#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 0.94 -4.69 0.55 -0.08 -1.26 -5.05 116.55 106.96 1t6w n ASP 2 Ca 0.00 -2.15 -0.32 0.00 -1.51 0.00 0.00 54.79 50.80 1t6w n ASP 2 Cb 0.00 -0.31 0.14 0.00 2.34 0.00 0.00 41.12 43.30 1t6w n ASP 2 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1t6w s SER 3 N -1.97 3.34 0.00 1.67 0.15 -1.26 -4.75 113.70 110.88 1t6w s SER 3 Ca 0.30 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.20 1t6w s SER 3 Cb 0.34 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1t6w s SER 3 CO -0.14 -2.83 0.00 0.61 1.20 0.00 0.00 173.24 172.08 1t6w n GLY 4 N 0.25 3.16 3.41 9.45 0.00 -1.26 -5.08 105.19 115.12 1t6w n GLY 4 Ca 0.12 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1t6w n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 5 N -1.17 2.35 0.06 2.61 2.01 -1.26 -2.13 115.64 118.10 1t6w s THR 5 Ca 0.00 -1.72 0.06 0.00 0.31 0.00 0.00 61.69 60.34 1t6w s THR 5 Cb 0.00 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1t6w s THR 5 CO 0.00 0.09 -0.16 0.54 -0.69 0.00 0.00 174.62 174.40 1t6w s VAL 6 N -1.08 1.29 -0.10 3.82 0.11 -0.17 -4.97 120.40 119.30 1t6w s VAL 6 Ca 0.15 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.05 1t6w s VAL 6 Cb -0.10 -1.18 -0.00 0.00 -1.53 0.00 0.00 36.38 33.57 1t6w s VAL 6 CO 0.07 -0.03 -0.24 0.26 -3.33 0.00 0.00 175.10 171.82 1t6w s TRP 7 N -1.00 2.55 0.28 1.54 0.52 -1.26 -1.25 118.94 120.33 1t6w s TRP 7 Ca 0.02 -1.02 0.03 0.00 0.02 0.00 0.00 56.10 55.15 1t6w s TRP 7 Cb -0.09 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1t6w s TRP 7 CO 0.02 -0.40 0.30 0.41 0.02 0.00 0.00 176.95 177.30 1t6w n GLY 8 N 3.47 2.77 3.03 0.98 0.00 -0.12 -5.00 105.19 110.33 1t6w n GLY 8 Ca -0.19 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.91 1.09 0.18 4.61 0.00 -1.26 -0.03 121.76 123.45 1t6w s ALA 9 Ca 0.30 -0.41 -0.33 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 0.21 0.16 1.47 -0.11 0.00 0.00 0.00 175.76 177.49 1t6w n LEU 10 N 3.42 2.86 0.00 0.00 7.94 -0.57 -0.84 117.00 129.81 1t6w n LEU 10 Ca -0.20 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1t6w n LEU 10 Cb 0.53 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.09 1t6w n LEU 10 CO 0.25 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.64 1t6w n GLY 11 N 2.81 1.43 3.86 -3.96 0.00 -0.21 -4.83 105.19 104.29 1t6w n GLY 11 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.41 2.74 0.00 1.61 5.65 -0.02 -4.51 115.29 118.35 1t6w s HIS 12 Ca 0.00 -0.46 0.00 0.00 0.25 0.00 0.00 55.06 54.85 1t6w s HIS 12 Cb 0.00 -2.09 0.00 0.00 -1.18 0.00 0.00 32.58 29.31 1t6w s HIS 12 CO 0.00 -0.05 0.00 0.41 -0.65 0.00 0.00 174.74 174.45 1t6w n GLY 13 N -1.50 -1.94 0.00 1.59 0.00 -1.26 -1.16 105.19 100.93 1t6w n GLY 13 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.11 0.00 -4.56 -0.61 0.13 -1.22 -4.67 119.36 106.32 1t6w n ILE 14 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 62.75 61.33 1t6w n ILE 14 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.64 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 3.02 -0.57 9.51 2.15 -1.26 -1.47 116.67 128.04 1t6w s ASP 15 Ca 0.00 -0.58 -0.27 0.00 0.43 0.00 0.00 52.55 52.13 1t6w s