.00 0.48 0.00 0.00 55.95 56.34 1kf7 s SER 22 Cb 0.12 0.70 1.55 0.00 0.10 0.00 0.00 66.02 68.50 1kf7 s SER 22 CO 0.47 -1.27 1.91 0.77 0.98 0.00 0.00 173.24 176.10 1kf7 h SER 23 N 2.01 0.00 0.42 7.02 4.64 -1.94 -2.49 113.55 123.21 1kf7 h SER 23 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1kf7 h SER 23 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1kf7 h SER 23 CO 0.26 0.00 -0.40 -3.20 -0.87 0.00 0.00 176.83 172.62 1kf7 n ASN 24 N -2.56 0.65 0.02 4.97 5.15 -1.26 -4.43 115.26 117.79 1kf7 n ASN 24 Ca -0.01 -0.44 -0.12 0.00 -0.60 0.00 0.00 54.58 53.41 1kf7 n ASN 24 Cb 0.09 0.19 -0.05 0.00 -0.53 0.00 0.00 39.78 39.47 1kf7 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kf7 h TYR 25 N 0.39 -1.03 -0.49 1.20 3.20 -1.84 -1.34 116.97 117.06 1kf7 h TYR 25 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1kf7 h TYR 25 Cb 0.50 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1kf7 h TYR 25 CO 0.00 -0.44 0.24 0.00 -1.64 0.00 0.00 178.16 176.32 1kf7 h ASN 27 N 0.64 0.34 -0.20 0.00 2.35 -1.71 0.23 115.58 117.24 1kf7 h ASN 27 Ca 0.17 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1kf7 h ASN 27 Cb 0.11 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1kf7 h ASN 27 CO -0.02 0.19 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.10 1kf7 h GLN 28 N 0.50 0.51 -0.19 0.81 5.75 -0.94 -3.14 115.11 118.42 1kf7 h GLN 28 Ca 0.34 -0.29 -0.20 0.00 -0.15 0.00 0.00 58.65 58.36 1kf7 h GLN 28 Cb 0.41 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1kf7 h GLN 28 CO -0.30 0.87 -0.67 0.52 -2.65 0.00 0.00 178.83 176.61 1kf7 h MET 29 N 0.18 0.72 -0.83 1.69 2.86 -0.82 -0.78 114.93 117.96 1kf7 h MET 29 Ca 0.03 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.12 1kf7 h MET 29 Cb 0.80 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 1kf7 h MET 29 CO 0.06 1.14 0.42 0.52 1.06 0.00 0.00 176.91 180.11 1kf7 h MET 30 N 0.52 1.17 -0.06 1.72 2.86 -1.06 -1.33 114.93 118.75 1kf7 h MET 30 Ca -0.02 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1kf7 h MET 30 Cb 1.27 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1kf7 h MET 30 CO 0.13 0.88 -0.06 -0.22 1.06 0.00 0.00 176.91 178.70 1kf7 h LYS 31 N 1.17 0.15 0.00 1.72 3.64 -1.48 -1.37 116.57 120.40 1kf7 h LYS 31 Ca 0.29 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 1kf7 h LYS 31 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1kf7 h LYS 31 CO -0.04 0.61 -0.37 1.03 -2.27 0.00 0.00 179.45 178.41 1kf7 h SER 32 N -0.30 0.00 -0.19 4.20 0.87 -0.95 -1.83 113.55 115.34 1kf7 h SER 32 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1kf7 h SER 32 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1kf7 h SER 32 CO 0.02 0.37 0.00 0.54 -0.53 0.00 0.00 176.83 177.22 1kf7 n ARG 33 N -4.07 1.58 -2.21 2.24 5.12 -0.52 -4.91 116.66 113.88 1kf7 n ARG 33 Ca -0.02 -0.89 -0.11 0.00 -1.93 0.00 0.00 57.85 54.90 1kf7 n ARG 33 Cb 0.41 -1.29 -0.01 0.00 -1.16 0.00 0.00 32.46 30.41 1kf7 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1kf7 n ASN 34 N 0.15 -3.69 -0.30 0.55 5.15 -0.69 -4.87 115.26 111.57 1kf7 n ASN 34 Ca 0.13 -0.01 0.13 0.00 -0.60 0.00 0.00 54.58 54.23 1kf7 n ASN 34 Cb 0.25 -2.92 0.39 0.00 -0.53 0.00 0.00 39.78 36.96 1kf7 n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1kf7 n LEU 35 N -1.64 1.14 -0.18 1.20 