#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ks0 s ASP 2 N 0.00 6.92 -0.19 7.83 1.01 -1.26 -4.91 116.67 126.07 2ks0 s ASP 2 Ca 0.00 2.54 0.13 0.00 0.71 0.00 0.00 52.55 55.93 2ks0 s ASP 2 Cb 0.00 -2.64 0.32 0.00 1.01 0.00 0.00 42.92 41.61 2ks0 s ASP 2 CO 0.00 -0.43 1.27 -0.46 0.21 0.00 0.00 175.17 175.75 2ks0 n ASN 3 N 1.15 -0.44 -4.79 0.27 2.04 -1.26 -5.11 115.26 107.12 2ks0 n ASN 3 Ca 0.01 -2.09 -0.39 0.00 -0.44 0.00 0.00 54.58 51.66 2ks0 n ASN 3 Cb 0.43 0.23 -0.06 0.00 -2.53 0.00 0.00 39.78 37.85 2ks0 n ASN 3 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2ks0 s ARG 4 N -0.68 4.29 0.11 -3.83 1.81 -1.26 -4.32 118.95 115.06 2ks0 s ARG 4 Ca 0.13 0.80 -0.07 0.00 -1.72 0.00 0.00 55.73 54.87 2ks0 s ARG 4 Cb 0.29 -3.27 -0.01 0.00 -0.45 0.00 0.00 34.95 31.51 2ks0 s ARG 4 CO -0.08 0.55 0.16 1.14 -0.68 0.00 0.00 175.30 176.38 2ks0 s GLN 5 N -0.83 0.89 0.08 3.54 -2.07 -1.04 -4.99 119.66 115.24 2ks0 s GLN 5 Ca 0.31 -1.11 0.10 0.00 -1.82 0.00 0.00 55.36 52.84 2ks0 s GLN 5 Cb -0.20 0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 2ks0 s GLN 5 CO 0.19 -0.28 -0.26 -0.06 -1.32 0.00 0.00 175.29 173.56 2ks0 s PHE 6 N -3.92 2.33 -0.08 9.60 0.08 -1.26 -2.70 117.98 122.03 2ks0 s PHE 6 Ca 0.10 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.76 2ks0 s PHE 6 Cb 0.05 -1.34 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2ks0 s PHE 6 CO -0.07 0.21 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.04 2ks0 s LEU 7 N -1.54 1.04 -0.11 -0.37 0.20 -0.99 -4.97 118.68 111.93 2ks0 s LEU 7 Ca 0.13 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 54.76 2ks0 s LEU 7 Cb -0.10 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 45.02 2ks0 s LEU 7 CO 0.04 -0.12 -0.13 -0.55 -0.29 0.00 0.00 176.35 175.30 2ks0 s SER 8 N 1.56 4.07 0.01 3.68 0.15 -1.26 -1.76 113.70 120.15 2ks0 s SER 8 Ca 0.00 -0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.31 2ks0 s SER 8 Cb -0.13 -1.39 -0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2ks0 s SER 8 CO -0.05 0.22 0.14 -0.22 1.20 0.00 0.00 173.24 174.53 2ks0 s LEU 9 N 0.02 1.58 0.13 3.45 2.96 -1.00 -5.03 118.68 120.78 2ks0 s LEU 9 Ca -0.04 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 2ks0 s LEU 9 Cb -0.14 0.69 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 2ks0 s LEU 9 CO 0.04 -0.42 0.22 0.28 -1.32 0.00 0.00 176.35 175.15 2ks0 s THR 10 N -1.77 0.11 0.00 3.68 -1.32 -1.26 -2.77 115.64 112.31 2ks0 s THR 10 Ca -0.12 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2ks0 s THR 10 Cb -0.06 -1.64 0.00 0.00 -1.51 0.00 0.00 72.50 69.30 2ks0 s THR 10 CO -0.00 -0.48 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 2ks0 n GLY 11 N -0.13 0.67 3.76 6.08 0.00 -1.26 -5.02 105.19 109.29 2ks0 n GLY 11 Ca -0.11 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 2.83 0.12 1.61 0.11 -1.26 -4.41 120.40 117.39 2ks0 s VAL 12 Ca 0.00 0.78 -0.09 0.00 -2.93 