#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w n ASP 2 N 0.00 0.00 -4.76 6.15 9.92 -1.26 -4.84 116.55 121.76 1t6w n ASP 2 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1t6w n ASP 2 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1t6w n ASP 2 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1t6w s SER 3 N 0.00 5.99 0.09 -2.24 0.01 -1.26 -4.39 113.70 111.89 1t6w s SER 3 Ca 0.00 2.58 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1t6w s SER 3 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1t6w s SER 3 CO 0.00 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.20 1t6w n GLY 4 N 0.61 -0.37 3.53 3.44 0.00 -1.26 -4.88 105.19 106.27 1t6w n GLY 4 Ca 0.06 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 1t6w n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t6w n THR 5 N 0.00 2.48 -3.93 2.61 -1.04 -1.26 -3.79 114.28 109.36 1t6w n THR 5 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 1t6w n THR 5 Cb 0.00 -0.87 -0.12 0.00 -1.82 0.00 0.00 70.33 67.53 1t6w n THR 5 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1t6w s VAL 6 N -1.51 0.08 -0.14 12.58 0.11 0.60 -4.70 120.40 127.42 1t6w s VAL 6 Ca 0.67 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1t6w s VAL 6 Cb -0.50 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1t6w s VAL 6 CO 0.54 -0.35 -0.15 0.26 -3.33 0.00 0.00 175.10 172.07 1t6w s TRP 7 N -1.05 2.76 0.31 1.54 0.52 -1.26 -1.20 118.94 120.56 1t6w s TRP 7 Ca -0.12 -0.87 0.01 0.00 0.02 0.00 0.00 56.10 55.14 1t6w s TRP 7 Cb -0.07 -1.85 -0.00 0.00 -1.15 0.00 0.00 33.47 30.40 1t6w s TRP 7 CO -0.00 -0.36 0.38 0.41 0.02 0.00 0.00 176.95 177.40 1t6w n GLY 8 N 3.77 2.46 3.06 0.98 0.00 -0.37 -5.01 105.19 110.09 1t6w n GLY 8 Ca -0.19 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 1t6w n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w s ALA 9 N -2.86 1.21 0.25 4.61 0.00 -1.26 0.23 121.76 123.94 1t6w s ALA 9 Ca 0.30 -0.50 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 1t6w s ALA 9 Cb -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 23.12 22.55 1t6w s ALA 9 CO 0.21 0.20 1.44 -0.11 0.00 0.00 0.00 175.76 177.50 1t6w n LEU 10 N 3.31 3.33 0.00 0.00 7.94 -0.51 -0.98 117.00 130.08 1t6w n LEU 10 Ca -0.19 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1t6w n LEU 10 Cb 0.53 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1t6w n LEU 10 CO 0.25 -0.38 0.00 0.61 -1.11 0.00 0.00 177.39 176.76 1t6w n GLY 11 N 2.16 1.70 3.85 -3.96 0.00 -0.03 -4.82 105.19 104.09 1t6w n GLY 11 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1t6w n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t6w s HIS 12 N -2.70 2.81 0.48 1.61 5.65 -0.16 -4.55 115.29 118.42 1t6w s HIS 12 Ca 0.00 -0.39 -0.08 0.00 0.25 0.00 0.00 55.06 54.84 1t6w s HIS 12 Cb 0.00 -1.94 0.12 0.00 -1.18 0.00 0.00 32.58 29.57 1t6w s HIS 12 CO 0.00 0.07 0.44 0.41 -0.65 0.00 0.00 174.74 175.00 1t6w n GLY 13 N -1.43 -2.50 0.00 1.59 0.00 -1.26 -1.42 105.19 100.16 1t6w n GLY 13 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1t6w n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t6w n ILE 14 N -3.39 0.00 -4.34 -0.61 0.13 -1.25 -4.69 119.36 105.21 1t6w n ILE 14 Ca 0.06 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.42 1t6w n ILE 14 Cb 0.23 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 