ASP 15 Cb 0.00 -1.40 0.03 0.00 -0.30 0.00 0.00 42.92 41.26 1t6w s ASP 15 CO 0.00 0.06 1.11 -0.76 -0.17 0.00 0.00 175.17 175.41 1t6w s LEU 16 N 0.91 3.65 -0.21 -1.34 1.02 -0.77 -4.96 118.68 116.99 1t6w s LEU 16 Ca -0.05 -0.04 -0.19 0.00 0.02 0.00 0.00 54.13 53.86 1t6w s LEU 16 Cb -0.15 -3.05 -0.03 0.00 0.02 0.00 0.00 46.19 42.98 1t6w s LEU 16 CO -0.03 -1.40 0.56 -1.81 0.02 0.00 0.00 176.35 173.68 1t6w s ASP 17 N 2.93 6.58 -0.22 2.29 1.01 -1.26 -3.37 116.67 124.63 1t6w s ASP 17 Ca 0.39 0.71 -0.29 0.00 0.71 0.00 0.00 52.55 54.07 1t6w s ASP 17 Cb -0.09 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.54 1t6w s ASP 17 CO 0.23 -0.24 1.02 -0.63 0.21 0.00 0.00 175.17 175.77 1t6w s ILE 18 N 1.88 4.70 0.21 0.77 1.01 -1.26 -4.98 121.20 123.53 1t6w s ILE 18 Ca 0.25 2.00 -0.32 0.00 0.00 0.00 0.00 60.65 62.58 1t6w s ILE 18 Cb -0.16 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 37.90 1t6w s ILE 18 CO 0.10 -0.16 1.69 -2.65 0.00 0.00 0.00 174.94 173.92 1t6w n PRO 19 N 6.21 2.69 -3.84 2.79 -0.02 -1.26 -3.53 135.00 138.04 1t6w n PRO 19 Ca 0.11 0.97 -0.32 0.00 -2.02 0.00 0.00 63.50 62.24 1t6w n PRO 19 Cb 0.46 -2.80 0.01 0.00 -0.02 0.00 0.00 33.50 31.16 1t6w n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t6w n ASN 20 N 3.66 -4.83 -3.93 2.55 5.03 -1.26 -4.32 115.26 112.15 1t6w n ASN 20 Ca 0.15 -1.05 -0.10 0.00 0.87 0.00 0.00 54.58 54.45 1t6w n ASN 20 Cb 0.34 -2.10 -0.11 0.00 -1.02 0.00 0.00 39.78 36.89 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 -3.25 0.15 -0.10 3.10 5.36 -1.23 -4.83 117.98 117.19 1t6w s PHE 21 Ca 0.24 -0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 55.87 1t6w s PHE 21 Cb -0.12 -0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.49 1t6w s PHE 21 CO 0.91 -0.21 0.12 -0.65 -1.46 0.00 0.00 175.22 173.93 1t6w s GLN 22 N -1.29 0.01 -1.25 10.12 -0.21 -1.26 -5.01 119.66 120.77 1t6w s GLN 22 Ca -0.14 0.34 -0.20 0.00 0.02 0.00 0.00 55.36 55.38 1t6w s GLN 22 Cb -0.08 -0.74 0.01 0.00 1.00 0.00 0.00 33.01 33.20 1t6w s GLN 22 CO 0.00 -0.42 1.80 1.41 -2.12 0.00 0.00 175.29 175.96 1t6w s MET 23 N 2.22 3.45 0.32 2.91 -2.45 -1.26 -4.78 119.30 119.71 1t6w s MET 23 Ca 0.04 -1.68 0.03 0.00 -1.25 0.00 0.00 55.69 52.83 1t6w s MET 23 Cb -0.13 -5.43 0.03 0.00 1.25 0.00 0.00 34.83 30.55 1t6w s MET 23 CO -0.06 -2.87 0.23 0.25 1.05 0.00 0.00 175.02 173.63 1t6w n THR 24 N 6.91 0.00 0.00 10.11 -2.24 -1.26 -4.81 114.28 122.99 1t6w n THR 24 Ca 0.47 -1.27 0.09 0.00 -2.27 0.00 0.00 64.05 61.07 1t6w n THR 24 Cb 0.46 -0.22 0.50 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.39 0.34 -0.01 3.42 5.19 -2.03 -0.34 116.42 123.38 1t6w h ASP 25 Ca -0.20 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1t6w h ASP 25 Cb 0.74 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 1t6w h ASP 25 CO 0.32 0.22 0.01 0.44 -3.12 0.00 0.00 179.24 177.12 1t6w h ASP 26 N 0.39 0.00 -3.33 6.45 5.19 -1.95 -3.41 116.42 119.75 1t6w h ASP 26 Ca 0.19 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.05 1t6w h ASP 26 Cb 0.