#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 -8.26 -0.00 7.83 -0.08 -1.26 -4.93 116.55 109.85 2ks0 n ASP 2 Ca 0.00 1.40 0.10 0.00 -1.51 0.00 0.00 54.79 54.78 2ks0 n ASP 2 Cb 0.00 -4.56 -0.13 0.00 2.34 0.00 0.00 41.12 38.76 2ks0 n ASP 2 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2ks0 n ASN 3 N 1.60 0.65 -4.76 1.67 6.94 -1.26 -4.95 115.26 115.16 2ks0 n ASN 3 Ca 0.00 -0.57 -0.41 0.00 -0.02 0.00 0.00 54.58 53.58 2ks0 n ASN 3 Cb 0.00 1.40 -0.03 0.00 -2.36 0.00 0.00 39.78 38.79 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 -3.14 4.43 0.05 -3.83 1.81 -1.26 -4.50 118.95 112.51 2ks0 s ARG 4 Ca 0.01 2.07 -0.14 0.00 -1.72 0.00 0.00 55.73 55.96 2ks0 s ARG 4 Cb 0.14 -3.13 0.02 0.00 -0.45 0.00 0.00 34.95 31.53 2ks0 s ARG 4 CO 0.85 -0.12 0.32 1.14 -0.68 0.00 0.00 175.30 176.81 2ks0 s GLN 5 N -1.21 0.85 -0.11 3.54 -2.07 -1.08 -5.00 119.66 114.58 2ks0 s GLN 5 Ca 0.50 -0.54 0.01 0.00 -1.82 0.00 0.00 55.36 53.51 2ks0 s GLN 5 Cb -0.37 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 31.90 2ks0 s GLN 5 CO 0.46 -0.28 -0.14 -0.06 -1.32 0.00 0.00 175.29 173.95 2ks0 s PHE 6 N -2.76 2.78 -0.15 9.60 0.08 -1.26 -2.81 117.98 123.46 2ks0 s PHE 6 Ca -0.03 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.47 2ks0 s PHE 6 Cb -0.00 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2ks0 s PHE 6 CO -0.05 -0.14 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.55 2ks0 s LEU 7 N 0.14 2.09 -0.13 -0.37 0.20 -0.70 -4.96 118.68 114.95 2ks0 s LEU 7 Ca -0.07 -0.61 -0.02 0.00 0.69 0.00 0.00 54.13 54.12 2ks0 s LEU 7 Cb -0.15 -1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 2ks0 s LEU 7 CO 0.05 0.06 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.56 2ks0 s SER 8 N 0.95 4.68 -0.03 3.68 0.15 -1.26 -1.42 113.70 120.44 2ks0 s SER 8 Ca -0.04 -0.13 -0.10 0.00 0.70 0.00 0.00 55.95 56.38 2ks0 s SER 8 Cb -0.15 -1.63 0.01 0.00 -1.71 0.00 0.00 66.02 62.55 2ks0 s SER 8 CO -0.05 0.21 0.22 -0.22 1.20 0.00 0.00 173.24 174.61 2ks0 s LEU 9 N 0.09 1.19 0.34 3.45 2.96 -0.19 -5.01 118.68 121.50 2ks0 s LEU 9 Ca -0.01 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 2ks0 s LEU 9 Cb -0.14 0.92 0.00 0.00 0.50 0.00 0.00 46.19 47.48 2ks0 s LEU 9 CO 0.03 -0.32 0.48 0.28 -1.32 0.00 0.00 176.35 175.50 2ks0 s THR 10 N -0.96 0.00 -0.40 3.68 -1.32 -1.26 -2.43 115.64 112.94 2ks0 s THR 10 Ca -0.10 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 2ks0 s THR 10 Cb -0.05 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2ks0 s THR 10 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2ks0 n GLY 11 N -0.55 0.63 3.76 6.08 0.00 -1.26 -4.98 105.19 108.88 2ks0 n GLY 11 Ca 0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.15 2.27 0.07 1.61 0.11 -1.26 -4.75 120.40 116.30 2ks0 s VAL 12 Ca 0.00 0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 2ks0 s VAL 12 Cb 0.00 -3.12 -0.15 0.00 -1.53 0.00 0.00 36.38 31.58 2ks0 