#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w s ASP 2 N 0.00 4.43 -0.59 6.15 -4.77 -1.26 -4.88 116.67 115.75 1t6w s ASP 2 Ca 0.00 -1.32 -0.25 0.00 -3.30 0.00 0.00 52.55 47.68 1t6w s ASP 2 Cb 0.00 -2.59 0.04 0.00 -1.09 0.00 0.00 42.92 39.28 1t6w s ASP 2 CO 0.00 -3.69 1.03 -0.55 0.70 0.00 0.00 175.17 172.66 1t6w s SER 3 N 7.42 6.33 0.00 2.11 0.15 -1.26 -3.79 113.70 124.65 1t6w s SER 3 Ca 0.74 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1t6w s SER 3 Cb -0.03 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1t6w s SER 3 CO 0.14 -1.37 0.00 0.61 1.20 0.00 0.00 173.24 173.82 1t6w n GLY 4 N 5.15 -0.11 3.55 9.45 0.00 -1.26 -4.98 105.19 116.99 1t6w n GLY 4 Ca 0.03 -1.77 -0.46 0.00 0.00 0.00 0.00 46.02 43.82 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 1.92 -4.15 2.61 -1.04 -1.24 -3.67 114.28 108.72 1t6w n THR 5 Ca 0.00 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 1t6w n THR 5 Cb 0.00 -0.77 -0.11 0.00 -1.82 0.00 0.00 70.33 67.63 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 -0.99 0.75 -0.10 12.58 0.11 0.14 -4.87 120.40 128.02 1t6w s VAL 6 Ca 0.61 -1.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.08 1t6w s VAL 6 Cb -0.76 -1.29 0.01 0.00 -1.53 0.00 0.00 36.38 32.81 1t6w s VAL 6 CO 0.59 -0.63 -0.20 0.26 -3.33 0.00 0.00 175.10 171.79 1t6w s TRP 7 N -2.61 2.24 0.34 1.54 0.52 -1.26 -1.30 118.94 118.40 1t6w s TRP 7 Ca 0.04 -0.96 -0.01 0.00 0.02 0.00 0.00 56.10 55.19 1t6w s TRP 7 Cb -0.02 -1.54 -0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1t6w s TRP 7 CO -0.02 -0.43 0.44 0.20 0.02 0.00 0.00 176.95 177.17 1t6w s GLY 8 N 0.59 1.62 -0.05 0.98 0.00 -0.44 -5.00 107.32 105.03 1t6w s GLY 8 Ca -0.14 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.01 1t6w s GLY 8 CO 0.04 -1.08 -0.18 0.00 0.00 0.00 0.00 173.10 171.89 1t6w s ALA 9 N -3.12 1.60 0.18 3.20 0.00 -1.26 0.19 121.76 122.54 1t6w s ALA 9 Ca 0.32 -0.73 -0.33 0.00 0.00 0.00 0.00 51.96 51.22 1t6w s ALA 9 Cb 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 23.12 22.45 1t6w s ALA 9 CO 0.21 0.29 1.41 -0.11 0.00 0.00 0.00 175.76 177.56 1t6w n LEU 10 N 3.14 2.57 0.00 0.00 7.94 -0.55 -0.99 117.00 129.11 1t6w n LEU 10 Ca -0.18 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 1t6w n LEU 10 Cb 0.53 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 43.13 1t6w n LEU 10 CO 0.25 -0.67 0.00 0.61 -1.11 0.00 0.00 177.39 176.47 1t6w n GLY 11 N 2.58 1.54 3.92 -3.96 0.00 -0.17 -4.84 105.19 104.25 1t6w n GLY 11 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.33 2.75 0.79 1.61 5.65 -0.16 -4.53 115.29 119.07 1t6w s HIS 12 Ca 0.00 -0.46 -0.12 0.00 0.25 0.00 0.00 55.06 54.74 1t6w s HIS 12 Cb 0.00 -2.22 0.07 0.00 -1.18 0.00 0.00 32.58 29.25 1t6w s HIS 12 CO 0.00 -0.20 1.16 0.20 -0.65 0.00 0.00 174.74 175.25 1t6w s GLY 13 N -4.19 1.60 -0.30 1.59 0.00 -1.26 -1.31 107.32 103.45 1t6w s GLY 13 Ca 0.50 -0.57 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 1t6w s GLY 13 CO 0.29 -0.11 1.46 -1.50 0.00 0.00 0.00 173.10 173.25 1t6w s ILE 14 N -3.51 0.00 -0.07 0.90 1.10 -1.15 -4.81 121.20 113.65 1t6w s ILE 14 Ca 0.61 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.79 1t6w s ILE 14 Cb -0.11 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.50 