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1t6w h ASP 26 CO -0.04 0.00 0.46 -0.63 -3.12 0.00 0.00 179.24 175.91 1t6w s ILE 27 N -4.77 4.76 -0.12 0.35 -1.09 -0.14 -2.15 121.20 118.04 1t6w s ILE 27 Ca -0.05 1.99 -0.02 0.00 -2.23 0.00 0.00 60.65 60.34 1t6w s ILE 27 Cb 0.16 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.69 1t6w s ILE 27 CO 0.59 0.10 -0.12 -0.67 -1.23 0.00 0.00 174.94 173.60 1t6w n ASP 28 N 4.32 2.11 -3.87 3.58 2.03 0.18 -4.77 116.55 120.13 1t6w n ASP 28 Ca 0.07 0.03 -0.27 0.00 0.52 0.00 0.00 54.79 55.14 1t6w n ASP 28 Cb 0.50 -0.26 -0.17 0.00 -0.72 0.00 0.00 41.12 40.47 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 1.30 -0.29 -0.67 2.12 -1.05 0.11 118.70 118.00 1t6w s GLU 29 Ca -0.16 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 1t6w s GLU 29 Cb 0.05 -1.76 0.03 0.00 0.26 0.00 0.00 34.13 32.71 1t6w s GLU 29 CO 0.24 -0.38 0.01 0.08 -0.54 0.00 0.00 175.26 174.67 1t6w s VAL 30 N 1.72 3.32 -0.12 3.70 1.01 -0.55 -0.74 120.40 128.73 1t6w s VAL 30 Ca 0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1t6w s VAL 30 Cb -0.14 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1t6w s VAL 30 CO -0.08 0.03 -0.09 -0.13 0.00 0.00 0.00 175.10 174.84 1t6w s ARG 31 N 1.36 3.32 -0.70 2.72 0.52 -1.04 0.90 118.95 126.03 1t6w s ARG 31 Ca -0.01 -0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.59 1t6w s ARG 31 Cb -0.18 -2.71 0.18 0.00 0.52 0.00 0.00 34.95 32.76 1t6w s ARG 31 CO -0.01 0.34 0.53 -1.58 0.02 0.00 0.00 175.30 174.59 1t6w s TRP 32 N 0.07 3.53 0.04 -0.53 0.52 0.37 -1.70 118.94 121.24 1t6w s TRP 32 Ca -0.03 -2.91 0.00 0.00 0.02 0.00 0.00 56.10 53.19 1t6w s TRP 32 Cb -0.14 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 1t6w s TRP 32 CO 0.04 -0.77 0.14 -1.21 0.02 0.00 0.00 176.95 175.16 1t6w s GLU 33 N -0.59 3.19 -0.07 4.98 2.02 -0.37 -1.66 118.70 126.18 1t6w s GLU 33 Ca 0.21 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 1t6w s GLU 33 Cb -0.16 -2.92 0.04 0.00 0.10 0.00 0.00 34.13 31.19 1t6w s GLU 33 CO -0.07 0.62 0.06 0.50 0.02 0.00 0.00 175.26 176.39 1t6w s ARG 34 N -2.17 0.02 6.58 1.61 3.52 -0.77 -0.62 118.95 127.11 1t6w s ARG 34 Ca 0.29 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1t6w s ARG 34 Cb -0.12 -0.87 0.00 0.00 -1.56 0.00 0.00 34.95 32.39 1t6w s ARG 34 CO 0.21 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 1t6w n GLY 35 N 5.28 3.23 2.24 8.12 0.00 -1.26 -1.54 105.19 121.26 1t6w n GLY 35 Ca -0.04 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 9.27 5.23 -3.68 1.61 2.88 -1.26 -5.02 113.62 122.65 1t6w n SER 36 Ca 0.00 -3.75 -0.10 0.00 -1.33 0.00 0.00 58.87 53.69 1t6w n SER 36 Cb 0.00 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 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 -4.95 0.08 0.02 2.46 2.01 -0.59 -5.17 115.64 109.51 1t6w s THR 37 Ca 0.51 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 1t6w s THR 37 Cb 0.42 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1t6w s THR 37 CO -0.06 -0.38 0.12 -0.76 -0.69 0.00 0.00 174.62 172.84 1t6w s LEU 38 N -2.81 4.04 -0.02 4.42 1.43 -1.26 -1.85 118.68 122.63 1t6w s LEU 38 Ca 0.03 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1t6w s LEU 38 Cb 0.02 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1t6w s LEU 38 CO -0.12 0.24 -0.02 0.52 0.23 0.00 0.00 176.35 177.20 1t6w n