#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 6.12 0.00 6.15 -1.08 -1.26 -5.02 116.67 121.58 1t6w s ASP 2 Ca 0.00 2.07 0.00 0.00 -0.52 0.00 0.00 52.55 54.10 1t6w s ASP 2 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1t6w s ASP 2 CO 0.00 -0.94 0.04 -1.54 0.52 0.00 0.00 175.17 173.25 1t6w n SER 3 N -0.98 0.00 -3.44 -0.34 3.41 -1.26 -5.06 113.62 105.95 1t6w n SER 3 Ca 0.10 0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1t6w n SER 3 Cb 0.51 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1t6w n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1t6w s GLY 4 N -1.29 -0.60 0.03 5.00 0.00 -1.24 -5.02 107.32 104.19 1t6w s GLY 4 Ca 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 1t6w s GLY 4 CO 0.00 0.27 0.06 -1.59 0.00 0.00 0.00 173.10 171.84 1t6w s THR 5 N -3.40 0.12 -0.01 0.90 2.01 -1.26 0.07 115.64 114.06 1t6w s THR 5 Ca -0.00 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 1t6w s THR 5 Cb -0.01 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.85 1t6w s THR 5 CO -0.10 -0.55 0.08 0.54 -0.69 0.00 0.00 174.62 173.90 1t6w s VAL 6 N -2.09 0.05 -0.12 3.82 0.11 0.15 -4.85 120.40 117.46 1t6w s VAL 6 Ca -0.10 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1t6w s VAL 6 Cb -0.04 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1t6w s VAL 6 CO -0.02 -0.24 -0.15 0.26 -3.33 0.00 0.00 175.10 171.62 1t6w s TRP 7 N -0.76 2.77 0.35 1.54 0.52 -1.26 -1.23 118.94 120.87 1t6w s TRP 7 Ca -0.08 -0.71 -0.01 0.00 0.02 0.00 0.00 56.10 55.32 1t6w s TRP 7 Cb -0.05 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.46 1t6w s TRP 7 CO 0.00 -0.24 0.46 0.41 0.02 0.00 0.00 176.95 177.60 1t6w n GLY 8 N 3.51 2.20 3.04 0.98 0.00 -0.37 -5.00 105.19 109.55 1t6w n GLY 8 Ca -0.18 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.85 1.13 0.25 4.61 0.00 -1.26 0.04 121.76 123.68 1t6w s ALA 9 Ca 0.30 -0.44 -0.31 0.00 0.00 0.00 0.00 51.96 51.51 1t6w s ALA 9 Cb -0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 23.12 22.56 1t6w s ALA 9 CO 0.22 0.17 1.33 -0.11 0.00 0.00 0.00 175.76 177.36 1t6w n LEU 10 N 3.36 2.84 0.00 0.00 7.94 -0.57 -0.98 117.00 129.60 1t6w n LEU 10 Ca -0.19 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 1t6w n LEU 10 Cb 0.53 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1t6w n LEU 10 CO 0.25 -0.67 0.00 0.61 -1.11 0.00 0.00 177.39 176.46 1t6w n GLY 11 N 1.87 1.83 3.84 -3.96 0.00 -0.21 -4.81 105.19 103.74 1t6w n GLY 11 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.74 2.78 0.21 1.61 5.65 -0.15 -4.50 115.29 118.16 1t6w s HIS 12 Ca 0.00 -0.41 -0.04 0.00 0.25 0.00 0.00 55.06 54.87 1t6w s HIS 12 Cb 0.00 -1.94 0.05 0.00 -1.18 0.00 0.00 32.58 29.51 1t6w s HIS 12 CO 0.00 0.08 0.20 0.41 -0.65 0.00 0.00 174.74 174.78 1t6w n GLY 13 N -1.41 -2.37 0.00 1.59 0.00 -1.26 -1.20 105.19 100.54 1t6w n GLY 13 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.87 0.00 -5.21 -0.61 0.13 -1.23 -4.68 119.36 104.89 1t6w n ILE 14 Ca 0.03 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.36 1t6w n ILE 14 Cb 0.10 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.74 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 3.18 -0.52 9.51 2.15 -1.26 -1.49 116.67 128.24 1t6w s ASP 15 Ca 0.00 -0.50 -0.20 0.00 0.43 0.00 0.00 52.55 52.28 1t6w s ASP 15 Cb 0.00 -1.02 0.06 0.00 -0.30 0.00 0.00 42.92 41.66 1t6w s ASP 15 CO 0.00 0.23 0.71 -0.76 -0.17 0.00 0.00 175.17 175.18 1t6w s LEU 16 N -0.05 4.76 -0.22 -1.34 1.02 -0.74 -4.97 118.68 117.14 1t6w s LEU 16 Ca -0.07 -0.79 -0.21 0.00 0.02 0.00 0.00 54.13 53.08 1t6w s LEU 16 Cb -0.15 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.51 1t6w s LEU 16 CO 0.05 -0.99 0.67 -1.81 0.02 0.00 0.00 176.35 174.29 1t6w s ASP 17 N 2.78 6.69 -0.24 2.29 1.01 -1.26 -3.49 116.67 124.45 1t6w s ASP 17 Ca 0.19 0.85 -0.28 0.00 0.71 0.00 0.00 52.55 54.01 1t6w s ASP 17 Cb -0.18 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1t6w s ASP 17 CO 0.13 -0.34 1.02 -0.63 0.21 0.00 0.00 175.17 175.57 1t6w s ILE 18 N 2.20 4.67 0.23 0.77 1.01 -1.26 -5.00 121.20 123.83 1t6w s ILE 18 Ca 0.29 1.93 -0.31 0.00 0.00 0.00 0.00 60.65 62.56 1t6w s ILE 18 Cb -0.16 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 1t6w s ILE 18 CO 0.10 -0.21 1.67 -2.84 0.00 0.00 0.00 174.94 173.65 1t6w s PRO 19 N 3.22 4.13 -0.99 2.79 0.02 -1.26 -3.61 135.00 139.31 1t6w s PRO 19 Ca 0.43 2.58 -0.14 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 0.08 -0.70 0.66 0.09 -0.33 0.00 0.00 177.00 176.80 1t6w n ASN 20 N 3.37 -4.92 -3.91 2.53 5.03 -1.26 -4.99 115.26 111.10 1t6w n ASN 20 Ca 0.13 -1.02 -0.10 0.00 0.87 0.00 0.00 54.58 54.46 1t6w n ASN 20 Cb 0.36 -2.19 -0.11 0.00 -1.02 0.00 0.00 39.78 36.83 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 -3.23 0.12 -0.11 3.10 5.36 -1.24 -5.04 117.98 116.94 1t6w s PHE 21 Ca 0.23 -0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 55.90 1t6w s PHE 21 Cb -0.11 -0.10 0.05 0.00 -0.34 0.00 0.00 43.02 42.52 1t6w s PHE 21 CO 0.91 -0.23 0.15 -0.65 -1.46 0.00 0.00 175.22 173.93 1t6w s GLN 22 N -1.32 0.05 -1.30 10.12 -0.21 -1.26 -5.02 119.66 120.72 1t6w s GLN 22 Ca -0.14 0.39 -0.18 0.00 0.02 0.00 0.00 55.36 55.45 1t6w s GLN 22 Cb -0.08 -0.68 0.05 0.00 1.00 0.00 0.00 33.01 33.30 1t6w s GLN 22 CO 0.00 -0.42 1.81 -0.12 -2.12 0.00 0.00 175.29 174.45 1t6w n MET 23 N 5.31 3.01 -2.18 2.91 0.00 -1.26 -4.78 117.12 120.14 1t6w n MET 23 Ca -0.05 -3.13 -0.09 0.00 -0.00 0.00 0.00 57.70 54.44 1t6w n MET 23 Cb 0.50 -3.49 0.01 0.00 0.00 0.00 0.00 33.22 30.23 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 6.37 0.00 -0.09 1.12 -2.24 -1.26 -4.86 114.28 113.32 1t6w n THR 24 Ca 0.49 -0.76 0.07 0.00 -2.27 0.00 0.00 64.05 61.57 1t6w n THR 24 Cb 0.45 -0.46 0.41 0.00 -2.10 0.00 0.00 70.33 68.64 1t6w n THR 24 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1t6w h ASP 25 N 0.19 0.53 -0.01 3.42 5.19 -2.04 -0.24 116.42 123.46 1t6w h ASP 25 Ca -0.12 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1t6w h ASP 25 Cb 0.45 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1t6w h ASP 25 CO 0.18 0.36 0.01 0.44 -3.12 0.00 0.00 179.24 177.11 1t6w h ASP 26 N 0.61 0.00 -3.33 6.45 3.32 -1.94 -3.41 116.42 118.12 1t6w h ASP 26 Ca 0.24 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.75 1t6w h ASP 26 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1t6w h ASP 26 CO -0.07 0.00 0.45 -0.63 -1.72 0.00 0.00 179.24 177.28 1t6w s ILE 27 N -4.59 4.66 -0.13 0.35 -1.09 -0.10 -1.84 121.20 118.46 1t6w s