#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ks0 n ASP 2 N 0.00 -0.82 0.00 7.83 5.68 -1.26 -4.64 116.55 123.34 2ks0 n ASP 2 Ca 0.00 0.14 0.10 0.00 -0.50 0.00 0.00 54.79 54.53 2ks0 n ASP 2 Cb 0.00 -1.09 0.50 0.00 -1.14 0.00 0.00 41.12 39.39 2ks0 n ASP 2 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2ks0 n ASN 3 N 0.25 0.00 -4.67 -1.12 6.94 -1.26 -4.61 115.26 110.79 2ks0 n ASN 3 Ca -0.02 -0.07 -0.42 0.00 -0.02 0.00 0.00 54.58 54.05 2ks0 n ASN 3 Cb 0.17 -0.25 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 2ks0 n ASN 3 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2ks0 s ARG 4 N -2.50 4.29 0.11 -3.83 1.81 -1.26 -4.33 118.95 113.24 2ks0 s ARG 4 Ca 0.20 1.19 -0.03 0.00 -1.72 0.00 0.00 55.73 55.36 2ks0 s ARG 4 Cb 0.13 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 31.00 2ks0 s ARG 4 CO 0.29 -0.45 0.09 1.14 -0.68 0.00 0.00 175.30 175.69 2ks0 s GLN 5 N 2.55 0.89 -0.11 3.54 -2.07 -1.07 -4.97 119.66 118.42 2ks0 s GLN 5 Ca 0.41 -1.29 -0.01 0.00 -1.82 0.00 0.00 55.36 52.66 2ks0 s GLN 5 Cb -0.16 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.00 2ks0 s GLN 5 CO 0.11 -0.26 -0.08 -0.06 -1.32 0.00 0.00 175.29 173.68 2ks0 s PHE 6 N -3.98 2.91 -0.16 9.60 0.08 -1.26 -2.29 117.98 122.87 2ks0 s PHE 6 Ca 0.17 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.97 2ks0 s PHE 6 Cb 0.07 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2ks0 s PHE 6 CO -0.03 0.06 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.78 2ks0 s LEU 7 N -0.14 2.10 0.06 -0.37 0.20 -0.85 -4.99 118.68 114.69 2ks0 s LEU 7 Ca 0.01 -0.62 0.07 0.00 0.69 0.00 0.00 54.13 54.28 2ks0 s LEU 7 Cb -0.13 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 2ks0 s LEU 7 CO 0.03 0.03 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.52 2ks0 s SER 8 N 1.12 3.97 -0.03 3.68 0.01 -1.26 -2.12 113.70 119.07 2ks0 s SER 8 Ca 0.00 -0.43 -0.20 0.00 1.31 0.00 0.00 55.95 56.64 2ks0 s SER 8 Cb -0.14 -0.67 0.04 0.00 0.21 0.00 0.00 66.02 65.46 2ks0 s SER 8 CO -0.09 0.23 0.43 -0.22 0.41 0.00 0.00 173.24 174.00 2ks0 s LEU 9 N -1.69 0.37 0.14 2.44 2.96 -0.88 -5.03 118.68 116.99 2ks0 s LEU 9 Ca 0.16 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.36 2ks0 s LEU 9 Cb -0.11 1.66 -0.04 0.00 0.50 0.00 0.00 46.19 48.21 2ks0 s LEU 9 CO 0.08 -0.49 0.09 0.28 -1.32 0.00 0.00 176.35 174.98 2ks0 s THR 10 N -1.23 0.09 0.00 3.68 -1.32 -1.26 -2.56 115.64 113.03 2ks0 s THR 10 Ca -0.12 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.49 2ks0 s THR 10 Cb -0.04 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 2ks0 s THR 10 CO 0.06 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 2ks0 n GLY 11 N -0.12 0.60 3.75 6.08 0.00 -1.26 -5.02 105.19 109.22 2ks0 n GLY 11 Ca -0.05 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 2ks0 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ks0 s VAL 12 N -2.00 2.89 0.08 1.61 0.11 -1.26 -4.33 120.40 117.50 2ks0 s VAL 12 Ca 0.00 0.80 -0.14 0.00 -2.93 0.00 0.00 