4.77 -0.52 -3.74 117.00 118.04 1kf7 n LEU 35 Ca -0.14 -0.32 0.06 0.00 -0.03 0.00 0.00 56.01 55.59 1kf7 n LEU 35 Cb 0.60 -0.10 0.11 0.00 -2.33 0.00 0.00 43.42 41.70 1kf7 n LEU 35 CO 0.16 0.21 0.57 0.35 -1.33 0.00 0.00 177.39 177.34 1kf7 n THR 36 N -0.49 1.56 -0.05 -5.08 -2.24 -1.22 -3.61 114.28 103.15 1kf7 n THR 36 Ca 0.13 -1.69 -0.12 0.00 -2.27 0.00 0.00 64.05 60.10 1kf7 n THR 36 Cb 0.35 0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1kf7 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1kf7 h LYS 37 N 0.35 0.27 0.00 -0.78 3.64 -1.90 -3.33 116.57 114.81 1kf7 h LYS 37 Ca 0.00 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 1kf7 h LYS 37 Cb 0.85 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1kf7 h LYS 37 CO 0.02 0.50 -2.11 -0.25 -2.27 0.00 0.00 179.45 175.34 1kf7 n ASP 38 N -4.75 0.05 -3.56 4.20 10.43 -1.26 -5.02 116.55 116.64 1kf7 n ASP 38 Ca -0.05 0.02 -0.08 0.00 2.57 0.00 0.00 54.79 57.25 1kf7 n ASP 38 Cb 0.22 1.49 -0.02 0.00 1.84 0.00 0.00 41.12 44.65 1kf7 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kf7 s ARG 39 N -3.08 1.06 -0.36 -1.24 1.70 -1.25 -5.11 118.95 110.66 1kf7 s ARG 39 Ca -0.08 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 1kf7 s ARG 39 Cb 0.11 0.44 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1kf7 s ARG 39 CO 0.87 -0.47 1.14 0.00 -1.08 0.00 0.00 175.30 175.76 1kf7 s LYS 41 N 3.98 4.28 0.19 0.00 2.20 -1.24 -4.91 119.74 124.25 1kf7 s LYS 41 Ca 0.48 2.19 0.01 0.00 -0.36 0.00 0.00 55.97 58.29 1kf7 s LYS 41 Cb -0.12 -3.20 0.11 0.00 -1.51 0.00 0.00 37.83 33.11 1kf7 s LYS 41 CO 0.21 -0.49 1.47 -1.00 -0.36 0.00 0.00 175.35 175.19 1kf7 h PRO 42 N 6.62 0.34 -3.73 4.03 0.13 -1.94 -3.44 132.00 134.00 1kf7 h PRO 42 Ca -0.43 -0.27 -0.15 0.00 -0.87 0.00 0.00 66.00 64.28 1kf7 h PRO 42 Cb 1.21 0.05 -0.21 0.00 0.13 0.00 0.00 31.00 32.18 1kf7 h PRO 42 CO 0.87 0.91 -0.58 0.54 -0.23 0.00 0.00 178.00 179.50 1kf7 s VAL 43 N -3.63 0.10 0.11 1.56 0.11 -1.26 -1.25 120.40 116.14 1kf7 s VAL 43 Ca -0.05 -0.80 -0.23 0.00 -2.93 0.00 0.00 61.98 57.96 1kf7 s VAL 43 Cb 0.11 -0.38 0.06 0.00 -1.53 0.00 0.00 36.38 34.65 1kf7 s VAL 43 CO 0.83 -0.44 0.58 0.21 -3.33 0.00 0.00 175.10 172.95 1kf7 s ASN 44 N -1.45 -0.53 -0.04 3.54 2.47 -0.46 -5.01 114.94 113.46 1kf7 s ASN 44 Ca -0.15 0.09 0.04 0.00 0.42 0.00 0.00 52.86 53.26 1kf7 s ASN 44 Cb -0.08 0.57 -0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1kf7 s ASN 44 CO 0.00 -0.88 -0.15 -0.89 -3.72 0.00 0.00 177.10 171.46 1kf7 s THR 45 N -3.25 1.28 -0.01 -5.21 2.01 -1.26 -0.62 115.64 108.58 1kf7 s THR 45 Ca -0.01 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1kf7 s THR 45 Cb -0.01 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1kf7 s THR 45 CO -0.08 0.37 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.81 1kf7 s PHE 46 N 0.05 2.96 -0.17 4.92 0.08 -0.16 -4.43 117.98 121.23 1kf7 s PHE 46 Ca -0.03 0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.02 1kf7 s PHE 46 Cb -0.11 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1kf7 s PHE 46 CO 0.02 0.40 -0.13 0.08 -0.10 0.00 0.00 175.22 175.48 1kf7 s VAL 47 N -0.99 2.84 -1.00 -0.44 1.01 0.86 -0.80 120.40 121.88 1kf7 s VAL 47 Ca 0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1kf7 s VAL 47 Cb -0.11 -2.22 0.31 0.00 0.00 0.00 0.00 