#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj6 n GLY 2 N 0.00 1.48 2.24 3.17 0.00 -1.26 -4.68 105.19 106.14 2kj6 n GLY 2 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 2kj6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kj6 n HIS 3 N 0.00 -2.41 -1.55 1.61 -0.00 -1.26 -4.84 115.22 106.77 2kj6 n HIS 3 Ca 0.00 1.06 -0.39 0.00 -0.00 0.00 0.00 57.72 58.39 2kj6 n HIS 3 Cb 0.00 -3.03 -0.04 0.00 -0.00 0.00 0.00 29.99 26.92 2kj6 n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kj6 n HIS 4 N 0.36 1.53 -3.34 4.41 -0.00 -1.26 -4.90 115.22 112.03 2kj6 n HIS 4 Ca 0.01 0.08 -0.46 0.00 -0.00 0.00 0.00 57.72 57.34 2kj6 n HIS 4 Cb 0.02 -2.64 -0.04 0.00 -0.00 0.00 0.00 29.99 27.33 2kj6 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kj6 s HIS 5 N 10.73 3.50 -0.34 1.57 5.04 -1.26 -4.95 115.29 129.58 2kj6 s HIS 5 Ca 1.02 -1.68 0.00 0.00 -1.54 0.00 0.00 55.06 52.86 2kj6 s HIS 5 Cb -0.32 -3.78 0.14 0.00 0.04 0.00 0.00 32.58 28.66 2kj6 s HIS 5 CO 0.31 -1.00 0.27 -1.58 -2.34 0.00 0.00 174.74 170.40 2kj6 s HIS 6 N 0.89 0.09 -0.01 3.88 2.46 -1.26 -5.12 115.29 116.22 2kj6 s HIS 6 Ca 0.10 -0.96 0.01 0.00 0.47 0.00 0.00 55.06 54.68 2kj6 s HIS 6 Cb -0.21 -0.66 0.00 0.00 -0.13 0.00 0.00 32.58 31.59 2kj6 s HIS 6 CO -0.03 -0.89 -0.03 -1.58 -2.47 0.00 0.00 174.74 169.74 2kj6 s HIS 7 N 1.61 0.31 0.08 3.88 5.04 -1.26 -5.15 115.29 119.80 2kj6 s HIS 7 Ca 0.14 -0.05 -0.13 0.00 -1.54 0.00 0.00 55.06 53.49 2kj6 s HIS 7 Cb -0.18 -0.24 -0.06 0.00 0.04 0.00 0.00 32.58 32.14 2kj6 s HIS 7 CO -0.13 -0.03 0.46 -1.01 -2.34 0.00 0.00 174.74 171.69 2kj6 s HIS 8 N 0.16 3.64 -0.29 3.88 0.09 -1.26 -5.06 115.29 116.44 2kj6 s HIS 8 Ca -0.01 0.96 0.05 0.00 -0.00 0.00 0.00 55.06 56.05 2kj6 s HIS 8 Cb -0.04 -2.28 0.19 0.00 -0.00 0.00 0.00 32.58 30.45 2kj6 s HIS 8 CO -0.00 0.52 0.55 0.45 -0.00 0.00 0.00 174.74 176.25 2kj6 s SER 9 N -1.55 -1.15 0.00 1.40 0.15 -1.26 -4.96 113.70 106.33 2kj6 s SER 9 Ca 0.32 0.08 0.27 0.00 0.70 0.00 0.00 55.95 57.32 2kj6 s SER 9 Cb -0.15 1.82 0.80 0.00 -1.71 0.00 0.00 66.02 66.78 2kj6 s SER 9 CO 0.17 -0.31 1.61 1.57 1.20 0.00 0.00 173.24 177.48 2kj6 n HIS 10 N 5.40 0.00 0.10 3.44 -0.00 -1.26 -3.93 115.22 118.98 2kj6 n HIS 10 Ca 0.04 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.06 2kj6 n HIS 10 Cb 0.53 -0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.27 2kj6 n HIS 10 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2kj6 h GLY 11 N 4.82 0.35 -5.49 1.57 0.00 -2.05 -3.48 103.07 98.80 2kj6 h GLY 11 Ca 0.00 -0.85 -0.36 0.00 0.00 0.00 0.00 47.33 46.11 2kj6 h GLY 11 CO 0.00 0.75 -0.64 1.34 0.00 0.00 0.00 176.54 177.99 2kj6 n ASP 12 N -3.57 -5.56 0.24 0.19 2.03 -1.25 -4.88 116.55 103.74 2kj6 n ASP 12 Ca -0.09 -0.51 0.08 0.00 0.52 0.00 0.00 54.79 54.79 2kj6 n ASP 12 Cb 1.01 -4.72 0.60 0.00 -0.72 0.00 0.00 41.12 37.28 2kj6 n ASP 12 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kj6 h ASP 13 N -2.42 0.00 -2.49 1.67 5.19 -1.93 -3.43 116.42 113.01 2kj6 h ASP 13 Ca -0.53 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.35 2kj6 h ASP 13 Cb 1.34 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.89 2kj6 h ASP 13 CO 0.51 0.13 1.12 -1.20 -3.12 0.00 0.00 179.24 176.68 2kj6 n SER 14 N -4.18 