1t6w s ILE 14 CO 0.50 0.00 -0.19 -0.62 -2.11 0.00 0.00 174.94 172.52 1t6w s ASP 15 N -0.01 2.47 -0.38 4.50 -1.08 -1.26 -1.17 116.67 119.74 1t6w s ASP 15 Ca 0.08 -0.43 -0.23 0.00 -0.52 0.00 0.00 52.55 51.45 1t6w s ASP 15 Cb -0.05 -1.01 0.01 0.00 -1.46 0.00 0.00 42.92 40.42 1t6w s ASP 15 CO -0.16 0.12 0.76 -0.76 0.52 0.00 0.00 175.17 175.66 1t6w s LEU 16 N 0.34 4.17 -0.22 -1.34 1.02 -0.65 -4.79 118.68 117.21 1t6w s LEU 16 Ca -0.13 0.24 -0.13 0.00 0.02 0.00 0.00 54.13 54.14 1t6w s LEU 16 Cb -0.16 -2.98 -0.05 0.00 0.02 0.00 0.00 46.19 43.03 1t6w s LEU 16 CO 0.05 -0.74 0.25 -1.81 0.02 0.00 0.00 176.35 174.12 1t6w s ASP 17 N 1.88 6.25 -0.24 2.29 1.01 -1.25 -2.90 116.67 123.72 1t6w s ASP 17 Ca 0.30 0.28 -0.28 0.00 0.71 0.00 0.00 52.55 53.56 1t6w s ASP 17 Cb -0.13 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.65 1t6w s ASP 17 CO 0.18 0.02 0.97 -0.63 0.21 0.00 0.00 175.17 175.92 1t6w s ILE 18 N 1.08 4.73 0.22 0.77 1.01 -1.26 -4.44 121.20 123.32 1t6w s ILE 18 Ca 0.12 1.88 -0.32 0.00 0.00 0.00 0.00 60.65 62.33 1t6w s ILE 18 Cb -0.14 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 37.97 1t6w s ILE 18 CO 0.05 -0.15 1.70 -2.84 0.00 0.00 0.00 174.94 173.70 1t6w s PRO 19 N 3.09 4.12 -1.00 2.79 0.02 -1.26 -3.57 135.00 139.19 1t6w s PRO 19 Ca 0.41 2.60 -0.15 0.00 0.02 0.00 0.00 61.00 63.88 1t6w s PRO 19 Cb -0.15 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1t6w s PRO 19 CO 0.07 -0.73 0.67 0.09 -0.33 0.00 0.00 177.00 176.76 1t6w n ASN 20 N 3.63 -4.92 -3.92 2.53 5.03 -1.26 -5.00 115.26 111.35 1t6w n ASN 20 Ca 0.14 -1.02 -0.10 0.00 0.87 0.00 0.00 54.58 54.47 1t6w n ASN 20 Cb 0.36 -2.21 -0.11 0.00 -1.02 0.00 0.00 39.78 36.79 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 0.14 -0.08 3.10 5.36 -1.23 -5.07 117.98 116.95 1t6w s PHE 21 Ca 0.24 -0.30 -0.02 0.00 -0.96 0.00 0.00 56.93 55.88 1t6w s PHE 21 Cb -0.12 -0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.49 1t6w s PHE 21 CO 0.91 -0.22 0.05 -0.65 -1.46 0.00 0.00 175.22 173.84 1t6w s GLN 22 N -1.33 0.15 -1.22 10.12 -0.21 -1.26 -5.01 119.66 120.89 1t6w s GLN 22 Ca -0.14 0.18 -0.19 0.00 0.02 0.00 0.00 55.36 55.23 1t6w s GLN 22 Cb -0.08 -0.97 0.07 0.00 1.00 0.00 0.00 33.01 33.03 1t6w s GLN 22 CO 0.00 -0.41 1.64 1.41 -2.12 0.00 0.00 175.29 175.82 1t6w s MET 23 N 2.10 3.90 0.23 2.91 1.75 -1.12 -4.76 119.30 124.32 1t6w s MET 23 Ca 0.04 -1.84 0.01 0.00 -1.25 0.00 0.00 55.69 52.65 1t6w s MET 23 Cb -0.13 -5.45 0.01 0.00 2.84 0.00 0.00 34.83 32.09 1t6w s MET 23 CO -0.05 -2.20 0.07 0.25 -0.65 0.00 0.00 175.02 172.44 1t6w n THR 24 N 6.36 0.00 0.06 10.11 -2.24 -1.26 -4.84 114.28 122.47 1t6w n THR 24 Ca 0.44 -1.02 0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1t6w n THR 24 Cb 0.47 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.44 0.10 0.06 3.42 2.03 -2.03 0.31 116.42 120.75 1t6w h ASP 25 Ca -0.17 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.12 1t6w h ASP 25 Cb 0.56 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1t6w h ASP 25 CO 0.28 0.06 -0.04 -2.24 -1.03 0.00 0.00 179.24 176.27 1t6w h ASP 26 N 0.11 0.00 -3.34 4.15 2.03 -1.95 -3.41 116.42 114.01 1t6w h ASP 26 Ca 0.18 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.93 1t6w h ASP 26 Cb 0.57 