36.38 34.36 1kf7 s VAL 47 CO 0.07 0.50 1.58 1.41 0.00 0.00 0.00 175.10 178.66 1kf7 n HIS 48 N 4.18 2.69 -4.15 5.22 -0.00 0.15 -1.01 115.22 122.30 1kf7 n HIS 48 Ca -0.19 -2.74 -0.10 0.00 -0.00 0.00 0.00 57.72 54.69 1kf7 n HIS 48 Cb 0.51 -1.14 -0.10 0.00 -0.00 0.00 0.00 29.99 29.27 1kf7 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1kf7 s GLU 49 N -3.60 0.96 0.64 -0.41 0.41 -1.26 -4.60 118.70 110.84 1kf7 s GLU 49 Ca 0.37 -1.44 -0.18 0.00 -0.41 0.00 0.00 54.97 53.31 1kf7 s GLU 49 Cb 0.14 0.25 -0.01 0.00 -1.78 0.00 0.00 34.13 32.73 1kf7 s GLU 49 CO -0.03 -0.28 1.23 -1.54 -0.49 0.00 0.00 175.26 174.15 1kf7 s SER 50 N -3.05 4.81 0.23 -0.19 1.04 -1.26 -4.15 113.70 111.12 1kf7 s SER 50 Ca 0.25 2.43 -0.08 0.00 0.48 0.00 0.00 55.95 59.04 1kf7 s SER 50 Cb 0.07 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.81 1kf7 s SER 50 CO 0.03 -1.86 1.89 0.25 0.98 0.00 0.00 173.24 174.53 1kf7 h LEU 51 N 0.50 1.07 -1.06 2.42 5.85 -1.98 -2.29 115.31 119.82 1kf7 h LEU 51 Ca -0.50 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1kf7 h LEU 51 Cb 1.31 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1kf7 h LEU 51 CO 0.53 0.80 0.45 0.00 -0.34 0.00 0.00 178.44 179.88 1kf7 h ALA 52 N 1.31 1.29 -0.15 1.25 0.00 -1.99 0.64 119.26 121.61 1kf7 h ALA 52 Ca 0.33 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1kf7 h ALA 52 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1kf7 h ALA 52 CO -0.07 0.59 -0.36 -0.44 0.00 0.00 0.00 179.25 178.98 1kf7 h ASP 53 N 1.11 0.32 -0.02 0.00 3.32 -1.80 -1.32 116.42 118.03 1kf7 h ASP 53 Ca 0.28 -0.12 -0.20 0.00 0.02 0.00 0.00 57.03 57.01 1kf7 h ASP 53 Cb 0.00 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.48 1kf7 h ASP 53 CO -0.05 0.65 -0.76 0.58 -1.72 0.00 0.00 179.24 177.94 1kf7 h VAL 54 N 0.26 1.36 -0.60 -1.35 2.07 -1.03 -3.20 116.25 113.77 1kf7 h VAL 54 Ca 0.03 -2.10 0.05 0.00 0.82 0.00 0.00 66.70 65.50 1kf7 h VAL 54 Cb 0.75 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 1kf7 h VAL 54 CO 0.06 0.63 0.40 1.56 0.02 0.00 0.00 177.57 180.24 1kf7 h GLN 55 N 0.14 0.59 0.00 1.57 4.20 -0.78 -1.83 115.11 119.01 1kf7 h GLN 55 Ca -0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1kf7 h GLN 55 Cb 1.44 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.09 1kf7 h GLN 55 CO 0.15 0.39 -0.01 0.00 -0.67 0.00 0.00 178.83 178.69 1kf7 h ALA 56 N 1.67 1.07 -0.05 3.87 0.00 -1.23 -2.59 119.26 122.00 1kf7 h ALA 56 Ca 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1kf7 h ALA 56 Cb 0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1kf7 h ALA 56 CO -0.07 0.01 0.04 0.28 0.00 0.00 0.00 179.25 179.51 1kf7 h VAL 57 N 0.00 0.88 0.00 0.00 2.07 -1.39 -1.22 116.25 116.58 1kf7 h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1kf7 h VAL 57 Cb 0.14 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1kf7 h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1kf7 n SER 59 N -1.49 2.92 0.00 0.00 7.64 -0.46 -5.00 113.62 117.23 1kf7 n SER 59 Ca 0.01 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1kf7 n SER 59 Cb 0.05 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1kf7 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kf7 n GLN 60 N 0.63 2.08 -2.83 1.43 6.02 -0.33 -5.01 117.38 119.38 1kf7 n GLN 60 Ca 0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1kf7 