38.87 1t6w n ILE 14 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1t6w s ASP 15 N 0.00 2.54 -0.41 9.51 -1.08 -1.26 -1.38 116.67 124.58 1t6w s ASP 15 Ca 0.00 -0.45 -0.29 0.00 -0.52 0.00 0.00 52.55 51.29 1t6w s ASP 15 Cb 0.00 -1.13 0.02 0.00 -1.46 0.00 0.00 42.92 40.35 1t6w s ASP 15 CO 0.00 -0.00 1.17 -0.76 0.52 0.00 0.00 175.17 176.09 1t6w s LEU 16 N 1.13 3.73 -0.20 -1.34 1.02 -0.66 -4.95 118.68 117.42 1t6w s LEU 16 Ca -0.03 0.73 -0.16 0.00 0.02 0.00 0.00 54.13 54.68 1t6w s LEU 16 Cb -0.14 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1t6w s LEU 16 CO -0.04 -1.16 0.43 -1.81 0.02 0.00 0.00 176.35 173.78 1t6w s ASP 17 N 2.44 6.46 -0.23 2.29 1.01 -1.26 -3.23 116.67 124.15 1t6w s ASP 17 Ca 0.49 0.55 -0.28 0.00 0.71 0.00 0.00 52.55 54.03 1t6w s ASP 17 Cb -0.10 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1t6w s ASP 17 CO 0.27 -0.10 0.97 -0.63 0.21 0.00 0.00 175.17 175.88 1t6w s ILE 18 N 1.40 4.73 0.23 0.77 1.01 -1.26 -4.27 121.20 123.81 1t6w s ILE 18 Ca 0.20 1.88 -0.32 0.00 0.00 0.00 0.00 60.65 62.41 1t6w s ILE 18 Cb -0.15 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 37.96 1t6w s ILE 18 CO 0.08 -0.14 1.70 -2.84 0.00 0.00 0.00 174.94 173.74 1t6w s PRO 19 N 3.07 4.12 -1.00 2.79 0.02 -1.26 -3.56 135.00 139.18 1t6w s PRO 19 Ca 0.41 2.62 -0.15 0.00 0.02 0.00 0.00 61.00 63.90 1t6w s PRO 19 Cb -0.15 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.33 1t6w s PRO 19 CO 0.06 -0.74 0.66 0.09 -0.33 0.00 0.00 177.00 176.75 1t6w n ASN 20 N 3.59 -4.88 -3.93 2.53 5.03 -1.26 -4.99 115.26 111.35 1t6w n ASN 20 Ca 0.14 -1.03 -0.10 0.00 0.87 0.00 0.00 54.58 54.46 1t6w n ASN 20 Cb 0.35 -2.16 -0.11 0.00 -1.02 0.00 0.00 39.78 36.85 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1t6w s PHE 21 N -3.24 0.15 -0.08 3.10 5.36 -1.23 -5.06 117.98 116.97 1t6w s PHE 21 Ca 0.24 -0.32 -0.03 0.00 -0.96 0.00 0.00 56.93 55.87 1t6w s PHE 21 Cb -0.12 -0.12 0.04 0.00 -0.34 0.00 0.00 43.02 42.48 1t6w s PHE 21 CO 0.91 -0.22 0.05 -0.65 -1.46 0.00 0.00 175.22 173.85 1t6w s GLN 22 N -1.34 0.12 -1.35 10.12 -0.21 -1.26 -5.01 119.66 120.74 1t6w s GLN 22 Ca -0.14 0.19 -0.16 0.00 0.02 0.00 0.00 55.36 55.26 1t6w s GLN 22 Cb -0.08 -0.96 0.07 0.00 1.00 0.00 0.00 33.01 33.04 1t6w s GLN 22 CO 0.00 -0.41 1.89 -0.12 -2.12 0.00 0.00 175.29 174.53 1t6w n MET 23 N 5.25 3.12 -2.32 2.91 0.00 -1.26 -4.70 117.12 120.11 1t6w n MET 23 Ca -0.05 -3.11 -0.08 0.00 -0.00 0.00 0.00 57.70 54.46 1t6w n MET 23 Cb 0.50 -3.37 -0.00 0.00 0.00 0.00 0.00 33.22 30.34 1t6w n MET 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1t6w n THR 24 N 5.69 0.00 0.13 1.12 -2.24 -1.26 -4.76 114.28 112.95 1t6w n THR 24 Ca 0.49 -0.69 0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1t6w n THR 24 Cb 0.43 -0.28 0.63 0.00 -2.10 0.00 0.00 70.33 69.02 1t6w n THR 24 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1t6w h ASP 25 N 0.23 0.06 0.12 3.42 3.04 -2.02 -0.03 116.42 121.25 1t6w h ASP 25 Ca -0.11 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.66 1t6w h ASP 25 Cb 0.40 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 38.67 1t6w h ASP 25 CO 0.18 0.04 -0.09 -0.78 -2.04 0.00 0.00 179.24 176.55 1t6w h ASP 26 N 0.06 0.00 -3.37 4.15 3.58 -1.94 -3.41 116.42 115.49 1t6w h ASP 26 Ca 0.12 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.99 