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.03 1t6w h ASP 26 CO -0.02 0.04 0.39 -0.63 -1.03 0.00 0.00 179.24 177.99 1t6w s ILE 27 N -4.79 4.87 -0.11 4.15 -1.09 0.10 -2.47 121.20 121.86 1t6w s ILE 27 Ca -0.05 1.91 -0.02 0.00 -2.23 0.00 0.00 60.65 60.26 1t6w s ILE 27 Cb 0.16 -4.25 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 1t6w s ILE 27 CO 0.63 0.11 -0.12 -0.67 -1.23 0.00 0.00 174.94 173.65 1t6w n ASP 28 N 4.40 2.18 -3.93 3.58 2.03 -0.06 -4.81 116.55 119.94 1t6w n ASP 28 Ca 0.06 0.03 -0.29 0.00 0.52 0.00 0.00 54.79 55.10 1t6w n ASP 28 Cb 0.50 -0.25 -0.16 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.22 1.69 -0.27 -0.67 2.12 -1.05 -0.10 118.70 118.20 1t6w s GLU 29 Ca -0.15 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.58 1t6w s GLU 29 Cb 0.05 -2.06 0.02 0.00 0.26 0.00 0.00 34.13 32.40 1t6w s GLU 29 CO 0.23 -0.39 -0.01 0.08 -0.54 0.00 0.00 175.26 174.63 1t6w s VAL 30 N 1.57 3.20 -0.12 3.70 1.01 -0.69 -0.76 120.40 128.31 1t6w s VAL 30 Ca 0.01 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 1t6w s VAL 30 Cb -0.15 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1t6w s VAL 30 CO -0.08 0.12 -0.11 -0.13 0.00 0.00 0.00 175.10 174.89 1t6w s ARG 31 N 1.36 3.26 -0.78 2.72 0.52 -1.02 0.92 118.95 125.94 1t6w s ARG 31 Ca 0.00 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.55 1t6w s ARG 31 Cb -0.17 -2.63 0.19 0.00 0.52 0.00 0.00 34.95 32.86 1t6w s ARG 31 CO -0.02 0.31 0.62 -1.58 0.02 0.00 0.00 175.30 174.65 1t6w s TRP 32 N 0.11 3.68 0.09 -0.53 0.52 0.81 -1.49 118.94 122.13 1t6w s TRP 32 Ca -0.05 -3.02 -0.00 0.00 0.02 0.00 0.00 56.10 53.05 1t6w s TRP 32 Cb -0.15 -3.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.02 1t6w s TRP 32 CO 0.04 -0.73 0.25 -1.21 0.02 0.00 0.00 176.95 175.33 1t6w s GLU 33 N -1.01 3.47 -0.11 4.98 2.02 -0.08 -1.61 118.70 126.36 1t6w s GLU 33 Ca 0.24 -0.40 -0.03 0.00 0.02 0.00 0.00 54.97 54.79 1t6w s GLU 33 Cb -0.11 -2.99 0.05 0.00 0.10 0.00 0.00 34.13 31.18 1t6w s GLU 33 CO -0.10 0.57 0.11 0.50 0.02 0.00 0.00 175.26 176.35 1t6w s ARG 34 N -2.67 0.02 6.83 1.61 3.52 -0.66 -0.12 118.95 127.48 1t6w s ARG 34 Ca 0.36 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1t6w s ARG 34 Cb -0.12 -0.91 0.00 0.00 -1.56 0.00 0.00 34.95 32.36 1t6w s ARG 34 CO 0.28 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 1t6w n GLY 35 N 5.30 3.46 2.23 8.12 0.00 -1.26 -1.51 105.19 121.53 1t6w n GLY 35 Ca -0.05 0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1t6w n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t6w n SER 36 N 9.17 5.53 -3.69 1.61 7.64 -1.26 -5.01 113.62 127.61 1t6w n SER 36 Ca 0.00 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 56.02 1t6w n SER 36 Cb 0.00 -0.52 -0.05 0.00 -1.01 0.00 0.00 64.21 62.62 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1t6w s THR 37 N -4.87 0.09 0.02 0.44 2.01 -0.57 -5.17 115.64 107.59 1t6w s THR 37 Ca 0.53 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1t6w s THR 37 Cb 0.43 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1t6w s THR 37 CO -0.05 -0.40 0.10 -0.76 -0.69 0.00 0.00 174.62 172.82 1t6w s LEU 38 N -2.82 3.93 -0.03 4.42 1.43 -1.26 -1.66 118.68 122.69 1t6w s LEU 38 Ca 0.03 