0.00 0.00 61.98 59.74 2ks0 s VAL 12 Cb 0.00 -3.49 -0.14 0.00 -1.53 0.00 0.00 36.38 31.21 2ks0 s VAL 12 CO 0.00 0.16 1.34 0.28 -3.33 0.00 0.00 175.10 173.55 2ks0 h SER 13 N 4.04 0.80 -5.17 3.54 0.02 0.17 -3.48 113.55 113.47 2ks0 h SER 13 Ca -0.48 -0.53 0.21 0.00 -0.84 0.00 0.00 61.79 60.15 2ks0 h SER 13 Cb 1.22 -0.24 -0.12 0.00 0.14 0.00 0.00 62.40 63.41 2ks0 h SER 13 CO 0.70 1.31 0.61 -1.59 -1.14 0.00 0.00 176.83 176.72 2ks0 s LYS 14 N -3.69 0.82 -0.67 3.45 -2.85 -0.99 -5.01 119.74 110.80 2ks0 s LYS 14 Ca -0.09 -0.41 -0.16 0.00 -1.00 0.00 0.00 55.97 54.31 2ks0 s LYS 14 Cb 0.09 0.31 0.15 0.00 -2.06 0.00 0.00 37.83 36.32 2ks0 s LYS 14 CO 0.89 -0.37 0.67 0.08 0.10 0.00 0.00 175.35 176.71 2ks0 s VAL 15 N -2.94 5.23 0.21 1.79 1.01 -1.26 -2.21 120.40 122.22 2ks0 s VAL 15 Ca 0.11 -1.72 -0.07 0.00 0.00 0.00 0.00 61.98 60.30 2ks0 s VAL 15 Cb 0.00 -4.44 0.10 0.00 0.00 0.00 0.00 36.38 32.05 2ks0 s VAL 15 CO -0.02 -1.01 1.70 -0.61 0.00 0.00 0.00 175.10 175.16 2ks0 h GLN 16 N 8.59 1.06 -1.72 2.72 4.15 -1.80 -3.46 115.11 124.64 2ks0 h GLN 16 Ca -0.14 -0.29 0.10 0.00 0.77 0.00 0.00 58.65 59.09 2ks0 h GLN 16 Cb 1.07 -0.12 -0.21 0.00 0.21 0.00 0.00 27.48 28.43 2ks0 h GLN 16 CO 0.96 0.98 0.55 0.45 -1.93 0.00 0.00 178.83 179.85 2ks0 s SER 17 N -6.53 -0.35 -0.23 -0.69 0.15 -0.42 -4.95 113.70 100.67 2ks0 s SER 17 Ca -0.11 0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 2ks0 s SER 17 Cb 0.14 0.31 0.11 0.00 -1.71 0.00 0.00 66.02 64.88 2ks0 s SER 17 CO 0.85 -0.40 0.27 0.12 1.20 0.00 0.00 173.24 175.28 2ks0 s PHE 18 N -1.64 -0.43 0.12 3.44 5.36 -1.26 -0.09 117.98 123.48 2ks0 s PHE 18 Ca 0.00 0.26 0.03 0.00 -0.96 0.00 0.00 56.93 56.26 2ks0 s PHE 18 Cb -0.01 -0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 42.33 2ks0 s PHE 18 CO -0.01 -0.70 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.45 2ks0 s ASP 19 N 2.38 1.50 0.52 6.13 1.11 0.21 -4.99 116.67 123.53 2ks0 s ASP 19 Ca 0.09 -0.95 0.25 0.00 0.18 0.00 0.00 52.55 52.11 2ks0 s ASP 19 Cb -0.15 0.03 1.40 0.00 1.07 0.00 0.00 42.92 45.27 2ks0 s ASP 19 CO -0.18 -0.35 2.08 -0.65 1.18 0.00 0.00 175.17 177.25 2ks0 h PRO 20 N 3.06 0.00 -0.19 8.23 0.11 -2.00 -2.52 132.00 138.68 2ks0 h PRO 20 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2ks0 h PRO 20 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ks0 h PRO 20 CO 0.61 0.12 0.00 1.63 -0.21 0.00 0.00 178.00 180.14 2ks0 n LYS 21 N -3.83 1.83 -3.64 1.05 5.02 -1.26 -2.71 118.16 114.62 2ks0 n LYS 21 Ca -0.02 -1.78 -0.03 0.00 -2.02 0.00 0.00 58.31 54.45 2ks0 n LYS 21 Cb 0.22 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.26 0.32 -0.07 1.97 2.12 -0.95 -3.92 118.70 116.91 2ks0 s GLU 22 Ca 0.25 0.49 0.01 0.00 0.36 0.00 0.00 54.97 56.08 2ks0 s GLU 22 Cb 0.15 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.66 2ks0 s GLU 22 CO 0.22 -0.06 -0.08 0.42 -0.54 0.00 0.00 175.26 175.22 2ks0 s ILE 23 N 0.89 0.90 -0.18 -3.70 1.01 -0.97 0.68 121.20 119.83 2ks0 s ILE 23 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2ks0 s ILE 23 Cb -0.04 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.56 2ks0 s ILE 23 CO -0.12 0.32 -0.16 -0.76 0.00 0.00 0.00 174.94 174.22 2ks0 s LEU 24 N 1.07 2.36 -0.07 2.97 1.43 0.88 -1.86 118.68 125.46 2ks0 s LEU 24 Ca -0.08 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2ks0 s LEU 24 Cb -0.14 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.55 2ks0 s LEU 24 CO -0.01 0.03 -0.04 -0.76 0.23 0.00 0.00 176.35 175.80 2ks0 s LEU 25 N 1.13 1.08 -0.19 1.79 1.43 -1.04 -1.31 118.68 121.57 2ks0 s LEU 25 Ca 0.01 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.76 2ks0 s LEU 25 Cb -0.14 -0.55 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 2ks0 s LEU 25 CO -0.06 -0.11 0.51 -0.70 0.23 0.00 0.00 176.35 176.23 2ks0 s GLU 26 N 1.40 4.20 0.15 1.70 2.12 -0.94 -2.40 118.70 124.94 2ks0 s GLU 26 Ca -0.03 0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.80 2ks0 s GLU 26 Cb -0.13 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2ks0 s GLU 26 CO -0.03 -0.12 -0.20 -0.08 -0.54 0.00 0.00 175.26 174.29 2ks0 s THR 27 N 1.54 1.84 0.00 -1.70 -1.32 -0.92 0.89 115.64 115.97 2ks0 s THR 27 Ca 0.24 -1.80 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 2ks0 s THR 27 Cb -0.15 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.06 2ks0 s THR 27 CO 0.10 -0.21 0.00 -0.38 -2.21 0.00 0.00 174.62 171.92 2ks0 n ILE 28 N 0.56 0.00 -0.04 5.08 2.08 -1.26 -1.60 119.36 124.18 2ks0 n ILE 28 Ca -0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.16 2ks0 n ILE 28 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.45 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 3.73 -2.82 0.38 10.64 -1.26 -4.99 117.38 123.06 2ks0 n GLN 29 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 2ks0 n GLN 29 Cb 0.00 -0.31 0.05 0.00 -0.86 0.00 0.00 30.24 29.12 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 0.00 1.82 -0.09 2.61 0.00 -0.63 -5.11 107.32 105.93 2ks0 s GLY 30 Ca 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 43.07 2ks0 s GLY 30 CO 0.00 -1.34 -0.23 0.14 0.00 0.00 0.00 173.10 171.68 2ks0 s VAL 31 N -2.72 1.93 -0.19 1.40 1.01 -1.26 -2.15 120.40 118.41 2ks0 s VAL 31 Ca 0.60 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2ks0 s VAL 31 Cb -0.08 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2ks0 s VAL 31 CO 0.38 0.53 0.01 -0.22 0.00 0.00 0.00 175.10 175.81 2ks0 s LEU 32 N 0.27 3.37 -0.16 3.92 2.96 -1.01 -4.12 118.68 123.91 2ks0 s LEU 32 Ca -0.15 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2ks0 s LEU 32 Cb -0.17 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.68 2ks0 s LEU 32 CO 0.07 0.09 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.60 2ks0 s SER 33 N 0.83 3.58 -0.16 3.68 0.01 -0.87 -2.48 113.70 118.28 2ks0 s SER 33 Ca 0.01 -0.51 