#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 5.73 -0.14 6.15 -1.08 -1.26 -5.03 116.67 121.04 1t6w s ASP 2 Ca 0.00 -0.57 -0.34 0.00 -0.52 0.00 0.00 52.55 51.12 1t6w s ASP 2 Cb 0.00 -2.05 0.14 0.00 -1.46 0.00 0.00 42.92 39.55 1t6w s ASP 2 CO 0.00 -0.24 1.32 -0.94 0.52 0.00 0.00 175.17 175.83 1t6w s SER 3 N 1.64 -0.06 0.67 -0.34 1.04 -1.26 -4.67 113.70 110.73 1t6w s SER 3 Ca 0.05 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1t6w s SER 3 Cb -0.17 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1t6w s SER 3 CO 0.08 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1t6w n GLY 4 N -0.28 0.68 3.50 7.32 0.00 -1.26 -4.80 105.19 110.35 1t6w n GLY 4 Ca -0.03 -0.75 -0.45 0.00 0.00 0.00 0.00 46.02 44.78 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 1.96 -4.12 2.61 -1.04 -1.25 -3.90 114.28 108.54 1t6w n THR 5 Ca 0.00 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.36 1t6w n THR 5 Cb 0.00 -0.57 -0.12 0.00 -1.82 0.00 0.00 70.33 67.82 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 -1.09 0.78 -0.13 12.58 0.11 0.91 -4.89 120.40 128.67 1t6w s VAL 6 Ca 0.61 -1.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 1t6w s VAL 6 Cb -0.77 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1t6w s VAL 6 CO 0.58 -0.29 -0.19 0.26 -3.33 0.00 0.00 175.10 172.13 1t6w s TRP 7 N -1.28 2.69 0.34 1.54 0.52 -1.26 -1.01 118.94 120.48 1t6w s TRP 7 Ca -0.06 -1.08 -0.05 0.00 0.02 0.00 0.00 56.10 54.93 1t6w s TRP 7 Cb -0.10 -1.81 0.01 0.00 -1.15 0.00 0.00 33.47 30.42 1t6w s TRP 7 CO 0.01 -0.47 0.51 0.20 0.02 0.00 0.00 176.95 177.22 1t6w s GLY 8 N 0.62 1.28 -0.05 0.98 0.00 -0.43 -5.01 107.32 104.71 1t6w s GLY 8 Ca -0.10 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.29 1t6w s GLY 8 CO 0.03 -0.89 -0.20 0.00 0.00 0.00 0.00 173.10 172.03 1t6w s ALA 9 N -3.05 1.79 0.22 3.20 0.00 -1.26 0.11 121.76 122.76 1t6w s ALA 9 Ca 0.28 -0.84 -0.32 0.00 0.00 0.00 0.00 51.96 51.08 1t6w s ALA 9 Cb -0.01 -0.57 -0.14 0.00 0.00 0.00 0.00 23.12 22.40 1t6w s ALA 9 CO 0.18 0.34 1.35 -0.11 0.00 0.00 0.00 175.76 177.52 1t6w n LEU 10 N 3.04 2.71 0.00 0.00 7.94 -0.57 -0.96 117.00 129.16 1t6w n LEU 10 Ca -0.18 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 1t6w n LEU 10 Cb 0.53 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.10 1t6w n LEU 10 CO 0.25 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.45 1t6w n GLY 11 N 2.14 1.46 3.86 -3.96 0.00 -0.04 -4.80 105.19 103.85 1t6w n GLY 11 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.99 2.75 0.68 1.61 5.65 -0.13 -4.51 115.29 118.35 1t6w s HIS 12 Ca 0.00 -0.45 -0.11 0.00 0.25 0.00 0.00 55.06 54.75 1t6w s HIS 12 Cb 0.00 -2.05 -0.00 0.00 -1.18 0.00 0.00 32.58 29.35 1t6w s HIS 12 CO 0.00 -0.02 1.07 0.20 -0.65 0.00 0.00 174.74 175.34 1t6w s GLY 13 N -4.07 1.65 -0.30 1.59 0.00 -1.26 -1.44 107.32 103.49 1t6w s GLY 13 Ca 0.46 -0.16 -0.24 0.00 0.00 0.00 0.00 44.72 44.78 1t6w s GLY 13 CO 0.27 0.17 1.34 -1.50 0.00 0.00 0.00 173.10 173.38 1t6w s ILE 14 N -3.22 0.00 -0.10 0.90 1.10 -1.20 -4.82 121.20 113.87 1t6w s ILE 14 Ca 0.57 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.74 1t6w s ILE 14 Cb -0.12 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.50 