VAL 39 N 0.91 0.12 -3.20 -1.59 0.31 -0.67 -4.64 118.33 109.57 1t6w n VAL 39 Ca -0.11 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.22 1t6w n VAL 39 Cb 0.52 -0.87 -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 -2.04 -2.79 -0.23 3.52 0.00 -1.17 -1.31 121.76 117.75 1t6w s ALA 40 Ca -0.03 1.72 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1t6w s ALA 40 Cb 0.01 -2.27 0.04 0.00 0.00 0.00 0.00 23.12 20.89 1t6w s ALA 40 CO 0.04 -1.32 -0.12 -1.21 0.00 0.00 0.00 175.76 173.15 1t6w s GLU 41 N 2.86 2.66 0.21 0.00 2.02 -0.54 -0.47 118.70 125.42 1t6w s GLU 41 Ca 0.08 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 54.04 1t6w s GLU 41 Cb -0.12 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 1t6w s GLU 41 CO -0.16 -0.40 0.31 0.12 0.02 0.00 0.00 175.26 175.14 1t6w s PHE 42 N 1.23 3.42 -0.18 1.61 2.19 0.26 -0.34 117.98 126.17 1t6w s PHE 42 Ca -0.02 0.02 -0.17 0.00 0.33 0.00 0.00 56.93 57.09 1t6w s PHE 42 Cb -0.17 -1.59 0.05 0.00 -1.31 0.00 0.00 43.02 40.00 1t6w s PHE 42 CO -0.07 0.48 0.48 0.15 1.83 0.00 0.00 175.22 178.08 1t6w s LYS 43 N -3.66 0.57 -0.73 10.12 1.02 -1.26 -1.49 119.74 124.31 1t6w s LYS 43 Ca 0.34 0.65 -0.24 0.00 0.02 0.00 0.00 55.97 56.73 1t6w s LYS 43 Cb -0.10 0.28 -0.15 0.00 -0.52 0.00 0.00 37.83 37.34 1t6w s LYS 43 CO 0.28 -0.07 2.41 0.54 -0.92 0.00 0.00 175.35 177.59 1t6w n ARG 44 N 2.77 0.61 0.00 1.68 5.12 0.30 -2.91 116.66 124.22 1t6w n ARG 44 Ca -0.14 -0.38 0.00 0.00 -1.93 0.00 0.00 57.85 55.40 1t6w n ARG 44 Cb 0.57 -3.10 0.00 0.00 -1.16 0.00 0.00 32.46 28.77 1t6w n ARG 44 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1t6w n LYS 45 N 8.46 0.00 -1.59 5.56 4.76 -1.26 -4.97 118.16 129.12 1t6w n LYS 45 Ca 0.48 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.50 1t6w n LYS 45 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1t6w n MET 46 N 0.00 1.28 -1.68 1.97 2.81 -1.15 -4.84 117.12 115.52 1t6w n MET 46 Ca 0.00 0.46 -0.45 0.00 -1.81 0.00 0.00 57.70 55.90 1t6w n MET 46 Cb 0.00 -1.94 -0.04 0.00 -0.71 0.00 0.00 33.22 30.53 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 0.33 2.45 -0.45 0.03 4.01 -1.26 -4.12 118.16 119.16 1t6w n LYS 47 Ca 0.10 0.89 -0.03 0.00 -0.51 0.00 0.00 58.31 58.75 1t6w n LYS 47 Cb 0.37 -2.73 0.02 0.00 -0.51 0.00 0.00 35.03 32.19 1t6w n LYS 47 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1t6w n PRO 48 N 4.96 0.08 -3.64 1.97 -0.04 -1.26 -4.81 135.00 132.26 1t6w n PRO 48 Ca 0.18 -0.28 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 1t6w n PRO 48 Cb 0.33 -0.14 -0.16 0.00 -0.04 0.00 0.00 33.50 33.49 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 -0.95 0.74 -0.40 0.54 5.36 0.54 -4.96 117.98 118.86 1t6w s PHE 49 Ca 0.09 -0.93 -0.16 0.00 -0.96 0.00 0.00 56.93 54.97 1t6w s PHE 49 Cb -0.00 -1.05 0.01 0.00 -0.34 0.00 0.00 43.02 41.64 1t6w s PHE 49 CO 0.06 -0.72 0.35 -0.51 -1.46 0.00 0.00 175.22 172.93 1t6w s LEU 50 N 1.95 4.89 0.19 6.12 1.43 -1.26 -1.47 118.68 130.53 1t6w s LEU 50 Ca 0.05 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.25 1t6w s LEU 50 Cb -0.16 -2.26 0.13 0.00 0.03 0.00 0.00 46.19 43.93 1t6w s LEU 50 CO -0.22 -0.46 1.58 0.50 0.23 0.00 0.00 176.35 177.97 1t6w h