n GLN 60 Cb 0.43 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.65 1kf7 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1kf7 s LYS 61 N 4.64 3.97 0.05 -1.09 2.20 -1.03 -4.87 119.74 123.61 1kf7 s LYS 61 Ca 0.00 0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 56.04 1kf7 s LYS 61 Cb 0.00 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1kf7 s LYS 61 CO 0.00 -0.79 1.20 1.21 -0.36 0.00 0.00 175.35 176.61 1kf7 s ASN 62 N 1.66 7.07 0.08 1.43 3.04 -1.26 -0.43 114.94 126.53 1kf7 s ASN 62 Ca 0.37 2.00 -0.03 0.00 0.04 0.00 0.00 52.86 55.24 1kf7 s ASN 62 Cb -0.13 -2.58 -0.03 0.00 -1.54 0.00 0.00 41.25 36.97 1kf7 s ASN 62 CO 0.14 -0.48 0.05 0.68 -3.04 0.00 0.00 177.10 174.45 1kf7 s VAL 63 N 1.17 0.17 0.28 -5.21 -7.23 -0.27 -4.92 120.40 104.40 1kf7 s VAL 63 Ca 0.59 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 1kf7 s VAL 63 Cb -0.29 -1.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 1kf7 s VAL 63 CO 0.29 -0.79 1.25 0.00 -0.31 0.00 0.00 175.10 175.53 1kf7 s ALA 64 N -3.93 3.48 0.94 1.32 0.00 -1.26 -3.18 121.76 119.12 1kf7 s ALA 64 Ca 0.10 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 1kf7 s ALA 64 Cb 0.07 -3.43 0.16 0.00 0.00 0.00 0.00 23.12 19.91 1kf7 s ALA 64 CO -0.07 -0.47 1.09 0.00 0.00 0.00 0.00 175.76 176.30 1kf7 h LYS 66 N -1.73 0.30 -0.19 0.00 1.57 -1.91 -1.07 116.57 113.54 1kf7 h LYS 66 Ca -0.51 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1kf7 h LYS 66 Cb 1.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1kf7 h LYS 66 CO 0.54 0.20 0.00 0.27 -0.57 0.00 0.00 179.45 179.89 1kf7 n ASN 67 N -4.49 1.71 0.00 0.86 6.94 -1.26 -4.93 115.26 114.09 1kf7 n ASN 67 Ca 0.03 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 1kf7 n ASN 67 Cb 0.18 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1kf7 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kf7 n GLY 68 N 1.12 0.64 3.72 4.83 0.00 -0.40 -5.06 105.19 110.03 1kf7 n GLY 68 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1kf7 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kf7 s GLN 69 N -0.88 1.95 -0.11 1.61 -0.21 -1.26 -4.65 119.66 116.10 1kf7 s GLN 69 Ca 0.00 1.63 0.14 0.00 0.02 0.00 0.00 55.36 57.15 1kf7 s GLN 69 Cb 0.00 -1.82 0.39 0.00 1.00 0.00 0.00 33.01 32.58 1kf7 s GLN 69 CO 0.00 -1.95 1.30 0.25 -2.12 0.00 0.00 175.29 172.77 1kf7 n THR 70 N -3.11 1.80 -1.07 -0.19 -2.24 -1.26 -0.32 114.28 107.90 1kf7 n THR 70 Ca 0.12 -1.65 -0.20 0.00 -2.27 0.00 0.00 64.05 60.06 1kf7 n THR 70 Cb 0.51 -0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.93 1kf7 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1kf7 n ASN 71 N -0.40 3.87 -4.94 3.42 6.94 -1.26 -4.74 115.26 118.15 1kf7 n ASN 71 Ca 0.16 -3.45 -0.26 0.00 -0.02 0.00 0.00 54.58 51.01 1kf7 n ASN 71 Cb 0.68 -0.81 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 1kf7 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kf7 s TYR 73 N -1.74 -0.02 -0.13 0.00 1.51 0.20 -1.11 117.35 116.07 1kf7 s TYR 73 Ca 0.35 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.48 1kf7 s TYR 73 Cb -0.11 -0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.63 1kf7 s TYR 73 CO 0.29 -0.05 0.04 -1.14 -1.11 0.00 0.00 175.55 173.58 1kf7 s GLN 74 N 0.43 3.42 0.38 -0.62 0.74 0.42 -1.39 119.66 123.04 1kf7 s GLN 74 Ca -0.03 -0.35 -0.26 0.00 0.05 0.00 0.00 55.36 54.77 1kf7 s GLN 74 Cb -0.05 -3.00 -0.09 0.00 1.10 0.00 0.00 33.01 30.97 1kf7 s GLN 74 CO -0.01 0.55 1.22 -1.54 -0.55 0.00 0.00 175.29 174.96 1kf7 s SER 75 N -0.44 6.58 0.33 6.67 1.04 -0.28 -2.46 113.70 125.14 1kf7 s SER 75 Ca 0.09 2.47 0.14 0.00 0.48 0.00 0.00 55.95 59.13 1kf7 s SER 75 Cb -0.12 -2.63 0.55 0.00 0.10 0.00 0.00 66.02 63.93 1kf7 s SER 75 CO 0.02 -0.65 1.70 1.88 0.98 0.00 0.00 173.24 177.17 1kf7 h TYR 76 N 2.88 0.00 -2.57 5.02 0.05 -1.95 -3.44 116.97 116.95 1kf7 h TYR 76 Ca -0.49 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.71 1kf7 h TYR 76 Cb 1.23 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.87 1kf7 h TYR 76 CO 0.55 0.48 -0.66 -1.12 -1.05 0.00 0.00 178.16 176.36 1kf7 s SER 77 N -6.69 4.59 0.57 3.88 0.01 -1.26 -5.08 113.70 109.72 1kf7 s SER 77 Ca -0.01 -0.54 -0.16 0.00 1.31 0.00 0.00 55.95 56.55 1kf7 s SER 77 Cb 0.12 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.41 1kf7 s SER 77 CO 0.73 0.05 1.05 0.42 0.41 0.00 0.00 173.24 175.89 1kf7 s THR 78 N -2.01 3.88 0.11 1.44 -4.23 -1.26 -4.50 115.64 109.08 1kf7 s THR 78 Ca 0.29 0.93 0.05 0.00 -1.18 0.00 0.00 61.69 61.78 1kf7 s THR 78 Cb -0.08 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1kf7 s THR 78 CO 0.19 -0.49 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.61 1kf7 s MET 79 N -3.97 0.96 -0.13 3.99 -1.94 0.40 -4.87 119.30 113.74 1kf7 s MET 79 Ca 0.64 -1.20 -0.29 0.00 -1.71 0.00 0.00 55.69 53.12 1kf7 s MET 79 Cb -0.15 -0.79 -0.02 0.00 2.01 0.00 0.00 34.83 35.87 1kf7 s MET 79 CO 0.34 0.15 1.23 0.45 -0.01 0.00 0.00 175.02 177.18 1kf7 s SER 80 N -2.40 6.99 0.12 3.03 0.15 -1.26 -1.73 113.70 118.60 1kf7 s SER 80 Ca 0.07 1.72 0.03 0.00 0.70 0.00 0.00 55.95 58.47 1kf7 s SER 80 Cb -0.05 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1kf7 s SER 80 CO 0.02 -0.69 -0.09 0.27 1.20 0.00 0.00 173.24 173.96 1kf7 s ILE 81 N 3.00 0.96 -0.11 6.45 -4.36 -0.56 -0.68 121.20 125.90 1kf7 s ILE 81 Ca 0.54 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 1kf7 s ILE 81 Cb -0.22 -1.75 0.01 0.00 1.25 0.00 0.00 42.46 41.75 1kf7 s ILE 81 CO 0.17 -0.79 -0.19 -0.89 0.24 0.00 0.00 174.94 173.48 1kf7 s THR 82 N -3.39 1.76 -0.11 8.37 2.01 0.02 -1.37 115.64 122.92 1kf7 s THR 82 Ca 0.14 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.19 1kf7 s THR 82 Cb 0.03 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1kf7 s THR 82 CO -0.02 0.49 0.32 -1.81 -0.69 0.00 0.00 174.62 172.91 1kf7 s ASP 83 N 0.74 6.54 -0.11 3.53 1.01 -0.08 -0.99 116.67 127.31 1kf7 s ASP 83 Ca -0.11 0.64 0.03 0.00 0.71 0.00 0.00 52.55 53.83 1kf7 s ASP 83 Cb -0.16 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1kf7 s ASP 83 CO 0.02 0.19 -0.23 0.00 0.21 0.00 0.00 175.17 175.35 1kf7 s ARG 85 N 0.51 0.35 0.36 0.00 3.52 -0.89 -1.35 118.95 121.44 1kf7 s ARG 85 Ca -0.15 -0.06 -0.28 0.00 -0.13 0.00 0.00 55.73 55.10 1kf7 s ARG 85 Cb -0.17 -0.41 -0.11 0.00 -1.56 0.00 0.00 34.95 32.70 1kf7 s ARG 85 CO 0.05 -0.01 1.49 -1.91 -0.81 0.00 0.00 175.30 174.12 1kf7 n GLU 86 N 3.47 2.63 -2.67 5.12 2.13 -0.38 -0.61 120.64 130.33 1kf7 n GLU 86 Ca -0.19 0.93 -0.22 0.00 0.66 0.00 0.00 57.16 58.34 1kf7 n GLU 86 Cb 0.55 -2.65 0.06 0.00 0.27 0.00 0.00 31.44 29.67 1kf7 n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1kf7 