s VAL 12 CO 0.00 0.02 1.30 -1.28 -3.33 0.00 0.00 175.10 171.80 2ks0 h SER 13 N 2.06 0.71 -4.78 3.54 0.87 -0.91 -3.48 113.55 111.56 2ks0 h SER 13 Ca -0.50 -0.59 0.08 0.00 -1.23 0.00 0.00 61.79 59.54 2ks0 h SER 13 Cb 1.27 -0.21 -0.14 0.00 -0.44 0.00 0.00 62.40 62.89 2ks0 h SER 13 CO 0.60 1.18 0.41 -1.59 -0.53 0.00 0.00 176.83 176.90 2ks0 s LYS 14 N -3.88 0.98 -0.45 2.24 -2.85 -1.14 -5.00 119.74 109.64 2ks0 s LYS 14 Ca -0.12 -0.37 -0.19 0.00 -1.00 0.00 0.00 55.97 54.29 2ks0 s LYS 14 Cb 0.07 0.44 0.03 0.00 -2.06 0.00 0.00 37.83 36.31 2ks0 s LYS 14 CO 0.84 -0.43 0.54 0.08 0.10 0.00 0.00 175.35 176.48 2ks0 s VAL 15 N -3.31 4.97 -0.12 1.79 1.01 -1.26 -1.99 120.40 121.48 2ks0 s VAL 15 Ca 0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2ks0 s VAL 15 Cb -0.01 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2ks0 s VAL 15 CO -0.09 -0.56 0.22 -0.61 0.00 0.00 0.00 175.10 174.06 2ks0 h GLN 16 N 8.83 0.00 -1.86 2.72 5.75 -1.90 -3.48 115.11 125.17 2ks0 h GLN 16 Ca -0.26 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.29 2ks0 h GLN 16 Cb 1.10 0.00 -0.22 0.00 1.07 0.00 0.00 27.48 29.43 2ks0 h GLN 16 CO 0.86 0.37 0.06 0.45 -2.65 0.00 0.00 178.83 177.92 2ks0 s SER 17 N -5.87 -0.90 -0.26 -0.69 0.15 -0.87 -5.03 113.70 100.24 2ks0 s SER 17 Ca -0.09 1.37 -0.05 0.00 0.70 0.00 0.00 55.95 57.87 2ks0 s SER 17 Cb -0.00 1.58 -0.00 0.00 -1.71 0.00 0.00 66.02 65.89 2ks0 s SER 17 CO 0.27 -0.21 0.03 0.12 1.20 0.00 0.00 173.24 174.65 2ks0 s PHE 18 N 1.92 3.07 0.06 3.44 2.19 -1.26 -1.28 117.98 126.12 2ks0 s PHE 18 Ca -0.08 -0.91 0.05 0.00 0.33 0.00 0.00 56.93 56.31 2ks0 s PHE 18 Cb -0.06 -2.19 -0.03 0.00 -1.31 0.00 0.00 43.02 39.43 2ks0 s PHE 18 CO -0.19 -0.54 -0.13 -0.51 1.83 0.00 0.00 175.22 175.68 2ks0 s ASP 19 N 1.50 1.58 0.10 6.13 1.11 -0.23 -5.01 116.67 121.84 2ks0 s ASP 19 Ca 0.04 -0.55 0.18 0.00 0.18 0.00 0.00 52.55 52.40 2ks0 s ASP 19 Cb -0.16 -0.06 0.75 0.00 1.07 0.00 0.00 42.92 44.52 2ks0 s ASP 19 CO 0.00 -0.05 1.55 -0.81 1.18 0.00 0.00 175.17 177.04 2ks0 n PRO 20 N 1.53 0.07 -0.00 8.23 -0.04 -1.26 -2.22 135.00 141.32 2ks0 n PRO 20 Ca -0.20 0.32 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 2ks0 n PRO 20 Cb 0.54 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2ks0 n PRO 20 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2ks0 n LYS 21 N -1.79 1.31 -3.60 0.54 2.85 -1.26 -0.80 118.16 115.41 2ks0 n LYS 21 Ca 0.03 -0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.12 2ks0 n LYS 21 Cb 0.19 -1.29 -0.06 0.00 -0.65 0.00 0.00 35.03 33.22 2ks0 n LYS 21 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2ks0 s GLU 22 N -2.73 0.59 -0.13 -1.58 2.12 -0.94 -4.29 118.70 111.75 2ks0 s GLU 22 Ca 0.01 0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.70 2ks0 s GLU 22 Cb 0.11 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.79 2ks0 s GLU 22 CO 0.63 -0.14 -0.20 0.42 -0.54 0.00 0.00 175.26 175.43 2ks0 