1t6w h ASP 26 Cb 0.40 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.38 1t6w h ASP 26 CO -0.01 0.09 0.12 -0.63 -2.88 0.00 0.00 179.24 175.92 1t6w s ILE 27 N -4.68 5.03 -0.10 2.25 -1.09 -0.03 -2.81 121.20 119.78 1t6w s ILE 27 Ca -0.04 1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 59.70 1t6w s ILE 27 Cb 0.15 -4.00 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1t6w s ILE 27 CO 0.64 0.18 -0.09 -0.67 -1.23 0.00 0.00 174.94 173.76 1t6w n ASP 28 N 4.42 2.77 -3.98 3.58 2.03 -0.20 -4.77 116.55 120.40 1t6w n ASP 28 Ca -0.01 -0.02 -0.29 0.00 0.52 0.00 0.00 54.79 54.99 1t6w n ASP 28 Cb 0.50 -0.18 -0.16 0.00 -0.72 0.00 0.00 41.12 40.56 1t6w n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1t6w s GLU 29 N -2.19 2.01 -0.19 -0.67 2.12 -1.04 -1.94 118.70 116.80 1t6w s GLU 29 Ca -0.13 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.65 1t6w s GLU 29 Cb 0.04 -2.07 0.03 0.00 0.26 0.00 0.00 34.13 32.39 1t6w s GLU 29 CO 0.21 -0.30 -0.16 0.08 -0.54 0.00 0.00 175.26 174.54 1t6w s VAL 30 N 1.52 1.94 -0.07 3.70 1.01 -0.63 -0.03 120.40 127.85 1t6w s VAL 30 Ca 0.03 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1t6w s VAL 30 Cb -0.14 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1t6w s VAL 30 CO -0.09 0.39 -0.17 -0.13 0.00 0.00 0.00 175.10 175.09 1t6w s ARG 31 N 1.31 2.66 -0.70 2.72 0.52 -1.00 0.16 118.95 124.62 1t6w s ARG 31 Ca 0.02 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1t6w s ARG 31 Cb -0.15 -2.36 0.18 0.00 0.52 0.00 0.00 34.95 33.14 1t6w s ARG 31 CO -0.11 0.48 0.54 -1.58 0.02 0.00 0.00 175.30 174.65 1t6w s TRP 32 N -0.38 3.53 0.06 -0.53 0.52 0.09 -1.81 118.94 120.42 1t6w s TRP 32 Ca 0.04 -2.82 0.01 0.00 0.02 0.00 0.00 56.10 53.35 1t6w s TRP 32 Cb -0.12 -3.20 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 1t6w s TRP 32 CO 0.02 -0.80 0.18 -1.21 0.02 0.00 0.00 176.95 175.16 1t6w s GLU 33 N -0.46 3.33 -0.10 4.98 2.02 -0.34 -1.67 118.70 126.47 1t6w s GLU 33 Ca 0.20 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 1t6w s GLU 33 Cb -0.16 -2.98 0.05 0.00 0.10 0.00 0.00 34.13 31.14 1t6w s GLU 33 CO -0.06 0.60 0.13 0.50 0.02 0.00 0.00 175.26 176.45 1t6w s ARG 34 N -2.47 0.02 6.35 1.61 3.52 -0.83 -0.80 118.95 126.35 1t6w s ARG 34 Ca 0.34 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 1t6w s ARG 34 Cb -0.13 -0.65 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 1t6w s ARG 34 CO 0.27 -0.40 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 1t6w n GLY 35 N 5.31 2.95 2.25 8.12 0.00 -1.26 -1.52 105.19 121.03 1t6w n GLY 35 Ca -0.05 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1t6w n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t6w n SER 36 N 9.49 5.03 -3.70 1.61 2.88 -1.26 -5.03 113.62 122.64 1t6w n SER 36 Ca 0.00 -3.74 -0.10 0.00 -1.33 0.00 0.00 58.87 53.70 1t6w n SER 36 Cb 0.00 -0.44 -0.05 0.00 -0.75 0.00 0.00 64.21 62.97 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1t6w s THR 37 N -5.00 0.09 0.02 2.46 2.01 -0.57 -5.17 115.64 109.47 1t6w s THR 37 Ca 0.50 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 1t6w s THR 37 Cb 0.41 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1t6w s THR 37 CO -0.07 -0.39 0.11 -0.76 -0.69 0.00 0.00 174.62 172.83 1t6w s LEU 38 N -2.83 4.02 -0.01 4.42 1.43 -1.26 -1.96 118.68 122.49 1t6w s LEU 38 Ca 