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2ks0 s SER 33 Cb -0.14 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 2ks0 s SER 33 CO 0.02 0.06 -0.01 -0.63 0.41 0.00 0.00 173.24 173.09 2ks0 s ILE 34 N 0.95 4.11 -0.02 1.44 1.01 -0.78 -2.54 121.20 125.37 2ks0 s ILE 34 Ca -0.03 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.40 2ks0 s ILE 34 Cb -0.15 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 2ks0 s ILE 34 CO -0.03 0.49 -0.20 -0.54 0.00 0.00 0.00 174.94 174.66 2ks0 s LYS 35 N 0.35 1.70 0.00 2.79 1.02 -0.68 -2.29 119.74 122.63 2ks0 s LYS 35 Ca -0.02 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.26 2ks0 s LYS 35 Cb -0.14 -1.59 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 2ks0 s LYS 35 CO 0.02 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 2ks0 n GLY 36 N 2.72 -0.74 3.02 -3.33 0.00 -1.25 -1.89 105.19 103.72 2ks0 n GLY 36 Ca -0.16 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.84 0.39 -1.14 1.61 2.02 -1.13 -4.67 118.70 114.94 2ks0 s GLU 37 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 2ks0 s GLU 37 Cb 0.00 0.14 -0.03 0.00 0.10 0.00 0.00 34.13 34.34 2ks0 s GLU 37 CO 0.00 -0.07 0.91 1.63 0.02 0.00 0.00 175.26 177.75 2ks0 n LYS 38 N 1.30 -4.02 -2.63 1.61 4.76 -1.25 -3.10 118.16 114.82 2ks0 n LYS 38 Ca -0.22 0.79 -0.43 0.00 -2.87 0.00 0.00 58.31 55.59 2ks0 n LYS 38 Cb 0.56 -5.62 0.01 0.00 -1.84 0.00 0.00 35.03 28.14 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 -3.76 6.51 -4.92 -0.35 4.32 -1.10 -3.57 117.00 114.13 2ks0 n LEU 39 Ca -0.18 -4.87 -0.27 0.00 -0.02 0.00 0.00 56.01 50.67 2ks0 n LEU 39 Cb 0.64 -1.40 0.03 0.00 -1.62 0.00 0.00 43.42 41.07 2ks0 n LEU 39 CO 0.62 1.48 0.53 -0.83 -1.22 0.00 0.00 177.39 177.97 2ks0 s GLY 40 N -0.10 1.60 -0.09 -0.72 0.00 -0.83 -4.70 107.32 102.46 2ks0 s GLY 40 Ca 0.36 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.43 2ks0 s GLY 40 CO 0.04 -0.39 -0.15 1.08 0.00 0.00 0.00 173.10 173.68 2ks0 s LEU 46 N -4.98 1.72 0.04 0.66 2.01 -1.26 -1.66 118.68 115.20 2ks0 s LEU 46 Ca 0.53 -0.40 -0.24 0.00 0.01 0.00 0.00 54.13 54.03 2ks0 s LEU 46 Cb -0.11 -1.03 -0.18 0.00 0.01 0.00 0.00 46.19 44.89 2ks0 s LEU 46 CO 0.45 0.03 1.51 0.11 1.01 0.00 0.00 176.35 179.47 2ks0 h LYS 47 N 7.23 -0.01 0.00 1.70 1.79 -2.04 -3.41 116.57 121.83 2ks0 h LYS 47 Ca -0.30 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.05 2ks0 h LYS 47 Cb 1.18 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.72 2ks0 h LYS 47 CO 0.48 0.22 -0.25 0.00 -1.08 0.00 0.00 179.45 178.83 2ks0 n ALA 48 N -2.21 2.81 -0.55 3.86 0.00 -1.26 -4.95 120.51 118.20 2ks0 n ALA 48 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2ks0 n ALA 48 Cb 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.41 0.69 3.77 0.00 0.00 -1.26 -5.06 105.19 102.92 2ks0 n GLY 49 Ca -0.22 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.74 2.74 0.12 1.61 -0.21 -1.26 -4.72 119.66 117.20 