4.05 -4.75 6.45 7.64 -1.26 -4.36 113.62 117.21 2kj6 n SER 14 Ca -0.02 0.98 -0.41 0.00 1.01 0.00 0.00 58.87 60.43 2kj6 n SER 14 Cb 0.21 -1.54 -0.03 0.00 -1.01 0.00 0.00 64.21 61.83 2kj6 n SER 14 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kj6 s VAL 15 N 2.79 3.20 -1.08 0.44 -7.23 -0.90 -4.79 120.40 112.84 2kj6 s VAL 15 Ca 0.82 1.10 -0.14 0.00 -1.81 0.00 0.00 61.98 61.96 2kj6 s VAL 15 Cb -0.48 -3.70 0.20 0.00 0.56 0.00 0.00 36.38 32.95 2kj6 s VAL 15 CO 0.37 0.22 1.20 -1.00 -0.31 0.00 0.00 175.10 175.59 2kj6 s HIS 16 N -0.63 3.65 -0.48 2.82 3.76 -1.26 -3.96 115.29 119.19 2kj6 s HIS 16 Ca 0.50 -2.10 -0.18 0.00 -0.15 0.00 0.00 55.06 53.14 2kj6 s HIS 16 Cb -0.36 -4.13 0.06 0.00 1.11 0.00 0.00 32.58 29.27 2kj6 s HIS 16 CO 0.43 -1.25 0.52 -0.51 -0.85 0.00 0.00 174.74 173.08 2kj6 s LEU 17 N 0.92 5.18 -0.09 0.89 1.43 -1.21 -3.77 118.68 122.04 2kj6 s LEU 17 Ca 0.34 -1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 2kj6 s LEU 17 Cb -0.06 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2kj6 s LEU 17 CO -0.05 -0.76 1.01 -1.00 0.23 0.00 0.00 176.35 175.78 2kj6 s HIS 18 N 2.21 3.52 -0.23 0.29 3.76 -1.17 -0.16 115.29 123.52 2kj6 s HIS 18 Ca 0.11 1.59 -0.25 0.00 -0.15 0.00 0.00 55.06 56.37 2kj6 s HIS 18 Cb -0.21 -3.19 -0.01 0.00 1.11 0.00 0.00 32.58 30.29 2kj6 s HIS 18 CO 0.10 -0.24 0.82 0.42 -0.85 0.00 0.00 174.74 174.99 2kj6 s ILE 19 N 1.87 4.85 -0.78 0.60 1.01 0.13 -1.08 121.20 127.80 2kj6 s ILE 19 Ca 0.49 1.56 -0.16 0.00 0.00 0.00 0.00 60.65 62.54 2kj6 s ILE 19 Cb -0.19 -4.11 0.17 0.00 0.01 0.00 0.00 42.46 38.34 2kj6 s ILE 19 CO 0.20 -0.05 0.81 -0.89 0.00 0.00 0.00 174.94 175.01 2kj6 s THR 20 N 2.70 5.24 -0.03 2.92 2.01 0.15 -4.34 115.64 124.29 2kj6 s THR 20 Ca 0.35 -1.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.14 2kj6 s THR 20 Cb -0.15 -4.53 -0.03 0.00 0.01 0.00 0.00 72.50 67.80 2kj6 s THR 20 CO 0.08 -1.14 0.93 -2.28 -0.69 0.00 0.00 174.62 171.52 2kj6 s HIS 21 N 1.30 3.62 -0.05 4.92 2.46 -1.26 -1.76 115.29 124.52 2kj6 s HIS 21 Ca 0.19 1.58 -0.18 0.00 0.47 0.00 0.00 55.06 57.12 2kj6 s HIS 21 Cb -0.13 -3.07 -0.12 0.00 -0.13 0.00 0.00 32.58 29.13 2kj6 s HIS 21 CO -0.05 -0.03 0.74 0.00 -2.47 0.00 0.00 174.74 172.92 2kj6 h ALA 22 N 6.85 -0.32 0.78 1.58 0.00 -1.94 -3.19 119.26 123.02 2kj6 h ALA 22 Ca -0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2kj6 h ALA 22 Cb 1.20 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2kj6 h ALA 22 CO 0.77 -0.35 -0.37 -0.91 0.00 0.00 0.00 179.25 178.38 2kj6 h ASN 23 N -0.97 -0.88 -3.37 0.00 4.21 -1.92 -3.33 115.58 109.32 2kj6 h ASN 23 Ca -0.03 0.03 -0.77 0.00 1.21 0.00 0.00 56.30 56.74 2kj6 h ASN 23 Cb 0.46 0.23 -0.24 0.00 -1.12 0.00 0.00 38.32 37.65 2kj6 h ASN 23 CO 0.05 -0.60 0.39 -0.76 -1.29 0.00 0.00 177.43 175.23 2kj6 s LEU 24 N -8.85 6.21 0.00 1.61 1.02 -1.26 -4.84 118.68 112.57 2kj6 s LEU 24 Ca -0.15 -2.70 0.28 0.00 0.02 0.00 0.00 54.13 51.58 2kj6 s LEU 24 Cb 0.02 -2.26 1.06 0.00 0.02 0.00 0.00 46.19 45.02 2kj6 s LEU 24 CO 0.46 -0.65 1.76 2.29 0.02 0.00 0.00 176.35 180.23 2kj6 n LYS 25 N 4.48 0.52 -0.06 1.70 2.85 -1.20 -2.89 118.16 123.55 2kj6 n LYS 25 Ca 0.19 -0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.37 2kj6 n LYS 25 Cb 0.46 