1t6w s ILE 14 CO 0.53 0.00 -0.18 -0.62 -2.11 0.00 0.00 174.94 172.57 1t6w s ASP 15 N 0.21 2.52 -0.13 4.50 -1.08 -1.26 -1.13 116.67 120.30 1t6w s ASP 15 Ca 0.05 -0.45 -0.28 0.00 -0.52 0.00 0.00 52.55 51.35 1t6w s ASP 15 Cb -0.05 -1.15 -0.01 0.00 -1.46 0.00 0.00 42.92 40.25 1t6w s ASP 15 CO -0.13 0.07 0.93 -0.76 0.52 0.00 0.00 175.17 175.80 1t6w s LEU 16 N 0.66 4.23 -0.23 -1.34 2.01 -0.75 -4.96 118.68 118.30 1t6w s LEU 16 Ca -0.13 1.39 -0.08 0.00 0.01 0.00 0.00 54.13 55.32 1t6w s LEU 16 Cb -0.16 -3.42 -0.04 0.00 0.01 0.00 0.00 46.19 42.58 1t6w s LEU 16 CO 0.03 -0.41 0.09 -1.81 1.01 0.00 0.00 176.35 175.26 1t6w s ASP 17 N 1.10 5.49 -0.24 2.29 1.01 -1.26 -3.41 116.67 121.65 1t6w s ASP 17 Ca 0.44 -0.05 -0.27 0.00 0.71 0.00 0.00 52.55 53.38 1t6w s ASP 17 Cb -0.18 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1t6w s ASP 17 CO 0.16 0.05 0.95 -0.63 0.21 0.00 0.00 175.17 175.91 1t6w s ILE 18 N 1.11 4.74 0.23 0.77 1.01 -1.26 -4.38 121.20 123.42 1t6w s ILE 18 Ca 0.05 1.83 -0.32 0.00 0.00 0.00 0.00 60.65 62.21 1t6w s ILE 18 Cb -0.14 -4.23 -0.12 0.00 0.01 0.00 0.00 42.46 37.98 1t6w s ILE 18 CO 0.04 -0.14 1.70 -2.65 0.00 0.00 0.00 174.94 173.89 1t6w n PRO 19 N 6.20 2.79 -3.84 2.79 -0.02 -1.26 -3.57 135.00 138.08 1t6w n PRO 19 Ca 0.09 1.00 -0.32 0.00 -2.02 0.00 0.00 63.50 62.25 1t6w n PRO 19 Cb 0.47 -2.84 0.01 0.00 -0.02 0.00 0.00 33.50 31.12 1t6w n PRO 19 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1t6w n ASN 20 N 3.58 -4.82 -3.92 2.55 5.15 -1.26 -4.99 115.26 111.54 1t6w n ASN 20 Ca 0.14 -1.05 -0.10 0.00 -0.60 0.00 0.00 54.58 52.98 1t6w n ASN 20 Cb 0.35 -2.07 -0.11 0.00 -0.53 0.00 0.00 39.78 37.42 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1t6w s PHE 21 N -3.24 0.14 -0.08 1.20 5.36 -1.23 -5.08 117.98 115.05 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 0.00 175.22 173.86 1t6w s GLN 22 N -1.30 0.13 -1.22 10.12 1.11 -1.26 -5.01 119.66 122.23 1t6w s GLN 22 Ca -0.14 0.19 -0.17 0.00 0.01 0.00 0.00 55.36 55.25 1t6w s GLN 22 Cb -0.08 -0.94 0.10 0.00 -1.01 0.00 0.00 33.01 31.07 1t6w s GLN 22 CO 0.00 -0.41 1.58 1.41 0.01 0.00 0.00 175.29 177.89 1t6w s MET 23 N 2.11 3.95 0.16 2.91 1.75 -1.26 -4.77 119.30 124.14 1t6w s MET 23 Ca 0.04 -2.04 0.00 0.00 -1.25 0.00 0.00 55.69 52.44 1t6w s MET 23 Cb -0.13 -5.35 0.00 0.00 2.84 0.00 0.00 34.83 32.19 1t6w s MET 23 CO -0.05 -2.09 0.03 0.25 -0.65 0.00 0.00 175.02 172.52 1t6w n THR 24 N 5.91 0.00 0.10 10.11 -2.24 -1.26 -4.75 114.28 122.14 1t6w n THR 24 Ca 0.42 -0.73 0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1t6w n THR 24 Cb 0.46 0.02 0.65 0.00 -2.10 0.00 0.00 70.33 69.36 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 0.34 0.04 -0.01 3.42 3.32 -2.02 0.34 116.42 121.86 1t6w h ASP 25 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1t6w h ASP 25 Cb 0.40 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1t6w h ASP 25 CO 0.21 0.03 0.02 -0.78 -1.72 0.00 0.00 179.24 176.99 1t6w h ASP 26 N 0.05 0.00 -3.35 6.45 3.58 -1.95 -3.41 116.42 117.80 1t6w h ASP 26 Ca 0.15 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.03 1t6w h ASP 26 Cb 0.53 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 1t6w h ASP 26 CO -0.01 0.00 0.24 -0.63 -2.88 0.00 0.00 179.24 175.96 1t6w s ILE 27 N -4.56 4.96 -0.12 2.25 -1.09 0.11 -3.00 121.20 119.75 1t6w s ILE 27 Ca -0.05 1.58 -0.02 0.00 -2.23 0.00 0.00 60.65 59.94 1t6w s ILE 27 Cb 0.15 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 1t6w s ILE 27 CO 0.53 0.15 -0.12 -0.67 -1.23 0.00 0.00 174.94 173.59 1t6w n ASP 28 N 4.37 2.24 -3.94 3.58 2.03 -0.62 -4.85 116.55 119.37 1t6w n ASP 28 Ca 0.02 0.02 -0.28 0.00 0.52 0.00 0.00 54.79 55.07 1t6w n ASP 28 Cb 0.50 -0.25 -0.17 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 -2.23 1.73 0.04 -0.67 2.12 -1.05 -1.56 118.70 117.07 1t6w s GLU 29 Ca -0.16 -0.44 0.09 0.00 0.36 0.00 0.00 54.97 54.81 1t6w s GLU 29 Cb 0.05 -1.89 -0.03 0.00 0.26 0.00 0.00 34.13 32.52 1t6w s GLU 29 CO 0.25 -0.32 -0.24 0.08 -0.54 0.00 0.00 175.26 174.49 1t6w s VAL 30 N 1.61 2.29 -0.12 3.70 1.01 -0.81 -0.76 120.40 127.32 1t6w s VAL 30 Ca 0.03 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.61 1t6w s VAL 30 Cb -0.14 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1t6w s VAL 30 CO -0.09 0.37 0.30 0.00 0.00 0.00 0.00 175.10 175.68 1t6w s ARG 31 N -1.26 0.28 -0.72 2.72 1.70 -1.15 0.18 118.95 120.71 1t6w s ARG 31 Ca 0.12 0.56 -0.07 0.00 -0.47 0.00 0.00 55.73 55.88 1t6w s ARG 31 Cb -0.10 -0.03 0.19 0.00 -0.57 0.00 0.00 34.95 34.44 1t6w s ARG 31 CO 0.03 -0.13 0.58 -1.58 -1.08 0.00 0.00 175.30 173.12 1t6w s TRP 32 N 1.03 3.56 0.03 5.89 0.52 0.63 -2.12 118.94 128.48 1t6w s TRP 32 Ca -0.07 -2.51 -0.04 0.00 0.02 0.00 0.00 56.10 53.50 1t6w s TRP 32 Cb -0.08 -3.41 -0.05 0.00 -1.15 0.00 0.00 33.47 28.78 1t6w s TRP 32 CO -0.07 -0.88 0.25 -1.21 0.02 0.00 0.00 176.95 175.05 1t6w s GLU 33 N -0.11 3.52 -0.08 4.98 2.02 -0.31 -1.39 118.70 127.33 1t6w s GLU 33 Ca 0.18 -0.20 -0.03 0.00 0.02 0.00 0.00 54.97 54.94 1t6w s GLU 33 Cb -0.16 -3.05 0.04 0.00 0.10 0.00 0.00 34.13 31.06 1t6w s GLU 33 CO -0.06 0.63 0.07 0.50 0.02 0.00 0.00 175.26 176.41 1t6w s ARG 34 N -2.04 0.01 6.30 1.61 3.52 -0.67 -0.20 118.95 127.47 1t6w s ARG 34 Ca 0.30 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1t6w s ARG 34 Cb -0.13 -0.94 0.00 0.00 -1.56 0.00 0.00 34.95 32.33 1t6w s ARG 34 CO 0.20 -0.43 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1t6w n GLY 35 N 5.28 2.72 2.25 8.12 0.00 -1.26 -1.48 105.19 120.82 1t6w n GLY 35 Ca -0.04 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 9.84 4.96 -3.64 1.61 7.64 -1.26 -5.03 113.62 127.75 1t6w n SER 36 Ca 0.00 -3.74 -0.10 0.00 1.01 0.00 0.00 58.87 56.04 1t6w n SER 36 Cb 0.00 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.73 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 -5.03 0.06 0.04 0.44 2.01 -0.55 -5.17 115.64 107.43 1t6w s THR 37 Ca 0.50 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1t6w s THR 37 Cb 0.41 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1t6w s THR 37 CO -0.07 -0.27 0.14 -0.76 -0.69 0.00 0.00 174.62 172.97 1t6w s LEU 38 N -2.81 4.10 -0.01 4.42 1.43 -1.26 -1.67 118.68 122.88 1t6w s LEU 38 Ca 0.04 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1t6w s LEU 38 Cb 0.01 -2.60 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 1t6w s LEU 38 CO -0.11 0.21 -0.01 0.52 0.23 0.00 0.00 176.35 177.20 1t6w n