#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w h ASP 2 N 0.00 0.00 -4.13 0.55 1.82 -1.99 -3.48 116.42 109.20 1t6w h ASP 2 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 1t6w h ASP 2 Cb 0.00 0.00 0.20 0.00 0.68 0.00 0.00 39.33 40.21 1t6w h ASP 2 CO 0.00 0.34 0.16 -1.20 -1.61 0.00 0.00 179.24 176.93 1t6w n SER 3 N -3.38 0.02 0.00 2.28 7.64 -1.26 -4.72 113.62 114.20 1t6w n SER 3 Ca -0.03 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1t6w n SER 3 Cb 0.11 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1t6w n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t6w n GLY 4 N 0.40 -0.00 3.43 0.23 0.00 -1.26 -4.86 105.19 103.12 1t6w n GLY 4 Ca 0.11 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 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 1.67 -3.92 2.61 -1.04 -1.26 -4.01 114.28 108.34 1t6w n THR 5 Ca 0.00 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.40 1t6w n THR 5 Cb 0.00 -0.51 -0.13 0.00 -1.82 0.00 0.00 70.33 67.88 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 -1.65 0.05 -0.16 12.58 0.11 0.49 -4.84 120.40 126.98 1t6w s VAL 6 Ca 0.64 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1t6w s VAL 6 Cb -0.53 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1t6w s VAL 6 CO 0.58 -0.23 -0.12 0.26 -3.33 0.00 0.00 175.10 172.26 1t6w s TRP 7 N -0.67 2.83 0.34 1.54 0.52 -1.26 -1.14 118.94 121.10 1t6w s TRP 7 Ca -0.07 -0.88 0.01 0.00 0.02 0.00 0.00 56.10 55.18 1t6w s TRP 7 Cb -0.05 -1.91 -0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1t6w s TRP 7 CO -0.00 -0.39 0.43 0.41 0.02 0.00 0.00 176.95 177.42 1t6w n GLY 8 N 3.99 2.33 3.04 0.98 0.00 -0.42 -5.01 105.19 110.10 1t6w n GLY 8 Ca -0.19 -1.69 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.94 1.08 0.25 4.61 0.00 -1.26 0.10 121.76 123.60 1t6w s ALA 9 Ca 0.32 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.55 1t6w s ALA 9 Cb -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 23.12 22.58 1t6w s ALA 9 CO 0.23 0.17 1.29 -0.11 0.00 0.00 0.00 175.76 177.33 1t6w n LEU 10 N 3.33 2.70 0.00 0.00 7.94 -0.51 -0.97 117.00 129.49 1t6w n LEU 10 Ca -0.19 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1t6w n LEU 10 Cb 0.53 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1t6w n LEU 10 CO 0.25 -0.77 0.00 0.61 -1.11 0.00 0.00 177.39 176.37 1t6w n GLY 11 N 1.77 1.85 3.83 -3.96 0.00 -0.23 -4.82 105.19 103.63 1t6w n GLY 11 Ca 0.11 0.00 -0.22 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 -2.80 2.76 0.47 1.61 5.65 -0.15 -4.56 115.29 118.27 1t6w s HIS 12 Ca 0.00 -0.43 -0.08 0.00 0.25 0.00 0.00 55.06 54.80 1t6w s HIS 12 Cb 0.00 -1.96 0.12 0.00 -1.18 0.00 0.00 32.58 29.56 1t6w s HIS 12 CO 0.00 0.07 0.44 0.41 -0.65 0.00 0.00 174.74 175.01 1t6w n GLY 13 N -1.40 -2.40 0.00 1.59 0.00 -1.26 -1.38 105.19 100.34 1t6w n GLY 13 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.34 0.00 -4.84 -0.61 0.13 -1.25 -4.69 119.36 104.77 1t6w n ILE 14 Ca 0.06 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.41 1t6w n ILE 14 Cb 0.23 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 38.86 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 2.69 -0.54 9.51 -1.08 -1.26 -1.37 116.67 124.62 1t6w s ASP 15 