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.55 2kj6 n LYS 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2kj6 n SER 26 N -1.07 2.84 -4.37 -5.58 2.88 -1.26 -4.77 113.62 102.29 2kj6 n SER 26 Ca 0.12 -1.91 -0.45 0.00 -1.33 0.00 0.00 58.87 55.30 2kj6 n SER 26 Cb 0.30 -0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 2kj6 n SER 26 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2kj6 s PHE 27 N -1.85 3.08 -0.62 0.66 5.36 -1.14 -5.01 117.98 118.46 2kj6 s PHE 27 Ca 0.33 -1.10 -0.24 0.00 -0.96 0.00 0.00 56.93 54.96 2kj6 s PHE 27 Cb 0.21 -4.00 0.05 0.00 -0.34 0.00 0.00 43.02 38.94 2kj6 s PHE 27 CO 0.31 -1.26 0.99 -1.12 -1.46 0.00 0.00 175.22 172.68 2kj6 s SER 28 N 3.52 6.25 0.00 6.13 0.01 -1.26 -4.70 113.70 123.66 2kj6 s SER 28 Ca 0.12 -0.62 0.07 0.00 1.31 0.00 0.00 55.95 56.83 2kj6 s SER 28 Cb -0.23 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 2kj6 s SER 28 CO 0.04 -1.39 -0.22 0.00 0.41 0.00 0.00 173.24 172.08 2kj6 s ALA 29 N 4.20 1.85 0.05 1.44 0.00 -1.26 -5.07 121.76 122.97 2kj6 s ALA 29 Ca 0.28 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2kj6 s ALA 29 Cb -0.14 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2kj6 s ALA 29 CO 0.15 0.44 -0.19 0.16 0.00 0.00 0.00 175.76 176.32 2kj6 s ASP 30 N -0.75 2.27 -0.77 0.00 -4.77 -1.26 -0.69 116.67 110.70 2kj6 s ASP 30 Ca 0.09 -0.52 -0.19 0.00 -3.30 0.00 0.00 52.55 48.63 2kj6 s ASP 30 Cb -0.09 -0.17 0.13 0.00 -1.09 0.00 0.00 42.92 41.70 2kj6 s ASP 30 CO 0.00 0.12 0.92 0.00 0.70 0.00 0.00 175.17 176.90 2kj6 s ALA 31 N -0.85 3.45 -0.77 2.11 0.00 0.78 -4.91 121.76 121.56 2kj6 s ALA 31 Ca 0.06 -2.53 -0.13 0.00 0.00 0.00 0.00 51.96 49.35 2kj6 s ALA 31 Cb -0.09 -3.78 0.20 0.00 0.00 0.00 0.00 23.12 19.46 2kj6 s ALA 31 CO 0.02 -2.65 0.70 -0.98 0.00 0.00 0.00 175.76 172.85 2kj6 s ARG 32 N 2.54 3.41 0.08 0.00 1.70 -1.26 -3.31 118.95 122.10 2kj6 s ARG 32 Ca 0.22 -2.39 0.05 0.00 -0.47 0.00 0.00 55.73 53.14 2kj6 s ARG 32 Cb -0.14 -4.33 -0.03 0.00 -0.57 0.00 0.00 34.95 29.88 2kj6 s ARG 32 CO -0.01 -1.28 -0.14 -0.06 -1.08 0.00 0.00 175.30 172.73 2kj6 s PHE 33 N 0.28 1.20 0.26 5.89 0.08 -1.25 -4.92 117.98 119.52 2kj6 s PHE 33 Ca 0.16 -0.48 -0.30 0.00 0.12 0.00 0.00 56.93 56.44 2kj6 s PHE 33 Cb -0.13 -0.67 -0.10 0.00 -0.57 0.00 0.00 43.02 41.54 2kj6 s PHE 33 CO -0.07 0.06 1.44 -1.12 -0.10 0.00 0.00 175.22 175.43 2kj6 s SER 34 N -1.82 6.64 0.00 1.36 0.01 -1.26 -2.11 113.70 116.51 2kj6 s SER 34 Ca -0.01 2.69 0.00 0.00 1.31 0.00 0.00 55.95 59.94 2kj6 s SER 34 Cb -0.09 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2kj6 s SER 34 CO 0.02 -0.71 0.31 -0.81 0.41 0.00 0.00 173.24 172.47 2kj6 n PRO 35 N 2.20 0.58 0.02 12.44 -0.04 -1.26 -2.75 135.00 146.18 2kj6 n PRO 35 Ca 0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2kj6 n PRO 35 Cb 0.40 -1.28 0.27 0.00 -0.04 0.00 0.00 33.50 32.85 2kj6 n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kj6 n GLN 36 N 0.26 0.10 -3.68 0.54 6.02 -1.26 0.20 117.38 119.54 2kj6 n GLN 36 Ca 0.00 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 2kj6 n GLN 36 Cb 0.16 -1.56 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2kj6 s MET 37 N -3.05 3.64 0.08 -1.09 1.75 -1.11 -4.82 119.30 114.69 2kj6 s