2ks0 s GLN 50 Ca 0.00 -1.16 0.05 0.00 0.02 0.00 0.00 55.36 54.27 2ks0 s GLN 50 Cb 0.00 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.53 2ks0 s GLN 50 CO 0.00 0.39 -0.11 0.14 -2.12 0.00 0.00 175.29 173.59 2ks0 s VAL 51 N -2.18 1.13 0.01 1.09 -7.23 -1.11 -4.59 120.40 107.51 2ks0 s VAL 51 Ca 0.32 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 2ks0 s VAL 51 Cb -0.07 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 2ks0 s VAL 51 CO 0.23 -0.55 0.07 -0.70 -0.31 0.00 0.00 175.10 173.84 2ks0 s GLU 52 N -2.95 0.43 -0.04 4.82 -6.30 -1.26 -2.37 118.70 111.01 2ks0 s GLU 52 Ca 0.09 -0.51 0.04 0.00 -2.50 0.00 0.00 54.97 52.09 2ks0 s GLU 52 Cb -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 34.13 34.27 2ks0 s GLU 52 CO 0.01 -0.09 -0.16 0.08 0.02 0.00 0.00 175.26 175.12 2ks0 s VAL 53 N -1.51 1.36 -0.16 3.70 1.01 -0.72 -4.97 120.40 119.11 2ks0 s VAL 53 Ca -0.15 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2ks0 s VAL 53 Cb -0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 2ks0 s VAL 53 CO 0.00 0.40 -0.12 -0.70 0.00 0.00 0.00 175.10 174.68 2ks0 s GLU 54 N 0.10 3.32 0.00 2.72 -6.30 -0.67 -2.35 118.70 115.51 2ks0 s GLU 54 Ca -0.05 -0.70 0.00 0.00 -2.50 0.00 0.00 54.97 51.73 2ks0 s GLU 54 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 34.13 31.31 2ks0 s GLU 54 CO 0.02 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.76 2ks0 n GLY 55 N 4.00 -0.01 3.62 -1.50 0.00 -1.10 -1.97 105.19 108.22 2ks0 n GLY 55 Ca -0.19 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 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 4.06 -0.38 0.99 2.34 -1.18 -2.49 118.68 122.02 2ks0 s LEU 56 Ca 0.00 0.29 -0.21 0.00 0.06 0.00 0.00 54.13 54.27 2ks0 s LEU 56 Cb 0.00 -2.39 0.01 0.00 -0.56 0.00 0.00 46.19 43.25 2ks0 s LEU 56 CO 0.00 -0.13 0.67 -0.63 -1.06 0.00 0.00 176.35 175.20 2ks0 s ILE 57 N 1.81 4.84 -0.93 1.48 1.09 -1.26 -2.84 121.20 125.40 2ks0 s ILE 57 Ca 0.14 0.51 0.21 0.00 -1.10 0.00 0.00 60.65 60.42 2ks0 s ILE 57 Cb -0.15 -4.14 -0.24 0.00 -1.06 0.00 0.00 42.46 36.87 2ks0 s ILE 57 CO 0.09 -0.42 0.87 0.47 -0.10 0.00 0.00 174.94 175.85 2ks0 n ASP 58 N 6.19 0.92 -3.57 3.58 8.00 -0.79 -4.98 116.55 125.90 2ks0 n ASP 58 Ca -0.01 -0.92 -0.16 0.00 0.71 0.00 0.00 54.79 54.42 2ks0 n ASP 58 Cb 0.48 1.07 -0.06 0.00 -0.02 0.00 0.00 41.12 42.59 2ks0 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ks0 s ALA 59 N -3.04 -1.79 -0.02 2.24 0.00 -1.06 -5.01 121.76 113.07 2ks0 s ALA 59 Ca 0.07 1.63 0.01 0.00 0.00 0.00 0.00 51.96 53.67 2ks0 s ALA 59 Cb 0.16 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2ks0 s ALA 59 CO 0.87 -0.35 -0.05 -0.51 0.00 0.00 0.00 175.76 175.73 2ks0 s LEU 60 N -0.52 1.63 -0.08 0.00 1.43 -1.26 -1.69 118.68 118.18 2ks0 s LEU 60 Ca -0.06 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 2ks0 s LEU 60 Cb -0.02 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.86 2ks0 