0.04 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1t6w s LEU 38 Cb 0.02 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1t6w s LEU 38 CO -0.11 0.24 -0.01 0.52 0.23 0.00 0.00 176.35 177.22 1t6w n VAL 39 N 0.91 0.07 -3.21 -1.59 0.31 -0.67 -4.60 118.33 109.56 1t6w n VAL 39 Ca -0.11 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.24 1t6w n VAL 39 Cb 0.52 -0.89 -0.03 0.00 -0.91 0.00 0.00 33.84 32.54 1t6w n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t6w s ALA 40 N -2.03 -3.32 0.14 3.52 0.00 -1.18 -1.53 121.76 117.37 1t6w s ALA 40 Ca -0.02 1.62 0.07 0.00 0.00 0.00 0.00 51.96 53.63 1t6w s ALA 40 Cb 0.01 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1t6w s ALA 40 CO 0.03 -1.25 -0.15 -1.83 0.00 0.00 0.00 175.76 172.56 1t6w s GLU 41 N 2.64 1.12 0.03 0.00 -1.05 -1.18 -0.73 118.70 119.53 1t6w s GLU 41 Ca -0.02 -1.34 0.07 0.00 -0.15 0.00 0.00 54.97 53.53 1t6w s GLU 41 Cb -0.07 -0.99 -0.02 0.00 -0.44 0.00 0.00 34.13 32.61 1t6w s GLU 41 CO -0.13 0.18 -0.21 0.12 0.95 0.00 0.00 175.26 176.18 1t6w s PHE 42 N -2.36 1.84 -0.20 4.83 2.19 0.43 -2.23 117.98 122.48 1t6w s PHE 42 Ca 0.13 -0.37 -0.04 0.00 0.33 0.00 0.00 56.93 56.98 1t6w s PHE 42 Cb -0.04 -1.11 0.09 0.00 -1.31 0.00 0.00 43.02 40.66 1t6w s PHE 42 CO 0.04 0.07 0.23 0.15 1.83 0.00 0.00 175.22 177.55 1t6w s LYS 43 N -1.07 0.19 0.13 10.12 1.02 -1.26 -1.61 119.74 127.26 1t6w s LYS 43 Ca 0.08 0.29 -0.32 0.00 0.02 0.00 0.00 55.97 56.03 1t6w s LYS 43 Cb -0.09 -1.02 -0.10 0.00 -0.52 0.00 0.00 37.83 36.10 1t6w s LYS 43 CO 0.01 -0.61 1.56 -0.09 -0.92 0.00 0.00 175.35 175.30 1t6w h ARG 44 N 8.30 -0.49 -1.96 1.68 9.65 -1.77 -0.75 114.38 129.04 1t6w h ARG 44 Ca -0.17 0.03 -0.21 0.00 -1.10 0.00 0.00 59.98 58.54 1t6w h ARG 44 Cb 1.15 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 29.76 1t6w h ARG 44 CO 0.26 -0.33 -0.10 1.17 2.80 0.00 0.00 179.97 183.78 1t6w n LYS 45 N -5.42 1.81 -3.12 0.20 4.81 -1.26 -4.82 118.16 110.36 1t6w n LYS 45 Ca -0.05 -1.03 0.00 0.00 -0.87 0.00 0.00 58.31 56.37 1t6w n LYS 45 Cb 0.37 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1t6w n MET 46 N 1.81 -1.49 -4.26 1.64 2.81 -0.29 -5.16 117.12 112.17 1t6w n MET 46 Ca 0.32 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.90 1t6w n MET 46 Cb 0.73 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.15 1t6w n MET 46 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1t6w s LYS 47 N -0.57 2.62 0.63 0.03 -0.14 -1.26 -4.58 119.74 116.47 1t6w s LYS 47 Ca 0.00 -0.74 -0.15 0.00 -1.36 0.00 0.00 55.97 53.73 1t6w s LYS 47 Cb 0.00 -2.57 -0.02 0.00 -1.68 0.00 0.00 37.83 33.56 1t6w s LYS 47 CO 0.00 0.58 1.07 -1.25 -0.76 0.00 0.00 175.35 174.99 1t6w s PRO 48 N -1.83 3.11 -0.36 -1.68 0.04 -1.26 -4.61 135.00 128.41 1t6w s PRO 48 Ca 0.21 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 1t6w s PRO 48 Cb -0.11 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.52 1t6w s PRO 48 CO 0.13 -0.98 0.11 0.12 0.04 0.00 0.00 177.00 176.42 1t6w s PHE 49 N -2.54 3.59 -0.33 0.56 5.36 -0.95 -4.98 117.98 118.70 1t6w s PHE 49 Ca 0.63 -2.53 -0.20 0.00 -0.96 0.00 0.00 56.93 53.88 1t6w s PHE 49 Cb -0.17 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 39.59 1t6w s PHE 49 CO 0.41 -0.94 0.60 -0.51 -1.46 0.00 0.00 175.22 173.33 1t6w s LEU 50 N 1.08 4.21 0.00 6.12 1.43 -1.26 -3.11 118.68 