s THR 87 N -0.88 2.46 0.22 6.31 -4.23 -0.43 -4.79 115.64 114.28 1kf7 s THR 87 Ca 0.56 -0.69 0.33 0.00 -1.18 0.00 0.00 61.69 60.71 1kf7 s THR 87 Cb -0.49 -2.77 0.37 0.00 1.34 0.00 0.00 72.50 70.95 1kf7 s THR 87 CO 0.61 0.00 2.03 1.23 -0.54 0.00 0.00 174.62 177.94 1kf7 h GLY 88 N -0.10 0.00 -0.08 3.99 0.00 -1.95 -1.98 103.07 102.96 1kf7 h GLY 88 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1kf7 h GLY 88 CO 0.47 0.00 -0.12 -1.14 0.00 0.00 0.00 176.54 175.75 1kf7 n SER 89 N -3.19 1.23 -4.73 0.19 3.41 -1.26 -4.93 113.62 104.34 1kf7 n SER 89 Ca -0.00 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.01 1kf7 n SER 89 Cb 0.28 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1kf7 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kf7 s SER 90 N -2.24 6.70 -0.25 4.04 0.15 -0.75 -4.86 113.70 116.49 1kf7 s SER 90 Ca 0.32 2.57 -0.04 0.00 0.70 0.00 0.00 55.95 59.50 1kf7 s SER 90 Cb 0.20 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 62.04 1kf7 s SER 90 CO 0.42 -0.70 0.46 -0.75 1.20 0.00 0.00 173.24 173.88 1kf7 s LYS 91 N 0.19 0.42 0.18 5.44 2.20 -0.98 -4.90 119.74 122.28 1kf7 s LYS 91 Ca 0.62 0.82 -0.33 0.00 -0.36 0.00 0.00 55.97 56.72 1kf7 s LYS 91 Cb -0.41 0.04 -0.16 0.00 -1.51 0.00 0.00 37.83 35.80 1kf7 s LYS 91 CO 0.38 -0.53 1.14 0.98 -0.36 0.00 0.00 175.35 176.97 1kf7 n TYR 92 N 5.39 1.26 1.11 4.03 9.36 -1.26 -0.39 117.16 136.67 1kf7 n TYR 92 Ca -0.05 0.69 0.11 0.00 3.32 0.00 0.00 57.90 61.97 1kf7 n TYR 92 Cb 0.50 -2.27 0.35 0.00 -0.63 0.00 0.00 39.34 37.29 1kf7 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1kf7 n PRO 93 N 1.68 1.83 -2.42 2.98 -0.04 -1.26 -4.96 135.00 132.82 1kf7 n PRO 93 Ca 0.15 -1.24 -0.42 0.00 -0.04 0.00 0.00 63.50 61.94 1kf7 n PRO 93 Cb 0.25 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1kf7 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kf7 n ASN 94 N 0.47 5.84 -4.74 3.54 5.03 0.48 -5.00 115.26 120.88 1kf7 n ASN 94 Ca 0.16 -3.19 -0.41 0.00 0.87 0.00 0.00 54.58 52.01 1kf7 n ASN 94 Cb 0.36 -1.41 -0.03 0.00 -1.02 0.00 0.00 39.78 37.69 1kf7 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kf7 s ALA 96 N -0.11 0.46 0.03 0.00 0.00 -1.26 -4.93 121.76 115.96 1kf7 s ALA 96 Ca 0.56 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.34 1kf7 s ALA 96 Cb -0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1kf7 s ALA 96 CO 0.41 0.09 -0.08 0.71 0.00 0.00 0.00 175.76 176.89 1kf7 s TYR 97 N 0.01 0.68 -0.07 0.00 2.02 -1.26 -1.32 117.35 117.41 1kf7 s TYR 97 Ca 0.00 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.11 1kf7 s TYR 97 Cb -0.04 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 41.06 1kf7 s TYR 97 CO -0.00 -0.06 0.50 0.21 -1.57 0.00 0.00 175.55 174.63 1kf7 s LYS 98 N -1.27 4.27 -0.22 -0.62 2.20 0.22 -4.62 119.74 119.70 1kf7 s LYS 98 Ca -0.07 0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 55.96 1kf7 s LYS 98 Cb -0.08 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1kf7 s LYS 98 CO 0.00 0.29 0.14 0.99 -0.36 0.00 0.00 175.35 176.42 1kf7 s THR 99 N 0.16 5.38 -0.06 3.43 2.01 -1.26 -2.10 115.64 123.20 1kf7 s THR 99 Ca 0.27 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.47 1kf7 s THR 99 Cb -0.16 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1kf7 s THR 99 CO 0.13 0.40 