Ca 0.00 -0.49 -0.25 0.00 -0.52 0.00 0.00 52.55 51.29 1t6w s ASP 15 Cb 0.00 -1.23 0.04 0.00 -1.46 0.00 0.00 42.92 40.27 1t6w s ASP 15 CO 0.00 0.09 0.98 -0.76 0.52 0.00 0.00 175.17 176.00 1t6w s LEU 16 N 0.62 3.99 -0.18 -1.34 1.02 -0.68 -4.96 118.68 117.15 1t6w s LEU 16 Ca -0.13 -0.20 -0.21 0.00 0.02 0.00 0.00 54.13 53.61 1t6w s LEU 16 Cb -0.16 -2.95 -0.03 0.00 0.02 0.00 0.00 46.19 43.07 1t6w s LEU 16 CO 0.04 -1.23 0.62 -1.81 0.02 0.00 0.00 176.35 173.99 1t6w s ASP 17 N 2.76 6.71 -0.24 2.29 1.01 -1.26 -3.30 116.67 124.63 1t6w s ASP 17 Ca 0.33 0.86 -0.29 0.00 0.71 0.00 0.00 52.55 54.16 1t6w s ASP 17 Cb -0.11 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.48 1t6w s ASP 17 CO 0.21 -0.24 1.05 -0.63 0.21 0.00 0.00 175.17 175.77 1t6w s ILE 18 N 1.72 4.66 0.23 0.77 1.01 -1.26 -4.48 121.20 123.85 1t6w s ILE 18 Ca 0.29 2.00 -0.31 0.00 0.00 0.00 0.00 60.65 62.62 1t6w s ILE 18 Cb -0.16 -4.32 -0.12 0.00 0.01 0.00 0.00 42.46 37.87 1t6w s ILE 18 CO 0.11 -0.21 1.69 -2.84 0.00 0.00 0.00 174.94 173.69 1t6w s PRO 19 N 3.25 4.12 -1.01 2.79 0.02 -1.26 -3.57 135.00 139.34 1t6w s PRO 19 Ca 0.44 2.61 -0.16 0.00 0.02 0.00 0.00 61.00 63.91 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 0.07 -0.73 0.66 0.09 -0.33 0.00 0.00 177.00 176.77 1t6w n ASN 20 N 3.50 -4.83 -3.94 2.53 4.13 -1.26 -4.99 115.26 110.40 1t6w n ASN 20 Ca 0.14 -1.05 -0.10 0.00 1.68 0.00 0.00 54.58 55.25 1t6w n ASN 20 Cb 0.36 -2.10 -0.11 0.00 -1.54 0.00 0.00 39.78 36.39 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1t6w s PHE 21 N -3.25 0.17 -0.13 3.10 5.36 -1.23 -5.07 117.98 116.92 1t6w s PHE 21 Ca 0.25 -0.36 -0.04 0.00 -0.96 0.00 0.00 56.93 55.82 1t6w s PHE 21 Cb -0.12 -0.13 0.06 0.00 -0.34 0.00 0.00 43.02 42.49 1t6w s PHE 21 CO 0.91 -0.21 0.18 -0.65 -1.46 0.00 0.00 175.22 173.99 1t6w s GLN 22 N -1.33 0.09 -1.33 10.12 -0.21 -1.26 -5.01 119.66 120.72 1t6w s GLN 22 Ca -0.14 0.42 -0.17 0.00 0.02 0.00 0.00 55.36 55.49 1t6w s GLN 22 Cb -0.09 -0.64 0.07 0.00 1.00 0.00 0.00 33.01 33.35 1t6w s GLN 22 CO -0.00 -0.43 1.83 -0.12 -2.12 0.00 0.00 175.29 174.45 1t6w n MET 23 N 5.32 3.14 -2.12 2.91 0.00 -1.26 -4.75 117.12 120.36 1t6w n MET 23 Ca -0.05 -3.17 -0.10 0.00 -0.00 0.00 0.00 57.70 54.38 1t6w n MET 23 Cb 0.50 -3.42 0.02 0.00 0.00 0.00 0.00 33.22 30.32 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 5.97 0.00 0.04 1.12 -2.24 -1.26 -4.86 114.28 113.05 1t6w n THR 24 Ca 0.49 -0.92 0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1t6w n THR 24 Cb 0.44 -0.62 0.64 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.13 0.07 0.54 3.42 3.32 -2.03 0.16 116.42 122.02 1t6w h ASP 25 Ca -0.14 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1t6w h ASP 25 Cb 0.58 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1t6w h ASP 25 CO 0.20 0.04 -0.17 0.44 -1.72 0.00 0.00 179.24 178.04 1t6w h ASP 26 N 0.08 0.00 -3.35 6.45 5.19 -1.94 -3.42 116.42 119.44 1t6w h ASP 26 Ca 0.20 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 56.04 1t6w h ASP 26 Cb 0.69 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.14 1t6w h ASP 26 CO -0.02 0.17 0.24 -0.63 -3.12 0.00 0.00 179.24 175.88 1t6w s ILE 27 N -4.01 4.96 -0.11 0.35 -1.09 0.55 -2.49 121.20 119.35 1t6w s ILE 