127.14 1t6w s LEU 50 Ca 0.06 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1t6w s LEU 50 Cb -0.21 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.26 1t6w s LEU 50 CO -0.05 -0.50 0.00 1.17 0.23 0.00 0.00 176.35 177.20 1t6w n LYS 51 N 5.88 0.00 -0.31 1.70 3.00 -0.58 -4.08 118.16 123.77 1t6w n LYS 51 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.37 1t6w n LYS 51 Cb 0.49 -0.46 0.18 0.00 0.00 0.00 0.00 35.03 35.24 1t6w n LYS 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1t6w n SER 52 N 0.00 2.58 0.00 3.14 7.64 -1.26 -4.95 113.62 120.77 1t6w n SER 52 Ca 0.00 -3.28 0.00 0.00 1.01 0.00 0.00 58.87 56.60 1t6w n SER 52 Cb 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1t6w n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t6w n GLY 53 N -1.16 0.69 0.26 0.23 0.00 -1.26 -4.83 105.19 99.12 1t6w n GLY 53 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1t6w n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w n ALA 54 N 1.00 2.55 -2.39 4.61 0.00 -1.26 -4.83 120.51 120.18 1t6w n ALA 54 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1t6w n ALA 54 Cb 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 1t6w n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1t6w s PHE 55 N -1.88 1.73 -0.05 0.00 0.08 -1.26 -1.16 117.98 115.42 1t6w s PHE 55 Ca 0.26 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 1t6w s PHE 55 Cb 0.13 -0.82 0.03 0.00 -0.57 0.00 0.00 43.02 41.79 1t6w s PHE 55 CO 0.20 0.34 0.04 -2.00 -0.10 0.00 0.00 175.22 173.71 1t6w s GLU 56 N -3.32 0.12 -0.73 0.44 2.12 0.23 -4.97 118.70 112.60 1t6w s GLU 56 Ca 0.20 0.28 -0.27 0.00 0.36 0.00 0.00 54.97 55.54 1t6w s GLU 56 Cb -0.03 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.69 1t6w s GLU 56 CO 0.07 -0.34 1.39 -1.50 -0.54 0.00 0.00 175.26 174.34 1t6w s ILE 57 N 2.11 3.66 0.72 -3.70 2.07 -1.26 -0.72 121.20 124.08 1t6w s ILE 57 Ca 0.05 0.34 -0.16 0.00 -1.41 0.00 0.00 60.65 59.47 1t6w s ILE 57 Cb -0.12 -4.74 -0.00 0.00 0.13 0.00 0.00 42.46 37.72 1t6w s ILE 57 CO -0.04 -1.69 0.89 0.18 -1.91 0.00 0.00 174.94 172.38 1t6w n LEU 58 N 9.99 3.05 0.33 8.50 4.32 0.47 -4.84 117.00 138.82 1t6w n LEU 58 Ca 0.07 0.66 0.22 0.00 -0.02 0.00 0.00 56.01 56.94 1t6w n LEU 58 Cb 0.50 -1.37 1.19 0.00 -1.62 0.00 0.00 43.42 42.11 1t6w n LEU 58 CO 0.71 -2.22 1.17 0.00 -1.22 0.00 0.00 177.39 175.83 1t6w h ALA 59 N -0.25 1.00 -0.81 -1.18 0.00 -1.94 -1.40 119.26 114.68 1t6w h ALA 59 Ca -0.47 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 53.99 1t6w h ALA 59 Cb 1.34 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.88 1t6w h ALA 59 CO 0.46 0.00 0.57 0.27 0.00 0.00 0.00 179.25 180.55 1t6w n ASN 60 N -3.05 4.32 -3.34 0.00 0.23 -1.26 -4.79 115.26 107.37 1t6w n ASN 60 Ca -0.03 -3.35 -0.24 0.00 -0.53 0.00 0.00 54.58 50.43 1t6w n ASN 60 Cb 0.08 -0.82 0.02 0.00 -2.08 0.00 0.00 39.78 36.97 1t6w n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t6w n GLY 61 N -0.77 -0.50 3.63 4.83 0.00 -0.53 -4.30 105.19 107.55 1t6w n GLY 61 Ca 0.49 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 1t6w n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6w s ASP 62 N -2.84 4.52 -0.24 1.61 1.01 -1.23 -4.84 116.67 114.66 1t6w s ASP 62 Ca 0.42 -0.59 -0.15 0.00 0.71 0.00 0.00 52.55 52.94 1t6w s ASP 62 Cb -0.21 -0.85 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 