ILE 27 Ca -0.05 1.91 -0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1t6w s ILE 27 Cb 0.15 -4.23 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1t6w s ILE 27 CO 0.53 0.12 -0.14 -0.67 -1.23 0.00 0.00 174.94 173.56 1t6w n ASP 28 N 4.14 1.96 -3.76 3.58 2.03 -0.14 -4.77 116.55 119.58 1t6w n ASP 28 Ca 0.07 0.05 -0.24 0.00 0.52 0.00 0.00 54.79 55.19 1t6w n ASP 28 Cb 0.49 -0.29 -0.17 0.00 -0.72 0.00 0.00 41.12 40.43 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 -2.24 0.62 -0.28 -0.67 2.12 -1.05 0.02 118.70 117.21 1t6w s GLU 29 Ca -0.17 0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.12 1t6w s GLU 29 Cb 0.06 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.28 1t6w s GLU 29 CO 0.25 -0.36 0.04 0.08 -0.54 0.00 0.00 175.26 174.73 1t6w s VAL 30 N 1.95 3.69 -0.11 3.70 1.01 -0.52 -0.31 120.40 129.81 1t6w s VAL 30 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1t6w s VAL 30 Cb -0.13 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1t6w s VAL 30 CO -0.06 0.12 -0.11 -0.13 0.00 0.00 0.00 175.10 174.92 1t6w s ARG 31 N 1.46 3.21 -0.72 2.72 0.52 -0.98 0.17 118.95 125.32 1t6w s ARG 31 Ca 0.02 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1t6w s ARG 31 Cb -0.17 -2.63 0.18 0.00 0.52 0.00 0.00 34.95 32.85 1t6w s ARG 31 CO 0.01 0.34 0.56 -1.58 0.02 0.00 0.00 175.30 174.65 1t6w s TRP 32 N 0.03 3.57 -0.02 -0.53 0.52 -0.11 -1.40 118.94 120.99 1t6w s TRP 32 Ca -0.03 -2.86 -0.03 0.00 0.02 0.00 0.00 56.10 53.20 1t6w s TRP 32 Cb -0.14 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 1t6w s TRP 32 CO 0.04 -0.79 0.17 -1.21 0.02 0.00 0.00 176.95 175.18 1t6w s GLU 33 N -0.58 3.40 -0.08 4.98 2.02 -0.30 -1.43 118.70 126.70 1t6w s GLU 33 Ca 0.21 -0.32 -0.02 0.00 0.02 0.00 0.00 54.97 54.86 1t6w s GLU 33 Cb -0.15 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.03 1t6w s GLU 33 CO -0.07 0.68 0.03 0.50 0.02 0.00 0.00 175.26 176.42 1t6w s ARG 34 N -1.86 0.38 6.23 1.61 3.52 -0.63 -0.93 118.95 127.27 1t6w s ARG 34 Ca 0.26 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 1t6w s ARG 34 Cb -0.13 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.26 1t6w s ARG 34 CO 0.17 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 1t6w n GLY 35 N 5.19 2.68 2.25 8.12 0.00 -1.26 -1.49 105.19 120.68 1t6w n GLY 35 Ca -0.06 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 9.82 4.93 -3.59 1.61 7.64 -1.26 -5.03 113.62 127.73 1t6w n SER 36 Ca 0.00 -3.74 -0.11 0.00 1.01 0.00 0.00 58.87 56.03 1t6w n SER 36 Cb 0.00 -0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 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 -5.04 0.06 0.01 0.44 2.01 -0.56 -5.17 115.64 107.39 1t6w s THR 37 Ca 0.50 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 1t6w s THR 37 Cb 0.41 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1t6w s THR 37 CO -0.07 -0.26 0.15 -0.76 -0.69 0.00 0.00 174.62 172.99 1t6w s LEU 38 N -2.79 4.21 -0.04 4.42 1.43 -1.26 -1.60 118.68 123.05 1t6w s LEU 38 Ca 0.03 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1t6w s LEU 38 Cb 0.01 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1t6w s LEU 38 CO -0.12 0.25 -0.04 0.52 0.23 0.00 0.00 176.35 177.19 1t6w n VAL 39 N 0.88 0.22 -3.24 -1.59 0.31 -0.52 -4.65 118.33 109.74 1t6w n VAL 39 Ca -0.10 -0.08 0.04 0.00 -0.01 0.00 0.00 64.34 64.18 1t6w n VAL 39 Cb 0.52 -0.75 -0.02 0.00 -0.91 0.00 0.00 33.84 32.68 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 -2.08 -3.02 0.11 3.52 0.00 -1.19 -1.26 121.76 117.85 1t6w s ALA 40 Ca -0.05 1.71 0.10 0.00 0.00 0.00 0.00 51.96 53.71 1t6w s ALA 40 Cb 0.01 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1t6w s ALA 40 CO 0.09 -1.26 -0.22 -1.83 0.00 0.00 0.00 175.76 172.54 1t6w s GLU 41 N 2.75 1.67 0.17 0.00 -1.05 -0.44 -0.94 118.70 120.87 1t6w s GLU 41 Ca 0.02 -1.22 0.07 0.00 -0.15 0.00 0.00 54.97 53.68 1t6w s GLU 41 Cb -0.09 -2.04 -0.04 0.00 -0.44 0.00 0.00 34.13 31.51 1t6w s GLU 41 CO -0.15 0.48 -0.14 0.12 0.95 0.00 0.00 175.26 176.52 1t6w s PHE 42 N -1.08 1.59 0.23 4.83 2.19 0.44 -1.63 117.98 124.54 1t6w s PHE 42 Ca 0.16 -0.58 -0.07 0.00 0.33 0.00 0.00 56.93 56.76 1t6w s PHE 42 Cb -0.10 -0.77 -0.02 0.00 -1.31 0.00 0.00 43.02 40.81 1t6w s PHE 42 CO 0.08 0.26 0.32 0.15 1.83 0.00 0.00 175.22 177.86 1t6w s LYS 43 N -3.33 1.39 -0.57 10.12 3.01 -1.25 -1.43 119.74 127.68 1t6w s LYS 43 Ca 0.18 -1.42 -0.20 0.00 -1.01 0.00 0.00 55.97 53.52 1t6w s LYS 43 Cb -0.02 0.38 0.08 0.00 -1.01 0.00 0.00 37.83 37.26 1t6w s LYS 43 CO 0.05 -0.53 0.72 0.50 0.51 0.00 0.00 175.35 176.60 1t6w s ARG 44 N -4.08 3.09 0.00 1.68 3.52 0.10 -4.43 118.95 118.83 1t6w s ARG 44 Ca 0.30 -1.08 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1t6w s ARG 44 Cb 0.03 -4.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 1t6w s ARG 44 CO 0.10 -1.47 0.00 1.17 -0.81 0.00 0.00 175.30 174.30 1t6w n LYS 45 N 6.48 0.00 -0.57 5.12 4.81 -1.26 -4.97 118.16 127.78 1t6w n LYS 45 Ca -0.07 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.06 1t6w n LYS 45 Cb 0.44 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.71 1t6w n LYS 45 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1t6w n MET 46 N 0.00 -2.14 -3.07 1.64 1.56 -1.26 -4.95 117.12 108.89 1t6w n MET 46 Ca 0.00 -0.60 -0.39 0.00 -0.27 0.00 0.00 57.70 56.43 1t6w n MET 46 Cb 0.00 -1.92 -0.05 0.00 2.15 0.00 0.00 33.22 33.40 1t6w n MET 46 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1t6w s LYS 47 N -3.90 4.42 0.57 2.12 1.02 -1.26 -4.58 119.74 118.14 1t6w s LYS 47 Ca 0.62 0.92 -0.08 0.00 0.02 0.00 0.00 55.97 57.45 1t6w s LYS 47 Cb -0.19 -3.36 0.13 0.00 -0.52 0.00 0.00 37.83 33.89 1t6w s LYS 47 CO 0.66 0.29 0.78 -0.35 -0.92 0.00 0.00 175.35 175.81 1t6w n PRO 48 N 2.87 -0.59 -3.81 -1.68 -0.04 -1.26 -4.79 135.00 125.71 1t6w n PRO 48 Ca -0.04 -1.37 -0.29 0.00 -0.04 0.00 0.00 63.50 61.76 1t6w n PRO 48 Cb 0.51 -0.75 -0.16 0.00 -0.04 0.00 0.00 33.50 33.06 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 -2.58 1.73 -0.36 0.54 5.36 -0.65 -4.97 117.98 117.05 1t6w s PHE 49 Ca 0.46 -1.46 -0.14 0.00 -0.96 0.00 0.00 56.93 54.83 1t6w s PHE 49 Cb -0.01 -1.46 -0.01 0.00 -0.34 0.00 0.00 43.02 41.20 1t6w s PHE 49 CO 0.32 -0.75 0.28 -0.51 -1.46 0.00 0.00 175.22 173.10 1t6w s LEU 50 N 1.62 4.66 0.27 6.12 1.43 -1.26 -1.33 118.68 130.19 1t6w s LEU 50 Ca 0.01 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1t6w s LEU 50 Cb -0.18 -2.18 0.62 0.00 0.03 0.00 0.00 46.19 44.49 1t6w s LEU 50 CO -0.12 -0.31 1.66 0.50 0.23 0.00 