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.47 1kf7 s THR 100 N 0.68 0.92 0.20 -0.82 2.01 -0.37 -4.98 115.64 113.28 1kf7 s THR 100 Ca 0.08 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 1kf7 s THR 100 Cb -0.12 -0.88 -0.08 0.00 0.01 0.00 0.00 72.50 71.43 1kf7 s THR 100 CO 0.01 0.31 0.64 -1.10 -0.69 0.00 0.00 174.62 173.79 1kf7 s GLN 101 N 0.88 4.08 0.21 4.92 -0.21 -1.26 -0.90 119.66 127.37 1kf7 s GLN 101 Ca -0.11 0.64 -0.14 0.00 0.02 0.00 0.00 55.36 55.77 1kf7 s GLN 101 Cb -0.15 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.04 1kf7 s GLN 101 CO 0.01 0.39 0.47 0.00 -2.12 0.00 0.00 175.29 174.04 1kf7 s ALA 102 N -1.58 -0.55 -0.23 6.09 0.00 -0.47 -4.95 121.76 120.07 1kf7 s ALA 102 Ca 0.42 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 1kf7 s ALA 102 Cb -0.15 0.91 0.07 0.00 0.00 0.00 0.00 23.12 23.96 1kf7 s ALA 102 CO 0.20 -0.80 0.06 1.21 0.00 0.00 0.00 175.76 176.44 1kf7 s ASN 103 N -2.94 3.20 0.08 0.00 2.47 -1.26 -1.50 114.94 114.99 1kf7 s ASN 103 Ca 0.15 -1.04 -0.07 0.00 0.42 0.00 0.00 52.86 52.31 1kf7 s ASN 103 Cb -0.00 -0.60 -0.01 0.00 -1.45 0.00 0.00 41.25 39.19 1kf7 s ASN 103 CO 0.02 -0.35 0.15 -0.54 -3.72 0.00 0.00 177.10 172.65 1kf7 s LYS 104 N 1.86 0.80 0.45 0.43 -0.14 -0.71 -4.81 119.74 117.62 1kf7 s LYS 104 Ca 0.03 -1.00 -0.23 0.00 -1.36 0.00 0.00 55.97 53.41 1kf7 s LYS 104 Cb -0.17 0.32 -0.08 0.00 -1.68 0.00 0.00 37.83 36.22 1kf7 s LYS 104 CO -0.16 -0.24 1.15 -1.01 -0.76 0.00 0.00 175.35 174.34 1kf7 s HIS 105 N -3.85 2.92 0.09 3.18 3.76 -1.26 -0.45 115.29 119.68 1kf7 s HIS 105 Ca 0.05 1.55 0.04 0.00 -0.15 0.00 0.00 55.06 56.55 1kf7 s HIS 105 Cb 0.05 -3.36 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 1kf7 s HIS 105 CO -0.11 -1.42 0.03 0.96 -0.85 0.00 0.00 174.74 173.36 1kf7 s ILE 106 N -1.55 4.20 -0.12 0.60 -4.36 -1.26 -1.30 121.20 117.40 1kf7 s ILE 106 Ca 0.63 -0.94 0.01 0.00 -0.26 0.00 0.00 60.65 60.09 1kf7 s ILE 106 Cb -0.28 -3.02 0.02 0.00 1.25 0.00 0.00 42.46 40.43 1kf7 s ILE 106 CO 0.34 0.10 -0.14 -0.63 0.24 0.00 0.00 174.94 174.85 1kf7 s ILE 107 N -1.37 1.50 0.13 8.37 1.01 0.04 -1.13 121.20 129.75 1kf7 s ILE 107 Ca 0.27 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1kf7 s ILE 107 Cb -0.12 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1kf7 s ILE 107 CO 0.20 0.44 -0.16 0.68 0.00 0.00 0.00 174.94 176.10 1kf7 s VAL 108 N 1.19 1.53 -0.12 2.92 -7.23 -0.49 -0.65 120.40 117.56 1kf7 s VAL 108 Ca -0.02 -1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1kf7 s VAL 108 Cb -0.14 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1kf7 s VAL 108 CO -0.05 -0.34 0.16 0.00 -0.31 0.00 0.00 175.10 174.56 1kf7 s ALA 109 N -1.99 3.84 0.10 1.32 0.00 -0.23 -0.63 121.76 124.18 1kf7 s ALA 109 Ca 0.11 -0.61 0.10 0.00 0.00 0.00 0.00 51.96 51.56 1kf7 s ALA 109 Cb -0.06 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1kf7 s ALA 109 CO 0.04 0.55 -0.26 0.00 0.00 0.00 0.00 175.76 176.09 1kf7 s GLU 111 N -1.79 0.96 0.00 0.00 2.02 -0.65 -4.91 118.70 114.33 1kf7 s GLU 111 Ca 0.13 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1kf7 s GLU 111 Cb -0.10 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1kf7 s GLU 111 CO 0.05 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.39 1kf7 n GLY 112 N -0.04 0.15 2.68 -1.39 0.00 -1.26 -2.17 105.19 