1t6w s ASP 62 CO 0.52 0.04 0.38 -0.22 0.21 0.00 0.00 175.17 176.10 1t6w s LEU 63 N -3.37 4.09 -0.39 1.23 2.96 -1.20 -0.40 118.68 121.61 1t6w s LEU 63 Ca 0.29 0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1t6w s LEU 63 Cb -0.07 -2.46 0.08 0.00 0.50 0.00 0.00 46.19 44.24 1t6w s LEU 63 CO 0.19 -0.13 0.18 -0.75 -1.32 0.00 0.00 176.35 174.52 1t6w s LYS 64 N 1.71 2.39 0.10 1.98 2.20 0.10 -1.65 119.74 126.58 1t6w s LYS 64 Ca 0.17 -1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 53.98 1t6w s LYS 64 Cb -0.15 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 1t6w s LYS 64 CO 0.09 -0.91 0.92 0.42 -0.36 0.00 0.00 175.35 175.51 1t6w s ILE 65 N 1.31 4.55 -0.10 5.43 1.01 -0.48 -0.60 121.20 132.31 1t6w s ILE 65 Ca 0.03 1.98 -0.27 0.00 0.00 0.00 0.00 60.65 62.38 1t6w s ILE 65 Cb -0.22 -4.28 -0.26 0.00 0.01 0.00 0.00 42.46 37.71 1t6w s ILE 65 CO -0.00 0.33 0.87 0.50 0.00 0.00 0.00 174.94 176.64 1t6w h LYS 66 N 5.60 0.06 -2.44 2.79 3.64 -1.45 -3.32 116.57 121.44 1t6w h LYS 66 Ca -0.43 -0.08 -0.24 0.00 -1.27 0.00 0.00 60.65 58.63 1t6w h LYS 66 Cb 1.21 0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 66 CO 0.72 0.96 -0.55 -0.80 -2.27 0.00 0.00 179.45 177.50 1t6w s ASN 67 N -6.26 0.74 0.55 4.20 -0.87 -1.26 -4.30 114.94 107.74 1t6w s ASN 67 Ca -0.18 0.16 -0.20 0.00 -1.57 0.00 0.00 52.86 51.08 1t6w s ASN 67 Cb -0.02 0.70 -0.07 0.00 -0.02 0.00 0.00 41.25 41.84 1t6w s ASN 67 CO 0.71 -0.29 0.84 0.18 -2.57 0.00 0.00 177.10 175.97 1t6w n LEU 68 N 5.34 2.57 -3.78 0.60 4.77 -0.51 -4.59 117.00 121.40 1t6w n LEU 68 Ca -0.05 0.84 -0.10 0.00 -0.03 0.00 0.00 56.01 56.67 1t6w n LEU 68 Cb 0.50 -1.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 1t6w n LEU 68 CO 0.06 -2.13 0.13 0.42 -1.33 0.00 0.00 177.39 174.53 1t6w s THR 69 N -1.52 0.06 0.14 -5.08 -4.23 -1.26 -0.85 115.64 102.90 1t6w s THR 69 Ca 0.71 -0.92 -0.26 0.00 -1.18 0.00 0.00 61.69 60.04 1t6w s THR 69 Cb -0.46 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.86 1t6w s THR 69 CO 0.51 -0.27 1.60 0.03 -0.54 0.00 0.00 174.62 175.96 1t6w h ARG 70 N 2.39 -0.37 -0.22 3.99 -0.00 -1.95 0.11 114.38 118.33 1t6w h ARG 70 Ca -0.31 0.03 0.06 0.00 -0.50 0.00 0.00 59.98 59.25 1t6w h ARG 70 Cb 1.25 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 31.29 1t6w h ARG 70 CO 0.45 -0.25 0.41 0.22 0.00 0.00 0.00 179.97 180.80 1t6w h ASP 71 N -0.39 0.00 1.18 7.04 3.58 -2.01 0.57 116.42 126.39 1t6w h ASP 71 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1t6w h ASP 71 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1t6w h ASP 71 CO -0.39 0.00 -0.21 0.47 -2.88 0.00 0.00 179.24 176.24 1t6w n ASP 72 N -3.29 0.65 -4.65 2.28 8.00 0.38 -4.77 116.55 115.15 1t6w n ASP 72 Ca 0.03 0.39 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 1t6w n ASP 72 Cb 0.53 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t6w s SER 73 N -4.14 6.91 0.00 -2.24 0.15 0.20 -4.82 113.70 109.76 1t6w s SER 73 Ca 0.10 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1t6w s SER 73 Cb 0.14 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1t6w s SER 73 CO 0.63 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1t6w n GLY 74 N 3.63 -0.51 3.22 9.45 0.00 -0.23 -5.01 105.19 115.74 1t6w n GLY 74 Ca 0.08 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1t6w