s ILE 23 N -0.56 1.87 -0.23 -3.70 -1.09 -1.07 -1.07 121.20 115.35 2ks0 s ILE 23 Ca -0.00 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.55 2ks0 s ILE 23 Cb -0.02 -1.67 0.03 0.00 -1.58 0.00 0.00 42.46 39.22 2ks0 s ILE 23 CO -0.01 0.51 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.33 2ks0 s LEU 24 N 0.86 2.86 -0.03 2.97 1.43 -0.40 -2.00 118.68 124.36 2ks0 s LEU 24 Ca -0.07 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.11 2ks0 s LEU 24 Cb -0.15 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.52 2ks0 s LEU 24 CO -0.02 -0.10 -0.07 -0.76 0.23 0.00 0.00 176.35 175.64 2ks0 s LEU 25 N 1.25 1.62 -0.26 1.79 1.43 -1.13 -2.05 118.68 121.33 2ks0 s LEU 25 Ca -0.01 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 2ks0 s LEU 25 Cb -0.16 -0.49 -0.00 0.00 0.03 0.00 0.00 46.19 45.57 2ks0 s LEU 25 CO -0.08 0.02 1.29 -0.70 0.23 0.00 0.00 176.35 177.11 2ks0 s GLU 26 N 0.47 4.00 0.06 1.70 2.12 -0.84 -1.94 118.70 124.26 2ks0 s GLU 26 Ca -0.07 1.35 0.07 0.00 0.36 0.00 0.00 54.97 56.68 2ks0 s GLU 26 Cb -0.11 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 2ks0 s GLU 26 CO 0.01 -1.01 -0.14 -0.08 -0.54 0.00 0.00 175.26 173.49 2ks0 s THR 27 N 4.15 3.08 0.00 -1.70 -1.32 0.28 -0.17 115.64 119.96 2ks0 s THR 27 Ca 0.56 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2ks0 s THR 27 Cb -0.18 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 2ks0 s THR 27 CO 0.21 0.25 0.00 -0.38 -2.21 0.00 0.00 174.62 172.49 2ks0 n ILE 28 N 1.22 0.00 0.00 5.08 2.08 -1.26 -0.49 119.36 125.99 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 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 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 -0.12 0.00 0.00 0.38 1.13 -1.26 -5.00 117.38 112.51 2ks0 n GLN 29 Ca 0.00 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 2ks0 n GLN 29 Cb 0.00 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 28.90 2ks0 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ks0 n GLY 30 N -0.95 4.24 3.32 1.08 0.00 0.36 -5.15 105.19 108.09 2ks0 n GLY 30 Ca 0.00 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2ks0 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ks0 s VAL 31 N 2.96 2.61 -0.20 1.61 1.01 -1.26 0.10 120.40 127.23 2ks0 s VAL 31 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2ks0 s VAL 31 Cb 0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2ks0 s VAL 31 CO 0.00 0.55 0.12 -0.22 0.00 0.00 0.00 175.10 175.55 2ks0 s LEU 32 N 0.16 4.13 -0.22 3.92 2.96 -0.82 -4.46 118.68 124.35 2ks0 s LEU 32 Ca -0.10 0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 2ks0 s LEU 32 Cb -0.16 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 2ks0 s LEU 32 CO 0.06 0.18 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.81 2ks0 s SER 33 N 0.38 4.55 -0.22 3.68 0.01 -0.99 -2.83 113.70 118.28 2ks0 s SER 33 Ca 0.07 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 