61.98 59.70 2ks0 s VAL 12 Cb 0.00 -3.51 -0.16 0.00 -1.53 0.00 0.00 36.38 31.18 2ks0 s VAL 12 CO 0.00 0.15 1.29 -1.28 -3.33 0.00 0.00 175.10 171.93 2ks0 h SER 13 N 4.50 0.83 -5.23 3.54 0.87 -0.43 -3.48 113.55 114.16 2ks0 h SER 13 Ca -0.47 -0.62 0.20 0.00 -1.23 0.00 0.00 61.79 59.67 2ks0 h SER 13 Cb 1.22 -0.24 -0.11 0.00 -0.44 0.00 0.00 62.40 62.83 2ks0 h SER 13 CO 0.73 1.31 0.57 -1.59 -0.53 0.00 0.00 176.83 177.32 2ks0 s LYS 14 N -3.79 0.92 -0.56 2.24 -2.85 -1.01 -5.02 119.74 109.67 2ks0 s LYS 14 Ca -0.11 -0.48 -0.17 0.00 -1.00 0.00 0.00 55.97 54.21 2ks0 s LYS 14 Cb 0.08 0.34 0.13 0.00 -2.06 0.00 0.00 37.83 36.31 2ks0 s LYS 14 CO 0.87 -0.42 0.56 0.08 0.10 0.00 0.00 175.35 176.54 2ks0 s VAL 15 N -3.04 5.14 0.17 1.79 1.01 -1.26 -2.49 120.40 121.71 2ks0 s VAL 15 Ca 0.11 -1.43 -0.10 0.00 0.00 0.00 0.00 61.98 60.56 2ks0 s VAL 15 Cb -0.00 -4.38 0.06 0.00 0.00 0.00 0.00 36.38 32.06 2ks0 s VAL 15 CO -0.01 -0.93 1.64 -0.61 0.00 0.00 0.00 175.10 175.18 2ks0 h GLN 16 N 8.92 1.02 -1.77 2.72 4.15 -1.80 -3.46 115.11 124.88 2ks0 h GLN 16 Ca -0.28 -0.31 0.10 0.00 0.77 0.00 0.00 58.65 58.92 2ks0 h GLN 16 Cb 1.09 -0.10 -0.20 0.00 0.21 0.00 0.00 27.48 28.48 2ks0 h GLN 16 CO 1.04 1.00 0.54 0.45 -1.93 0.00 0.00 178.83 179.93 2ks0 s SER 17 N -6.49 -0.36 -0.25 -0.69 0.15 -0.63 -4.96 113.70 100.48 2ks0 s SER 17 Ca -0.12 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.78 2ks0 s SER 17 Cb 0.13 0.32 0.13 0.00 -1.71 0.00 0.00 66.02 64.89 2ks0 s SER 17 CO 0.85 -0.42 0.33 0.12 1.20 0.00 0.00 173.24 175.32 2ks0 s PHE 18 N -1.76 -0.66 0.08 3.44 5.36 -1.26 -1.36 117.98 121.81 2ks0 s PHE 18 Ca 0.01 0.46 0.04 0.00 -0.96 0.00 0.00 56.93 56.48 2ks0 s PHE 18 Cb -0.01 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.47 2ks0 s PHE 18 CO -0.02 -0.76 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.36 2ks0 s ASP 19 N 2.47 1.43 0.00 6.13 1.01 0.53 -5.00 116.67 123.24 2ks0 s ASP 19 Ca 0.10 -0.71 0.05 0.00 0.71 0.00 0.00 52.55 52.70 2ks0 s ASP 19 Cb -0.15 -0.01 0.30 0.00 1.01 0.00 0.00 42.92 44.08 2ks0 s ASP 19 CO -0.20 -0.20 0.71 -0.81 0.21 0.00 0.00 175.17 174.88 2ks0 n PRO 20 N 0.91 0.39 0.00 8.23 -0.04 -1.26 -1.89 135.00 141.34 2ks0 n PRO 20 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2ks0 n PRO 20 Cb 0.56 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2ks0 n PRO 20 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2ks0 n LYS 21 N -0.70 0.28 -3.65 0.54 5.02 -1.26 -3.03 118.16 115.36 2ks0 n LYS 21 Ca 0.04 -0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.19 2ks0 n LYS 21 Cb 0.02 -0.56 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 2ks0 n LYS 21 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2ks0 s GLU 22 N -0.08 0.29 -0.06 1.97 2.12 -0.79 -4.34 118.70 117.80 2ks0 s GLU 22 Ca 0.00 0.50 0.02 0.00 0.36 0.00 0.00 54.97 55.84 2ks0 s GLU 22 Cb 0.00 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.47 2ks0 s GLU 22 CO 0.00 -0.06 -0.09 0.42 -0.54 0.00 0.00 175.26 