LYS 51 N 8.63 -0.13 -2.60 1.70 1.63 -1.46 -3.45 116.57 120.89 1t6w h LYS 51 Ca -0.28 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.63 1t6w h LYS 51 Cb 1.12 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.68 1t6w h LYS 51 CO 0.74 -0.09 0.38 -1.12 -3.45 0.00 0.00 179.45 175.91 1t6w s SER 52 N -5.21 -0.33 0.11 4.20 0.01 -1.26 -5.01 113.70 106.21 1t6w s SER 52 Ca -0.14 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 56.93 1t6w s SER 52 Cb 0.16 0.53 0.31 0.00 0.21 0.00 0.00 66.02 67.24 1t6w s SER 52 CO 0.69 -0.93 1.08 0.61 0.41 0.00 0.00 173.24 175.10 1t6w n GLY 53 N -0.39 -0.50 0.00 3.44 0.00 -1.26 -1.35 105.19 105.13 1t6w n GLY 53 Ca -0.09 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.47 2.38 -2.42 4.61 0.00 -1.26 -4.77 120.51 117.58 1t6w n ALA 54 Ca -0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1t6w n ALA 54 Cb 0.15 -1.31 -0.11 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 -2.00 1.18 -0.21 0.00 0.08 -0.46 -1.06 117.98 115.51 1t6w s PHE 55 Ca 0.29 -0.67 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 1t6w s PHE 55 Cb 0.13 -0.62 0.09 0.00 -0.57 0.00 0.00 43.02 42.05 1t6w s PHE 55 CO 0.22 0.05 0.43 -2.00 -0.10 0.00 0.00 175.22 173.82 1t6w s GLU 56 N -3.03 0.34 -0.67 0.44 2.12 -0.17 -4.91 118.70 112.81 1t6w s GLU 56 Ca 0.09 1.04 -0.27 0.00 0.36 0.00 0.00 54.97 56.19 1t6w s GLU 56 Cb -0.02 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.71 1t6w s GLU 56 CO 0.01 -0.26 1.56 -1.50 -0.54 0.00 0.00 175.26 174.52 1t6w s ILE 57 N 2.63 3.55 1.07 -3.70 2.07 -1.26 -0.64 121.20 124.92 1t6w s ILE 57 Ca -0.01 0.32 -0.18 0.00 -1.41 0.00 0.00 60.65 59.37 1t6w s ILE 57 Cb -0.12 -4.43 0.06 0.00 0.13 0.00 0.00 42.46 38.09 1t6w s ILE 57 CO -0.13 -1.38 -0.09 0.18 -1.91 0.00 0.00 174.94 171.61 1t6w n LEU 58 N 10.98 -2.11 0.24 8.50 4.32 0.55 -4.81 117.00 134.67 1t6w n LEU 58 Ca 0.12 -0.02 0.11 0.00 -0.02 0.00 0.00 56.01 56.20 1t6w n LEU 58 Cb 0.50 -0.95 0.60 0.00 -1.62 0.00 0.00 43.42 41.95 1t6w n LEU 58 CO 0.71 -3.23 0.89 0.00 -1.22 0.00 0.00 177.39 174.54 1t6w h ALA 59 N -1.84 1.16 -0.83 -1.18 0.00 -1.94 -2.77 119.26 111.87 1t6w h ALA 59 Ca -0.50 -0.16 -0.47 0.00 0.00 0.00 0.00 54.91 53.78 1t6w h ALA 59 Cb 1.35 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.86 1t6w h ALA 59 CO 0.35 0.22 0.60 0.27 0.00 0.00 0.00 179.25 180.70 1t6w n ASN 60 N -3.54 4.77 -2.85 0.00 0.23 -1.26 -4.72 115.26 107.90 1t6w n ASN 60 Ca -0.01 -3.40 -0.21 0.00 -0.53 0.00 0.00 54.58 50.43 1t6w n ASN 60 Cb 0.33 -0.85 0.02 0.00 -2.08 0.00 0.00 39.78 37.19 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 3.94 4.83 0.00 -1.04 -4.18 105.19 107.47 1t6w n GLY 61 Ca 0.50 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.47 5.70 -0.24 1.61 2.15 -1.25 -4.87 116.67 117.29 1t6w s ASP 62 Ca 0.21 -0.32 -0.08 0.00 0.43 0.00 0.00 52.55 52.80 1t6w s ASP 62 Cb -0.10 -1.11 -0.03 0.00 -0.30 0.00 0.00 42.92 41.38 1t6w s ASP 62 CO 0.26 -0.42 0.08 -0.22 -0.17 0.00 0.00 175.17 174.70 1t6w s LEU 63 N -4.11 3.55 -0.35 -1.34 2.96 -1.22 -0.33 118.68 117.84 1t6w s LEU 63 Ca 0.44 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.12 1t6w s LEU 63 Cb -0.08 