VAL 39 N 0.67 0.04 -3.22 -1.59 0.31 -0.48 -4.63 118.33 109.42 1t6w n VAL 39 Ca -0.09 -0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.27 1t6w n VAL 39 Cb 0.52 -0.65 -0.03 0.00 -0.91 0.00 0.00 33.84 32.77 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 -3.20 0.13 3.52 0.00 -1.20 -1.34 121.76 117.66 1t6w s ALA 40 Ca -0.01 1.66 0.07 0.00 0.00 0.00 0.00 51.96 53.68 1t6w s ALA 40 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1t6w s ALA 40 CO 0.02 -1.24 -0.15 -1.83 0.00 0.00 0.00 175.76 172.55 1t6w s GLU 41 N 2.68 1.10 0.21 0.00 -1.05 -0.80 -0.27 118.70 120.57 1t6w s GLU 41 Ca -0.01 -1.29 0.11 0.00 -0.15 0.00 0.00 54.97 53.63 1t6w s GLU 41 Cb -0.08 -1.03 -0.04 0.00 -0.44 0.00 0.00 34.13 32.53 1t6w s GLU 41 CO -0.14 0.20 -0.17 0.12 0.95 0.00 0.00 175.26 176.22 1t6w s PHE 42 N -2.10 2.42 -0.20 4.83 5.36 0.49 -2.13 117.98 126.66 1t6w s PHE 42 Ca 0.11 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 55.71 1t6w s PHE 42 Cb -0.05 -1.15 0.09 0.00 -0.34 0.00 0.00 43.02 41.57 1t6w s PHE 42 CO 0.04 0.56 0.41 0.21 -1.46 0.00 0.00 175.22 174.98 1t6w s LYS 43 N -2.98 0.32 0.60 10.12 2.20 -1.26 -1.92 119.74 126.81 1t6w s LYS 43 Ca 0.25 0.99 0.29 0.00 -0.36 0.00 0.00 55.97 57.13 1t6w s LYS 43 Cb -0.07 0.26 1.33 0.00 -1.51 0.00 0.00 37.83 37.83 1t6w s LYS 43 CO 0.13 -0.29 1.72 -0.09 -0.36 0.00 0.00 175.35 176.47 1t6w h ARG 44 N 8.18 0.00 -1.09 4.03 9.65 -1.64 0.18 114.38 133.68 1t6w h ARG 44 Ca -0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1t6w h ARG 44 Cb 1.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1t6w h ARG 44 CO 0.13 0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.53 1t6w n LYS 45 N -3.56 0.87 -1.10 0.20 5.02 -1.26 -4.96 118.16 113.37 1t6w n LYS 45 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 1t6w n LYS 45 Cb 0.93 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.79 1t6w n LYS 45 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1t6w n MET 46 N 0.50 -1.97 -2.72 1.97 0.00 0.64 -4.96 117.12 110.58 1t6w n MET 46 Ca 0.00 1.47 -0.06 0.00 -0.00 0.00 0.00 57.70 59.12 1t6w n MET 46 Cb 0.41 -2.54 0.01 0.00 0.00 0.00 0.00 33.22 31.09 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 -3.45 -1.92 -0.11 2.12 5.02 -1.26 -4.80 118.16 113.76 1t6w n LYS 47 Ca -0.02 1.83 0.00 0.00 -2.02 0.00 0.00 58.31 58.09 1t6w n LYS 47 Cb 0.61 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 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 -0.59 0.51 -3.89 1.97 -0.04 -1.26 -4.82 135.00 126.88 1t6w n PRO 48 Ca 0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 1t6w n PRO 48 Cb 0.42 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.72 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 -0.38 2.01 -0.33 0.54 5.36 -0.90 -5.01 117.98 119.27 1t6w s PHE 49 Ca 0.00 -1.46 -0.08 0.00 -0.96 0.00 0.00 56.93 54.43 1t6w s PHE 49 Cb 0.00 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.27 1t6w s PHE 49 CO 0.00 -0.71 0.13 -0.51 -1.46 0.00 0.00 175.22 172.66 1t6w s LEU 50 N 1.53 4.24 0.31 6.12 1.43 -1.26 -1.90 118.68 129.15 1t6w s LEU 50 Ca -0.04 -0.89 0.09 0.00 -1.03 0.00 0.00 54.13 52.26 1t6w s LEU 50 Cb -0.18 -1.93 0.89 0.00 0.03 0.00 0.00 46.19 45.00 1t6w s LEU 