174.99 2ks0 s ILE 23 N 1.25 0.91 -0.15 -3.70 1.01 -1.12 -0.35 121.20 119.05 2ks0 s ILE 23 Ca -0.09 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.24 2ks0 s ILE 23 Cb -0.03 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.59 2ks0 s ILE 23 CO -0.13 0.31 -0.16 -0.76 0.00 0.00 0.00 174.94 174.19 2ks0 s LEU 24 N 0.87 1.82 -0.05 2.97 1.43 -0.47 -2.22 118.68 123.03 2ks0 s LEU 24 Ca -0.11 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2ks0 s LEU 24 Cb -0.15 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.83 2ks0 s LEU 24 CO 0.01 -0.02 -0.12 -0.76 0.23 0.00 0.00 176.35 175.69 2ks0 s LEU 25 N 1.31 1.68 -0.28 1.79 1.43 -1.10 -1.60 118.68 121.91 2ks0 s LEU 25 Ca 0.02 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 2ks0 s LEU 25 Cb -0.13 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 2ks0 s LEU 25 CO -0.09 0.05 0.35 -0.70 0.23 0.00 0.00 176.35 176.18 2ks0 s GLU 26 N 0.52 3.95 0.09 1.70 2.12 -1.04 -2.15 118.70 123.89 2ks0 s GLU 26 Ca -0.11 -0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.24 2ks0 s GLU 26 Cb -0.14 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 2ks0 s GLU 26 CO 0.03 -0.30 -0.22 -0.08 -0.54 0.00 0.00 175.26 174.15 2ks0 s THR 27 N 2.03 1.78 0.00 -1.70 -1.32 -0.88 0.37 115.64 115.92 2ks0 s THR 27 Ca 0.14 -1.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 2ks0 s THR 27 Cb -0.16 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.24 2ks0 s THR 27 CO 0.10 0.03 0.00 -0.38 -2.21 0.00 0.00 174.62 172.17 2ks0 n ILE 28 N 1.27 0.00 0.00 5.08 2.08 -1.26 -1.84 119.36 124.68 2ks0 n ILE 28 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2ks0 n ILE 28 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 2ks0 n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ks0 n GLN 29 N 0.00 1.54 -2.87 0.38 10.64 -1.26 -5.01 117.38 120.80 2ks0 n GLN 29 Ca 0.00 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.96 2ks0 n GLN 29 Cb 0.00 -0.14 0.07 0.00 -0.86 0.00 0.00 30.24 29.31 2ks0 n GLN 29 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2ks0 s GLY 30 N -0.06 1.76 -0.07 2.61 0.00 -0.77 -5.11 107.32 105.68 2ks0 s GLY 30 Ca 0.00 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 42.83 2ks0 s GLY 30 CO 0.00 -1.47 -0.21 0.14 0.00 0.00 0.00 173.10 171.56 2ks0 s VAL 31 N -2.80 1.74 -0.20 1.40 1.01 -1.26 -2.07 120.40 118.22 2ks0 s VAL 31 Ca 0.63 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 2ks0 s VAL 31 Cb -0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2ks0 s VAL 31 CO 0.40 0.49 0.05 -0.22 0.00 0.00 0.00 175.10 175.83 2ks0 s LEU 32 N 0.18 3.62 -0.18 3.92 2.96 -0.92 -4.21 118.68 124.04 2ks0 s LEU 32 Ca -0.10 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2ks0 s LEU 32 Cb -0.15 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2ks0 s LEU 32 CO 0.05 0.10 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.54 2ks0 s SER 33 N 0.80 4.07 -0.13 3.68 0.15 -0.90 -2.73 113.70 118.64 2ks0 s SER 33 Ca 0.03 