27 Ca -0.02 1.53 -0.01 0.00 -2.23 0.00 0.00 60.65 59.93 1t6w s ILE 27 Cb 0.12 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 1t6w s ILE 27 CO 0.61 0.13 -0.11 0.47 -1.23 0.00 0.00 174.94 174.81 1t6w n ASP 28 N 4.55 2.53 -4.52 3.58 9.92 -0.66 -4.76 116.55 127.19 1t6w n ASP 28 Ca 0.02 -0.01 -0.24 0.00 -0.53 0.00 0.00 54.79 54.03 1t6w n ASP 28 Cb 0.50 -0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 40.67 1t6w n ASP 28 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1t6w s GLU 29 N -2.22 1.86 -0.27 -1.24 8.01 -1.07 -0.60 118.70 123.17 1t6w s GLU 29 Ca -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 54.97 53.22 1t6w s GLU 29 Cb 0.04 -1.92 0.16 0.00 -4.31 0.00 0.00 34.13 28.10 1t6w s GLU 29 CO 0.24 0.36 0.45 0.08 0.01 0.00 0.00 175.26 176.40 1t6w s VAL 30 N -2.28 -0.74 -0.15 2.63 1.01 -0.12 -2.64 120.40 118.12 1t6w s VAL 30 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1t6w s VAL 30 Cb -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1t6w s VAL 30 CO 0.16 -0.10 -0.08 -0.13 0.00 0.00 0.00 175.10 174.95 1t6w s ARG 31 N 2.65 3.55 -0.76 2.72 0.52 -1.12 0.23 118.95 126.75 1t6w s ARG 31 Ca 0.15 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.74 1t6w s ARG 31 Cb -0.15 -2.80 0.19 0.00 0.52 0.00 0.00 34.95 32.71 1t6w s ARG 31 CO -0.19 0.23 0.61 -1.58 0.02 0.00 0.00 175.30 174.39 1t6w s TRP 32 N 0.37 3.64 0.14 -0.53 0.52 0.11 -1.68 118.94 121.50 1t6w s TRP 32 Ca -0.07 -2.79 0.03 0.00 0.02 0.00 0.00 56.10 53.29 1t6w s TRP 32 Cb -0.15 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 28.86 1t6w s TRP 32 CO 0.04 -0.81 0.19 -1.21 0.02 0.00 0.00 176.95 175.18 1t6w s GLU 33 N -0.60 3.14 -0.15 4.98 2.02 -0.32 -1.67 118.70 126.10 1t6w s GLU 33 Ca 0.21 -0.71 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 1t6w s GLU 33 Cb -0.14 -2.81 0.07 0.00 0.10 0.00 0.00 34.13 31.35 1t6w s GLU 33 CO -0.08 0.52 0.22 0.50 0.02 0.00 0.00 175.26 176.45 1t6w s ARG 34 N -2.98 0.14 6.81 1.61 3.52 -0.81 -0.77 118.95 126.47 1t6w s ARG 34 Ca 0.32 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.43 1t6w s ARG 34 Cb -0.11 -0.52 0.00 0.00 -1.56 0.00 0.00 34.95 32.76 1t6w s ARG 34 CO 0.25 -0.43 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 1t6w n GLY 35 N 5.33 3.53 2.23 8.12 0.00 -1.26 -1.54 105.19 121.60 1t6w n GLY 35 Ca -0.05 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 9.01 5.49 -3.75 1.61 7.64 -1.26 -5.01 113.62 127.33 1t6w n SER 36 Ca 0.00 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 56.03 1t6w n SER 36 Cb 0.00 -0.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.63 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 -4.88 0.10 0.05 0.44 2.01 -0.59 -5.17 115.64 107.60 1t6w s THR 37 Ca 0.53 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1t6w s THR 37 Cb 0.43 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1t6w s THR 37 CO -0.05 -0.44 0.04 -0.76 -0.69 0.00 0.00 174.62 172.72 1t6w s LEU 38 N -2.84 3.66 -0.01 4.42 1.43 -1.26 -1.92 118.68 122.16 1t6w s LEU 38 Ca 0.05 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1t6w s LEU 38 Cb 0.03 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.98 1t6w s LEU 38 CO -0.10 0.22 -0.01 0.52 0.23 0.00 0.00 176.35 