2ks0 s SER 33 Cb -0.11 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 2ks0 s SER 33 CO -0.01 -0.01 0.06 -0.63 0.41 0.00 0.00 173.24 173.06 2ks0 s ILE 34 N 1.44 4.48 -0.01 1.44 1.01 -0.85 -2.42 121.20 126.29 2ks0 s ILE 34 Ca 0.05 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.65 2ks0 s ILE 34 Cb -0.14 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2ks0 s ILE 34 CO -0.01 0.39 -0.23 -0.54 0.00 0.00 0.00 174.94 174.55 2ks0 s LYS 35 N 1.12 2.13 0.00 2.79 1.02 -0.41 -2.60 119.74 123.80 2ks0 s LYS 35 Ca 0.04 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2ks0 s LYS 35 Cb -0.14 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 2ks0 s LYS 35 CO 0.03 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.43 2ks0 n GLY 36 N 2.20 0.87 2.98 -3.33 0.00 -1.26 -1.21 105.19 105.44 2ks0 n GLY 36 Ca -0.16 0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2ks0 n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ks0 s GLU 37 N 4.86 1.15 -0.17 1.61 -6.30 -0.84 -4.77 118.70 114.23 2ks0 s GLU 37 Ca 0.00 -0.28 -0.15 0.00 -2.50 0.00 0.00 54.97 52.04 2ks0 s GLU 37 Cb 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 34.13 33.12 2ks0 s GLU 37 CO 0.00 0.03 0.26 1.63 0.02 0.00 0.00 175.26 177.20 2ks0 n LYS 38 N 3.66 -0.89 -2.89 4.30 4.76 -1.19 -3.76 118.16 122.15 2ks0 n LYS 38 Ca -0.22 1.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.79 2ks0 n LYS 38 Cb 0.52 -1.35 0.01 0.00 -1.84 0.00 0.00 35.03 32.37 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 0.71 6.29 -4.92 -0.35 4.32 0.02 -4.30 117.00 118.77 2ks0 n LEU 39 Ca -0.03 -5.01 -0.31 0.00 -0.02 0.00 0.00 56.01 50.64 2ks0 n LEU 39 Cb 0.57 -1.37 -0.04 0.00 -1.62 0.00 0.00 43.42 40.95 2ks0 n LEU 39 CO 0.21 1.51 -0.14 -0.83 -1.22 0.00 0.00 177.39 176.93 2ks0 s GLY 40 N -0.43 2.17 -0.08 -0.72 0.00 -0.93 -4.69 107.32 102.65 2ks0 s GLY 40 Ca 0.34 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 44.24 2ks0 s GLY 40 CO 0.05 -0.81 -0.12 1.08 0.00 0.00 0.00 173.10 173.30 2ks0 s LEU 46 N -2.56 1.59 0.05 0.66 1.02 -1.26 -1.31 118.68 116.87 2ks0 s LEU 46 Ca 0.35 -0.31 -0.25 0.00 0.02 0.00 0.00 54.13 53.94 2ks0 s LEU 46 Cb -0.13 -0.85 -0.17 0.00 0.02 0.00 0.00 46.19 45.06 2ks0 s LEU 46 CO 0.28 0.01 1.55 0.50 0.02 0.00 0.00 176.35 178.71 2ks0 h LYS 47 N 7.17 -0.12 -0.38 1.70 3.64 -2.04 -3.40 116.57 123.14 2ks0 h LYS 47 Ca -0.31 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.81 2ks0 h LYS 47 Cb 1.18 0.03 -0.25 0.00 -0.41 0.00 0.00 32.23 32.78 2ks0 h LYS 47 CO 0.47 0.07 -0.68 0.00 -2.27 0.00 0.00 179.45 177.03 2ks0 n ALA 48 N -2.24 2.15 -1.24 5.00 0.00 -1.26 -4.94 120.51 117.98 2ks0 n ALA 48 Ca -0.08 -2.00 -0.07 0.00 0.00 0.00 0.00 53.44 51.29 2ks0 n ALA 48 Cb 0.14 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.44 0.92 3.86 0.00 0.00 -1.26 -5.02 105.19 103.25 2ks0 n GLY 49 Ca 0.01 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.68 