0.00 176.35 178.31 1t6w h LYS 51 N 8.53 0.24 -1.35 1.70 3.64 -1.44 -3.45 116.57 124.43 1t6w h LYS 51 Ca -0.30 -0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.38 1t6w h LYS 51 Cb 1.14 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.76 1t6w h LYS 51 CO 0.67 0.16 0.87 -1.54 -2.27 0.00 0.00 179.45 177.33 1t6w s SER 52 N -5.15 -0.07 0.14 4.20 1.04 -1.26 -4.99 113.70 107.61 1t6w s SER 52 Ca -0.12 -0.06 0.07 0.00 0.48 0.00 0.00 55.95 56.32 1t6w s SER 52 Cb 0.24 0.12 0.39 0.00 0.10 0.00 0.00 66.02 66.86 1t6w s SER 52 CO 0.77 -0.21 1.12 0.61 0.98 0.00 0.00 173.24 176.51 1t6w n GLY 53 N -0.31 -0.52 0.00 7.32 0.00 -1.26 -1.30 105.19 109.11 1t6w n GLY 53 Ca -0.04 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.49 2.36 -2.40 4.61 0.00 -1.26 -4.76 120.51 117.57 1t6w n ALA 54 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1t6w n ALA 54 Cb 0.16 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.16 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 1.09 -0.20 0.00 0.08 -0.42 -1.09 117.98 115.45 1t6w s PHE 55 Ca 0.32 -0.70 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 1t6w s PHE 55 Cb 0.15 -0.59 0.09 0.00 -0.57 0.00 0.00 43.02 42.10 1t6w s PHE 55 CO 0.25 0.01 0.39 -2.00 -0.10 0.00 0.00 175.22 173.76 1t6w s GLU 56 N -3.10 0.30 -0.70 0.44 2.12 -0.24 -4.89 118.70 112.62 1t6w s GLU 56 Ca 0.09 0.92 -0.27 0.00 0.36 0.00 0.00 54.97 56.07 1t6w s GLU 56 Cb -0.01 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.54 1t6w s GLU 56 CO -0.00 -0.32 1.57 -1.50 -0.54 0.00 0.00 175.26 174.47 1t6w s ILE 57 N 2.57 3.55 1.06 -3.70 2.07 -1.26 -0.70 121.20 124.79 1t6w s ILE 57 Ca 0.01 0.25 -0.19 0.00 -1.41 0.00 0.00 60.65 59.31 1t6w s ILE 57 Cb -0.13 -4.45 0.03 0.00 0.13 0.00 0.00 42.46 38.04 1t6w s ILE 57 CO -0.13 -1.40 -0.20 0.18 -1.91 0.00 0.00 174.94 171.49 1t6w n LEU 58 N 11.05 -2.22 0.25 8.50 4.32 0.41 -4.80 117.00 134.50 1t6w n LEU 58 Ca 0.13 0.01 0.12 0.00 -0.02 0.00 0.00 56.01 56.25 1t6w n LEU 58 Cb 0.50 -0.93 0.63 0.00 -1.62 0.00 0.00 43.42 42.01 1t6w n LEU 58 CO 0.70 -3.31 0.91 0.00 -1.22 0.00 0.00 177.39 174.47 1t6w h ALA 59 N -1.74 1.14 -0.83 -1.18 0.00 -1.94 -2.75 119.26 111.97 1t6w h ALA 59 Ca -0.49 -0.14 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 1t6w h ALA 59 Cb 1.35 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.86 1t6w h ALA 59 CO 0.34 0.19 0.61 0.27 0.00 0.00 0.00 179.25 180.65 1t6w n ASN 60 N -3.48 4.80 -2.98 0.00 0.23 -1.26 -4.80 115.26 107.78 1t6w n ASN 60 Ca -0.01 -3.41 -0.22 0.00 -0.53 0.00 0.00 54.58 50.42 1t6w n ASN 60 Cb 0.31 -0.85 0.02 0.00 -2.08 0.00 0.00 39.78 37.18 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 -0.75 -0.51 3.92 4.83 0.00 -1.04 -4.43 105.19 107.20 1t6w n GLY 61 Ca 0.51 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 1t6w n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t6w s ASP 62 N -2.59 5.52 -0.24 1.61 2.15 -1.25 -4.86 116.67 117.01 1t6w s ASP 62 Ca 0.27 -0.42 -0.07 0.00 0.43 0.00 0.00 52.55 52.76 1t6w s ASP 62 Cb -0.12 -0.96 -0.03 0.00 -0.30 0.00 0.00 42.92 41.51 1t6w s ASP 62 CO 0.33 -0.47 0.05 -0.22 -0.17 0.00 0.00 175.17 174.69 1t6w s LEU 63 N -4.12 3.34 -0.35 -1.34 2.96 -1.23 -0.45 118.68 117.51 1t6w s LEU 63 Ca 0.45 