#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks0 s ASN 7 N 0.00 -0.88 0.28 7.83 -0.87 -1.26 -5.16 114.94 114.88 3ks0 s ASN 7 Ca 0.00 -0.07 0.03 0.00 -1.57 0.00 0.00 52.86 51.25 3ks0 s ASN 7 Cb 0.00 1.69 -0.06 0.00 -0.02 0.00 0.00 41.25 42.86 3ks0 s ASN 7 CO 0.00 -0.32 0.06 -0.75 -2.57 0.00 0.00 177.10 173.52 3ks0 s LYS 8 N 2.68 1.49 0.30 -0.60 2.20 -1.26 -5.16 119.74 119.40 3ks0 s LYS 8 Ca 0.10 -1.80 -0.28 0.00 -0.36 0.00 0.00 55.97 53.63 3ks0 s LYS 8 Cb -0.11 -0.59 -0.09 0.00 -1.51 0.00 0.00 37.83 35.53 3ks0 s LYS 8 CO -0.27 -0.21 1.04 -0.65 -0.36 0.00 0.00 175.35 174.91 3ks0 s GLN 9 N -3.94 4.58 0.40 4.03 -1.52 -1.26 -4.76 119.66 117.19 3ks0 s GLN 9 Ca 0.35 1.63 -0.27 0.00 -1.95 0.00 0.00 55.36 55.12 3ks0 s GLN 9 Cb 0.08 -3.03 -0.10 0.00 -0.22 0.00 0.00 33.01 29.73 3ks0 s GLN 9 CO 0.13 0.21 1.39 1.63 -0.25 0.00 0.00 175.29 178.40 3ks0 n LYS 10 N 0.92 2.30 -5.06 2.91 4.76 -1.26 -4.03 118.16 118.70 3ks0 n LYS 10 Ca 0.00 0.81 -0.32 0.00 -2.87 0.00 0.00 58.31 55.94 3ks0 n LYS 10 Cb 0.47 -2.54 -0.15 0.00 -1.84 0.00 0.00 35.03 30.97 3ks0 n LYS 10 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ks0 s ILE 11 N -1.15 2.61 0.47 -0.18 1.01 0.34 -4.85 121.20 119.44 3ks0 s ILE 11 Ca 0.57 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 3ks0 s ILE 11 Cb -0.49 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 39.90 3ks0 s ILE 11 CO 0.61 0.58 0.97 -0.94 0.00 0.00 0.00 174.94 176.16 3ks0 s SER 12 N -0.53 6.76 0.10 3.58 1.04 -1.26 0.11 113.70 123.50 3ks0 s SER 12 Ca 0.07 1.65 -0.25 0.00 0.48 0.00 0.00 55.95 57.91 3ks0 s SER 12 Cb -0.11 -2.53 -0.11 0.00 0.10 0.00 0.00 66.02 63.36 3ks0 s SER 12 CO 0.01 -0.49 1.70 -0.65 0.98 0.00 0.00 173.24 174.79 3ks0 h PRO 13 N 1.46 -0.22 -1.11 4.02 0.11 -1.87 -2.34 132.00 132.04 3ks0 h PRO 13 Ca -0.48 0.01 0.32 0.00 0.11 0.00 0.00 66.00 65.96 3ks0 h PRO 13 Cb 1.18 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3ks0 h PRO 13 CO 0.61 -0.14 0.79 0.00 -0.21 0.00 0.00 178.00 179.05 3ks0 h ALA 14 N 0.67 2.96 0.14 -0.75 0.00 -1.95 -0.49 119.26 119.85 3ks0 h ALA 14 Ca 0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3ks0 h ALA 14 Cb 0.23 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ks0 h ALA 14 CO -0.05 -1.30 -0.84 1.49 0.00 0.00 0.00 179.25 178.55 3ks0 h GLU 15 N 0.05 0.32 -0.22 0.00 4.57 -1.88 -3.35 114.58 114.06 3ks0 h GLU 15 Ca 0.54 -0.53 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3ks0 h GLU 15 Cb 2.07 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 30.85 3ks0 h GLU 15 CO -0.04 1.25 0.14 0.28 -1.18 0.00 0.00 179.01 179.46 3ks0 h VAL 16 N -0.34 1.08 0.00 0.32 2.07 -0.62 -2.79 116.25 115.98 3ks0 h VAL 16 Ca -0.15 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ks0 h VAL 16 Cb 1.66 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 3ks0 h VAL 16 CO 0.16 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.83 3ks0 h ALA 17 N 1.05 1.00 0.00 1.67 0.00 -1.32 0.12 119.26 121.78 3ks0 h ALA 17 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ks0 h ALA 17 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ks0 