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.69 1t6w s LEU 63 CO 0.29 -0.01 0.14 -0.75 -1.32 0.00 0.00 176.35 174.70 1t6w s LYS 64 N 1.45 2.70 0.03 1.98 2.36 0.19 -1.84 119.74 126.60 1t6w s LYS 64 Ca 0.06 -1.14 -0.18 0.00 -2.55 0.00 0.00 55.97 52.15 1t6w s LYS 64 Cb -0.15 -3.54 -0.06 0.00 -1.05 0.00 0.00 37.83 33.03 1t6w s LYS 64 CO 0.04 -0.67 0.53 0.42 1.55 0.00 0.00 175.35 177.22 1t6w s ILE 65 N 1.45 4.88 -0.17 5.43 1.01 -0.54 -1.00 121.20 132.25 1t6w s ILE 65 Ca -0.00 1.11 -0.06 0.00 0.00 0.00 0.00 60.65 61.69 1t6w s ILE 65 Cb -0.19 -3.85 -0.22 0.00 0.01 0.00 0.00 42.46 38.20 1t6w s ILE 65 CO 0.04 0.52 0.16 1.17 0.00 0.00 0.00 174.94 176.82 1t6w n LYS 66 N 2.09 0.70 -3.58 2.79 4.81 -0.23 -3.41 118.16 121.33 1t6w n LYS 66 Ca -0.10 0.27 -0.27 0.00 -0.87 0.00 0.00 58.31 57.34 1t6w n LYS 66 Cb 0.51 -1.65 -0.16 0.00 0.02 0.00 0.00 35.03 33.75 1t6w n LYS 66 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1t6w s ASN 67 N -6.91 2.67 0.46 3.14 2.47 -1.26 -4.00 114.94 111.50 1t6w s ASN 67 Ca -0.27 -0.80 -0.24 0.00 0.42 0.00 0.00 52.86 51.96 1t6w s ASN 67 Cb 0.08 -0.25 -0.08 0.00 -1.45 0.00 0.00 41.25 39.54 1t6w s ASN 67 CO 0.69 -0.38 1.27 0.18 -3.72 0.00 0.00 177.10 175.15 1t6w n LEU 68 N 5.27 4.33 -3.94 3.21 4.77 -0.31 -4.65 117.00 125.69 1t6w n LEU 68 Ca -0.07 1.06 -0.08 0.00 -0.03 0.00 0.00 56.01 56.90 1t6w n LEU 68 Cb 0.47 -1.51 -0.08 0.00 -2.33 0.00 0.00 43.42 39.96 1t6w n LEU 68 CO 0.08 -0.69 -0.19 0.42 -1.33 0.00 0.00 177.39 175.67 1t6w s THR 69 N -1.24 0.17 0.13 -5.08 -4.23 -1.26 -1.05 115.64 103.08 1t6w s THR 69 Ca 0.64 -1.38 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 1t6w s THR 69 Cb -0.48 -1.36 -0.06 0.00 1.34 0.00 0.00 72.50 71.94 1t6w s THR 69 CO 0.56 -0.76 1.59 0.03 -0.54 0.00 0.00 174.62 175.50 1t6w h ARG 70 N 2.96 -0.48 -0.11 3.99 -0.00 -1.95 0.14 114.38 118.93 1t6w h ARG 70 Ca -0.34 0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.20 1t6w h ARG 70 Cb 1.18 0.11 -0.00 0.00 0.00 0.00 0.00 29.97 31.25 1t6w h ARG 70 CO 0.59 -0.32 0.31 0.38 0.00 0.00 0.00 179.97 180.93 1t6w h ASP 71 N -0.50 0.00 1.40 7.04 3.04 -2.01 0.47 116.42 125.86 1t6w h ASP 71 Ca 0.07 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1t6w h ASP 71 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 1t6w h ASP 71 CO -0.34 0.00 0.00 -0.67 -2.04 0.00 0.00 179.24 176.19 1t6w n ASP 72 N -3.18 0.75 -4.71 4.15 2.03 0.46 -4.78 116.55 111.28 1t6w n ASP 72 Ca 0.00 0.58 -0.42 0.00 0.52 0.00 0.00 54.79 55.47 1t6w n ASP 72 Cb 0.39 -0.78 -0.03 0.00 -0.72 0.00 0.00 41.12 39.99 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 7.31 0.00 1.67 0.15 0.17 -4.90 113.70 113.69 1t6w s SER 73 Ca 0.10 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1t6w s SER 73 Cb 0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1t6w s SER 73 CO 0.58 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1t6w n GLY 74 N 2.96 -0.08 3.69 9.45 0.00 -0.37 -5.02 105.19 115.83 1t6w n GLY 74 Ca 0.06 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.77 5.20 -0.17 2.61 2.01 -1.26 -0.07 115.64 121.19 1t6w s THR 75 Ca 0.00 0.75 -0.07 0.00 0.31 0.00 0.00 61.69 62.68 1t6w s THR 75 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1t6w