n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 75 N -3.62 2.03 0.10 2.61 2.01 -1.26 0.25 115.64 117.75 1t6w s THR 75 Ca 0.00 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.03 1t6w s THR 75 Cb 0.00 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1t6w s THR 75 CO 0.00 0.55 0.07 -0.31 -0.69 0.00 0.00 174.62 174.25 1t6w s TYR 76 N 0.27 3.12 -0.07 4.92 1.51 0.33 -4.48 117.35 122.94 1t6w s TYR 76 Ca -0.16 0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1t6w s TYR 76 Cb -0.17 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.14 1t6w s TYR 76 CO 0.08 0.51 -0.02 -0.80 -1.11 0.00 0.00 175.55 174.21 1t6w s ASN 77 N -2.55 1.55 -0.14 2.29 0.01 0.02 -1.08 114.94 115.04 1t6w s ASN 77 Ca 0.29 -0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.27 1t6w s ASN 77 Cb -0.11 -0.50 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 1t6w s ASN 77 CO 0.21 -0.16 0.00 -0.69 -1.51 0.00 0.00 177.10 174.96 1t6w s VAL 78 N 1.74 4.29 -0.31 1.60 1.01 0.20 -1.20 120.40 127.72 1t6w s VAL 78 Ca 0.02 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1t6w s VAL 78 Cb -0.13 -2.87 0.09 0.00 0.00 0.00 0.00 36.38 33.47 1t6w s VAL 78 CO -0.05 0.52 -0.01 -0.89 0.00 0.00 0.00 175.10 174.68 1t6w s THR 79 N -0.08 2.21 -0.15 3.92 2.01 -0.75 -1.26 115.64 121.54 1t6w s THR 79 Ca 0.04 -2.07 -0.16 0.00 0.31 0.00 0.00 61.69 59.80 1t6w s THR 79 Cb -0.13 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1t6w s THR 79 CO 0.02 -0.40 0.40 -0.69 -0.69 0.00 0.00 174.62 173.26 1t6w s VAL 80 N 0.99 5.23 0.17 3.82 1.01 0.66 -2.37 120.40 129.92 1t6w s VAL 80 Ca 0.04 0.77 0.11 0.00 0.00 0.00 0.00 61.98 62.89 1t6w s VAL 80 Cb -0.19 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1t6w s VAL 80 CO -0.07 0.34 -0.23 -0.31 0.00 0.00 0.00 175.10 174.83 1t6w s TYR 81 N 0.68 2.16 0.77 5.22 2.02 0.96 0.91 117.35 130.08 1t6w s TYR 81 Ca 0.21 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 1t6w s TYR 81 Cb -0.14 -1.09 0.13 0.00 -0.40 0.00 0.00 41.96 40.46 1t6w s TYR 81 CO 0.07 0.43 1.07 -1.54 -1.57 0.00 0.00 175.55 174.01 1t6w s SER 82 N -2.54 4.13 0.45 2.29 1.04 -0.33 -1.03 113.70 117.70 1t6w s SER 82 Ca 0.18 -0.08 0.17 0.00 0.48 0.00 0.00 55.95 56.71 1t6w s SER 82 Cb -0.08 -0.27 1.06 0.00 0.10 0.00 0.00 66.02 66.83 1t6w s SER 82 CO 0.08 -2.02 1.98 0.71 0.98 0.00 0.00 173.24 174.97 1t6w h THR 83 N -0.80 1.01 0.00 2.02 1.35 -1.82 -1.47 112.91 113.19 1t6w h THR 83 Ca -0.40 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1t6w h THR 83 Cb 1.27 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1t6w h THR 83 CO 0.43 0.20 0.00 -3.20 -0.25 0.00 0.00 175.52 172.69 1t6w n ASN 84 N -4.11 0.00 0.00 5.36 2.85 -1.26 -4.87 115.26 113.23 1t6w n ASN 84 Ca -0.02 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 1t6w n ASN 84 Cb 0.27 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t6w n GLY 85 N 0.90 0.55 3.85 8.20 0.00 -0.55 -5.07 105.19 113.06 1t6w n GLY 85 Ca 0.14 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1t6w n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 86 N -2.00 3.39 0.13 2.61 2.01 -1.26 -4.88 115.64 115.64 1t6w s THR 86 Ca 0.00 -1.39 -0.30 0.00 0.31 0.00 0.00 61.69 60.31 1t6w s THR 86 Cb 0.00 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 1t6w s THR 86 CO 0.00 -0.15 1.06 -0.13 -0.69 0.00 0.00 174.62 174.71 1t6w