177.21 1t6w n VAL 39 N 0.84 0.04 -3.26 -1.59 0.31 -0.67 -4.61 118.33 109.39 1t6w n VAL 39 Ca -0.11 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.23 1t6w n VAL 39 Cb 0.52 -0.94 -0.02 0.00 -0.91 0.00 0.00 33.84 32.50 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 -2.01 -2.40 -0.23 3.52 0.00 -1.14 -1.51 121.76 117.99 1t6w s ALA 40 Ca -0.01 1.91 0.02 0.00 0.00 0.00 0.00 51.96 53.87 1t6w s ALA 40 Cb 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 21.03 1t6w s ALA 40 CO 0.02 -1.25 -0.14 -1.21 0.00 0.00 0.00 175.76 173.18 1t6w s GLU 41 N 2.86 2.61 -0.01 0.00 2.02 -0.67 0.04 118.70 125.54 1t6w s GLU 41 Ca 0.11 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.02 1t6w s GLU 41 Cb -0.13 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 31.29 1t6w s GLU 41 CO -0.19 -0.41 0.01 0.12 0.02 0.00 0.00 175.26 174.81 1t6w s PHE 42 N 1.20 3.10 -0.06 1.61 2.19 0.14 -0.20 117.98 125.95 1t6w s PHE 42 Ca -0.02 0.10 -0.04 0.00 0.33 0.00 0.00 56.93 57.30 1t6w s PHE 42 Cb -0.17 -1.69 0.03 0.00 -1.31 0.00 0.00 43.02 39.88 1t6w s PHE 42 CO -0.08 0.47 0.15 0.21 1.83 0.00 0.00 175.22 177.80 1t6w s LYS 43 N -1.50 0.14 0.56 10.12 2.20 -1.26 -0.95 119.74 129.05 1t6w s LYS 43 Ca 0.19 0.30 0.35 0.00 -0.36 0.00 0.00 55.97 56.45 1t6w s LYS 43 Cb -0.12 -0.05 1.50 0.00 -1.51 0.00 0.00 37.83 37.66 1t6w s LYS 43 CO 0.10 -0.09 1.78 -0.09 -0.36 0.00 0.00 175.35 176.68 1t6w h ARG 44 N 6.60 0.00 -1.81 4.03 9.65 -1.23 0.10 114.38 131.73 1t6w h ARG 44 Ca -0.34 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.46 1t6w h ARG 44 Cb 1.17 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 1t6w h ARG 44 CO 0.42 0.00 0.10 1.17 2.80 0.00 0.00 179.97 184.45 1t6w n LYS 45 N -4.03 1.19 0.00 0.20 4.81 -1.26 -4.98 118.16 114.08 1t6w n LYS 45 Ca 0.23 -0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1t6w n LYS 45 Cb 1.20 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 35.11 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 1.15 0.00 -3.36 1.64 0.00 0.36 -4.89 117.12 112.01 1t6w n MET 46 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.62 1t6w n MET 46 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.78 1t6w n MET 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1t6w n LYS 47 N -0.06 -1.54 -0.08 2.12 5.02 -1.26 -4.57 118.16 117.79 1t6w n LYS 47 Ca 0.00 0.99 -0.01 0.00 -2.02 0.00 0.00 58.31 57.27 1t6w n LYS 47 Cb 0.00 -4.89 0.01 0.00 -0.02 0.00 0.00 35.03 30.13 1t6w n LYS 47 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1t6w n PRO 48 N -2.83 -0.07 -3.69 1.97 -0.04 -1.26 -4.83 135.00 124.25 1t6w n PRO 48 Ca -0.08 -0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1t6w n PRO 48 Cb 0.58 -0.06 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 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 -1.12 1.52 -0.38 0.54 5.36 0.71 -4.96 117.98 119.65 1t6w s PHE 49 Ca 0.03 -1.69 -0.17 0.00 -0.96 0.00 0.00 56.93 54.13 1t6w s PHE 49 Cb -0.00 -1.59 0.01 0.00 -0.34 0.00 0.00 43.02 41.09 1t6w s PHE 49 CO 0.02 -0.86 0.47 -0.51 -1.46 0.00 0.00 175.22 172.88 1t6w s LEU 50 N 1.53 4.56 0.00 6.12 1.43 -1.26 -1.67 118.68 129.39 1t6w s LEU 50 Ca 0.11 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1t6w s LEU 