s THR 75 CO 0.00 0.28 0.05 -0.31 -0.69 0.00 0.00 174.62 173.95 1t6w s TYR 76 N 1.10 3.23 -0.17 4.92 1.51 0.16 -4.42 117.35 123.68 1t6w s TYR 76 Ca 0.20 0.05 -0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1t6w s TYR 76 Cb -0.15 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1t6w s TYR 76 CO 0.08 0.17 -0.09 -0.80 -1.11 0.00 0.00 175.55 173.80 1t6w s ASN 77 N 0.24 4.19 -0.15 2.29 0.01 0.21 -0.83 114.94 120.89 1t6w s ASN 77 Ca 0.03 -0.34 -0.04 0.00 -0.71 0.00 0.00 52.86 51.81 1t6w s ASN 77 Cb -0.12 -1.68 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 1t6w s ASN 77 CO 0.01 0.09 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.95 1t6w s VAL 78 N 0.81 3.86 -0.41 1.60 1.01 0.51 -1.24 120.40 126.54 1t6w s VAL 78 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1t6w s VAL 78 Cb -0.15 -2.69 0.11 0.00 0.00 0.00 0.00 36.38 33.66 1t6w s VAL 78 CO 0.01 0.50 0.17 -0.89 0.00 0.00 0.00 175.10 174.89 1t6w s THR 79 N 0.35 2.90 -0.21 3.92 2.01 -0.69 -1.23 115.64 122.69 1t6w s THR 79 Ca -0.04 -2.34 -0.18 0.00 0.31 0.00 0.00 61.69 59.43 1t6w s THR 79 Cb -0.14 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1t6w s THR 79 CO 0.03 -0.68 0.52 -0.69 -0.69 0.00 0.00 174.62 173.11 1t6w s VAL 80 N 0.84 5.09 0.16 3.82 1.01 0.13 -2.50 120.40 128.95 1t6w s VAL 80 Ca 0.11 0.95 0.09 0.00 0.00 0.00 0.00 61.98 63.13 1t6w s VAL 80 Cb -0.21 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1t6w s VAL 80 CO -0.05 0.16 -0.16 -0.31 0.00 0.00 0.00 175.10 174.73 1t6w s TYR 81 N 1.78 2.52 0.66 5.22 2.02 0.08 0.38 117.35 130.02 1t6w s TYR 81 Ca 0.24 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 1t6w s TYR 81 Cb -0.15 -1.28 0.08 0.00 -0.40 0.00 0.00 41.96 40.21 1t6w s TYR 81 CO 0.09 0.46 0.93 -1.54 -1.57 0.00 0.00 175.55 173.92 1t6w s SER 82 N -2.53 4.77 0.63 2.29 1.04 -0.20 -0.65 113.70 119.04 1t6w s SER 82 Ca 0.21 -0.02 0.34 0.00 0.48 0.00 0.00 55.95 56.96 1t6w s SER 82 Cb -0.09 -0.61 1.90 0.00 0.10 0.00 0.00 66.02 67.32 1t6w s SER 82 CO 0.12 -1.56 2.15 0.71 0.98 0.00 0.00 173.24 175.64 1t6w h THR 83 N -0.35 0.23 -0.68 2.02 1.35 -1.74 0.61 112.91 114.35 1t6w h THR 83 Ca -0.41 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.19 1t6w h THR 83 Cb 1.29 0.86 -0.16 0.00 -1.73 0.00 0.00 68.15 68.40 1t6w h THR 83 CO 0.49 0.00 0.34 -3.20 -0.25 0.00 0.00 175.52 172.90 1t6w n ASN 84 N -3.38 4.04 -1.98 5.36 2.85 -1.26 -4.88 115.26 116.02 1t6w n ASN 84 Ca -0.01 -3.10 -0.15 0.00 -0.11 0.00 0.00 54.58 51.22 1t6w n ASN 84 Cb 0.25 -0.73 -0.03 0.00 1.24 0.00 0.00 39.78 40.51 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 -0.35 0.35 3.92 8.20 0.00 0.21 -4.94 105.19 112.57 1t6w n GLY 85 Ca 0.39 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.51 5.07 -0.53 2.61 2.01 -1.25 -4.83 115.64 116.21 1t6w s THR 86 Ca 0.00 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 1t6w s THR 86 Cb 0.00 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.75 1t6w s THR 86 CO 0.00 -0.40 1.23 -0.13 -0.69 0.00 0.00 174.62 174.63 1t6w s ARG 87 N -3.82 3.55 0.00 4.92 0.52 -1.26 -1.03 118.95 121.82 1t6w s ARG 87 Ca 0.42 0.44 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 