h ALA 17 CO -0.02 0.00 -0.22 -0.22 0.00 0.00 0.00 179.25 178.79 3ks0 h LYS 18 N 0.00 0.00 -3.98 0.00 3.64 -1.62 -3.39 116.57 111.22 3ks0 h LYS 18 Ca 0.00 0.00 -0.78 0.00 -1.27 0.00 0.00 60.65 58.60 3ks0 h LYS 18 Cb 0.07 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.64 3ks0 h LYS 18 CO 0.00 0.22 0.56 -1.01 -2.27 0.00 0.00 179.45 176.95 3ks0 s HIS 19 N -3.55 3.91 -0.29 1.91 3.76 0.03 -4.82 115.29 116.23 3ks0 s HIS 19 Ca 0.01 -2.30 0.20 0.00 -0.15 0.00 0.00 55.06 52.82 3ks0 s HIS 19 Cb 0.09 -3.96 0.48 0.00 1.11 0.00 0.00 32.58 30.30 3ks0 s HIS 19 CO 0.64 -1.09 1.07 0.27 -0.85 0.00 0.00 174.74 174.78 3ks0 n ASN 20 N 3.89 1.24 -4.02 1.40 2.04 -0.47 -2.16 115.26 117.18 3ks0 n ASN 20 Ca 0.24 -2.34 -0.09 0.00 -0.44 0.00 0.00 54.58 51.94 3ks0 n ASN 20 Cb 0.43 -0.39 -0.11 0.00 -2.53 0.00 0.00 39.78 37.18 3ks0 n ASN 20 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3ks0 s LYS 21 N -3.17 0.42 0.41 -3.83 -0.14 -0.23 -4.87 119.74 108.33 3ks0 s LYS 21 Ca 0.26 -0.78 0.24 0.00 -1.36 0.00 0.00 55.97 54.34 3ks0 s LYS 21 Cb 0.39 0.06 1.30 0.00 -1.68 0.00 0.00 37.83 37.91 3ks0 s LYS 21 CO -0.01 -0.05 1.65 -1.35 -0.76 0.00 0.00 175.35 174.83 3ks0 h PRO 22 N 4.27 0.17 -0.01 -1.68 0.11 -1.98 0.14 132.00 133.01 3ks0 h PRO 22 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ks0 h PRO 22 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ks0 h PRO 22 CO 0.47 0.11 -0.34 -0.40 -0.21 0.00 0.00 178.00 177.63 3ks0 n ASP 23 N -4.80 1.79 -3.36 -2.05 5.75 -1.26 -4.70 116.55 107.93 3ks0 n ASP 23 Ca 0.34 -1.38 -0.15 0.00 -0.01 0.00 0.00 54.79 53.59 3ks0 n ASP 23 Cb 1.25 0.30 -0.08 0.00 -1.03 0.00 0.00 41.12 41.56 3ks0 n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ks0 s ASP 24 N -2.41 1.08 -0.08 -1.12 -1.08 0.49 -4.95 116.67 108.61 3ks0 s ASP 24 Ca 0.22 -1.22 -0.01 0.00 -0.52 0.00 0.00 52.55 51.02 3ks0 s ASP 24 Cb 0.19 0.67 0.03 0.00 -1.46 0.00 0.00 42.92 42.35 3ks0 s ASP 24 CO 0.52 -0.30 -0.00 0.00 0.52 0.00 0.00 175.17 175.91 3ks0 s TRP 26 N 1.95 2.01 -0.04 0.00 0.52 -0.92 -0.33 118.94 122.13 3ks0 s TRP 26 Ca 0.05 -0.65 -0.26 0.00 0.02 0.00 0.00 56.10 55.26 3ks0 s TRP 26 Cb -0.13 -1.12 0.05 0.00 -1.15 0.00 0.00 33.47 31.13 3ks0 s TRP 26 CO -0.06 0.34 0.56 0.54 0.02 0.00 0.00 176.95 178.35 3ks0 s VAL 27 N -2.94 0.02 -0.45 4.03 0.11 -0.17 0.87 120.40 121.87 3ks0 s VAL 27 Ca 0.29 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.06 3ks0 s VAL 27 Cb 0.03 -0.87 0.08 0.00 -1.53 0.00 0.00 36.38 34.09 3ks0 s VAL 27 CO 0.12 -0.09 0.35 -0.69 -3.33 0.00 0.00 175.10 171.46 3ks0 s VAL 28 N -1.23 4.81 -0.23 2.04 1.01 -0.47 -0.66 120.40 125.68 3ks0 s VAL 28 Ca -0.12 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.56 3ks0 s VAL 28 Cb -0.02 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3ks0 s VAL 28 CO 0.08 -0.57 0.07 -0.63 0.00 0.00 0.00 175.10 174.05 3ks0 s ILE 29 N 1.55 4.40 0.00 2.22 1.01 -0.41 -2.18 121.20 127.79 3ks0 s ILE 29 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3ks0 s ILE 29 Cb -0.24 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.19 