3.07 -0.07 1.61 -1.52 -1.26 -4.83 119.66 113.98 2ks0 s GLN 50 Ca 0.00 -0.96 0.05 0.00 -1.95 0.00 0.00 55.36 52.49 2ks0 s GLN 50 Cb 0.00 -2.66 -0.00 0.00 -0.22 0.00 0.00 33.01 30.13 2ks0 s GLN 50 CO 0.00 0.41 -0.22 0.08 -0.25 0.00 0.00 175.29 175.32 2ks0 s VAL 51 N -2.07 1.82 0.04 1.09 1.01 -1.02 -4.63 120.40 116.65 2ks0 s VAL 51 Ca 0.33 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2ks0 s VAL 51 Cb -0.08 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2ks0 s VAL 51 CO 0.26 0.51 -0.12 -1.61 0.00 0.00 0.00 175.10 174.14 2ks0 s GLU 52 N 0.13 0.80 -0.04 2.72 8.01 -1.26 -1.02 118.70 128.03 2ks0 s GLU 52 Ca -0.10 -0.74 0.03 0.00 0.01 0.00 0.00 54.97 54.17 2ks0 s GLU 52 Cb -0.15 -0.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.91 2ks0 s GLU 52 CO 0.05 0.18 -0.13 0.08 0.01 0.00 0.00 175.26 175.45 2ks0 s VAL 53 N -0.95 1.11 -0.08 2.63 1.01 -0.51 -4.97 120.40 118.65 2ks0 s VAL 53 Ca -0.01 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2ks0 s VAL 53 Cb -0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2ks0 s VAL 53 CO 0.01 0.33 -0.20 -0.70 0.00 0.00 0.00 175.10 174.55 2ks0 s GLU 54 N 0.23 2.77 0.00 2.72 2.12 -0.43 -1.72 118.70 124.39 2ks0 s GLU 54 Ca -0.06 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.47 2ks0 s GLU 54 Cb -0.11 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.95 2ks0 s GLU 54 CO 0.02 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 2ks0 n GLY 55 N 2.98 -1.81 3.52 -1.50 0.00 -1.12 -2.19 105.19 105.06 2ks0 n GLY 55 Ca -0.18 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 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 3.68 -0.31 0.99 2.34 -1.25 -2.64 118.68 121.49 2ks0 s LEU 56 Ca 0.00 -0.11 -0.26 0.00 0.06 0.00 0.00 54.13 53.82 2ks0 s LEU 56 Cb 0.00 -2.00 0.01 0.00 -0.56 0.00 0.00 46.19 43.64 2ks0 s LEU 56 CO 0.00 -0.02 0.91 -0.63 -1.06 0.00 0.00 176.35 175.55 2ks0 s ILE 57 N 1.55 4.67 -0.51 1.48 1.01 -1.26 -1.98 121.20 126.16 2ks0 s ILE 57 Ca 0.06 1.43 0.22 0.00 0.00 0.00 0.00 60.65 62.36 2ks0 s ILE 57 Cb -0.15 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.85 2ks0 s ILE 57 CO 0.06 -0.34 0.84 0.47 0.00 0.00 0.00 174.94 175.96 2ks0 n ASP 58 N 6.48 0.53 -3.54 3.58 8.00 -0.35 -4.92 116.55 126.33 2ks0 n ASP 58 Ca 0.07 -0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.16 2ks0 n ASP 58 Cb 0.48 1.18 -0.04 0.00 -0.02 0.00 0.00 41.12 42.72 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 -3.26 -1.87 -0.01 2.24 0.00 -0.78 -4.96 121.76 113.13 2ks0 s ALA 59 Ca 0.01 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2ks0 s ALA 59 Cb 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2ks0 s ALA 59 CO 0.85 -0.43 -0.00 -0.51 0.00 0.00 0.00 175.76 175.66 2ks0 s LEU 60 N -1.53 1.57 -0.08 0.00 1.43 -1.26 -1.28 118.68 117.52 2ks0 s LEU 60 Ca -0.01 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2ks0 s LEU 60 Cb -0.01 -0.13 