50 CO -0.07 -0.28 1.69 0.50 0.23 0.00 0.00 176.35 178.42 1t6w h LYS 51 N 8.29 0.39 -1.30 1.70 3.64 -1.47 -3.45 116.57 124.37 1t6w h LYS 51 Ca -0.27 -0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.40 1t6w h LYS 51 Cb 1.11 -0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 32.68 1t6w h LYS 51 CO 0.62 0.26 0.88 -1.54 -2.27 0.00 0.00 179.45 177.40 1t6w s SER 52 N -5.08 -0.06 0.13 4.20 1.04 -1.26 -4.99 113.70 107.67 1t6w s SER 52 Ca -0.11 -0.04 0.07 0.00 0.48 0.00 0.00 55.95 56.35 1t6w s SER 52 Cb 0.27 0.10 0.38 0.00 0.10 0.00 0.00 66.02 66.87 1t6w s SER 52 CO 0.79 -0.17 1.13 0.61 0.98 0.00 0.00 173.24 176.58 1t6w n GLY 53 N -0.25 -0.54 0.00 7.32 0.00 -1.26 -1.38 105.19 109.08 1t6w n GLY 53 Ca -0.03 0.07 0.11 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 -1.51 2.37 -2.38 4.61 0.00 -1.26 -4.76 120.51 117.58 1t6w n ALA 54 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1t6w n ALA 54 Cb 0.13 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 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 1.21 -0.19 0.00 0.08 -0.48 -1.20 117.98 115.40 1t6w s PHE 55 Ca 0.32 -0.68 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 1t6w s PHE 55 Cb 0.15 -0.63 0.09 0.00 -0.57 0.00 0.00 43.02 42.05 1t6w s PHE 55 CO 0.25 0.06 0.40 -1.21 -0.10 0.00 0.00 175.22 174.61 1t6w s GLU 56 N -3.19 0.30 -0.71 0.44 0.41 -0.12 -4.90 118.70 110.93 1t6w s GLU 56 Ca 0.11 0.98 -0.27 0.00 -0.41 0.00 0.00 54.97 55.38 1t6w s GLU 56 Cb -0.01 0.26 0.01 0.00 -1.78 0.00 0.00 34.13 32.62 1t6w s GLU 56 CO 0.01 -0.27 1.47 -1.50 -0.49 0.00 0.00 175.26 174.48 1t6w s ILE 57 N 2.59 3.61 1.01 -1.63 2.07 -1.26 -0.68 121.20 126.90 1t6w s ILE 57 Ca -0.01 0.30 -0.14 0.00 -1.41 0.00 0.00 60.65 59.39 1t6w s ILE 57 Cb -0.12 -4.62 0.07 0.00 0.13 0.00 0.00 42.46 37.92 1t6w s ILE 57 CO -0.12 -1.56 0.37 0.18 -1.91 0.00 0.00 174.94 171.89 1t6w n LEU 58 N 10.45 -0.64 0.28 8.50 4.32 0.50 -4.85 117.00 135.55 1t6w n LEU 58 Ca 0.10 0.19 0.17 0.00 -0.02 0.00 0.00 56.01 56.44 1t6w n LEU 58 Cb 0.50 -1.16 0.79 0.00 -1.62 0.00 0.00 43.42 41.94 1t6w n LEU 58 CO 0.71 -3.38 1.01 0.00 -1.22 0.00 0.00 177.39 174.51 1t6w h ALA 59 N -1.78 1.08 -0.78 -1.18 0.00 -1.94 -2.51 119.26 112.15 1t6w h ALA 59 Ca -0.47 -0.05 -0.41 0.00 0.00 0.00 0.00 54.91 53.98 1t6w h ALA 59 Cb 1.31 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.84 1t6w h ALA 59 CO 0.36 0.07 0.52 0.27 0.00 0.00 0.00 179.25 180.48 1t6w n ASN 60 N -3.27 3.73 -3.25 0.00 0.23 -1.26 -4.74 115.26 106.70 1t6w n ASN 60 Ca -0.01 -3.27 -0.23 0.00 -0.53 0.00 0.00 54.58 50.54 1t6w n ASN 60 Cb 0.25 -0.78 0.03 0.00 -2.08 0.00 0.00 39.78 37.20 1t6w n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t6w n GLY 61 N -0.77 -0.51 3.66 4.83 0.00 -0.94 -4.31 105.19 107.14 1t6w n GLY 61 Ca 0.47 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.81 4.69 -0.25 1.61 1.01 -1.25 -4.86 116.67 114.82 1t6w s ASP 62 Ca 0.39 -0.51 -0.17 0.00 0.71 0.00 0.00 52.55 52.97 1t6w s ASP 62 Cb -0.18 -0.95 -0.03 0.00 1.01 0.00 0.00 42.92 42.77 1t6w s ASP 62 CO 0.48 0.04 0.47 -0.22 0.21 0.00 0.00 175.17 176.15 1t6w s LEU 63 N -3.33 4.07 -0.39 1.23 2.96 -1.22 -0.37 118.68 121.64 1t6w s LEU 63 Ca 0.29 