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 2ks0 s SER 33 Cb -0.14 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 2ks0 s SER 33 CO 0.02 0.05 -0.11 -0.63 1.20 0.00 0.00 173.24 173.77 2ks0 s ILE 34 N 1.07 3.24 -0.02 6.45 1.01 -0.94 -2.67 121.20 129.33 2ks0 s ILE 34 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.11 2ks0 s ILE 34 Cb -0.15 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2ks0 s ILE 34 CO -0.02 0.52 -0.18 -0.54 0.00 0.00 0.00 174.94 174.72 2ks0 s LYS 35 N 0.32 1.57 0.00 2.79 1.02 -1.02 -2.80 119.74 121.62 2ks0 s LYS 35 Ca -0.09 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.24 2ks0 s LYS 35 Cb -0.15 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 2ks0 s LYS 35 CO 0.05 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 2ks0 n GLY 36 N 2.73 -0.67 3.19 -3.33 0.00 -1.26 -1.76 105.19 104.10 2ks0 n GLY 36 Ca -0.16 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 2ks0 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ks0 s GLU 37 N -0.57 0.89 -1.13 1.61 0.41 -1.24 -4.81 118.70 113.86 2ks0 s GLU 37 Ca 0.00 -1.12 -0.06 0.00 -0.41 0.00 0.00 54.97 53.38 2ks0 s GLU 37 Cb 0.00 -0.73 -0.04 0.00 -1.78 0.00 0.00 34.13 31.58 2ks0 s GLU 37 CO 0.00 0.14 0.89 1.63 -0.49 0.00 0.00 175.26 177.43 2ks0 n LYS 38 N 0.76 -3.40 -2.65 1.61 4.76 -1.26 -3.36 118.16 114.62 2ks0 n LYS 38 Ca -0.17 0.78 -0.43 0.00 -2.87 0.00 0.00 58.31 55.61 2ks0 n LYS 38 Cb 0.56 -5.52 0.01 0.00 -1.84 0.00 0.00 35.03 28.24 2ks0 n LYS 38 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2ks0 n LEU 39 N -3.69 6.35 -4.91 -0.35 4.32 -1.17 -3.64 117.00 113.91 2ks0 n LEU 39 Ca -0.15 -4.80 -0.30 0.00 -0.02 0.00 0.00 56.01 50.74 2ks0 n LEU 39 Cb 0.63 -1.44 -0.04 0.00 -1.62 0.00 0.00 43.42 40.96 2ks0 n LEU 39 CO 0.62 1.39 0.01 -0.83 -1.22 0.00 0.00 177.39 177.35 2ks0 s GLY 40 N 0.39 2.04 0.00 -0.72 0.00 -0.91 -4.47 107.32 103.66 2ks0 s GLY 40 Ca 0.37 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2ks0 s GLY 40 CO 0.03 -0.65 0.00 1.04 0.00 0.00 0.00 173.10 173.52 2ks0 n LEU 46 N -0.22 0.00 0.00 0.66 7.99 -1.26 -1.35 117.00 122.81 2ks0 n LEU 46 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2ks0 n LEU 46 Cb 0.52 0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 2ks0 n LEU 46 CO 0.49 -0.32 0.00 1.17 -1.51 0.00 0.00 177.39 177.22 2ks0 n LYS 47 N -2.13 0.00 0.00 3.23 4.81 -1.26 0.28 118.16 123.09 2ks0 n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2ks0 n LYS 47 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2ks0 n LYS 47 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ks0 n ALA 48 N 3.15 2.36 -3.20 3.14 0.00 -1.26 -4.82 120.51 119.88 2ks0 n ALA 48 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2ks0 n ALA 48 Cb 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.53 2ks0 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ks0 n GLY 49 N 0.18 -0.35 3.91 0.00 0.00 0.80 -4.88 105.19 104.84 2ks0 n GLY 49 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2ks0 