1t6w s ARG 87 Cb -0.10 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1t6w s ARG 87 CO 0.32 -1.62 0.00 -0.89 0.02 0.00 0.00 175.30 173.13 1t6w n ILE 88 N 6.80 0.00 -3.74 1.52 5.41 0.16 -4.93 119.36 124.57 1t6w n ILE 88 Ca 0.11 0.46 -0.15 0.00 1.00 0.00 0.00 62.75 64.17 1t6w n ILE 88 Cb 0.49 -1.40 -0.16 0.00 -0.71 0.00 0.00 39.64 37.86 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1t6w s LEU 89 N -3.90 0.77 -0.33 1.39 0.20 -0.92 -4.99 118.68 110.89 1t6w s LEU 89 Ca 0.00 0.15 -0.01 0.00 0.69 0.00 0.00 54.13 54.96 1t6w s LEU 89 Cb 0.00 0.09 0.07 0.00 -0.43 0.00 0.00 46.19 45.92 1t6w s LEU 89 CO 0.00 -0.16 0.05 0.21 -0.29 0.00 0.00 176.35 176.17 1t6w s ASN 90 N 1.32 4.97 0.31 3.68 3.04 -1.26 -0.70 114.94 126.30 1t6w s ASN 90 Ca -0.07 -1.54 0.10 0.00 0.04 0.00 0.00 52.86 51.39 1t6w s ASN 90 Cb -0.12 -1.73 -0.05 0.00 -1.54 0.00 0.00 41.25 37.80 1t6w s ASN 90 CO -0.04 -0.34 -0.07 -0.54 -3.04 0.00 0.00 177.10 173.06 1t6w s LYS 91 N 1.19 1.95 -0.10 0.43 -0.14 -0.36 -4.96 119.74 117.75 1t6w s LYS 91 Ca -0.00 -1.72 -0.04 0.00 -1.36 0.00 0.00 55.97 52.84 1t6w s LYS 91 Cb -0.20 -1.89 0.05 0.00 -1.68 0.00 0.00 37.83 34.11 1t6w s LYS 91 CO -0.03 0.24 0.20 0.00 -0.76 0.00 0.00 175.35 175.01 1t6w s ALA 92 N -2.49 -0.33 0.29 5.17 0.00 -1.26 -0.36 121.76 122.77 1t6w s ALA 92 Ca 0.32 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.11 1t6w s ALA 92 Cb -0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 1t6w s ALA 92 CO 0.18 -0.56 -0.09 -0.51 0.00 0.00 0.00 175.76 174.78 1t6w s LEU 93 N 2.25 2.88 -0.32 0.00 1.02 -0.01 -4.62 118.68 119.87 1t6w s LEU 93 Ca 0.01 -0.89 -0.07 0.00 0.02 0.00 0.00 54.13 53.20 1t6w s LEU 93 Cb -0.12 -1.36 0.03 0.00 0.02 0.00 0.00 46.19 44.76 1t6w s LEU 93 CO -0.07 -0.04 0.10 -1.81 0.02 0.00 0.00 176.35 174.55 1t6w s ASP 94 N -3.61 5.24 -0.49 2.29 1.11 -0.91 -0.67 116.67 119.63 1t6w s ASP 94 Ca 0.31 -0.94 -0.14 0.00 0.18 0.00 0.00 52.55 51.97 1t6w s ASP 94 Cb -0.04 -1.88 0.11 0.00 1.07 0.00 0.00 42.92 42.18 1t6w s ASP 94 CO 0.18 -0.27 0.41 -0.22 1.18 0.00 0.00 175.17 176.45 1t6w s LEU 95 N 1.45 5.83 -0.28 1.23 0.20 0.90 -1.00 118.68 127.01 1t6w s LEU 95 Ca 0.00 -1.67 -0.13 0.00 0.69 0.00 0.00 54.13 53.03 1t6w s LEU 95 Cb -0.18 -2.13 -0.04 0.00 -0.43 0.00 0.00 46.19 43.40 1t6w s LEU 95 CO 0.03 -0.73 0.26 -0.13 -0.29 0.00 0.00 176.35 175.49 1t6w s ARG 96 N 1.54 3.96 -0.23 1.98 1.81 -0.38 -1.23 118.95 126.39 1t6w s ARG 96 Ca 0.04 -0.19 -0.03 0.00 -1.72 0.00 0.00 55.73 53.82 1t6w s ARG 96 Cb -0.27 -3.66 0.00 0.00 -0.45 0.00 0.00 34.95 30.57 1t6w s ARG 96 CO 0.03 -0.23 -0.04 0.42 -0.68 0.00 0.00 175.30 174.80 1t6w s ILE 97 N 1.88 3.24 -0.13 1.52 1.01 -1.26 -0.94 121.20 126.52 1t6w s ILE 97 Ca 0.10 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1t6w s ILE 97 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1t6w s ILE 97 CO 0.11 0.34 1.54 -0.76 0.00 0.00 0.00 174.94 176.17 1t6w s LEU 98 N 1.43 4.17 0.00 2.97 1.43 0.96 -4.78 118.68 124.87 1t6w s LEU 98 Ca 0.04 1.93 0.20 0.00 -1.03 0.00 0.00 54.13 55.27 1t6w s LEU 98 Cb -0.15 -3.53 1.19 0.00 0.03 0.00 0.00 46.19 43.72 1t6w s LEU 98 CO -0.04 -0.97 1.57 -0.62 0.23 0.00 0.00 176.35 176.53