0.02 0.00 0.03 0.00 0.00 46.19 46.11 2ks0 s LEU 60 CO -0.00 -0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 175.77 2ks0 s VAL 61 N 0.50 0.90 -0.18 -1.59 1.01 -1.01 -5.02 120.40 114.99 2ks0 s VAL 61 Ca -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2ks0 s VAL 61 Cb -0.07 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.47 2ks0 s VAL 61 CO -0.01 0.33 0.02 -0.47 0.00 0.00 0.00 175.10 174.96 2ks0 s TYR 62 N 1.26 1.13 -0.43 5.22 6.14 -1.26 -2.33 117.35 127.08 2ks0 s TYR 62 Ca -0.04 -0.86 -0.13 0.00 0.64 0.00 0.00 57.07 56.68 2ks0 s TYR 62 Cb -0.14 -1.06 -0.12 0.00 0.42 0.00 0.00 41.96 41.06 2ks0 s TYR 62 CO -0.03 -0.59 1.44 -2.30 0.64 0.00 0.00 175.55 174.71 2ks0 n PRO 63 N 5.02 0.04 -2.33 4.97 -0.02 -1.26 -4.78 135.00 136.64 2ks0 n PRO 63 Ca -0.09 -0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 60.30 2ks0 n PRO 63 Cb 0.47 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2ks0 n PRO 63 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ks0 s LEU 64 N 6.94 3.41 -0.29 2.45 0.20 -1.26 -4.81 118.68 125.32 2ks0 s LEU 64 Ca 0.37 -1.67 -0.15 0.00 0.69 0.00 0.00 54.13 53.37 2ks0 s LEU 64 Cb -0.01 -2.58 0.12 0.00 -0.43 0.00 0.00 46.19 43.29 2ks0 s LEU 64 CO 0.10 -2.10 0.79 -1.61 -0.29 0.00 0.00 176.35 173.23 2ks0 s GLU 65 N 5.57 0.55 -0.01 1.98 2.02 -1.26 -5.00 118.70 122.55 2ks0 s GLU 65 Ca 0.60 1.08 0.09 0.00 0.02 0.00 0.00 54.97 56.76 2ks0 s GLU 65 Cb -0.00 0.32 0.28 0.00 0.10 0.00 0.00 34.13 34.83 2ks0 s GLU 65 CO 0.04 -0.14 1.20 -2.39 0.02 0.00 0.00 175.26 174.00 2ks0 n HIS 66 N 4.49 0.46 -3.83 1.61 1.44 -1.26 -4.86 115.22 113.26 2ks0 n HIS 66 Ca -0.17 -0.22 -0.09 0.00 -2.01 0.00 0.00 57.72 55.23 2ks0 n HIS 66 Cb 0.56 -0.03 -0.05 0.00 0.12 0.00 0.00 29.99 30.59 2ks0 n HIS 66 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2ks0 s HIS 67 N -1.60 0.09 -0.32 -1.40 0.00 -1.26 -5.07 115.29 105.72 2ks0 s HIS 67 Ca 0.21 -0.45 0.15 0.00 -3.00 0.00 0.00 55.06 51.97 2ks0 s HIS 67 Cb 0.11 0.22 0.44 0.00 -4.00 0.00 0.00 32.58 29.35 2ks0 s HIS 67 CO 0.13 -0.85 1.39 1.58 -1.00 0.00 0.00 174.74 176.00 2ks0 n HIS 68 N -0.29 -1.12 -3.79 0.38 -0.00 -1.26 -5.13 115.22 104.02 2ks0 n HIS 68 Ca -0.09 -1.89 -0.03 0.00 0.46 0.00 0.00 57.72 56.17 2ks0 n HIS 68 Cb 0.63 1.03 0.02 0.00 -0.12 0.00 0.00 29.99 31.54 2ks0 n HIS 68 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2ks0 n HIS 69 N -1.16 -1.31 0.12 1.57 1.44 -1.26 -5.10 115.22 109.52 2ks0 n HIS 69 Ca -0.09 -1.08 0.00 0.00 -2.01 0.00 0.00 57.72 54.54 2ks0 n HIS 69 Cb 0.85 0.53 0.00 0.00 0.12 0.00 0.00 29.99 31.49 2ks0 n HIS 69 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2ks0 n HIS 70 N -0.56 -3.09 -0.46 -1.40 1.44 -1.26 -5.23 115.22 104.65 2ks0 n HIS 70 Ca -0.02 0.73 0.00 0.00 -2.01 0.00 0.00 57.72 56.42 2ks0 n HIS 70 Cb 0.47 1.94 0.00 0.00 0.12 0.00 0.00 29.99 32.52 2ks0 n HIS 70 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25