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ks0 s GLN 50 N -5.03 3.34 -0.04 1.61 -0.21 -1.06 -4.46 119.66 113.81 2ks0 s GLN 50 Ca 0.06 -0.57 0.04 0.00 0.02 0.00 0.00 55.36 54.91 2ks0 s GLN 50 Cb -0.01 -2.94 -0.00 0.00 1.00 0.00 0.00 33.01 31.05 2ks0 s GLN 50 CO 0.63 0.56 -0.15 0.08 -2.12 0.00 0.00 175.29 174.29 2ks0 s VAL 51 N -1.61 1.26 0.03 1.09 1.01 -1.06 -4.76 120.40 116.35 2ks0 s VAL 51 Ca 0.34 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2ks0 s VAL 51 Cb -0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2ks0 s VAL 51 CO 0.27 0.37 -0.14 -1.61 0.00 0.00 0.00 175.10 173.99 2ks0 s GLU 52 N 0.03 0.98 0.10 2.72 2.02 -1.26 -2.08 118.70 121.21 2ks0 s GLU 52 Ca -0.02 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.28 2ks0 s GLU 52 Cb -0.10 -0.99 -0.04 0.00 0.10 0.00 0.00 34.13 33.10 2ks0 s GLU 52 CO 0.01 0.25 -0.06 0.08 0.02 0.00 0.00 175.26 175.56 2ks0 s VAL 53 N -0.72 0.68 0.01 2.63 1.01 -0.90 -5.02 120.40 118.08 2ks0 s VAL 53 Ca 0.03 -1.93 0.01 0.00 0.00 0.00 0.00 61.98 60.08 2ks0 s VAL 53 Cb -0.07 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2ks0 s VAL 53 CO 0.01 -0.88 -0.04 -1.83 0.00 0.00 0.00 175.10 172.37 2ks0 s GLU 54 N -3.84 0.28 0.00 2.72 -1.05 -0.46 -2.01 118.70 114.34 2ks0 s GLU 54 Ca 0.12 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 2ks0 s GLU 54 Cb 0.05 -0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.55 2ks0 s GLU 54 CO -0.05 0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.62 2ks0 n GLY 55 N 2.66 0.21 3.86 -3.83 0.00 -0.97 -2.14 105.19 104.98 2ks0 n GLY 55 Ca -0.15 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 2ks0 n GLY 55 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ks0 s LEU 56 N 0.00 4.41 -0.23 0.99 2.34 -1.21 -2.60 118.68 122.37 2ks0 s LEU 56 Ca 0.00 0.80 -0.21 0.00 0.06 0.00 0.00 54.13 54.79 2ks0 s LEU 56 Cb 0.00 -2.70 -0.02 0.00 -0.56 0.00 0.00 46.19 42.91 2ks0 s LEU 56 CO 0.00 0.27 0.63 -0.63 -1.06 0.00 0.00 176.35 175.56 2ks0 s ILE 57 N -1.22 5.00 -0.13 1.48 -1.09 -1.26 -3.72 121.20 120.25 2ks0 s ILE 57 Ca 0.27 1.16 0.12 0.00 -2.23 0.00 0.00 60.65 59.97 2ks0 s ILE 57 Cb -0.15 -3.94 -0.17 0.00 -1.58 0.00 0.00 42.46 36.62 2ks0 s ILE 57 CO 0.14 0.06 0.06 -0.67 -1.23 0.00 0.00 174.94 173.30 2ks0 n ASP 58 N 5.45 1.65 -3.56 3.58 2.03 -0.72 -5.00 116.55 119.97 2ks0 n ASP 58 Ca -0.01 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.16 2ks0 n ASP 58 Cb 0.49 0.87 -0.06 0.00 -0.72 0.00 0.00 41.12 41.70 2ks0 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ks0 s ALA 59 N -2.36 -1.84 -0.05 -1.67 0.00 -1.08 -5.01 121.76 109.75 2ks0 s ALA 59 Ca -0.07 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.45 2ks0 s ALA 59 Cb 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2ks0 s ALA 59 CO 0.56 -0.34 -0.10 -0.51 0.00 0.00 0.00 175.76 175.37 2ks0 s LEU 60 N -0.85 1.62 -0.04 0.00 2.01 -1.26 -2.43 118.68 117.73 2ks0 s LEU 60 Ca -0.06 -0.25 0.02 0.00 0.01 0.00 