s ARG 87 N -4.00 4.60 -0.01 4.92 3.00 -1.26 -1.18 118.95 125.01 1t6w s ARG 87 Ca 0.42 1.62 -0.03 0.00 0.00 0.00 0.00 55.73 57.74 1t6w s ARG 87 Cb -0.05 -3.33 -0.01 0.00 0.00 0.00 0.00 34.95 31.56 1t6w s ARG 87 CO 0.26 0.06 -0.05 -0.89 0.00 0.00 0.00 175.30 174.68 1t6w n ILE 88 N 2.85 0.45 -3.75 1.52 2.08 0.26 -4.82 119.36 117.95 1t6w n ILE 88 Ca 0.04 0.24 -0.15 0.00 0.56 0.00 0.00 62.75 63.44 1t6w n ILE 88 Cb 0.47 -1.45 -0.16 0.00 -0.75 0.00 0.00 39.64 37.76 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1t6w s LEU 89 N -5.80 0.85 -0.30 1.39 0.20 -0.98 -4.97 118.68 109.06 1t6w s LEU 89 Ca -0.04 0.13 0.01 0.00 0.69 0.00 0.00 54.13 54.91 1t6w s LEU 89 Cb 0.01 0.06 0.07 0.00 -0.43 0.00 0.00 46.19 45.89 1t6w s LEU 89 CO 0.06 -0.15 -0.01 0.21 -0.29 0.00 0.00 176.35 176.17 1t6w s ASN 90 N 1.25 4.74 0.25 3.68 3.04 -1.26 -0.24 114.94 126.40 1t6w s ASN 90 Ca -0.07 -1.55 0.11 0.00 0.04 0.00 0.00 52.86 51.38 1t6w s ASN 90 Cb -0.12 -1.65 -0.05 0.00 -1.54 0.00 0.00 41.25 37.89 1t6w s ASN 90 CO -0.04 -0.28 -0.16 -0.54 -3.04 0.00 0.00 177.10 173.04 1t6w s LYS 91 N 1.12 1.81 -0.04 0.43 -0.14 -0.39 -4.97 119.74 117.57 1t6w s LYS 91 Ca -0.02 -1.62 -0.01 0.00 -1.36 0.00 0.00 55.97 52.96 1t6w s LYS 91 Cb -0.20 -1.90 0.03 0.00 -1.68 0.00 0.00 37.83 34.09 1t6w s LYS 91 CO -0.04 0.36 0.06 0.00 -0.76 0.00 0.00 175.35 174.97 1t6w s ALA 92 N -2.26 0.08 0.24 5.17 0.00 -1.26 -0.63 121.76 123.09 1t6w s ALA 92 Ca 0.28 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.65 1t6w s ALA 92 Cb -0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1t6w s ALA 92 CO 0.15 -0.28 -0.12 -0.51 0.00 0.00 0.00 175.76 175.00 1t6w s LEU 93 N 1.56 2.54 -0.26 0.00 1.02 -0.24 -4.78 118.68 118.52 1t6w s LEU 93 Ca -0.03 -1.08 -0.05 0.00 0.02 0.00 0.00 54.13 52.99 1t6w s LEU 93 Cb -0.12 -0.72 0.00 0.00 0.02 0.00 0.00 46.19 45.36 1t6w s LEU 93 CO -0.04 -0.20 0.02 -1.81 0.02 0.00 0.00 176.35 174.35 1t6w s ASP 94 N -3.39 4.76 -0.45 2.29 1.11 -1.25 -0.52 116.67 119.23 1t6w s ASP 94 Ca 0.26 -0.60 -0.11 0.00 0.18 0.00 0.00 52.55 52.28 1t6w s ASP 94 Cb 0.00 -1.81 0.09 0.00 1.07 0.00 0.00 42.92 42.27 1t6w s ASP 94 CO 0.10 -0.12 0.32 -0.22 1.18 0.00 0.00 175.17 176.43 1t6w s LEU 95 N 1.47 5.42 -0.34 1.23 0.20 0.14 -0.29 118.68 126.51 1t6w s LEU 95 Ca 0.03 -1.56 -0.13 0.00 0.69 0.00 0.00 54.13 53.16 1t6w s LEU 95 Cb -0.16 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 1t6w s LEU 95 CO -0.00 -0.61 0.26 -0.13 -0.29 0.00 0.00 176.35 175.58 1t6w s ARG 96 N 1.47 3.50 -0.34 1.98 1.81 -0.34 -1.07 118.95 125.96 1t6w s ARG 96 Ca 0.04 -0.61 -0.09 0.00 -1.72 0.00 0.00 55.73 53.35 1t6w s ARG 96 Cb -0.24 -3.81 0.02 0.00 -0.45 0.00 0.00 34.95 30.47 1t6w s ARG 96 CO 0.03 -0.46 0.15 0.42 -0.68 0.00 0.00 175.30 174.75 1t6w s ILE 97 N 1.78 4.27 0.85 1.52 1.01 -1.26 -1.24 121.20 128.13 1t6w s ILE 97 Ca 0.07 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 1t6w s ILE 97 Cb -0.17 -3.33 0.10 0.00 0.01 0.00 0.00 42.46 39.07 1t6w s ILE 97 CO 0.11 -0.12 1.17 -0.76 0.00 0.00 0.00 174.94 175.34 1t6w s LEU 98 N 1.52 2.33 0.00 2.97 1.43 0.14 -4.74 118.68 122.32 1t6w s LEU 98 Ca 0.02 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1t6w s LEU 98 Cb -0.19 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1t6w s LEU 98 CO 0.05 -2.16 0.06 -0.62 0.23 0.00 0.00 176.35 173.91