0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1t6w s LEU 38 Cb 0.03 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1t6w s LEU 38 CO -0.12 0.24 -0.03 0.52 0.23 0.00 0.00 176.35 177.19 1t6w n VAL 39 N 0.92 0.16 -3.26 -1.59 0.31 -0.63 -4.62 118.33 109.62 1t6w n VAL 39 Ca -0.11 -0.05 0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1t6w n VAL 39 Cb 0.52 -0.86 -0.02 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.05 -2.70 -0.21 3.52 0.00 -1.15 -1.30 121.76 117.87 1t6w s ALA 40 Ca -0.04 1.81 0.02 0.00 0.00 0.00 0.00 51.96 53.75 1t6w s ALA 40 Cb 0.01 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1t6w s ALA 40 CO 0.06 -1.25 -0.16 -1.21 0.00 0.00 0.00 175.76 173.20 1t6w s GLU 41 N 2.82 2.64 0.10 0.00 2.02 -0.57 -0.13 118.70 125.58 1t6w s GLU 41 Ca 0.06 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 54.07 1t6w s GLU 41 Cb -0.11 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 1t6w s GLU 41 CO -0.17 -0.35 0.25 0.12 0.02 0.00 0.00 175.26 175.13 1t6w s PHE 42 N 1.24 3.50 -0.01 1.61 2.19 0.26 -0.49 117.98 126.29 1t6w s PHE 42 Ca -0.00 0.21 -0.04 0.00 0.33 0.00 0.00 56.93 57.43 1t6w s PHE 42 Cb -0.16 -1.73 -0.00 0.00 -1.31 0.00 0.00 43.02 39.82 1t6w s PHE 42 CO -0.10 0.55 0.07 0.21 1.83 0.00 0.00 175.22 177.78 1t6w s LYS 43 N -2.82 0.28 -0.74 10.12 2.20 -1.26 -1.70 119.74 125.82 1t6w s LYS 43 Ca 0.35 -0.24 -0.26 0.00 -0.36 0.00 0.00 55.97 55.46 1t6w s LYS 43 Cb -0.12 0.11 -0.13 0.00 -1.51 0.00 0.00 37.83 36.18 1t6w s LYS 43 CO 0.28 -0.05 2.42 -2.13 -0.36 0.00 0.00 175.35 175.50 1t6w n ARG 44 N 2.15 0.63 0.00 4.03 3.00 0.86 -3.26 116.66 124.07 1t6w n ARG 44 Ca -0.19 -0.69 0.00 0.00 -0.00 0.00 0.00 57.85 56.97 1t6w n ARG 44 Cb 0.57 -3.60 0.00 0.00 0.00 0.00 0.00 32.46 29.43 1t6w n ARG 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1t6w n LYS 45 N 8.78 0.00 -1.53 -0.14 4.81 -1.26 -4.97 118.16 123.84 1t6w n LYS 45 Ca 0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.50 1t6w n LYS 45 Cb 0.44 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.51 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 0.00 0.88 -1.69 1.64 2.81 -1.20 -4.83 117.12 114.72 1t6w n MET 46 Ca 0.00 0.32 -0.44 0.00 -1.81 0.00 0.00 57.70 55.77 1t6w n MET 46 Cb 0.00 -1.82 -0.04 0.00 -0.71 0.00 0.00 33.22 30.65 1t6w n MET 46 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1t6w n LYS 47 N 0.10 2.52 -0.38 0.03 4.76 -1.26 -4.12 118.16 119.81 1t6w n LYS 47 Ca 0.11 0.91 -0.03 0.00 -2.87 0.00 0.00 58.31 56.43 1t6w n LYS 47 Cb 0.42 -2.75 0.02 0.00 -1.84 0.00 0.00 35.03 30.88 1t6w n LYS 47 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1t6w n PRO 48 N 4.66 0.03 -3.69 1.97 -0.04 -1.26 -4.79 135.00 131.88 1t6w n PRO 48 Ca 0.18 -0.26 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 1t6w n PRO 48 Cb 0.33 -0.14 -0.16 0.00 -0.04 0.00 0.00 33.50 33.50 1t6w n PRO 48 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1t6w s PHE 49 N -1.03 1.07 -0.40 0.54 5.36 0.35 -4.96 117.98 118.92 1t6w s PHE 49 Ca 0.08 -1.13 -0.15 0.00 -0.96 0.00 0.00 56.93 54.77 1t6w s PHE 49 Cb -0.00 -1.22 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 1t6w s PHE 49 CO 0.06 -0.74 0.32 -0.51 -1.46 0.00 0.00 175.22 172.89 1t6w s LEU 50 N 1.84 4.94 0.31 6.12 1.43 -1.26 -1.51 