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1t6w s LEU 63 Cb -0.07 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1t6w s LEU 63 CO 0.29 -0.02 0.14 -0.75 -1.32 0.00 0.00 176.35 174.69 1t6w s LYS 64 N 1.50 2.76 0.03 1.98 2.36 0.12 -1.80 119.74 126.69 1t6w s LYS 64 Ca 0.06 -1.10 -0.19 0.00 -2.55 0.00 0.00 55.97 52.18 1t6w s LYS 64 Cb -0.15 -3.56 -0.06 0.00 -1.05 0.00 0.00 37.83 33.02 1t6w s LYS 64 CO 0.02 -0.65 0.56 0.42 1.55 0.00 0.00 175.35 177.25 1t6w s ILE 65 N 1.47 4.85 -0.13 5.43 1.01 -0.55 -1.08 121.20 132.20 1t6w s ILE 65 Ca 0.00 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 61.62 1t6w s ILE 65 Cb -0.19 -3.89 -0.25 0.00 0.01 0.00 0.00 42.46 38.14 1t6w s ILE 65 CO 0.04 0.49 0.56 0.50 0.00 0.00 0.00 174.94 176.53 1t6w h LYS 66 N 5.09 0.12 -2.74 2.79 3.64 -1.43 -3.27 116.57 120.78 1t6w h LYS 66 Ca -0.48 -0.21 -0.36 0.00 -1.27 0.00 0.00 60.65 58.34 1t6w h LYS 66 Cb 1.21 0.08 -0.37 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 66 CO 0.66 1.10 -0.67 1.21 -2.27 0.00 0.00 179.45 179.48 1t6w s ASN 67 N -6.76 1.63 0.64 4.20 2.47 -1.26 -4.03 114.94 111.83 1t6w s ASN 67 Ca -0.21 -0.30 -0.18 0.00 0.42 0.00 0.00 52.86 52.59 1t6w s ASN 67 Cb 0.02 0.17 -0.03 0.00 -1.45 0.00 0.00 41.25 39.96 1t6w s ASN 67 CO 0.71 -0.33 0.94 0.18 -3.72 0.00 0.00 177.10 174.88 1t6w n LEU 68 N 5.31 3.55 -3.69 3.21 4.77 -0.34 -4.61 117.00 125.20 1t6w n LEU 68 Ca -0.06 0.76 -0.11 0.00 -0.03 0.00 0.00 56.01 56.57 1t6w n LEU 68 Cb 0.49 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.15 1t6w n LEU 68 CO 0.08 -1.99 0.10 0.42 -1.33 0.00 0.00 177.39 174.68 1t6w s THR 69 N -1.60 0.08 0.13 -5.08 -4.23 -1.26 -1.05 115.64 102.63 1t6w s THR 69 Ca 0.76 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 60.33 1t6w s THR 69 Cb -0.39 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 1t6w s THR 69 CO 0.48 -0.37 1.59 0.08 -0.54 0.00 0.00 174.62 175.86 1t6w h ARG 70 N 2.62 -0.44 -0.12 3.99 0.11 -1.95 0.21 114.38 118.80 1t6w h ARG 70 Ca -0.33 0.03 0.03 0.00 0.10 0.00 0.00 59.98 59.81 1t6w h ARG 70 Cb 1.23 0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.41 1t6w h ARG 70 CO 0.48 -0.29 0.27 0.22 0.10 0.00 0.00 179.97 180.75 1t6w h ASP 71 N -0.45 0.00 1.43 0.08 3.58 -2.01 0.46 116.42 119.50 1t6w h ASP 71 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1t6w h ASP 71 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1t6w h ASP 71 CO -0.38 0.00 -0.01 -0.67 -2.88 0.00 0.00 179.24 175.29 1t6w n ASP 72 N -3.29 0.75 -4.70 2.28 2.03 0.70 -4.78 116.55 109.55 1t6w n ASP 72 Ca 0.00 0.56 -0.42 0.00 0.52 0.00 0.00 54.79 55.45 1t6w n ASP 72 Cb 0.37 -0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1t6w s SER 73 N -4.41 7.28 0.00 1.67 0.15 0.16 -4.89 113.70 113.66 1t6w s SER 73 Ca 0.11 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1t6w s SER 73 Cb 0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1t6w s SER 73 CO 0.59 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.26 1t6w n GLY 74 N 3.03 -0.49 3.67 9.45 0.00 -0.29 -5.00 105.19 115.56 1t6w n GLY 74 Ca 0.08 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.75 5.12 -0.18 2.61 2.01 -1.26 0.21 115.64 121.40 1t6w s THR 75 Ca 0.00 0.97 -0.07 0.00 0.31 0.00 0.00 61.69 62.89 