103.16 1kf7 n GLY 112 Ca -0.16 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 1kf7 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kf7 s ASN 113 N -0.36 3.05 0.58 1.61 3.04 -1.26 -2.86 114.94 118.75 1kf7 s ASN 113 Ca 0.00 -0.97 -0.20 0.00 0.04 0.00 0.00 52.86 51.74 1kf7 s ASN 113 Cb 0.00 -0.52 -0.04 0.00 -1.54 0.00 0.00 41.25 39.16 1kf7 s ASN 113 CO 0.00 -0.35 1.26 -2.16 -3.04 0.00 0.00 177.10 172.81 1kf7 s PRO 114 N 1.92 2.98 -0.44 0.43 0.04 -1.26 -5.10 135.00 133.57 1kf7 s PRO 114 Ca 0.03 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 1kf7 s PRO 114 Cb -0.17 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1kf7 s PRO 114 CO -0.15 -1.24 0.91 -0.47 0.04 0.00 0.00 177.00 176.09 1kf7 s TYR 115 N -1.47 2.96 0.15 0.56 5.04 -1.13 -4.90 117.35 118.55 1kf7 s TYR 115 Ca 0.76 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.85 1kf7 s TYR 115 Cb -0.34 -3.87 -0.05 0.00 0.35 0.00 0.00 41.96 38.05 1kf7 s TYR 115 CO 0.38 -1.03 -0.05 0.14 -1.34 0.00 0.00 175.55 173.65 1kf7 s VAL 116 N 3.64 0.87 0.24 3.14 -7.23 -0.92 -4.87 120.40 115.28 1kf7 s VAL 116 Ca 0.36 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 1kf7 s VAL 116 Cb -0.11 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 1kf7 s VAL 116 CO 0.24 -0.65 1.34 -2.84 -0.31 0.00 0.00 175.10 172.89 1kf7 s PRO 117 N -3.84 4.36 0.00 4.82 0.02 -1.26 -1.63 135.00 137.47 1kf7 s PRO 117 Ca 0.19 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1kf7 s PRO 117 Cb 0.05 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1kf7 s PRO 117 CO 0.01 -0.27 0.00 1.33 -0.33 0.00 0.00 177.00 177.74 1kf7 n VAL 118 N 2.10 0.00 -3.71 3.83 0.24 0.16 -4.52 118.33 116.42 1kf7 n VAL 118 Ca 0.05 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1kf7 n VAL 118 Cb 0.42 0.97 -0.10 0.00 -1.47 0.00 0.00 33.84 33.66 1kf7 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1kf7 s HIS 119 N -0.73 -0.52 -0.36 6.34 5.65 -1.16 -4.67 115.29 119.83 1kf7 s HIS 119 Ca 0.00 1.24 -0.17 0.00 0.25 0.00 0.00 55.06 56.39 1kf7 s HIS 119 Cb 0.00 0.19 -0.00 0.00 -1.18 0.00 0.00 32.58 31.59 1kf7 s HIS 119 CO 0.00 -0.26 0.45 0.12 -0.65 0.00 0.00 174.74 174.40 1kf7 s PHE 120 N 0.39 3.18 -0.19 3.88 2.19 -1.26 -1.06 117.98 125.11 1kf7 s PHE 120 Ca -0.01 -0.02 -0.18 0.00 0.33 0.00 0.00 56.93 57.05 1kf7 s PHE 120 Cb -0.04 -2.84 -0.21 0.00 -1.31 0.00 0.00 43.02 38.62 1kf7 s PHE 120 CO -0.01 -0.54 0.25 0.22 1.83 0.00 0.00 175.22 176.97 1kf7 h ASP 121 N 8.53 0.11 -4.83 6.13 3.58 -1.23 -3.49 116.42 125.22 1kf7 h ASP 121 Ca -0.28 -0.62 0.18 0.00 0.42 0.00 0.00 57.03 56.73 1kf7 h ASP 121 Cb 1.13 -0.04 -0.14 0.00 1.72 0.00 0.00 39.33 42.00 1kf7 h ASP 121 CO 0.75 1.59 0.59 0.00 -2.88 0.00 0.00 179.24 179.29 1kf7 s ALA 122 N -2.41 -1.88 0.06 -0.78 0.00 -1.09 -4.91 121.76 110.75 1kf7 s ALA 122 Ca -0.27 0.90 0.10 0.00 0.00 0.00 0.00 51.96 52.68 1kf7 s ALA 122 Cb 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1kf7 s ALA 122 CO 0.64 -0.79 -0.26 -1.12 0.00 0.00 0.00 175.76 174.23 1kf7 s SER 123 N -2.58 3.16 0.00 0.00 0.01 -1.26 -0.78 113.70 112.25 1kf7 s SER 123 Ca 0.08 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1kf7 s SER 123 Cb -0.00 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1kf7 s SER 123 CO -0.05 0.24 0.00 1.33 0.41 0.00 0.00 173.24 175.17