118.68 130.56 1t6w s LEU 50 Ca 0.05 -0.75 0.08 0.00 -1.03 0.00 0.00 54.13 52.47 1t6w s LEU 50 Cb -0.17 -2.21 0.89 0.00 0.03 0.00 0.00 46.19 44.74 1t6w s LEU 50 CO -0.20 -0.43 1.65 0.50 0.23 0.00 0.00 176.35 178.10 1t6w h LYS 51 N 8.62 0.25 -1.33 1.70 3.64 -1.46 -3.45 116.57 124.54 1t6w h LYS 51 Ca -0.28 -0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.40 1t6w h LYS 51 Cb 1.13 -0.06 -0.16 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 51 CO 0.72 0.16 0.87 -1.54 -2.27 0.00 0.00 179.45 177.40 1t6w s SER 52 N -5.00 -0.07 0.16 4.20 1.04 -1.26 -4.99 113.70 107.78 1t6w s SER 52 Ca -0.11 -0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.35 1t6w s SER 52 Cb 0.28 0.11 0.45 0.00 0.10 0.00 0.00 66.02 66.96 1t6w s SER 52 CO 0.78 -0.19 1.16 0.61 0.98 0.00 0.00 173.24 176.58 1t6w n GLY 53 N -0.28 -0.55 0.00 7.32 0.00 -1.26 -1.33 105.19 109.09 1t6w n GLY 53 Ca -0.03 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.52 2.34 -2.38 4.61 0.00 -1.26 -4.76 120.51 117.55 1t6w n ALA 54 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1t6w n ALA 54 Cb 0.16 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.00 1.27 -0.21 0.00 0.08 -0.44 -1.38 117.98 115.30 1t6w s PHE 55 Ca 0.31 -0.67 -0.09 0.00 0.12 0.00 0.00 56.93 56.60 1t6w s PHE 55 Cb 0.14 -0.66 0.08 0.00 -0.57 0.00 0.00 43.02 42.02 1t6w s PHE 55 CO 0.24 0.09 0.48 -1.21 -0.10 0.00 0.00 175.22 174.72 1t6w s GLU 56 N -3.21 0.43 -0.66 0.44 2.02 -0.20 -4.91 118.70 112.62 1t6w s GLU 56 Ca 0.12 1.02 -0.25 0.00 0.02 0.00 0.00 54.97 55.88 1t6w s GLU 56 Cb -0.01 0.23 0.05 0.00 0.10 0.00 0.00 34.13 34.50 1t6w s GLU 56 CO 0.01 -0.20 1.10 -1.50 0.02 0.00 0.00 175.26 174.70 1t6w s ILE 57 N 2.05 4.08 1.10 -1.63 2.07 -1.26 -0.64 121.20 126.96 1t6w s ILE 57 Ca -0.06 0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 59.20 1t6w s ILE 57 Cb -0.10 -4.75 0.25 0.00 0.13 0.00 0.00 42.46 37.99 1t6w s ILE 57 CO -0.15 -1.54 1.06 -0.76 -1.91 0.00 0.00 174.94 171.64 1t6w s LEU 58 N 4.75 1.35 0.09 8.50 1.02 -0.75 -4.91 118.68 128.73 1t6w s LEU 58 Ca 0.30 1.67 -0.18 0.00 0.02 0.00 0.00 54.13 55.95 1t6w s LEU 58 Cb -0.12 -3.71 -0.07 0.00 0.02 0.00 0.00 46.19 42.31 1t6w s LEU 58 CO 0.15 -3.90 1.54 0.00 0.02 0.00 0.00 176.35 174.15 1t6w h ALA 59 N -2.42 0.37 -0.11 4.21 0.00 -1.95 -2.64 119.26 116.73 1t6w h ALA 59 Ca -0.57 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.15 1t6w h ALA 59 Cb 1.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t6w h ALA 59 CO 0.48 0.10 0.21 -2.95 0.00 0.00 0.00 179.25 177.10 1t6w h ASN 60 N 0.27 0.00 0.00 0.00 7.08 -1.92 -3.44 115.58 117.58 1t6w h ASN 60 Ca 0.08 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.30 1t6w h ASN 60 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.65 1t6w h ASN 60 CO 0.01 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.97 1t6w n GLY 61 N -1.29 1.49 3.53 9.14 0.00 -0.99 -2.79 105.19 114.28 1t6w n GLY 61 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 4.02 -0.18 1.61 1.01 -1.26 -4.78 116.67 115.09 1t6w s ASP 62 Ca 0.00 -0.67 -0.26 0.00 0.71 0.00 0.00 52.55 52.33 1t6w s ASP 62 Cb 0.00 -0.59 -0.01 0.00 1.01 0.00 0.00 42.92 43.33 1t6w s ASP 62 CO 0.00 0.11 0.88 -0.22 0.21 0.00 0.00 175.17 176.14 1t6w s LEU 63 N -2.80 