1t6w s THR 75 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1t6w s THR 75 CO 0.00 0.20 0.07 -0.31 -0.69 0.00 0.00 174.62 173.89 1t6w s TYR 76 N 1.45 3.28 -0.16 4.92 1.51 0.13 -4.46 117.35 124.00 1t6w s TYR 76 Ca 0.25 0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 56.41 1t6w s TYR 76 Cb -0.15 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.61 1t6w s TYR 76 CO 0.10 0.20 -0.10 -0.80 -1.11 0.00 0.00 175.55 173.84 1t6w s ASN 77 N 0.26 4.12 -0.19 2.29 0.01 -0.11 -0.04 114.94 121.29 1t6w s ASN 77 Ca 0.04 -0.35 -0.05 0.00 -0.71 0.00 0.00 52.86 51.79 1t6w s ASN 77 Cb -0.12 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 39.85 1t6w s ASN 77 CO 0.00 0.09 0.00 -0.69 -1.51 0.00 0.00 177.10 175.00 1t6w s VAL 78 N 0.78 4.04 -0.46 1.60 1.01 0.10 -1.15 120.40 126.32 1t6w s VAL 78 Ca -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1t6w s VAL 78 Cb -0.15 -2.82 0.12 0.00 0.00 0.00 0.00 36.38 33.53 1t6w s VAL 78 CO 0.01 0.44 0.26 -0.89 0.00 0.00 0.00 175.10 174.92 1t6w s THR 79 N 0.82 3.39 -0.19 3.92 2.01 -0.49 -1.19 115.64 123.91 1t6w s THR 79 Ca 0.01 -2.25 -0.20 0.00 0.31 0.00 0.00 61.69 59.56 1t6w s THR 79 Cb -0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 1t6w s THR 79 CO 0.02 -0.73 0.57 -0.69 -0.69 0.00 0.00 174.62 173.10 1t6w s VAL 80 N 0.88 5.07 0.12 3.82 1.01 0.68 -2.33 120.40 129.66 1t6w s VAL 80 Ca 0.10 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.23 1t6w s VAL 80 Cb -0.22 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1t6w s VAL 80 CO -0.04 0.15 -0.09 -0.31 0.00 0.00 0.00 175.10 174.82 1t6w s TYR 81 N 1.70 2.73 0.67 5.22 1.51 0.58 0.85 117.35 130.60 1t6w s TYR 81 Ca 0.27 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1t6w s TYR 81 Cb -0.16 -1.40 0.09 0.00 -0.11 0.00 0.00 41.96 40.38 1t6w s TYR 81 CO 0.10 0.45 0.94 -1.54 -1.11 0.00 0.00 175.55 174.39 1t6w s SER 82 N -2.40 4.69 0.55 2.29 1.04 0.10 -0.97 113.70 119.01 1t6w s SER 82 Ca 0.23 -0.08 0.37 0.00 0.48 0.00 0.00 55.95 56.95 1t6w s SER 82 Cb -0.10 -0.50 1.97 0.00 0.10 0.00 0.00 66.02 67.49 1t6w s SER 82 CO 0.15 -1.61 2.14 0.71 0.98 0.00 0.00 173.24 175.60 1t6w h THR 83 N -0.39 0.00 -0.46 2.02 1.35 -1.67 -1.14 112.91 112.63 1t6w h THR 83 Ca -0.40 -0.05 -0.10 0.00 -0.55 0.00 0.00 66.41 65.31 1t6w h THR 83 Cb 1.28 0.91 -0.06 0.00 -1.73 0.00 0.00 68.15 68.55 1t6w h THR 83 CO 0.48 0.00 0.13 0.59 -0.25 0.00 0.00 175.52 176.46 1t6w n ASN 84 N -2.84 3.93 -1.52 5.36 4.13 -1.26 -4.87 115.26 118.19 1t6w n ASN 84 Ca -0.02 -2.74 -0.20 0.00 1.68 0.00 0.00 54.58 53.30 1t6w n ASN 84 Cb 0.09 -0.65 -0.08 0.00 -1.54 0.00 0.00 39.78 37.59 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 0.12 1.86 3.52 7.41 0.00 -0.43 -4.96 105.19 112.71 1t6w n GLY 85 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 1t6w n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t6w n THR 86 N -2.34 0.00 -3.74 2.61 -1.04 -1.25 -4.86 114.28 103.66 1t6w n THR 86 Ca -0.20 -1.76 -0.36 0.00 -2.04 0.00 0.00 64.05 59.70 1t6w n THR 86 Cb 0.67 -0.54 -0.10 0.00 -1.82 0.00 0.00 70.33 68.55 1t6w n THR 86 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1t6w s ARG 87 N -4.35 4.04 -0.23 -2.82 3.00 -1.26 -0.72 118.95 116.61 1t6w s ARG 87 Ca 0.53 -0.29 -0.16 0.00 -1.00 0.00 0.00 55.73 54.82 1t6w s ARG 87 Cb -0.04 -3.45 -0.10 0.00 0.00 0.00 0.00 34.95 31.36 1t6w s ARG 87 CO 0.34 0.12 -0.31 -0.89 0.00 0.00 0.00 175.30 174.55 1t6w n ILE 88 N 4.08 1.51 -3.71 4.11 2.08 0.25 -4.82 119.36 122.86 1t6w n ILE 88 Ca -0.16 -0.13 -0.14 0.00 0.56 0.00 0.00 62.75 62.89 1t6w n ILE 88 Cb 0.52 -2.10 -0.14 0.00 -0.75 0.00 0.00 39.64 37.17 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 -7.72 0.28 -0.30 1.39 0.20 -1.01 -5.01 118.68 106.51 1t6w s LEU 89 Ca -0.33 0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.93 1t6w s LEU 89 Cb 0.09 0.51 0.07 0.00 -0.43 0.00 0.00 46.19 46.44 1t6w s LEU 89 CO 0.46 -0.19 -0.03 0.21 -0.29 0.00 0.00 176.35 176.51 1t6w s ASN 90 N 1.66 4.69 0.31 3.68 3.04 -1.26 -0.23 114.94 126.84 1t6w s ASN 90 Ca -0.05 -1.55 0.11 0.00 0.04 0.00 0.00 52.86 51.41 1t6w s ASN 90 Cb -0.11 -1.63 -0.06 0.00 -1.54 0.00 0.00 41.25 37.91 1t6w s ASN 90 CO -0.07 -0.27 -0.14 -0.54 -3.04 0.00 0.00 177.10 173.04 1t6w s LYS 91 N 1.11 1.75 -0.06 0.43 -0.14 -0.34 -4.96 119.74 117.53 1t6w s LYS 91 Ca -0.03 -1.86 -0.03 0.00 -1.36 0.00 0.00 55.97 52.69 1t6w s LYS 91 Cb -0.20 -1.72 0.04 0.00 -1.68 0.00 0.00 37.83 34.27 1t6w s LYS 91 CO -0.04 0.22 0.11 0.00 -0.76 0.00 0.00 175.35 174.88 1t6w s ALA 92 N -2.58 0.01 0.21 5.17 0.00 -1.26 0.01 121.76 123.33 1t6w s ALA 92 Ca 0.31 0.40 0.10 0.00 0.00 0.00 0.00 51.96 52.76 1t6w s ALA 92 Cb -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1t6w s ALA 92 CO 0.16 -0.51 -0.09 -0.51 0.00 0.00 0.00 175.76 174.80 1t6w s LEU 93 N 2.18 2.94 -0.24 0.00 1.02 0.95 -3.64 118.68 121.88 1t6w s LEU 93 Ca 0.03 -0.67 -0.08 0.00 0.02 0.00 0.00 54.13 53.44 1t6w s LEU 93 Cb -0.12 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 1t6w s LEU 93 CO -0.04 0.07 0.08 -1.81 0.02 0.00 0.00 176.35 174.67 1t6w s ASP 94 N -3.11 5.31 -0.49 2.29 1.11 0.11 0.18 116.67 122.07 1t6w s ASP 94 Ca 0.27 -0.14 -0.07 0.00 0.18 0.00 0.00 52.55 52.79 1t6w s ASP 94 Cb -0.08 -1.95 0.13 0.00 1.07 0.00 0.00 42.92 42.09 1t6w s ASP 94 CO 0.16 -0.01 0.34 -0.22 1.18 0.00 0.00 175.17 176.62 1t6w s LEU 95 N 1.45 5.58 -0.41 1.23 2.96 0.13 0.29 118.68 129.92 1t6w s LEU 95 Ca 0.06 -2.08 -0.17 0.00 -0.22 0.00 0.00 54.13 51.72 1t6w s LEU 95 Cb -0.15 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1t6w s LEU 95 CO 0.04 -0.62 0.44 -0.13 -1.32 0.00 0.00 176.35 174.76 1t6w s ARG 96 N 1.10 3.16 -0.34 1.98 1.81 -0.36 -1.14 118.95 125.17 1t6w s ARG 96 Ca 0.08 -0.70 -0.10 0.00 -1.72 0.00 0.00 55.73 53.29 1t6w s ARG 96 Cb -0.24 -3.95 0.01 0.00 -0.45 0.00 0.00 34.95 30.32 1t6w s ARG 96 CO -0.02 -0.82 0.17 0.42 -0.68 0.00 0.00 175.30 174.37 1t6w s ILE 97 N 2.14 4.51 -0.06 1.52 1.01 -1.26 -1.24 121.20 127.82 1t6w s ILE 97 Ca 0.12 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 1t6w s ILE 97 Cb -0.17 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1t6w s ILE 97 CO 0.13 -0.06 1.54 -0.76 0.00 0.00 0.00 174.94 175.79 1t6w s LEU 98 N 1.57 4.30 0.00 2.97 1.43 0.11 -4.74 118.68 124.32 1t6w s LEU 98 Ca 0.03 2.12 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 1t6w s LEU 98 Cb -0.18 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.54 1t6w s LEU 98 CO 0.06 -0.86 0.53 -0.62 0.23 0.00 0.00 176.35 175.69