MET 37 Ca 0.10 -0.03 -0.03 0.00 -1.25 0.00 0.00 55.69 54.48 2kj6 s MET 37 Cb 0.16 -2.97 -0.05 0.00 2.84 0.00 0.00 34.83 34.82 2kj6 s MET 37 CO 0.69 0.56 0.28 -1.54 -0.65 0.00 0.00 175.02 174.35 2kj6 s SER 38 N -2.02 6.42 0.58 1.11 1.04 -1.26 -3.94 113.70 115.63 2kj6 s SER 38 Ca 0.34 0.42 0.35 0.00 0.48 0.00 0.00 55.95 57.54 2kj6 s SER 38 Cb -0.13 -2.02 1.77 0.00 0.10 0.00 0.00 66.02 65.74 2kj6 s SER 38 CO 0.20 0.14 2.16 1.62 0.98 0.00 0.00 173.24 178.34 2kj6 h VAL 39 N 2.19 0.25 -0.70 5.02 3.04 -1.81 -1.87 116.25 122.37 2kj6 h VAL 39 Ca -0.46 -0.33 0.07 0.00 -1.01 0.00 0.00 66.70 64.97 2kj6 h VAL 39 Cb 1.17 1.26 -0.04 0.00 -2.01 0.00 0.00 31.29 31.66 2kj6 h VAL 39 CO 0.73 0.05 0.46 -0.08 -1.01 0.00 0.00 177.57 177.72 2kj6 h GLU 40 N 0.00 0.69 0.00 4.17 4.22 -1.79 -2.56 114.58 119.31 2kj6 h GLU 40 Ca -0.00 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2kj6 h GLU 40 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kj6 h GLU 40 CO 0.01 0.45 -0.15 0.00 -2.18 0.00 0.00 179.01 177.14 2kj6 h ALA 41 N 1.62 0.91 0.00 2.92 0.00 -1.64 -3.29 119.26 119.79 2kj6 h ALA 41 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.93 2kj6 h ALA 41 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2kj6 h ALA 41 CO -0.10 0.00 -1.84 1.55 0.00 0.00 0.00 179.25 178.86 2kj6 n VAL 42 N -2.61 1.46 0.14 0.00 3.14 -0.98 -3.79 118.33 115.68 2kj6 n VAL 42 Ca 0.04 -0.79 -0.14 0.00 -2.96 0.00 0.00 64.34 60.49 2kj6 n VAL 42 Cb 0.48 -0.84 -0.08 0.00 -1.06 0.00 0.00 33.84 32.35 2kj6 n VAL 42 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2kj6 h LYS 43 N 0.00 -0.29 -0.73 1.45 1.79 -1.58 -1.38 116.57 115.83 2kj6 h LYS 43 Ca -0.33 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.19 2kj6 h LYS 43 Cb 1.99 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 32.66 2kj6 h LYS 43 CO 0.06 -0.12 0.48 1.49 -1.08 0.00 0.00 179.45 180.29 2kj6 h GLU 44 N -0.40 0.88 -0.20 3.15 4.81 -1.76 -1.44 114.58 119.62 2kj6 h GLU 44 Ca -0.03 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 2kj6 h GLU 44 Cb 0.30 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2kj6 h GLU 44 CO 0.05 0.58 -0.25 -0.22 -0.73 0.00 0.00 179.01 178.44 2kj6 h LYS 45 N 0.91 0.36 -0.04 1.92 3.64 -1.55 -0.83 116.57 120.98 2kj6 h LYS 45 Ca 0.29 -0.13 -0.20 0.00 -1.27 0.00 0.00 60.65 59.34 2kj6 h LYS 45 Cb 0.03 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2kj6 h LYS 45 CO -0.08 0.59 -0.76 -0.07 -2.27 0.00 0.00 179.45 176.87 2kj6 h LEU 46 N 0.32 0.73 -0.79 5.20 3.38 -0.69 -2.89 115.31 120.57 2kj6 h LEU 46 Ca 0.05 -0.72 0.04 0.00 0.09 0.00 0.00 57.88 57.34 2kj6 h LEU 46 Cb 0.62 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2kj6 h LEU 46 CO 0.04 1.34 0.50 -0.25 0.09 0.00 0.00 178.44 180.16 2kj6 h TRP 47 N 0.18 0.93 -0.00 1.13 7.01 -0.92 0.98 115.95 125.26 2kj6 h TRP 47 Ca -0.08 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.94 2kj6 h TRP 47 Cb 1.43 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 28.18 2kj6 h TRP 47 CO 0.12 0.52 -0.06 0.36 -2.79 0.00 0.00 178.44 176.59 2kj6 n LYS 48 N -4.62 0.15 -0.11 2.65 2.85 -0.35 -1.85 118.16 116.88 2kj6 n LYS 48 Ca 0.10 -0.02 -0.19 0.00 -1.05 0.00 0.00 58.31 57.15 2kj6 n LYS 48 Cb 0.10 