50 Cb -0.18 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1t6w s LEU 50 CO -0.23 -0.52 0.02 1.17 0.23 0.00 0.00 176.35 177.02 1t6w n LYS 51 N 5.68 0.00 -0.30 1.70 4.81 -0.57 -3.91 118.16 125.57 1t6w n LYS 51 Ca -0.06 0.02 0.08 0.00 -0.87 0.00 0.00 58.31 57.48 1t6w n LYS 51 Cb 0.48 -0.39 0.17 0.00 0.02 0.00 0.00 35.03 35.32 1t6w n LYS 51 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1t6w n SER 52 N -0.05 2.31 0.00 3.14 2.88 -1.26 -4.95 113.62 115.69 1t6w n SER 52 Ca 0.00 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.18 1t6w n SER 52 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1t6w n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t6w n GLY 53 N -1.25 0.66 0.33 0.46 0.00 -1.25 -4.82 105.19 99.31 1t6w n GLY 53 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 2.53 -2.38 4.61 0.00 -1.26 -4.84 120.51 120.16 1t6w n ALA 54 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 1t6w n ALA 54 Cb 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.83 1.70 -0.06 0.00 0.08 -1.26 -1.04 117.98 115.57 1t6w s PHE 55 Ca 0.24 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1t6w s PHE 55 Cb 0.12 -0.81 0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1t6w s PHE 55 CO 0.19 0.33 0.07 -2.00 -0.10 0.00 0.00 175.22 173.71 1t6w s GLU 56 N -3.35 -0.05 -0.64 0.44 -6.30 -0.11 -4.97 118.70 103.71 1t6w s GLU 56 Ca 0.19 0.33 -0.27 0.00 -2.50 0.00 0.00 54.97 52.73 1t6w s GLU 56 Cb -0.02 -0.67 0.01 0.00 0.00 0.00 0.00 34.13 33.45 1t6w s GLU 56 CO 0.06 -0.37 1.48 -1.50 0.02 0.00 0.00 175.26 174.94 1t6w s ILE 57 N 2.18 3.65 1.01 -3.70 2.07 -1.26 -0.80 121.20 124.34 1t6w s ILE 57 Ca 0.05 0.45 -0.14 0.00 -1.41 0.00 0.00 60.65 59.59 1t6w s ILE 57 Cb -0.13 -4.50 0.08 0.00 0.13 0.00 0.00 42.46 38.04 1t6w s ILE 57 CO -0.04 -1.38 0.38 0.18 -1.91 0.00 0.00 174.94 172.18 1t6w n LEU 58 N 10.31 -0.60 0.27 8.50 4.32 0.05 -4.85 117.00 135.00 1t6w n LEU 58 Ca 0.11 0.19 0.15 0.00 -0.02 0.00 0.00 56.01 56.43 1t6w n LEU 58 Cb 0.50 -1.16 0.69 0.00 -1.62 0.00 0.00 43.42 41.83 1t6w n LEU 58 CO 0.71 -3.36 0.96 0.00 -1.22 0.00 0.00 177.39 174.48 1t6w h ALA 59 N -1.79 1.05 -0.89 -1.18 0.00 -1.94 -2.82 119.26 111.69 1t6w h ALA 59 Ca -0.47 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 53.86 1t6w h ALA 59 Cb 1.31 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.81 1t6w h ALA 59 CO 0.37 0.10 0.66 0.27 0.00 0.00 0.00 179.25 180.64 1t6w n ASN 60 N -3.26 4.93 -3.24 0.00 0.23 -1.26 -4.85 115.26 107.81 1t6w n ASN 60 Ca -0.00 -3.51 -0.23 0.00 -0.53 0.00 0.00 54.58 50.31 1t6w n ASN 60 Cb 0.30 -0.87 0.04 0.00 -2.08 0.00 0.00 39.78 37.17 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 -0.87 -0.52 3.82 4.83 0.00 -1.06 -4.37 105.19 107.01 1t6w n GLY 61 Ca 0.55 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.86 4.98 -0.23 1.61 1.11 -1.25 -4.83 116.67 115.20 1t6w s ASP 62 Ca 0.40 -0.69 -0.06 0.00 0.18 0.00 0.00 52.55 52.38 1t6w s ASP 62 Cb -0.18 -0.75 -0.02 0.00 1.07 0.00 0.00 42.92 43.03 1t6w s ASP 62 CO 0.49 -0.44 0.03 -0.22 1.18 0.00 0.00 175.17 176.21 1t6w s LEU 63 N -3.98 3.31 -0.41 1.23 2.96 -1.21 -0.77 118.68 119.81 1t6w s LEU 63 Ca 0.42 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1t6w s LEU 