4.16 -0.38 1.23 2.96 -1.14 -1.81 118.68 120.89 1t6w s LEU 63 Ca 0.24 1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 55.26 1t6w s LEU 63 Cb -0.08 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.34 1t6w s LEU 63 CO 0.14 -0.45 0.21 -0.75 -1.32 0.00 0.00 176.35 174.18 1t6w s LYS 64 N 2.35 2.80 -0.17 1.98 2.20 0.19 -1.63 119.74 127.46 1t6w s LYS 64 Ca 0.40 -1.11 -0.17 0.00 -0.36 0.00 0.00 55.97 54.73 1t6w s LYS 64 Cb -0.16 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.37 1t6w s LYS 64 CO 0.12 -0.72 0.43 0.42 -0.36 0.00 0.00 175.35 175.24 1t6w s ILE 65 N 1.55 5.19 -0.02 5.43 1.01 -0.32 -1.03 121.20 133.02 1t6w s ILE 65 Ca 0.02 0.81 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1t6w s ILE 65 Cb -0.19 -3.77 -0.28 0.00 0.01 0.00 0.00 42.46 38.24 1t6w s ILE 65 CO 0.07 0.28 0.76 0.50 0.00 0.00 0.00 174.94 176.55 1t6w h LYS 66 N 7.07 0.25 -2.33 2.79 3.64 -1.52 -3.05 116.57 123.43 1t6w h LYS 66 Ca -0.38 -0.43 -0.26 0.00 -1.27 0.00 0.00 60.65 58.31 1t6w h LYS 66 Cb 1.17 0.16 -0.34 0.00 -0.41 0.00 0.00 32.23 32.81 1t6w h LYS 66 CO 0.74 1.10 -0.58 1.21 -2.27 0.00 0.00 179.45 179.65 1t6w s ASN 67 N -6.95 0.99 0.48 4.20 2.47 -1.26 -4.24 114.94 110.63 1t6w s ASN 67 Ca -0.11 -0.06 -0.23 0.00 0.42 0.00 0.00 52.86 52.88 1t6w s ASN 67 Cb 0.07 0.63 -0.08 0.00 -1.45 0.00 0.00 41.25 40.41 1t6w s ASN 67 CO 0.84 -0.32 1.20 0.18 -3.72 0.00 0.00 177.10 175.29 1t6w n LEU 68 N 5.33 4.13 -3.88 3.21 4.77 -0.43 -4.66 117.00 125.48 1t6w n LEU 68 Ca -0.05 1.01 -0.09 0.00 -0.03 0.00 0.00 56.01 56.85 1t6w n LEU 68 Cb 0.50 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 1t6w n LEU 68 CO 0.07 -0.97 0.03 0.42 -1.33 0.00 0.00 177.39 175.62 1t6w s THR 69 N -1.29 0.07 0.14 -5.08 -4.23 -1.26 -1.00 115.64 102.99 1t6w s THR 69 Ca 0.66 -1.19 -0.26 0.00 -1.18 0.00 0.00 61.69 59.72 1t6w s THR 69 Cb -0.48 -1.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 1t6w s THR 69 CO 0.54 -0.33 1.60 0.03 -0.54 0.00 0.00 174.62 175.91 1t6w h ARG 70 N 2.51 -0.40 -0.21 3.99 -0.00 -1.95 0.12 114.38 118.44 1t6w h ARG 70 Ca -0.32 0.03 0.06 0.00 -0.50 0.00 0.00 59.98 59.25 1t6w h ARG 70 Cb 1.23 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 31.28 1t6w h ARG 70 CO 0.48 -0.26 0.40 0.22 0.00 0.00 0.00 179.97 180.81 1t6w h ASP 71 N -0.41 0.00 1.37 7.04 3.58 -2.01 0.57 116.42 126.56 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 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1t6w h ASP 71 CO -0.38 0.00 0.00 -0.67 -2.88 0.00 0.00 179.24 175.31 1t6w n ASP 72 N -3.31 0.68 -4.68 2.28 -0.08 0.41 -4.77 116.55 107.08 1t6w n ASP 72 Ca 0.03 0.57 -0.42 0.00 -1.51 0.00 0.00 54.79 53.45 1t6w n ASP 72 Cb 0.52 -0.75 -0.03 0.00 2.34 0.00 0.00 41.12 43.20 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1t6w s SER 73 N -4.28 7.16 0.00 1.67 0.15 0.20 -4.85 113.70 113.76 1t6w s SER 73 Ca 0.11 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1t6w s SER 73 Cb 0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1t6w s SER 73 CO 0.58 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1t6w n GLY 74 N 3.19 0.04 3.73 9.45 0.00 -0.47 -5.00 105.19 116.12 1t6w n GLY 74 Ca 0.08 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.63 5.21 0.06 2.61 2.01 -1.26 -0.90 115.64 120.74 1t6w s THR 75 Ca 0.00 0.85 0.03 0.00 0.31 0.00 0.00 61.69 62.88 1t6w s THR 75 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1t6w s THR 75 CO 0.00 0.35 0.05 -0.31 -0.69 0.00 0.00 174.62 174.02 1t6w s TYR 76 N 0.53 3.15 -0.06 4.92 1.51 0.10 -4.29 117.35 123.22 1t6w s TYR 76 Ca 0.24 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.38 1t6w s TYR 76 Cb -0.15 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1t6w s TYR 76 CO 0.09 0.51 -0.06 -0.80 -1.11 0.00 0.00 175.55 174.18 1t6w s ASN 77 N -2.17 1.41 -0.14 2.29 0.01 0.84 -0.51 114.94 116.66 1t6w s ASN 77 Ca 0.26 -0.19 -0.03 0.00 -0.71 0.00 0.00 52.86 52.20 1t6w s ASN 77 Cb -0.12 -0.60 -0.03 0.00 0.41 0.00 0.00 41.25 40.92 1t6w s ASN 77 CO 0.19 -0.06 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.98 1t6w s VAL 78 N 1.09 3.78 -0.40 1.60 1.01 0.74 -0.91 120.40 127.32 1t6w s VAL 78 Ca -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1t6w s VAL 78 Cb -0.14 -2.64 0.11 0.00 0.00 0.00 0.00 36.38 33.71 1t6w s VAL 78 CO -0.01 0.51 0.15 -0.89 0.00 0.00 0.00 175.10 174.86 1t6w s THR 79 N 0.22 2.76 -0.21 3.92 2.01 -0.56 -1.20 115.64 122.58 1t6w s THR 79 Ca -0.03 -2.36 -0.18 0.00 0.31 0.00 0.00 61.69 59.43 1t6w s THR 79 Cb -0.14 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1t6w s THR 79 CO 0.03 -0.67 0.51 -0.69 -0.69 0.00 0.00 174.62 173.11 1t6w s VAL 80 N 0.83 5.10 0.15 3.82 1.01 0.34 -2.43 120.40 129.23 1t6w s VAL 80 Ca 0.11 0.92 0.10 0.00 0.00 0.00 0.00 61.98 63.10 1t6w s VAL 80 Cb -0.21 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1t6w s VAL 80 CO -0.06 0.16 -0.18 -0.31 0.00 0.00 0.00 175.10 174.71 1t6w s TYR 81 N 1.77 2.48 0.68 5.22 2.02 0.06 0.57 117.35 130.15 1t6w s TYR 81 Ca 0.23 -0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1t6w s TYR 81 Cb -0.15 -1.27 0.09 0.00 -0.40 0.00 0.00 41.96 40.23 1t6w s TYR 81 CO 0.09 0.44 0.96 -1.54 -1.57 0.00 0.00 175.55 173.93 1t6w s SER 82 N -2.43 4.64 0.61 2.29 1.04 0.28 -0.88 113.70 119.25 1t6w s SER 82 Ca 0.20 -0.03 0.31 0.00 0.48 0.00 0.00 55.95 56.91 1t6w s SER 82 Cb -0.09 -0.54 1.79 0.00 0.10 0.00 0.00 66.02 67.27 1t6w s SER 82 CO 0.11 -1.65 2.14 0.71 0.98 0.00 0.00 173.24 175.53 1t6w h THR 83 N -0.45 0.37 -0.72 2.02 1.35 -1.79 0.21 112.91 113.91 1t6w h THR 83 Ca -0.40 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.14 1t6w h THR 83 Cb 1.28 0.87 -0.19 0.00 -1.73 0.00 0.00 68.15 68.39 1t6w h THR 83 CO 0.48 0.00 0.40 0.59 -0.25 0.00 0.00 175.52 176.74 1t6w n ASN 84 N -3.63 3.91 -1.94 5.36 4.13 -1.26 -4.87 115.26 116.95 1t6w n ASN 84 Ca -0.00 -3.16 -0.14 0.00 1.68 0.00 0.00 54.58 52.96 1t6w n ASN 84 Cb 0.26 -0.74 -0.03 0.00 -1.54 0.00 0.00 39.78 37.72 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1t6w n GLY 85 N -0.49 0.42 3.86 7.41 0.00 0.06 -4.94 105.19 111.51 1t6w n GLY 85 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.48 5.02 -0.43 2.61 2.01 -1.25 -4.82 115.64 116.31 1t6w s THR 86 Ca 0.00 0.61 -0.28 0.00 0.31 0.00 0.00 61.69 62.33 1t6w s THR 86 Cb 0.00 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1t6w s THR 86 CO 0.00 0.32 1.75 -0.13 -0.69 0.00 0.00 174.62 175.87 1t6w s ARG 87 N -1.79 3.18 -0.00 4.92 0.52 -1.26 -0.56 118.95 123.96 1t6w s ARG 87 Ca 0.33 