0.00 54.13 53.86 2ks0 s LEU 60 Cb -0.01 -0.71 0.01 0.00 0.01 0.00 0.00 46.19 45.49 2ks0 s LEU 60 CO 0.05 0.03 -0.09 -0.69 1.01 0.00 0.00 176.35 176.66 2ks0 s VAL 61 N 0.60 0.80 -0.06 -1.59 1.01 -1.09 -5.05 120.40 115.02 2ks0 s VAL 61 Ca -0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2ks0 s VAL 61 Cb -0.14 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2ks0 s VAL 61 CO 0.02 0.26 0.16 -0.47 0.00 0.00 0.00 175.10 175.08 2ks0 s TYR 62 N 0.48 -0.18 -0.94 5.22 6.14 -1.26 -2.11 117.35 124.69 2ks0 s TYR 62 Ca -0.08 0.44 -0.27 0.00 0.64 0.00 0.00 57.07 57.80 2ks0 s TYR 62 Cb -0.12 0.05 -0.25 0.00 0.42 0.00 0.00 41.96 42.07 2ks0 s TYR 62 CO 0.01 -0.09 2.03 -0.35 0.64 0.00 0.00 175.55 177.79 2ks0 n PRO 63 N 3.08 0.23 -0.01 4.97 -0.04 -1.26 -4.57 135.00 137.39 2ks0 n PRO 63 Ca -0.13 -1.68 0.14 0.00 -0.04 0.00 0.00 63.50 61.78 2ks0 n PRO 63 Cb 0.58 -3.73 0.63 0.00 -0.04 0.00 0.00 33.50 30.95 2ks0 n PRO 63 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ks0 n LEU 64 N 17.94 1.00 -4.98 1.53 -0.00 -1.26 -4.88 117.00 126.36 2ks0 n LEU 64 Ca 0.42 -0.35 -0.26 0.00 -0.00 0.00 0.00 56.01 55.82 2ks0 n LEU 64 Cb 0.46 -0.01 0.15 0.00 -0.00 0.00 0.00 43.42 44.02 2ks0 n LEU 64 CO 0.69 0.18 0.68 -1.83 -0.00 0.00 0.00 177.39 177.10 2ks0 s GLU 65 N -1.97 1.15 0.00 1.47 -1.05 -1.26 -5.12 118.70 111.91 2ks0 s GLU 65 Ca 0.39 -1.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 2ks0 s GLU 65 Cb 0.20 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 2ks0 s GLU 65 CO 0.33 -1.90 0.00 0.72 0.95 0.00 0.00 175.26 175.36 2ks0 n HIS 66 N -3.20 0.00 -3.22 4.83 8.25 -1.26 -5.06 115.22 115.55 2ks0 n HIS 66 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 2ks0 n HIS 66 Cb 0.60 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.64 2ks0 n HIS 66 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ks0 s HIS 67 N 4.25 3.12 0.00 4.41 -3.43 -1.26 -4.58 115.29 117.80 2ks0 s HIS 67 Ca 0.00 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2ks0 s HIS 67 Cb 0.00 -3.11 0.00 0.00 -1.43 0.00 0.00 32.58 28.04 2ks0 s HIS 67 CO 0.00 -0.78 0.00 1.58 -2.00 0.00 0.00 174.74 173.54 2ks0 n HIS 68 N 5.91 -0.61 0.00 0.38 -0.00 -1.26 -4.96 115.22 114.68 2ks0 n HIS 68 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 2ks0 n HIS 68 Cb 0.48 0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 2ks0 n HIS 68 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2ks0 n HIS 69 N -1.63 0.00 -0.27 1.57 -0.00 -1.26 -4.73 115.22 108.89 2ks0 n HIS 69 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 2ks0 n HIS 69 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 2ks0 n HIS 69 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2ks0 h HIS 70 N 0.00 0.95 0.00 -1.40 2.76 -1.94 -3.54 115.15 111.97 2ks0 h HIS 70 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2ks0 h HIS 70 Cb 0.85 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2ks0 h HIS 70 CO 0.00 0.59 0.00 1.58 -1.30 0.00 0.00 177.93 178.80