s LEU 60 CO 0.05 0.00 -0.09 -0.69 0.23 0.00 0.00 176.35 175.85 2ks0 s VAL 61 N 0.43 1.01 -0.04 -1.59 1.01 -1.05 -5.04 120.40 115.13 2ks0 s VAL 61 Ca -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 2ks0 s VAL 61 Cb -0.09 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.35 2ks0 s VAL 61 CO -0.00 0.34 0.07 -0.47 0.00 0.00 0.00 175.10 175.04 2ks0 s TYR 62 N 1.11 -0.02 -0.60 5.22 6.14 -1.26 -2.05 117.35 125.89 2ks0 s TYR 62 Ca -0.06 0.26 -0.10 0.00 0.64 0.00 0.00 57.07 57.80 2ks0 s TYR 62 Cb -0.14 -0.25 -0.17 0.00 0.42 0.00 0.00 41.96 41.82 2ks0 s TYR 62 CO -0.01 -0.14 1.73 -2.30 0.64 0.00 0.00 175.55 175.47 2ks0 n PRO 63 N 4.46 0.09 -0.58 4.97 -0.02 -1.26 -4.64 135.00 138.02 2ks0 n PRO 63 Ca -0.22 -0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 60.88 2ks0 n PRO 63 Cb 0.50 -1.81 0.20 0.00 -0.02 0.00 0.00 33.50 32.38 2ks0 n PRO 63 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ks0 n LEU 64 N 9.10 4.18 -0.90 2.45 -0.00 -1.26 -4.98 117.00 125.59 2ks0 n LEU 64 Ca 0.35 -2.15 0.10 0.00 -0.00 0.00 0.00 56.01 54.31 2ks0 n LEU 64 Cb 0.37 -0.63 -0.06 0.00 -0.00 0.00 0.00 43.42 43.10 2ks0 n LEU 64 CO 0.71 0.57 -0.39 -0.62 -0.00 0.00 0.00 177.39 177.66 2ks0 n GLU 65 N 0.15 -2.10 0.00 1.47 -0.58 -1.26 -5.04 120.64 113.27 2ks0 n GLU 65 Ca 0.21 1.72 0.00 0.00 -0.42 0.00 0.00 57.16 58.67 2ks0 n GLU 65 Cb 0.91 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 2ks0 n GLU 65 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2ks0 n HIS 66 N -3.35 0.00 -0.15 -0.32 8.25 -1.26 -4.90 115.22 113.49 2ks0 n HIS 66 Ca -0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 2ks0 n HIS 66 Cb 0.41 0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 2ks0 n HIS 66 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2ks0 h HIS 67 N 0.00 0.85 -4.20 4.41 -0.00 -2.04 -3.49 115.15 110.68 2ks0 h HIS 67 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.22 2ks0 h HIS 67 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.19 2ks0 h HIS 67 CO 0.00 0.84 -0.98 1.58 -0.00 0.00 0.00 177.93 179.37 2ks0 n HIS 68 N -4.38 -4.94 -3.86 5.26 -0.00 -1.26 -4.94 115.22 101.10 2ks0 n HIS 68 Ca -0.00 2.57 -0.36 0.00 0.46 0.00 0.00 57.72 60.39 2ks0 n HIS 68 Cb 0.31 -3.75 -0.06 0.00 -0.12 0.00 0.00 29.99 26.38 2ks0 n HIS 68 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ks0 s HIS 69 N -2.12 3.59 0.25 1.57 3.76 -1.26 -4.98 115.29 116.11 2ks0 s HIS 69 Ca 0.00 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 2ks0 s HIS 69 Cb 0.00 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.76 2ks0 s HIS 69 CO 0.00 0.70 0.00 0.72 -0.85 0.00 0.00 174.74 175.31 2ks0 n HIS 70 N 1.63 -2.46 1.46 1.40 8.25 -1.26 -5.25 115.22 118.99 2ks0 n HIS 70 Ca -0.17 1.24 0.14 0.00 -0.26 0.00 0.00 57.72 58.68 2ks0 n HIS 70 Cb 0.54 -2.24 0.49 0.00 1.12 0.00 0.00 29.99 29.91 2ks0 n HIS 70 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59