3ks0 s ILE 29 CO 0.05 0.36 0.00 -3.20 0.00 0.00 0.00 174.94 172.15 3ks0 n ASN 30 N 4.62 0.00 -1.41 3.58 2.85 -1.26 -2.69 115.26 120.95 3ks0 n ASN 30 Ca -0.16 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.21 3ks0 n ASN 30 Cb 0.52 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.71 3ks0 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ks0 n GLY 31 N 0.00 5.09 3.27 8.20 0.00 -1.26 -4.90 105.19 115.59 3ks0 n GLY 31 Ca 0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 3ks0 n GLY 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ks0 s TYR 32 N -3.33 1.88 -0.14 1.61 5.04 -1.09 -0.04 117.35 121.27 3ks0 s TYR 32 Ca 0.48 -0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 54.64 3ks0 s TYR 32 Cb 0.42 -1.10 -0.04 0.00 0.35 0.00 0.00 41.96 41.59 3ks0 s TYR 32 CO 0.01 0.13 0.14 0.08 -1.34 0.00 0.00 175.55 174.57 3ks0 s VAL 33 N -0.89 5.47 -0.09 3.14 1.01 0.05 -1.29 120.40 127.80 3ks0 s VAL 33 Ca 0.08 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.28 3ks0 s VAL 33 Cb -0.09 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.88 3ks0 s VAL 33 CO 0.03 0.56 -0.07 -0.31 0.00 0.00 0.00 175.10 175.31 3ks0 s TYR 34 N -0.58 1.28 -0.39 5.22 2.02 0.16 -0.07 117.35 124.99 3ks0 s TYR 34 Ca 0.13 -0.56 -0.27 0.00 -0.37 0.00 0.00 57.07 56.00 3ks0 s TYR 34 Cb -0.12 -1.08 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 3ks0 s TYR 34 CO 0.02 -0.41 0.99 0.34 -1.57 0.00 0.00 175.55 174.92 3ks0 s ASP 35 N 1.47 6.69 0.00 2.29 2.15 -0.97 -1.00 116.67 127.30 3ks0 s ASP 35 Ca -0.00 0.57 0.12 0.00 0.43 0.00 0.00 52.55 53.67 3ks0 s ASP 35 Cb -0.13 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 40.04 3ks0 s ASP 35 CO -0.05 -0.96 0.77 0.18 -0.17 0.00 0.00 175.17 174.94 3ks0 n LEU 36 N 7.03 1.60 -0.20 -1.34 4.32 0.55 -4.66 117.00 124.31 3ks0 n LEU 36 Ca 0.09 -0.87 -0.05 0.00 -0.02 0.00 0.00 56.01 55.16 3ks0 n LEU 36 Cb 0.48 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.23 3ks0 n LEU 36 CO 0.62 0.31 0.41 0.41 -1.22 0.00 0.00 177.39 177.92 3ks0 n THR 37 N 0.17 -0.32 0.91 -5.08 -1.04 -1.15 -1.28 114.28 106.48 3ks0 n THR 37 Ca 0.06 1.71 0.00 0.00 -2.04 0.00 0.00 64.05 63.78 3ks0 n THR 37 Cb 0.26 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 3ks0 n THR 37 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ks0 n ARG 38 N -4.09 0.91 0.00 -2.82 3.00 -1.26 -2.96 116.66 109.44 3ks0 n ARG 38 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 3ks0 n ARG 38 Cb 0.12 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.29 3ks0 n ARG 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3ks0 n PHE 39 N 0.24 0.00 -0.34 -1.55 7.35 -0.44 -4.87 117.46 117.86 3ks0 n PHE 39 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 3ks0 n PHE 39 Cb 0.32 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.11 3ks0 n PHE 39 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3ks0 h LEU 40 N 0.00 -1.76 -1.93 -2.13 3.38 -1.08 0.23 115.31 112.01 3ks0 h LEU 40 Ca 0.00 0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.34 3ks0 h LEU 40 Cb 0.06 0.82 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3ks0 h LEU 40 CO 0.00 -0.28 0.42 1.55 0.09 0.00 0.00 178.44 180.22 3ks0 h PRO 41 N -0.08 0.00 -0.01 1.13 0.13 -1.89 -2.40 132.00 128.89 3ks0 h PRO 41 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3ks0 h PRO 41 Cb 0.