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.92 2kj6 n LYS 48 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2kj6 n LYS 49 N -1.41 0.55 0.07 -1.58 4.81 -0.65 -4.71 118.16 115.25 2kj6 n LYS 49 Ca 0.09 0.27 -0.18 0.00 -0.87 0.00 0.00 58.31 57.62 2kj6 n LYS 49 Cb 0.31 -1.49 -0.14 0.00 0.02 0.00 0.00 35.03 33.73 2kj6 n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kj6 n GLY 51 N 1.68 0.30 3.92 0.00 0.00 -0.77 -5.07 105.19 105.24 2kj6 n GLY 51 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2kj6 n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kj6 s THR 52 N -2.06 4.24 -0.22 2.61 -1.32 -1.26 -5.02 115.64 112.61 2kj6 s THR 52 Ca 0.00 0.01 -0.18 0.00 -1.21 0.00 0.00 61.69 60.31 2kj6 s THR 52 Cb 0.00 -3.63 -0.03 0.00 -1.51 0.00 0.00 72.50 67.33 2kj6 s THR 52 CO 0.00 -0.61 0.52 -0.44 -2.21 0.00 0.00 174.62 171.88 2kj6 s SER 53 N -4.21 6.52 0.30 8.08 0.01 -1.26 -4.45 113.70 118.69 2kj6 s SER 53 Ca 0.50 0.63 0.26 0.00 1.31 0.00 0.00 55.95 58.65 2kj6 s SER 53 Cb -0.10 -2.29 0.93 0.00 0.21 0.00 0.00 66.02 64.76 2kj6 s SER 53 CO 0.44 -0.22 1.76 -0.37 0.41 0.00 0.00 173.24 175.26 2kj6 h VAL 54 N 5.22 0.00 0.00 3.43 -1.51 -1.95 -1.66 116.25 119.79 2kj6 h VAL 54 Ca -0.32 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 2kj6 h VAL 54 Cb 1.15 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2kj6 h VAL 54 CO 0.73 0.00 0.00 -1.13 -1.23 0.00 0.00 177.57 175.94 2kj6 h ASN 55 N 0.00 0.00 -0.22 4.19 -1.24 -1.98 -2.19 115.58 114.14 2kj6 h ASN 55 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kj6 h ASN 55 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 2kj6 h ASN 55 CO 0.00 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 2kj6 n SER 56 N -2.59 2.73 -4.49 1.15 7.64 -0.64 -4.91 113.62 112.51 2kj6 n SER 56 Ca 0.02 -1.80 -0.42 0.00 1.01 0.00 0.00 58.87 57.67 2kj6 n SER 56 Cb 0.28 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kj6 s MET 57 N -1.17 3.17 -0.46 1.43 -2.45 -0.82 -4.97 119.30 114.02 2kj6 s MET 57 Ca 0.24 -0.58 -0.29 0.00 -1.25 0.00 0.00 55.69 53.82 2kj6 s MET 57 Cb 0.15 -4.19 0.03 0.00 1.25 0.00 0.00 34.83 32.07 2kj6 s MET 57 CO 0.21 -1.86 1.15 0.00 1.05 0.00 0.00 175.02 175.57 2kj6 s ALA 58 N 4.51 3.17 -0.33 4.11 0.00 -1.26 -4.99 121.76 126.97 2kj6 s ALA 58 Ca 0.27 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 2kj6 s ALA 58 Cb -0.14 -3.88 0.04 0.00 0.00 0.00 0.00 23.12 19.14 2kj6 s ALA 58 CO 0.13 -2.21 0.09 -0.51 0.00 0.00 0.00 175.76 173.26 2kj6 s LEU 59 N 4.46 4.24 -0.53 0.00 1.43 -1.26 -1.86 118.68 125.16 2kj6 s LEU 59 Ca 0.49 -1.11 -0.20 0.00 -1.03 0.00 0.00 54.13 52.28 2kj6 s LEU 59 Cb -0.08 -1.86 0.06 0.00 0.03 0.00 0.00 46.19 44.35 2kj6 s LEU 59 CO 0.31 -0.31 0.69 -1.61 0.23 0.00 0.00 176.35 175.66 2kj6 s GLU 60 N 1.40 3.14 -0.85 1.70 2.02 0.06 -4.93 118.70 121.24 2kj6 s GLU 60 Ca -0.02 -0.86 -0.22 0.00 0.02 0.00 0.00 54.97 53.89 2kj6 s GLU 60 Cb -0.19 -4.12 0.08 0.00 0.10 0.00 0.00 34.13 30.00 2kj6 s GLU 60 CO 0.02 -1.32 1.19 -1.17 0.02 0.00 0.00 175.26 174.00 2kj6 s LEU 61 N 2.87 4.20 0.25 1.80 2.96 -1.26 -1.01 118.68 128.50 2kj6 s LEU 61 Ca 0.17 -1.38 -0.12 0.00 -0.22 0.00 0.00 54.13 52.58 2kj6 s LEU 61 Cb -0.19 -2.