63 Cb -0.03 -1.87 0.09 0.00 0.50 0.00 0.00 46.19 44.88 1t6w s LEU 63 CO 0.26 -0.00 0.22 -0.75 -1.32 0.00 0.00 176.35 174.76 1t6w s LYS 64 N 1.41 2.43 0.11 1.98 2.36 0.02 -1.69 119.74 126.36 1t6w s LYS 64 Ca 0.05 -1.55 -0.30 0.00 -2.55 0.00 0.00 55.97 51.62 1t6w s LYS 64 Cb -0.15 -3.68 -0.06 0.00 -1.05 0.00 0.00 37.83 32.90 1t6w s LYS 64 CO 0.02 -0.96 0.96 0.42 1.55 0.00 0.00 175.35 177.34 1t6w s ILE 65 N 1.33 4.50 -0.11 5.43 1.01 -0.47 -0.93 121.20 131.95 1t6w s ILE 65 Ca 0.04 2.06 -0.27 0.00 0.00 0.00 0.00 60.65 62.48 1t6w s ILE 65 Cb -0.23 -4.32 -0.27 0.00 0.01 0.00 0.00 42.46 37.65 1t6w s ILE 65 CO -0.00 0.31 0.83 0.50 0.00 0.00 0.00 174.94 176.58 1t6w h LYS 66 N 5.59 0.09 -2.47 2.79 3.64 -1.40 -3.31 116.57 121.50 1t6w h LYS 66 Ca -0.43 -0.14 -0.24 0.00 -1.27 0.00 0.00 60.65 58.57 1t6w h LYS 66 Cb 1.21 0.05 -0.33 0.00 -0.41 0.00 0.00 32.23 32.75 1t6w h LYS 66 CO 0.72 1.04 -0.56 -0.80 -2.27 0.00 0.00 179.45 177.59 1t6w s ASN 67 N -6.40 0.75 0.57 4.20 -0.87 -1.26 -4.28 114.94 107.66 1t6w s ASN 67 Ca -0.17 0.16 -0.19 0.00 -1.57 0.00 0.00 52.86 51.09 1t6w s ASN 67 Cb -0.02 0.68 -0.06 0.00 -0.02 0.00 0.00 41.25 41.83 1t6w s ASN 67 CO 0.73 -0.29 0.87 0.18 -2.57 0.00 0.00 177.10 176.02 1t6w n LEU 68 N 5.34 2.93 -3.70 0.60 4.77 -0.48 -4.61 117.00 121.85 1t6w n LEU 68 Ca -0.05 0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 56.64 1t6w n LEU 68 Cb 0.50 -1.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.20 1t6w n LEU 68 CO 0.06 -2.08 0.10 0.42 -1.33 0.00 0.00 177.39 174.55 1t6w s THR 69 N -1.53 0.08 0.13 -5.08 -4.23 -1.26 -1.07 115.64 102.68 1t6w s THR 69 Ca 0.73 -0.76 -0.29 0.00 -1.18 0.00 0.00 61.69 60.19 1t6w s THR 69 Cb -0.44 -1.25 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 1t6w s THR 69 CO 0.50 -0.38 1.59 0.03 -0.54 0.00 0.00 174.62 175.82 1t6w h ARG 70 N 2.45 -0.49 -0.04 3.99 -0.00 -1.95 0.15 114.38 118.50 1t6w h ARG 70 Ca -0.34 0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.19 1t6w h ARG 70 Cb 1.24 0.11 -0.00 0.00 0.00 0.00 0.00 29.97 31.32 1t6w h ARG 70 CO 0.49 -0.32 0.25 0.22 0.00 0.00 0.00 179.97 180.60 1t6w h ASP 71 N -0.50 0.00 1.44 7.04 3.58 -2.01 0.38 116.42 126.33 1t6w h ASP 71 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1t6w h ASP 71 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1t6w h ASP 71 CO -0.34 0.00 -0.10 -0.78 -2.88 0.00 0.00 179.24 175.14 1t6w h ASP 72 N 0.00 0.00 -3.34 2.28 3.58 -1.11 -3.45 116.42 114.39 1t6w h ASP 72 Ca 0.02 -0.03 -0.54 0.00 0.42 0.00 0.00 57.03 56.89 1t6w h ASP 72 Cb 0.51 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 1t6w h ASP 72 CO -0.00 0.02 0.45 -0.55 -2.88 0.00 0.00 179.24 176.27 1t6w s SER 73 N -4.67 7.30 0.00 2.28 0.15 0.13 -4.90 113.70 113.99 1t6w s SER 73 Ca 0.10 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.44 1t6w s SER 73 Cb 0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1t6w s SER 73 CO 0.62 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1t6w n GLY 74 N 3.00 -0.13 3.68 9.45 0.00 -0.39 -5.01 105.19 115.79 1t6w n GLY 74 Ca 0.07 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.65 5.13 0.05 2.61 2.01 -1.26 0.04 115.64 121.57 1t6w s THR 75 Ca 0.00 0.95 