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 3ks0 h PRO 41 CO -0.87 0.00 -0.60 0.09 -0.23 0.00 0.00 178.00 176.39 3ks0 n ASN 42 N -3.37 1.24 -4.52 1.44 3.02 0.76 -4.96 115.26 108.87 3ks0 n ASN 42 Ca 0.04 -1.12 -0.47 0.00 -0.03 0.00 0.00 54.58 52.99 3ks0 n ASN 42 Cb 0.55 0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 40.42 3ks0 n ASN 42 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3ks0 n HIS 43 N -0.78 1.78 0.30 3.10 -0.00 -0.90 -4.82 115.22 113.90 3ks0 n HIS 43 Ca 0.05 0.10 0.18 0.00 0.46 0.00 0.00 57.72 58.51 3ks0 n HIS 43 Cb 0.32 -2.62 0.94 0.00 -0.12 0.00 0.00 29.99 28.51 3ks0 n HIS 43 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3ks0 h PRO 44 N 13.36 0.00 -0.04 1.57 0.11 -1.93 0.54 132.00 145.61 3ks0 h PRO 44 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ks0 h PRO 44 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ks0 h PRO 44 CO 0.99 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 3ks0 n GLY 45 N -1.22 -0.69 0.35 -0.55 0.00 -1.26 -5.01 105.19 96.80 3ks0 n GLY 45 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.85 3ks0 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks0 n GLY 46 N 0.88 -2.85 0.18 -0.02 0.00 0.19 -4.65 105.19 98.91 3ks0 n GLY 46 Ca 0.15 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 3ks0 n GLY 46 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ks0 h GLN 47 N -0.28 0.56 -0.71 1.61 4.20 -1.78 -3.36 115.11 115.35 3ks0 h GLN 47 Ca -0.04 -0.41 0.15 0.00 0.06 0.00 0.00 58.65 58.41 3ks0 h GLN 47 Cb 0.31 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 28.04 3ks0 h GLN 47 CO 0.02 1.03 -0.05 -0.44 -0.67 0.00 0.00 178.83 178.71 3ks0 h ASP 48 N 0.20 -0.43 -1.06 1.46 5.19 -1.94 -1.51 116.42 118.34 3ks0 h ASP 48 Ca -0.01 0.19 0.28 0.00 -0.62 0.00 0.00 57.03 56.87 3ks0 h ASP 48 Cb 1.07 0.36 -0.09 0.00 0.18 0.00 0.00 39.33 40.85 3ks0 h ASP 48 CO 0.10 -0.18 0.70 0.58 -3.12 0.00 0.00 179.24 177.31 3ks0 h VAL 49 N 0.07 0.50 0.00 -1.35 2.07 -1.83 0.82 116.25 116.53 3ks0 h VAL 49 Ca 0.37 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 3ks0 h VAL 49 Cb 0.62 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3ks0 h VAL 49 CO -0.65 0.06 -0.17 0.40 0.02 0.00 0.00 177.57 177.22 3ks0 h ILE 50 N 0.32 1.41 -0.28 4.57 2.04 -1.53 -3.06 117.51 120.98 3ks0 h ILE 50 Ca 0.59 -2.12 0.05 0.00 1.00 0.00 0.00 64.86 64.38 3ks0 h ILE 50 Cb 1.64 2.73 -0.08 0.00 -0.74 0.00 0.00 36.82 40.37 3ks0 h ILE 50 CO -0.26 0.48 -0.50 0.11 0.00 0.00 0.00 178.15 177.98 3ks0 h LYS 51 N -1.00 -0.43 -1.01 2.37 1.57 -0.79 0.99 116.57 118.27 3ks0 h LYS 51 Ca -0.04 0.03 0.29 0.00 -1.87 0.00 0.00 60.65 59.05 3ks0 h LYS 51 Cb 0.90 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.17 3ks0 h LYS 51 CO -0.03 -0.29 0.59 0.74 -0.57 0.00 0.00 179.45 179.89 3ks0 h PHE 52 N -0.45 0.96 -0.44 -1.35 -1.00 0.45 -2.39 116.94 112.72 3ks0 h PHE 52 Ca 0.08 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.90 3ks0 h PHE 52 Cb 0.63 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.92 3ks0 h PHE 52 CO -0.62 -0.07 0.00 0.09 -1.61 0.00 0.00 178.31 176.10 3ks0 n ASN 53 N -4.97 4.11 -4.77 2.17 4.13 -0.05 -5.05 115.26 110.83 3ks0 n ASN 53 Ca 0.30 -2.56 -0.40 0.00 1.68 0.00 0.00 54.58 53.60 3ks0 n ASN 53 Cb 0.88 -0.49 0.02 0.00 -1.54 0.00 0.00 39.78 38.65 3ks0 n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ks0 s ALA 54 N -2.02 3.21 -1.30 5.41 0.00 0.32 -3.22 121.76 124.17 3ks0 s ALA 54 Ca 0.42 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.81 3ks0 s ALA 54 Cb 0.29 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3ks0 s ALA 54 CO 0.17 -1.18 0.79 0.41 0.00 0.00 0.00 175.76 175.95 3ks0 n GLY 55 N 0.59 -0.32 3.32 0.00 0.00 0.25 -4.63 105.19 104.39 3ks0 n GLY 55 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 3ks0 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ks0 s LYS 56 N -5.88 1.30 -0.66 1.61 1.02 -1.20 -4.54 119.74 111.40 3ks0 s LYS 56 Ca 0.05 -1.52 -0.23 0.00 0.02 0.00 0.00 55.97 54.29 3ks0 s LYS 56 Cb -0.02 0.33 0.07 0.00 -0.52 0.00 0.00 37.83 37.68 3ks0 s LYS 56 CO 0.79 -0.47 0.97 0.34 -0.92 0.00 0.00 175.35 176.06 3ks0 s ASP 57 N -3.12 6.18 -0.14 2.83 3.68 0.13 -1.36 116.67 124.87 3ks0 s ASP 57 Ca 0.34 -0.96 0.09 0.00 2.13 0.00 0.00 52.55 54.15 3ks0 s ASP 57 Cb 0.05 -2.42 0.50 0.00 -1.45 0.00 0.00 42.92 39.60 3ks0 s ASP 57 CO 0.11 -1.44 1.27 1.33 0.13 0.00 0.00 175.17 176.57 3ks0 n VAL 58 N 5.94 1.64 -0.06 1.11 0.24 -0.93 -0.45 118.33 125.82 3ks0 n VAL 58 Ca -0.04 -0.85 -0.07 0.00 -2.04 0.00 0.00 64.34 61.35 3ks0 n VAL 58 Cb 0.45 -0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 32.49 3ks0 n VAL 58 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3ks0 h THR 59 N 2.47 0.60 -0.27 3.34 2.02 -1.84 0.19 112.91 119.42 3ks0 h THR 59 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3ks0 h THR 59 Cb 1.37 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3ks0 h THR 59 CO 0.29 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.30 3ks0 h ALA 60 N 1.12 1.72 0.15 6.16 0.00 -1.82 -2.28 119.26 124.31 3ks0 h ALA 60 Ca 0.14 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.64 3ks0 h ALA 60 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ks0 h ALA 60 CO -0.32 0.24 -1.76 0.82 0.00 0.00 0.00 179.25 178.22 3ks0 h ILE 61 N 0.38 0.90 0.30 0.00 2.04 -1.73 -3.40 117.51 116.00 3ks0 h ILE 61 Ca 0.10 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.40 3ks0 h ILE 61 Cb 0.05 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3ks0 h ILE 61 CO -0.01 0.84 -0.14 0.15 0.00 0.00 0.00 178.15 178.99 3ks0 h PHE 62 N 0.09 -0.37 -1.02 1.37 3.57 -0.49 -3.35 116.94 116.74 3ks0 h PHE 62 Ca -0.34 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.40 3ks0 h PHE 62 Cb 2.07 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 40.84 3ks0 h PHE 62 CO 0.08 -0.23 0.65 0.93 -2.23 0.00 0.00 178.31 177.51 3ks0 h GLU 63 N -0.44 