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.95 2kj6 s LEU 61 CO 0.12 -1.39 0.61 -0.31 -1.32 0.00 0.00 176.35 174.06 2kj6 s TYR 62 N 4.08 3.43 -2.25 5.38 2.02 -0.66 -0.85 117.35 128.51 2kj6 s TYR 62 Ca 0.34 1.00 0.29 0.00 -0.37 0.00 0.00 57.07 58.33 2kj6 s TYR 62 Cb -0.07 -2.36 1.42 0.00 -0.40 0.00 0.00 41.96 40.54 2kj6 s TYR 62 CO -0.01 0.23 1.95 -0.40 -1.57 0.00 0.00 175.55 175.75 2kj6 n ASP 63 N -0.12 0.78 0.00 2.29 5.75 -0.25 -1.85 116.55 123.15 2kj6 n ASP 63 Ca 0.01 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 2kj6 n ASP 63 Cb 0.53 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2kj6 n ASP 63 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kj6 n ASP 64 N -0.38 0.00 0.09 -1.12 2.03 -1.26 -4.80 116.55 111.11 2kj6 n ASP 64 Ca 0.21 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.48 2kj6 n ASP 64 Cb 0.23 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 2kj6 n ASP 64 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2kj6 h SER 65 N 0.00 0.00 0.00 1.67 4.64 -2.00 -3.47 113.55 114.39 2kj6 h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kj6 h SER 65 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kj6 h SER 65 CO 0.00 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 2kj6 n GLY 66 N 1.16 -0.41 3.86 -0.77 0.00 -1.26 -5.14 105.19 102.63 2kj6 n GLY 66 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kj6 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kj6 s SER 67 N 0.00 6.20 -0.12 1.61 0.01 -1.26 -4.96 113.70 115.18 2kj6 s SER 67 Ca 0.00 0.36 -0.23 0.00 1.31 0.00 0.00 55.95 57.39 2kj6 s SER 67 Cb 0.00 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 2kj6 s SER 67 CO 0.00 0.34 0.71 -1.59 0.41 0.00 0.00 173.24 173.11 2kj6 s LYS 68 N -1.41 4.35 -0.22 12.44 -2.85 -1.26 -1.09 119.74 129.69 2kj6 s LYS 68 Ca 0.20 0.84 0.15 0.00 -1.00 0.00 0.00 55.97 56.16 2kj6 s LYS 68 Cb -0.12 -3.51 0.75 0.00 -2.06 0.00 0.00 37.83 32.89 2kj6 s LYS 68 CO 0.10 -0.10 1.67 1.33 0.10 0.00 0.00 175.35 178.45 2kj6 n VAL 69 N 4.21 2.65 -2.77 1.79 0.24 -0.03 -4.92 118.33 119.51 2kj6 n VAL 69 Ca -0.00 -1.53 -0.43 0.00 -2.04 0.00 0.00 64.34 60.34 2kj6 n VAL 69 Cb 0.50 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.57 2kj6 n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kj6 s ALA 70 N -2.79 3.11 -0.09 2.33 0.00 -1.25 -4.75 121.76 118.32 2kj6 s ALA 70 Ca 0.52 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2kj6 s ALA 70 Cb 0.40 -3.83 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 2kj6 s ALA 70 CO 0.14 -2.49 0.01 1.55 0.00 0.00 0.00 175.76 174.97 2kj6 n VAL 71 N 6.31 0.63 -2.98 0.00 3.14 -1.26 -5.07 118.33 119.10 2kj6 n VAL 71 Ca 0.03 -0.36 -0.13 0.00 -2.96 0.00 0.00 64.34 60.92 2kj6 n VAL 71 Cb 0.48 -0.79 0.01 0.00 -1.06 0.00 0.00 33.84 32.49 2kj6 n VAL 71 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kj6 n LEU 72 N -2.43 -6.74 0.00 6.55 7.99 -1.26 -4.96 117.00 116.15 2kj6 n LEU 72 Ca -0.16 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 2kj6 n LEU 72 Cb 0.78 -2.98 0.00 0.00 -0.11 0.00 0.00 43.42 41.11 2kj6 n LEU 72 CO 0.18 -1.96 0.33 -0.24 -1.51 0.00 0.00 177.39 174.19 2kj6 n SER 73 N -0.12 1.05 -0.88 -1.43 2.88 -1.26 -4.75 113.62 109.12 2kj6 n SER 73 Ca 0.06 -1.44 0.02 0.00 -1.33 