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1t6w s THR 75 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1t6w s THR 75 CO 0.00 0.22 0.17 -0.31 -0.69 0.00 0.00 174.62 174.01 1t6w s TYR 76 N 1.36 3.44 -0.09 4.92 1.51 0.28 -4.54 117.35 124.23 1t6w s TYR 76 Ca 0.24 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.53 1t6w s TYR 76 Cb -0.15 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1t6w s TYR 76 CO 0.10 0.58 -0.06 -0.80 -1.11 0.00 0.00 175.55 174.25 1t6w s ASN 77 N -2.36 1.81 -0.17 2.29 0.01 0.05 -1.05 114.94 115.53 1t6w s ASN 77 Ca 0.32 -0.23 -0.04 0.00 -0.71 0.00 0.00 52.86 52.19 1t6w s ASN 77 Cb -0.13 -0.70 -0.03 0.00 0.41 0.00 0.00 41.25 40.80 1t6w s ASN 77 CO 0.25 -0.10 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.02 1t6w s VAL 78 N 1.46 3.95 -0.44 1.60 1.01 -0.19 -1.17 120.40 126.63 1t6w s VAL 78 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1t6w s VAL 78 Cb -0.13 -2.75 0.12 0.00 0.00 0.00 0.00 36.38 33.62 1t6w s VAL 78 CO -0.04 0.48 0.23 -0.89 0.00 0.00 0.00 175.10 174.87 1t6w s THR 79 N 0.49 3.21 0.09 3.92 2.01 -0.67 -1.41 115.64 123.28 1t6w s THR 79 Ca -0.03 -2.31 -0.23 0.00 0.31 0.00 0.00 61.69 59.44 1t6w s THR 79 Cb -0.14 -3.20 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 1t6w s THR 79 CO 0.03 -0.72 0.70 -0.69 -0.69 0.00 0.00 174.62 173.24 1t6w s VAL 80 N 0.84 4.63 0.09 3.82 1.01 0.15 -2.80 120.40 128.14 1t6w s VAL 80 Ca 0.10 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1t6w s VAL 80 Cb -0.22 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1t6w s VAL 80 CO -0.04 0.48 -0.11 -0.31 0.00 0.00 0.00 175.10 175.11 1t6w s TYR 81 N -0.74 1.12 0.82 5.22 2.02 -1.08 -1.64 117.35 123.07 1t6w s TYR 81 Ca 0.34 -0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 56.39 1t6w s TYR 81 Cb -0.21 -0.61 0.17 0.00 -0.40 0.00 0.00 41.96 40.91 1t6w s TYR 81 CO 0.22 0.03 1.11 -1.13 -1.57 0.00 0.00 175.55 174.22 1t6w n SER 82 N 0.79 0.86 -0.03 2.29 3.41 -0.20 -1.66 113.62 119.08 1t6w n SER 82 Ca -0.18 -1.88 -0.03 0.00 -0.26 0.00 0.00 58.87 56.53 1t6w n SER 82 Cb 0.56 -0.78 0.21 0.00 -0.26 0.00 0.00 64.21 63.94 1t6w n SER 82 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1t6w h THR 83 N -1.05 1.24 0.00 6.66 1.35 -1.81 -2.05 112.91 117.25 1t6w h THR 83 Ca -0.36 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1t6w h THR 83 Cb 1.19 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1t6w h THR 83 CO 0.33 0.36 0.00 0.59 -0.25 0.00 0.00 175.52 176.55 1t6w n ASN 84 N -4.19 0.00 0.00 5.36 3.02 -1.26 -4.87 115.26 113.32 1t6w n ASN 84 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 1t6w n ASN 84 Cb 0.33 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6w n GLY 85 N 0.94 0.67 3.95 7.41 0.00 -0.77 -5.07 105.19 112.32 1t6w n GLY 85 Ca 0.16 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 5.12 -0.55 2.61 2.01 -1.26 -4.82 115.64 116.75 1t6w s THR 86 Ca 0.00 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 1t6w s THR 86 Cb 0.00 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1t6w s THR 86 CO 0.00 -0.52 1.24 -0.13 -0.69 0.00 0.00 174.62 174.52 1t6w s ARG 87 N -4.26 3.51 -0.12 4.92 0.52 -1.26 -1.03 118.95 121.23 1t6w s ARG 87 Ca 0.39 0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 