0.44 -0.00 1.11 5.08 -1.66 0.44 114.58 119.54 3ks0 h GLU 63 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ks0 h GLU 63 Cb 0.31 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ks0 h GLU 63 CO 0.07 0.29 -0.04 -0.35 -1.00 0.00 0.00 179.01 177.98 3ks0 n PRO 64 N -4.65 0.78 -0.00 2.33 -0.04 -1.26 -3.83 135.00 128.33 3ks0 n PRO 64 Ca 0.25 -0.16 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 3ks0 n PRO 64 Cb 0.81 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 3ks0 n PRO 64 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ks0 n LEU 65 N -0.97 0.30 -4.24 1.53 4.77 0.14 -5.00 117.00 113.53 3ks0 n LEU 65 Ca 0.18 -0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 55.55 3ks0 n LEU 65 Cb 0.22 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.15 3ks0 n LEU 65 CO 0.21 0.08 -0.54 -1.00 -1.33 0.00 0.00 177.39 174.80 3ks0 s HIS 66 N -2.25 2.12 0.74 -1.77 3.76 -0.61 -5.12 115.29 112.17 3ks0 s HIS 66 Ca 0.01 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.29 3ks0 s HIS 66 Cb 0.07 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.42 3ks0 s HIS 66 CO 0.43 -0.12 1.09 0.00 -0.85 0.00 0.00 174.74 175.29 3ks0 s ALA 67 N -0.31 2.32 -1.05 -1.40 0.00 -1.26 -4.70 121.76 115.36 3ks0 s ALA 67 Ca 0.02 0.31 0.11 0.00 0.00 0.00 0.00 51.96 52.41 3ks0 s ALA 67 Cb -0.11 -3.28 0.47 0.00 0.00 0.00 0.00 23.12 20.20 3ks0 s ALA 67 CO 0.01 -1.63 1.33 -2.30 0.00 0.00 0.00 175.76 173.17 3ks0 n PRO 68 N -3.27 0.02 -0.22 0.00 -0.02 -1.26 -2.63 135.00 127.62 3ks0 n PRO 68 Ca 0.09 0.30 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3ks0 n PRO 68 Cb 0.53 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.73 3ks0 n PRO 68 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3ks0 n ASN 69 N -1.48 3.45 -0.01 2.55 2.04 -1.26 -4.38 115.26 116.17 3ks0 n ASN 69 Ca 0.03 -1.97 -0.18 0.00 -0.44 0.00 0.00 54.58 52.03 3ks0 n ASN 69 Cb 0.12 -0.28 -0.09 0.00 -2.53 0.00 0.00 39.78 37.00 3ks0 n ASN 69 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 3ks0 h VAL 70 N 4.10 1.32 -0.35 3.53 -1.51 -1.88 -3.34 116.25 118.11 3ks0 h VAL 70 Ca 0.00 -1.99 0.07 0.00 -1.23 0.00 0.00 66.70 63.55 3ks0 h VAL 70 Cb 0.94 2.18 -0.09 0.00 -2.13 0.00 0.00 31.29 32.20 3ks0 h VAL 70 CO 0.00 0.61 -0.40 0.40 -1.23 0.00 0.00 177.57 176.95 3ks0 h ILE 71 N 0.32 0.15 0.00 7.19 2.04 -1.81 -1.37 117.51 124.03 3ks0 h ILE 71 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3ks0 h ILE 71 Cb 1.37 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3ks0 h ILE 71 CO 0.15 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.77 3ks0 n ASP 72 N -5.42 0.61 0.10 1.72 8.00 -1.26 -0.21 116.55 120.09 3ks0 n ASP 72 Ca -0.01 0.66 -0.05 0.00 0.71 0.00 0.00 54.79 56.11 3ks0 n ASP 72 Cb 0.35 -0.79 0.04 0.00 -0.02 0.00 0.00 41.12 40.71 3ks0 n ASP 72 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3ks0 h LYS 73 N 0.00 0.05 0.00 -1.24 3.64 -1.37 -3.40 116.57 114.24 3ks0 h LYS 73 Ca 0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 3ks0 h LYS 73 Cb 0.32 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3ks0 