0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 54.61 1t6w s LEU 63 Cb -0.08 -2.60 0.06 0.00 0.50 0.00 0.00 46.19 44.06 1t6w s LEU 63 CO 0.19 -0.22 0.21 -0.75 -1.32 0.00 0.00 176.35 174.46 1t6w s LYS 64 N 2.04 2.66 0.04 1.98 2.47 0.14 -1.81 119.74 127.27 1t6w s LYS 64 Ca 0.20 -1.29 -0.22 0.00 -1.56 0.00 0.00 55.97 53.10 1t6w s LYS 64 Cb -0.16 -3.69 -0.06 0.00 -1.46 0.00 0.00 37.83 32.46 1t6w s LYS 64 CO 0.09 -0.82 0.65 0.42 0.16 0.00 0.00 175.35 175.85 1t6w s ILE 65 N 1.45 4.77 -0.13 5.43 1.01 -0.28 -0.94 121.20 132.51 1t6w s ILE 65 Ca 0.02 1.38 -0.19 0.00 0.00 0.00 0.00 60.65 61.86 1t6w s ILE 65 Cb -0.21 -3.99 -0.25 0.00 0.01 0.00 0.00 42.46 38.02 1t6w s ILE 65 CO 0.04 0.45 0.51 0.50 0.00 0.00 0.00 174.94 176.43 1t6w h LYS 66 N 5.27 0.16 -2.63 2.79 3.64 -1.46 -3.18 116.57 121.15 1t6w h LYS 66 Ca -0.46 -0.27 -0.33 0.00 -1.27 0.00 0.00 60.65 58.32 1t6w h LYS 66 Cb 1.21 0.10 -0.36 0.00 -0.41 0.00 0.00 32.23 32.76 1t6w h LYS 66 CO 0.68 1.13 -0.64 -0.80 -2.27 0.00 0.00 179.45 177.55 1t6w s ASN 67 N -6.88 1.42 0.69 4.20 -0.87 -1.26 -4.06 114.94 108.18 1t6w s ASN 67 Ca -0.22 -0.21 -0.17 0.00 -1.57 0.00 0.00 52.86 50.70 1t6w s ASN 67 Cb 0.04 0.31 -0.03 0.00 -0.02 0.00 0.00 41.25 41.55 1t6w s ASN 67 CO 0.72 -0.32 0.78 0.18 -2.57 0.00 0.00 177.10 175.89 1t6w n LEU 68 N 5.32 2.43 -3.66 0.60 4.77 -0.52 -4.56 117.00 121.38 1t6w n LEU 68 Ca -0.06 0.67 -0.11 0.00 -0.03 0.00 0.00 56.01 56.49 1t6w n LEU 68 Cb 0.49 -1.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 1t6w n LEU 68 CO 0.08 -2.45 0.13 0.42 -1.33 0.00 0.00 177.39 174.24 1t6w s THR 69 N -1.78 0.08 0.13 -5.08 -4.23 -1.26 -0.86 115.64 102.63 1t6w s THR 69 Ca 0.71 -0.62 -0.29 0.00 -1.18 0.00 0.00 61.69 60.31 1t6w s THR 69 Cb -0.37 -1.16 -0.07 0.00 1.34 0.00 0.00 72.50 72.25 1t6w s THR 69 CO 0.52 -0.34 1.59 0.03 -0.54 0.00 0.00 174.62 175.88 1t6w h ARG 70 N 2.48 -0.51 -0.04 3.99 -0.00 -1.95 0.17 114.38 118.52 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 0.12 -0.00 0.00 0.00 0.00 0.00 29.97 31.33 1t6w h ARG 70 CO 0.47 -0.34 0.25 0.22 0.00 0.00 0.00 179.97 180.57 1t6w h ASP 71 N -0.53 0.00 1.38 7.04 3.58 -2.01 0.41 116.42 126.29 1t6w h ASP 71 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1t6w h ASP 71 Cb 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1t6w h ASP 71 CO -0.34 0.00 -0.10 -0.67 -2.88 0.00 0.00 179.24 175.25 1t6w n ASP 72 N -3.08 0.80 -4.75 2.28 2.03 0.58 -4.82 116.55 109.59 1t6w n ASP 72 Ca -0.01 0.50 -0.40 0.00 0.52 0.00 0.00 54.79 55.40 1t6w n ASP 72 Cb 0.31 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.02 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1t6w s SER 73 N -4.49 7.47 0.00 1.67 1.04 0.14 -4.84 113.70 114.70 1t6w s SER 73 Ca 0.10 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.27 1t6w s SER 73 Cb 0.12 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1t6w s SER 73 CO 0.62 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.55 1t6w n GLY 74 N 1.84 0.25 2.87 7.32 0.00 -0.49 -5.00 105.19 111.99 1t6w n GLY 74 Ca -0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 0.28 -0.11 2.61 2.01 -1.26 -0.14 115.64 119.03 1t6w s THR 75 Ca 0.00 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 1t6w s THR 