55.82 1t6w s ARG 87 Cb -0.09 -4.02 -0.26 0.00 0.52 0.00 0.00 34.95 31.10 1t6w s ARG 87 CO 0.35 -1.68 0.48 0.82 0.02 0.00 0.00 175.30 175.28 1t6w h ILE 88 N 6.22 0.93 -2.23 1.52 1.08 -1.63 -3.48 117.51 119.93 1t6w h ILE 88 Ca -0.25 -2.36 -0.07 0.00 -0.39 0.00 0.00 64.86 61.78 1t6w h ILE 88 Cb 1.07 2.61 -0.19 0.00 -3.07 0.00 0.00 36.82 37.23 1t6w h ILE 88 CO 1.17 0.70 0.09 -0.22 -0.69 0.00 0.00 178.15 179.20 1t6w s LEU 89 N -7.48 -0.33 -0.18 1.44 0.20 -1.09 -5.01 118.68 106.24 1t6w s LEU 89 Ca -0.21 0.58 -0.05 0.00 0.69 0.00 0.00 54.13 55.14 1t6w s LEU 89 Cb 0.05 2.26 0.07 0.00 -0.43 0.00 0.00 46.19 48.14 1t6w s LEU 89 CO 0.75 -0.57 0.14 0.21 -0.29 0.00 0.00 176.35 176.58 1t6w s ASN 90 N -1.22 1.99 0.29 3.68 3.04 -1.26 0.32 114.94 121.79 1t6w s ASN 90 Ca -0.12 -0.47 0.10 0.00 0.04 0.00 0.00 52.86 52.41 1t6w s ASN 90 Cb -0.01 -0.01 -0.06 0.00 -1.54 0.00 0.00 41.25 39.63 1t6w s ASN 90 CO 0.09 -0.34 -0.14 -0.54 -3.04 0.00 0.00 177.10 173.12 1t6w s LYS 91 N 2.21 1.66 -0.09 0.43 -0.14 -0.50 -4.98 119.74 118.33 1t6w s LYS 91 Ca 0.04 -1.80 -0.04 0.00 -1.36 0.00 0.00 55.97 52.81 1t6w s LYS 91 Cb -0.16 -1.58 0.05 0.00 -1.68 0.00 0.00 37.83 34.46 1t6w s LYS 91 CO -0.10 0.21 0.18 0.00 -0.76 0.00 0.00 175.35 174.88 1t6w s ALA 92 N -2.67 -0.26 0.32 5.17 0.00 -1.26 -1.02 121.76 122.04 1t6w s ALA 92 Ca 0.30 0.66 0.10 0.00 0.00 0.00 0.00 51.96 53.02 1t6w s ALA 92 Cb -0.01 -0.79 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 1t6w s ALA 92 CO 0.14 -0.50 -0.13 -0.51 0.00 0.00 0.00 175.76 174.76 1t6w s LEU 93 N 2.10 2.68 -0.28 0.00 1.02 -0.21 -4.86 118.68 119.13 1t6w s LEU 93 Ca 0.00 -1.14 -0.05 0.00 0.02 0.00 0.00 54.13 52.97 1t6w s LEU 93 Cb -0.12 -1.03 0.02 0.00 0.02 0.00 0.00 46.19 45.09 1t6w s LEU 93 CO -0.06 -0.12 0.03 -1.81 0.02 0.00 0.00 176.35 174.40 1t6w s ASP 94 N -3.57 4.86 -0.48 2.29 1.01 -1.26 -0.56 116.67 118.96 1t6w s ASP 94 Ca 0.31 -0.83 -0.15 0.00 0.71 0.00 0.00 52.55 52.60 1t6w s ASP 94 Cb -0.00 -1.80 0.09 0.00 1.01 0.00 0.00 42.92 42.22 1t6w s ASP 94 CO 0.16 -0.18 0.41 -0.22 0.21 0.00 0.00 175.17 175.54 1t6w s LEU 95 N 1.42 5.72 -0.37 1.23 0.20 0.11 -0.38 118.68 126.61 1t6w s LEU 95 Ca 0.01 -1.48 -0.13 0.00 0.69 0.00 0.00 54.13 53.22 1t6w s LEU 95 Cb -0.17 -2.16 -0.00 0.00 -0.43 0.00 0.00 46.19 43.42 1t6w s LEU 95 CO -0.00 -0.69 0.26 -0.13 -0.29 0.00 0.00 176.35 175.50 1t6w s ARG 96 N 1.60 3.27 -0.29 1.98 1.81 -0.29 -1.26 118.95 125.77 1t6w s ARG 96 Ca 0.04 -0.80 -0.06 0.00 -1.72 0.00 0.00 55.73 53.18 1t6w s ARG 96 Cb -0.26 -3.85 0.01 0.00 -0.45 0.00 0.00 34.95 30.40 1t6w s ARG 96 CO 0.05 -0.56 0.06 0.42 -0.68 0.00 0.00 175.30 174.58 1t6w s ILE 97 N 1.69 3.80 0.83 1.52 1.01 -1.26 -1.29 121.20 127.50 1t6w s ILE 97 Ca 0.05 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 1t6w s ILE 97 Cb -0.18 -2.95 0.09 0.00 0.01 0.00 0.00 42.46 39.43 1t6w s ILE 97 CO 0.10 0.11 1.17 -0.76 0.00 0.00 0.00 174.94 175.56 1t6w s LEU 98 N 1.48 2.40 0.00 2.97 1.43 0.12 -4.77 118.68 122.31 1t6w s LEU 98 Ca 0.02 0.82 0.17 0.00 -1.03 0.00 0.00 54.13 54.12 1t6w s LEU 98 Cb -0.17 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 42.91 1t6w s LEU 98 CO 0.01 -2.04 1.05 -0.62 0.23 0.00 0.00 176.35 174.99