0.00 0.00 58.87 56.18 2kj6 n SER 73 Cb 0.46 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.13 2kj6 n SER 73 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kj6 n ASP 74 N -0.22 2.68 -0.01 -3.46 8.00 -1.26 -4.75 116.55 117.53 2kj6 n ASP 74 Ca 0.00 -3.53 -0.09 0.00 0.71 0.00 0.00 54.79 51.88 2kj6 n ASP 74 Cb 0.27 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 2kj6 n ASP 74 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2kj6 h ASP 75 N 1.05 -0.47 -0.42 -2.24 1.82 -2.00 -2.62 116.42 111.54 2kj6 h ASP 75 Ca 0.11 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 2kj6 h ASP 75 Cb 1.44 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.67 2kj6 h ASP 75 CO 0.25 -0.19 0.00 -1.20 -1.61 0.00 0.00 179.24 176.48 2kj6 n SER 76 N -5.30 3.44 -4.92 2.28 7.64 -1.26 -2.21 113.62 113.29 2kj6 n SER 76 Ca -0.03 -1.98 -0.30 0.00 1.01 0.00 0.00 58.87 57.56 2kj6 n SER 76 Cb 0.21 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kj6 s ARG 77 N -1.45 3.43 0.05 1.43 0.52 -0.99 -4.95 118.95 116.98 2kj6 s ARG 77 Ca 0.40 -0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 54.84 2kj6 s ARG 77 Cb 0.23 -3.03 -0.07 0.00 0.52 0.00 0.00 34.95 32.60 2kj6 s ARG 77 CO 0.32 0.60 1.53 -2.14 0.02 0.00 0.00 175.30 175.62 2kj6 s PRO 78 N -2.58 4.24 0.57 3.54 0.02 -1.26 -4.56 135.00 134.98 2kj6 s PRO 78 Ca 0.35 2.16 0.30 0.00 0.02 0.00 0.00 61.00 63.83 2kj6 s PRO 78 Cb -0.13 -3.55 1.75 0.00 0.02 0.00 0.00 34.50 32.59 2kj6 s PRO 78 CO 0.28 -0.65 2.21 1.25 -0.33 0.00 0.00 177.00 179.76 2kj6 h LEU 79 N 8.31 0.00 -1.41 -5.54 5.85 -1.40 -1.07 115.31 120.05 2kj6 h LEU 79 Ca -0.41 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2kj6 h LEU 79 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2kj6 h LEU 79 CO 0.91 0.04 -0.21 1.23 -0.34 0.00 0.00 178.44 180.07 2kj6 h GLY 80 N 0.26 0.13 1.16 3.75 0.00 -0.59 0.21 103.07 108.00 2kj6 h GLY 80 Ca -0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 47.02 2kj6 h GLY 80 CO 0.00 0.08 -0.81 -2.75 0.00 0.00 0.00 176.54 173.06 2kj6 h PHE 81 N 0.12 1.05 -0.49 5.60 3.57 -1.45 -3.17 116.94 122.17 2kj6 h PHE 81 Ca 0.02 -0.48 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 2kj6 h PHE 81 Cb 0.44 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2kj6 h PHE 81 CO 0.00 1.32 0.09 0.35 -2.23 0.00 0.00 178.31 177.84 2kj6 h PHE 82 N 0.48 0.86 -4.79 0.41 3.57 -1.42 -3.49 116.94 112.56 2kj6 h PHE 82 Ca -0.07 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.32 2kj6 h PHE 82 Cb 1.45 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2kj6 h PHE 82 CO 0.09 0.78 -0.82 0.45 -2.23 0.00 0.00 178.31 176.58 2kj6 n SER 83 N -4.43 -7.06 -4.87 0.41 2.88 0.73 -5.01 113.62 96.27 2kj6 n SER 83 Ca 0.01 1.19 -0.31 0.00 -1.33 0.00 0.00 58.87 58.43 2kj6 n SER 83 Cb 0.25 -4.64 0.01 0.00 -0.75 0.00 0.00 64.21 59.07 2kj6 n SER 83 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2kj6 s PRO 84 N -1.39 3.62 0.59 -1.46 0.04 -1.26 -4.95 135.00 130.18 2kj6 s PRO 84 Ca 0.01 0.69 0.29 0.00 0.04 0.00 0.00 61.00 62.03 2kj6 s PRO 84 Cb -0.00 -2.12 1.71 0.00 0.04 0.00 0.00 34.50 34.13 2kj6 s PRO 84 CO 0.66 -0.50 2.16 0.35 0.04 0.00 0.00 177.00 179.70 2kj6 h PHE 85 N -0.16 0.00 -4.26 0.56 3.57 -2.00 -3.47 116.94 111.17 2kj6 h PHE 85 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2kj6 h PHE 85 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2kj6 h PHE 85 CO 0.65 0.00 -0.53 -3.47 -2.23 0.00 0.00 178.31 172.73 2kj6 n ASP 86 N -3.83 -5.53 0.00 0.41 2.03 -1.26 -5.02 116.55 103.36 2kj6 n ASP 86 Ca -0.00 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.05 2kj6 n ASP 86 Cb 0.24 -3.55 0.00 0.00 -0.72 0.00 0.00 41.12 37.09 2kj6 n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kj6 n GLY 87 N 0.26 -0.45 3.38 0.27 0.00 -1.25 -4.92 105.19 102.48 2kj6 n GLY 87 Ca 0.01 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2kj6 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kj6 s PHE 88 N 0.00 2.10 -0.44 1.61 0.08 -1.26 -4.86 117.98 115.21 2kj6 s PHE 88 Ca 0.00 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.48 2kj6 s PHE 88 Cb 0.00 -1.06 0.03 0.00 -0.57 0.00 0.00 43.02 41.42 2kj6 s PHE 88 CO 0.00 0.40 0.44 1.03 -0.10 0.00 0.00 175.22 176.99 2kj6 s ARG 89 N -2.55 3.07 -1.11 0.44 1.81 -0.77 -3.02 118.95 116.82 2kj6 s ARG 89 Ca 0.17 -0.86 -0.19 0.00 -1.72 0.00 0.00 55.73 53.13 2kj6 s ARG 89 Cb -0.08 -4.00 0.09 0.00 -0.45 0.00 0.00 34.95 30.51 2kj6 s ARG 89 CO 0.08 -0.91 1.47 -0.51 -0.68 0.00 0.00 175.30 174.75 2kj6 s LEU 90 N 2.10 4.13 -0.74 2.53 1.43 -0.24 -1.65 118.68 126.24 2kj6 s LEU 90 Ca 0.11 -2.08 -0.26 0.00 -1.03 0.00 0.00 54.13 50.87 2kj6 s LEU 90 Cb -0.18 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.56 2kj6 s LEU 90 CO 0.12 -1.21 1.23 -2.28 0.23 0.00 0.00 176.35 174.44 2kj6 s HIS 91 N 3.81 2.38 -0.25 0.29 2.46 -0.18 0.33 115.29 124.13 2kj6 s HIS 91 Ca 0.45 -0.20 -0.24 0.00 0.47 0.00 0.00 55.06 55.55 2kj6 s HIS 91 Cb -0.00 -4.57 -0.01 0.00 -0.13 0.00 0.00 32.58 27.87 2kj6 s HIS 91 CO -0.03 -1.99 0.78 0.42 -2.47 0.00 0.00 174.74 171.45 2kj6 s ILE 92 N 5.35 4.87 -0.41 0.89 1.01 -0.72 -0.76 121.20 131.43 2kj6 s ILE 92 Ca 0.33 1.45 -0.27 0.00 0.00 0.00 0.00 60.65 62.16 2kj6 s ILE 92 Cb -0.09 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2kj6 s ILE 92 CO 0.13 -0.06 1.03 -0.63 0.00 0.00 0.00 174.94 175.41 2kj6 s ILE 93 N 2.77 4.42 -1.40 2.92 -1.09 -0.78 -3.14 121.20 124.90 2kj6 s ILE 93 Ca 0.33 1.24 -0.15 0.00 -2.23 0.00 0.00 60.65 59.84 2kj6 s ILE 93 Cb -0.15 -4.46 0.04 0.00 -1.58 0.00 0.00 42.46 36.30 2kj6 s ILE 93 CO 0.08 -0.74 2.12 0.47 -1.23 0.00 0.00 174.94 175.64 2kj6 n ASP 94 N 7.23 4.03 -1.16 3.58 8.00 -1.26 -4.58 116.55 132.38 2kj6 n ASP 94 Ca 0.10 -2.85 0.11 0.00 0.71 0.00 0.00 54.79 52.85 2kj6 n ASP 94 Cb 0.48 -1.66 0.28 0.00 -0.02 0.00 0.00 41.12 40.20 2kj6 n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kj6 n LEU 95 N 6.69 3.38 -4.57 0.64 -0.00 -1.26 -4.86 117.00 117.02 2kj6 n LEU 95 Ca 0.51 -1.65 -0.43 0.00 -0.00 0.00 0.00 56.01 54.44 2kj6 n LEU 95 Cb 0.41 -0.39 -0.03 0.00 -0.00 0.00 0.00 43.42 43.40 2kj6 n LEU 95 CO 0.88 0.83 0.94 -0.62 -0.00 0.00 0.00 177.39 179.41 2kj6 s ASP 96 N -1.09 6.47 0.00 1.45 2.15 -1.26 -5.16 116.67 119.23 2kj6 s ASP 96 Ca 0.42 0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.78 2kj6 s ASP 96 Cb 0.22 -2.51 1.16 0.00 -0.30 0.00 0.00 42.92 41.49 2kj6 s ASP 96 CO 0.30 -1.30 1.81 -0.81 -0.17 0.00 0.00 175.17 174.99