75 Cb 0.00 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1t6w s THR 75 CO 0.00 0.14 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.72 1t6w s TYR 76 N 0.60 3.04 -0.19 4.92 1.51 0.06 -4.46 117.35 122.84 1t6w s TYR 76 Ca -0.06 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1t6w s TYR 76 Cb -0.10 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1t6w s TYR 76 CO -0.01 0.21 -0.12 -0.80 -1.11 0.00 0.00 175.55 173.73 1t6w s ASN 77 N -0.31 3.79 -0.17 2.29 0.01 0.72 -0.80 114.94 120.46 1t6w s ASN 77 Ca 0.05 -0.48 -0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1t6w s ASN 77 Cb -0.12 -1.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.88 1t6w s ASN 77 CO 0.02 0.02 0.05 -0.69 -1.51 0.00 0.00 177.10 174.99 1t6w s VAL 78 N 1.19 4.65 -0.32 1.60 1.01 0.92 -1.16 120.40 128.28 1t6w s VAL 78 Ca 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1t6w s VAL 78 Cb -0.14 -3.08 0.08 0.00 0.00 0.00 0.00 36.38 33.24 1t6w s VAL 78 CO -0.05 0.48 0.03 -0.89 0.00 0.00 0.00 175.10 174.67 1t6w s THR 79 N 0.23 2.54 -0.21 3.92 2.01 -0.90 -1.28 115.64 121.96 1t6w s THR 79 Ca 0.03 -1.96 -0.14 0.00 0.31 0.00 0.00 61.69 59.93 1t6w s THR 79 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1t6w s THR 79 CO 0.01 -0.39 0.33 -0.69 -0.69 0.00 0.00 174.62 173.19 1t6w s VAL 80 N 1.05 5.25 0.09 3.82 1.01 0.70 -2.94 120.40 129.38 1t6w s VAL 80 Ca 0.03 0.56 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1t6w s VAL 80 Cb -0.20 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1t6w s VAL 80 CO -0.05 0.28 -0.25 -0.31 0.00 0.00 0.00 175.10 174.77 1t6w s TYR 81 N 1.20 2.36 0.80 5.22 2.02 0.06 0.11 117.35 129.12 1t6w s TYR 81 Ca 0.16 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 1t6w s TYR 81 Cb -0.14 -1.33 0.16 0.00 -0.40 0.00 0.00 41.96 40.25 1t6w s TYR 81 CO 0.07 0.26 1.10 -1.54 -1.57 0.00 0.00 175.55 173.87 1t6w s SER 82 N -1.72 3.92 0.54 2.29 1.04 -0.54 -1.59 113.70 117.64 1t6w s SER 82 Ca 0.14 -0.26 0.36 0.00 0.48 0.00 0.00 55.95 56.67 1t6w s SER 82 Cb -0.10 0.02 1.78 0.00 0.10 0.00 0.00 66.02 67.82 1t6w s SER 82 CO 0.05 -2.17 2.08 0.71 0.98 0.00 0.00 173.24 174.90 1t6w h THR 83 N -0.87 0.00 -0.45 2.02 1.35 -1.86 -1.53 112.91 111.56 1t6w h THR 83 Ca -0.38 -0.18 -0.03 0.00 -0.55 0.00 0.00 66.41 65.27 1t6w h THR 83 Cb 1.25 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 1t6w h THR 83 CO 0.38 0.00 0.04 0.59 -0.25 0.00 0.00 175.52 176.28 1t6w n ASN 84 N -2.87 4.44 -2.43 5.36 3.02 -1.26 -4.89 115.26 116.63 1t6w n ASN 84 Ca -0.01 -2.74 -0.17 0.00 -0.03 0.00 0.00 54.58 51.64 1t6w n ASN 84 Cb 0.15 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.66 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 0.36 -0.50 3.85 7.41 0.00 -0.58 -4.96 105.19 110.77 1t6w n GLY 85 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.83 4.81 -0.52 2.61 2.01 -1.26 -4.89 115.64 115.57 1t6w s THR 86 Ca 0.00 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 1t6w s THR 86 Cb -0.00 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1t6w s THR 86 CO 0.00 -0.04 1.46 -0.13 -0.69 0.00 0.00 174.62 175.22 1t6w s ARG 87 N -2.97 3.32 -0.05 4.92 3.00 -1.26 -1.47 118.95 124.45 1t6w s ARG 87 Ca 0.32 0.61 -0.02 0.00 0.00 0.00 0.00 55.73 56.65 1t6w s ARG 87 Cb -0.11 -4.12 -0.01 0.00 0.00 0.00 0.00 34.95 30.71 1t6w s ARG 87 CO 0.25 -1.91 0.12 0.82 0.00 0.00 0.00 175.30 174.58 1t6w h ILE 88 N 6.45 0.00 -3.18 1.52 1.08 0.49 -3.48 117.51 120.39 1t6w h ILE 88 Ca -0.27 -0.49 -0.21 0.00 -0.39 0.00 0.00 64.86 63.51 1t6w h ILE 88 Cb 1.10 0.00 -0.29 0.00 -3.07 0.00 0.00 36.82 34.56 1t6w h ILE 88 CO 1.15 0.00 -0.53 -0.22 -0.69 0.00 0.00 178.15 177.87 1t6w s LEU 89 N -6.49 0.80 -0.27 1.44 0.20 -0.93 -4.98 118.68 108.44 1t6w s LEU 89 Ca -0.01 0.40 0.03 0.00 0.69 0.00 0.00 54.13 55.24 1t6w s LEU 89 Cb 0.00 0.58 0.07 0.00 -0.43 0.00 0.00 46.19 46.41 1t6w s LEU 89 CO 0.03 -0.13 -0.08 0.21 -0.29 0.00 0.00 176.35 176.09 1t6w s ASN 90 N 0.86 4.48 0.24 3.68 3.04 -1.26 -0.21 114.94 125.77 1t6w s ASN 90 Ca -0.06 -1.52 0.11 0.00 0.04 0.00 0.00 52.86 51.43 1t6w s ASN 90 Cb -0.08 -1.55 -0.05 0.00 -1.54 0.00 0.00 41.25 38.03 1t6w s ASN 90 CO -0.05 -0.22 -0.20 -0.54 -3.04 0.00 0.00 177.10 173.05 1t6w s LYS 91 N 1.08 1.56 -0.05 0.43 -0.14 -0.40 -4.97 119.74 117.26 1t6w s LYS 91 Ca -0.06 -1.65 -0.01 0.00 -1.36 0.00 0.00 55.97 52.89 1t6w s LYS 91 Cb -0.20 -1.68 0.03 0.00 -1.68 0.00 0.00 37.83 34.30 1t6w s LYS 91 CO -0.06 0.33 0.03 0.00 -0.76 0.00 0.00 175.35 174.89 1t6w s ALA 92 N -2.30 0.36 0.29 5.17 0.00 -1.26 -0.06 121.76 123.96 1t6w s ALA 92 Ca 0.25 0.11 0.11 0.00 0.00 0.00 0.00 51.96 52.43 1t6w s ALA 92 Cb -0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1t6w s ALA 92 CO 0.12 -0.38 -0.14 -0.51 0.00 0.00 0.00 175.76 174.85 1t6w s LEU 93 N 1.84 2.74 -0.15 0.00 1.02 0.02 -4.87 118.68 119.27 1t6w s LEU 93 Ca 0.01 -0.97 -0.05 0.00 0.02 0.00 0.00 54.13 53.15 1t6w s LEU 93 Cb -0.12 -1.22 -0.03 0.00 0.02 0.00 0.00 46.19 44.83 1t6w s LEU 93 CO -0.03 -0.01 0.00 -1.81 0.02 0.00 0.00 176.35 174.52 1t6w s ASP 94 N -3.56 5.17 -0.38 2.29 1.01 -1.25 -0.76 116.67 119.18 1t6w s ASP 94 Ca 0.31 -0.00 0.01 0.00 0.71 0.00 0.00 52.55 53.58 1t6w s ASP 94 Cb -0.04 -1.79 0.11 0.00 1.01 0.00 0.00 42.92 42.20 1t6w s ASP 94 CO 0.16 0.21 0.13 -0.22 0.21 0.00 0.00 175.17 175.66 1t6w s LEU 95 N 0.13 4.93 -0.40 1.23 0.20 0.80 -0.06 118.68 125.51 1t6w s LEU 95 Ca 0.01 -2.18 -0.18 0.00 0.69 0.00 0.00 54.13 52.47 1t6w s LEU 95 Cb -0.13 -1.71 0.01 0.00 -0.43 0.00 0.00 46.19 43.94 1t6w s LEU 95 CO 0.02 -0.43 0.50 -0.13 -0.29 0.00 0.00 176.35 176.02 1t6w s ARG 96 N 0.89 3.33 -0.29 1.98 1.81 -0.18 -1.39 118.95 125.10 1t6w s ARG 96 Ca 0.11 -0.47 -0.05 0.00 -1.72 0.00 0.00 55.73 53.59 1t6w s ARG 96 Cb -0.21 -3.90 0.02 0.00 -0.45 0.00 0.00 34.95 30.41 1t6w s ARG 96 CO -0.06 -0.80 0.04 0.42 -0.68 0.00 0.00 175.30 174.22 1t6w s ILE 97 N 2.35 3.60 -0.08 1.52 1.01 -1.26 -1.32 121.20 127.02 1t6w s ILE 97 Ca 0.16 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1t6w s ILE 97 Cb -0.16 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1t6w s ILE 97 CO 0.15 0.08 1.61 -0.76 0.00 0.00 0.00 174.94 176.01 1t6w s LEU 98 N 1.43 4.26 0.00 2.97 1.43 0.12 -4.73 118.68 124.16 1t6w s LEU 98 Ca 0.01 2.12 0.31 0.00 -1.03 0.00 0.00 54.13 55.54 1t6w s LEU 98 Cb -0.17 -3.53 1.85 0.00 0.03 0.00 0.00 46.19 44.36 1t6w s LEU 98 CO 0.00 -0.94 2.17 -0.62 0.23 0.00 0.00 176.35 177.19