1.10 -0.00 0.00 -0.52 0.00 0.00 55.73 56.64 1t6w s ARG 87 Cb -0.15 -4.22 -0.00 0.00 0.52 0.00 0.00 34.95 31.10 1t6w s ARG 87 CO 0.18 -2.05 -0.00 0.82 0.02 0.00 0.00 175.30 174.26 1t6w h ILE 88 N 6.77 0.00 -3.39 1.52 2.04 -0.20 -3.48 117.51 120.78 1t6w h ILE 88 Ca -0.30 -0.01 -0.27 0.00 1.00 0.00 0.00 64.86 65.27 1t6w h ILE 88 Cb 1.16 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 36.90 1t6w h ILE 88 CO 1.10 0.00 -0.67 -0.22 0.00 0.00 0.00 178.15 178.36 1t6w s LEU 89 N -4.09 0.88 -0.31 1.44 0.20 -0.90 -4.99 118.68 110.90 1t6w s LEU 89 Ca -0.00 0.17 -0.00 0.00 0.69 0.00 0.00 54.13 54.98 1t6w s LEU 89 Cb 0.00 0.13 0.07 0.00 -0.43 0.00 0.00 46.19 45.96 1t6w s LEU 89 CO 0.00 -0.14 0.01 0.21 -0.29 0.00 0.00 176.35 176.14 1t6w s ASN 90 N 1.15 4.84 0.26 3.68 3.04 -1.26 -0.50 114.94 126.14 1t6w s ASN 90 Ca -0.09 -1.52 0.11 0.00 0.04 0.00 0.00 52.86 51.40 1t6w s ASN 90 Cb -0.12 -1.68 -0.05 0.00 -1.54 0.00 0.00 41.25 37.86 1t6w s ASN 90 CO -0.04 -0.30 -0.15 -0.54 -3.04 0.00 0.00 177.10 173.02 1t6w s LYS 91 N 1.16 1.84 -0.05 0.43 -0.14 -0.34 -4.96 119.74 117.68 1t6w s LYS 91 Ca -0.02 -1.61 -0.01 0.00 -1.36 0.00 0.00 55.97 52.97 1t6w s LYS 91 Cb -0.20 -1.91 0.03 0.00 -1.68 0.00 0.00 37.83 34.07 1t6w s LYS 91 CO -0.03 0.36 0.03 0.00 -0.76 0.00 0.00 175.35 174.94 1t6w s ALA 92 N -2.28 0.38 0.31 5.17 0.00 -1.26 -0.18 121.76 123.90 1t6w s ALA 92 Ca 0.29 0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.44 1t6w s ALA 92 Cb -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 1t6w s ALA 92 CO 0.15 -0.38 -0.13 -0.51 0.00 0.00 0.00 175.76 174.89 1t6w s LEU 93 N 1.84 2.66 -0.10 0.00 1.02 0.33 -4.84 118.68 119.59 1t6w s LEU 93 Ca 0.02 -1.13 -0.01 0.00 0.02 0.00 0.00 54.13 53.03 1t6w s LEU 93 Cb -0.12 -1.00 -0.03 0.00 0.02 0.00 0.00 46.19 45.06 1t6w s LEU 93 CO -0.03 -0.12 -0.06 -1.81 0.02 0.00 0.00 176.35 174.34 1t6w s ASP 94 N -3.55 4.71 -0.30 2.29 1.11 -1.24 0.01 116.67 119.69 1t6w s ASP 94 Ca 0.31 -0.05 -0.01 0.00 0.18 0.00 0.00 52.55 52.98 1t6w s ASP 94 Cb -0.00 -1.38 0.10 0.00 1.07 0.00 0.00 42.92 42.70 1t6w s ASP 94 CO 0.15 0.30 0.09 -0.22 1.18 0.00 0.00 175.17 176.68 1t6w s LEU 95 N -0.45 2.22 -0.21 1.23 0.20 -0.08 0.23 118.68 121.83 1t6w s LEU 95 Ca 0.07 -1.59 -0.17 0.00 0.69 0.00 0.00 54.13 53.12 1t6w s LEU 95 Cb -0.12 -0.87 -0.03 0.00 -0.43 0.00 0.00 46.19 44.74 1t6w s LEU 95 CO 0.02 -0.40 0.47 -0.13 -0.29 0.00 0.00 176.35 176.02 1t6w s ARG 96 N 1.62 4.17 -0.43 1.98 1.81 -0.42 -1.37 118.95 126.30 1t6w s ARG 96 Ca 0.09 0.32 -0.09 0.00 -1.72 0.00 0.00 55.73 54.32 1t6w s ARG 96 Cb -0.17 -3.56 0.09 0.00 -0.45 0.00 0.00 34.95 30.85 1t6w s ARG 96 CO -0.24 -0.13 0.28 0.42 -0.68 0.00 0.00 175.30 174.95 1t6w s ILE 97 N 1.60 4.26 -0.06 1.52 -1.09 -1.26 -1.33 121.20 124.84 1t6w s ILE 97 Ca 0.22 -1.48 -0.30 0.00 -2.23 0.00 0.00 60.65 56.86 1t6w s ILE 97 Cb -0.15 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 1t6w s ILE 97 CO 0.09 -0.57 1.62 -0.76 -1.23 0.00 0.00 174.94 174.08 1t6w s LEU 98 N 1.42 4.31 0.00 2.97 1.43 0.13 -4.72 118.68 124.22 1t6w s LEU 98 Ca 0.04 2.19 0.27 0.00 -1.03 0.00 0.00 54.13 55.60 1t6w s LEU 98 Cb -0.24 -3.53 1.61 0.00 0.03 0.00 0.00 46.19 44.05 1t6w s LEU 98 CO 0.02 -0.91 1.95 -0.62 0.23 0.00 0.00 176.35 177.02