h LYS 73 CO 0.00 0.81 -1.55 0.66 -2.27 0.00 0.00 179.45 177.10 3ks0 n TYR 74 N -3.64 0.00 -2.76 1.91 4.02 -0.98 -5.01 117.16 110.70 3ks0 n TYR 74 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 3ks0 n TYR 74 Cb 0.75 -0.36 -0.05 0.00 -0.02 0.00 0.00 39.34 39.67 3ks0 n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3ks0 s ILE 75 N -2.19 4.45 0.38 -0.72 -1.09 0.70 -5.03 121.20 117.71 3ks0 s ILE 75 Ca -0.13 2.03 -0.26 0.00 -2.23 0.00 0.00 60.65 60.06 3ks0 s ILE 75 Cb 0.04 -4.30 -0.09 0.00 -1.58 0.00 0.00 42.46 36.53 3ks0 s ILE 75 CO 0.20 0.35 1.17 0.00 -1.23 0.00 0.00 174.94 175.44 3ks0 s ALA 76 N -0.22 3.22 0.25 9.38 0.00 -1.26 -4.60 121.76 128.52 3ks0 s ALA 76 Ca 0.45 0.99 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 3ks0 s ALA 76 Cb -0.23 -3.38 0.38 0.00 0.00 0.00 0.00 23.12 19.88 3ks0 s ALA 76 CO 0.30 -0.49 1.83 -1.35 0.00 0.00 0.00 175.76 176.04 3ks0 h PRO 77 N 2.84 0.85 -1.28 0.00 0.11 -1.95 -0.56 132.00 132.02 3ks0 h PRO 77 Ca -0.49 -0.05 0.37 0.00 0.11 0.00 0.00 66.00 65.94 3ks0 h PRO 77 Cb 1.23 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3ks0 h PRO 77 CO 0.63 0.57 1.25 0.39 -0.21 0.00 0.00 178.00 180.62 3ks0 n GLU 78 N -4.68 0.01 -0.01 1.05 4.71 -1.26 -0.74 120.64 119.72 3ks0 n GLU 78 Ca 0.13 1.01 0.10 0.00 -0.01 0.00 0.00 57.16 58.39 3ks0 n GLU 78 Cb 0.24 -2.45 -0.15 0.00 -1.01 0.00 0.00 31.44 28.07 3ks0 n GLU 78 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3ks0 n LYS 79 N -3.38 0.60 -2.07 3.49 4.76 -0.22 -4.65 118.16 116.69 3ks0 n LYS 79 Ca 0.29 -0.16 -0.28 0.00 -2.87 0.00 0.00 58.31 55.30 3ks0 n LYS 79 Cb 1.63 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 33.30 3ks0 n LYS 79 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3ks0 s LYS 80 N -3.31 2.58 0.29 1.97 1.02 0.08 -2.29 119.74 120.08 3ks0 s LYS 80 Ca -0.05 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 3ks0 s LYS 80 Cb 0.13 -5.11 0.42 0.00 -0.52 0.00 0.00 37.83 32.75 3ks0 s LYS 80 CO 0.83 -3.47 1.83 -0.07 -0.92 0.00 0.00 175.35 173.55 3ks0 h LEU 81 N 17.66 0.73 0.00 3.17 4.07 -0.74 -3.49 115.31 136.71 3ks0 h LEU 81 Ca 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ks0 h LEU 81 Cb 0.99 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3ks0 h LEU 81 CO 1.22 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 179.93 3ks0 n GLY 82 N -0.85 0.27 3.78 0.83 0.00 -1.24 -4.80 105.19 103.19 3ks0 n GLY 82 Ca 0.03 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 3ks0 n GLY 82 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ks0 s PRO 83 N -1.54 4.09 0.05 1.61 0.02 -1.26 -0.77 135.00 137.22 3ks0 s PRO 83 Ca 0.00 1.50 -0.24 0.00 0.02 0.00 0.00 61.00 62.28 3ks0 s PRO 83 Cb 0.00 -2.47 -0.06 0.00 0.02 0.00 0.00 34.50 32.00 3ks0 s PRO 83 CO 0.00 -0.20 0.72 -1.17 -0.33 0.00 0.00 177.00 176.02 3ks0 s LEU 84 N -2.79 4.47 -0.33 -5.54 2.96 0.95 0.13 118.68 118.52 3ks0 s LEU 84 Ca 0.59 1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 55.62 3ks0 s LEU 84 Cb -0.21 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.34 3ks0 s LEU 84 CO 0.27 0.08 1.07 -1.58 -1.32 0.00 0.00 176.35 174.87 3ks0 s GLN 85 N -0.32 4.04 6.77 1.98 2.00 0.29 -4.76 119.66 129.67 3ks0 s GLN 85 Ca 0.36 1.03 0.00 0.00 -2.00 0.00 0.00 55.36 54.74 3ks0 s GLN 85 Cb -0.20 -3.75 0.00 0.00 0.80 0.00 0.00 33.01 29.86 3ks0 s GLN 85 CO 0.22 -0.93 0.00 0.41 -0.50 0.00 0.00 175.29 174.49 3ks0 n GLY 86 N 3.94 2.79 3.37 2.59 0.00 -1.26 -4.28 105.19 112.34 3ks0 n GLY 86 Ca 0.12 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 3ks0 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks0 s SER 87 N -4.00 2.65 0.42 1.61 1.04 -1.26 -5.06 113.70 109.10 3ks0 s SER 87 Ca 0.00 -1.06 -0.23 0.00 0.48 0.00 0.00 55.95 55.14 3ks0 s SER 87 Cb 0.00 -0.15 -0.09 0.00 0.10 0.00 0.00 66.02 65.89 3ks0 s SER 87 CO 0.00 -0.20 1.08 -0.04 0.98 0.00 0.00 173.24 175.06 3ks0 s MET 88 N -3.66 4.03 0.52 4.02 -1.94 -1.26 -4.81 119.30 116.21 3ks0 s MET 88 Ca 0.24 1.57 -0.22 0.00 -1.71 0.00 0.00 55.69 55.57 3ks0 s MET 88 Cb 0.00 -2.47 -0.06 0.00 2.01 0.00 0.00 34.83 34.30 3ks0 s MET 88 CO 0.08 -0.27 1.27 -0.35 -0.01 0.00 0.00 175.02 175.74 3ks0 n PRO 89 N -0.24 1.62 -0.24 2.03 -0.04 -1.26 -4.82 135.00 132.05 3ks0 n PRO 89 Ca 0.06 0.59 -0.06 0.00 -0.04 0.00 0.00 63.50 64.05 3ks0 n PRO 89 Cb 0.49 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.49 3ks0 n PRO 89 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3ks0 h PRO 90 N 1.45 -0.15 -1.40 0.54 0.11 -1.95 0.26 132.00 130.86 3ks0 h PRO 90 Ca -0.50 0.01 0.44 0.00 0.11 0.00 0.00 66.00 66.07 3ks0 h PRO 90 Cb 1.31 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.34 3ks0 h PRO 90 CO 0.57 -0.10 0.93 0.93 -0.21 0.00 0.00 178.00 180.12 3ks0 h GLU 91 N -0.15 0.08 -0.74 1.05 3.07 -2.05 -0.56 114.58 115.27 3ks0 h GLU 91 Ca 0.23 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.94 3ks0 h GLU 91 Cb 0.56 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.36 3ks0 h GLU 91 CO -0.75 0.05 0.19 1.28 -1.40 0.00 0.00 179.01 178.39 3ks0 n LEU 92 N -4.53 5.70 -4.20 1.33 4.77 0.91 -4.88 117.00 116.10 3ks0 n LEU 92 Ca 0.37 -2.95 -0.33 0.00 -0.03 0.00 0.00 56.01 53.07 3ks0 n LEU 92 Cb 1.49 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 41.70 3ks0 n LEU 92 CO 0.26 0.73 -0.49 0.68 -1.33 0.00 0.00 177.39 177.24 3ks0 s VAL 93 N -2.75 2.47 0.10 4.08 -7.23 -0.22 -0.70 120.40 116.16 3ks0 s VAL 93 Ca 0.51 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.55 3ks0 s VAL 93 Cb 0.40 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 35.21 3ks0 s VAL 93 CO 0.13 0.51 1.46 0.00 -0.31 0.00 0.00 175.10 176.89 3ks0 s PRO 95 N 1.55 3.49 0.61 0.00 0.04 -1.26 -4.19 135.00 135.24 3ks0 s PRO 95 Ca 0.67 -0.43 -0.19 0.00 0.04 0.00 0.00 61.00 61.08 3ks0 s PRO 95 Cb -0.38 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 3ks0 s PRO 95 CO 0.30 0.33 1.30 -2.14 0.04 0.00 0.00 177.00 176.84 3ks0 s PRO 96 N -3.76 2.77 0.00 0.56 0.02 -1.26 -4.76 135.00 128.56 3ks0 s PRO 96 Ca 0.38 2.09 0.29 0.00 0.02 0.00 0.00 61.00 63.77 3ks0 s PRO 96 Cb -0.10 -1.97 1.20 0.00 0.02 0.00 0.00 34.50 33.65 3ks0 s PRO 96 CO 0.31 -1.44 1.83 0.98 -0.33 0.00 0.00 177.00 178.35