#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 0.47 -2.88 2.89 9.92 -1.26 -5.06 116.55 120.64 1t6w n ASP 2 Ca 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1t6w n ASP 2 Cb 0.00 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 1t6w n ASP 2 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1t6w n SER 3 N -2.96 -0.76 0.00 -2.24 2.88 -1.26 -4.87 113.62 104.41 1t6w n SER 3 Ca -0.03 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.21 1t6w n SER 3 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1t6w n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t6w n GLY 4 N 2.22 0.03 3.46 0.46 0.00 -1.26 -4.85 105.19 105.25 1t6w n GLY 4 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 1.86 -3.92 2.61 -1.04 -1.25 -3.98 114.28 108.55 1t6w n THR 5 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 1t6w n THR 5 Cb 0.00 -0.60 -0.11 0.00 -1.82 0.00 0.00 70.33 67.80 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 -1.49 0.09 -0.12 12.58 0.11 0.11 -4.90 120.40 126.79 1t6w s VAL 6 Ca 0.64 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1t6w s VAL 6 Cb -0.58 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1t6w s VAL 6 CO 0.58 -0.40 -0.21 0.26 -3.33 0.00 0.00 175.10 172.00 1t6w s TRP 7 N -1.27 2.65 0.35 1.54 0.52 -1.26 -1.16 118.94 120.31 1t6w s TRP 7 Ca -0.14 -1.03 0.03 0.00 0.02 0.00 0.00 56.10 54.98 1t6w s TRP 7 Cb -0.08 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1t6w s TRP 7 CO 0.00 -0.42 0.39 0.20 0.02 0.00 0.00 176.95 177.14 1t6w s GLY 8 N 0.48 1.98 -0.05 0.98 0.00 -0.43 -5.00 107.32 105.28 1t6w s GLY 8 Ca -0.14 -1.83 0.04 0.00 0.00 0.00 0.00 44.72 42.80 1t6w s GLY 8 CO 0.05 -1.24 -0.19 0.00 0.00 0.00 0.00 173.10 171.72 1t6w s ALA 9 N -3.16 1.66 0.22 3.20 0.00 -1.26 0.07 121.76 122.49 1t6w s ALA 9 Ca 0.36 -0.76 -0.32 0.00 0.00 0.00 0.00 51.96 51.24 1t6w s ALA 9 Cb 0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 23.12 22.43 1t6w s ALA 9 CO 0.25 0.29 1.33 -0.11 0.00 0.00 0.00 175.76 177.53 1t6w n LEU 10 N 3.17 2.62 0.00 0.00 7.94 -0.58 -0.95 117.00 129.19 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 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1t6w n LEU 10 CO 0.25 -0.74 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 1t6w n GLY 11 N 2.14 1.58 3.88 -3.96 0.00 -0.14 -4.81 105.19 103.88 1t6w n GLY 11 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.90 2.77 0.74 1.61 5.65 -0.13 -4.53 115.29 118.50 1t6w s HIS 12 Ca 0.00 -0.43 -0.11 0.00 0.25 0.00 0.00 55.06 54.77 1t6w s HIS 12 Cb 0.00 -2.09 0.03 0.00 -1.18 0.00 0.00 32.58 29.34 1t6w s HIS 12 CO 0.00 -0.07 1.09 0.20 -0.65 0.00 0.00 174.74 175.31 1t6w s GLY 13 N -4.12 1.63 -0.30 1.59 0.00 -1.26 -1.48 107.32 103.39 1t6w s GLY 13 Ca 0.47 -0.20 -0.24 0.00 0.00 0.00 0.00 44.72 44.75 1t6w s GLY 13 CO 0.28 0.18 1.36 -1.50 0.00 0.00 0.00 173.10 173.42 1t6w s ILE 14 N -3.21 0.00 -0.06 0.90 1.10 -1.22 -4.82 121.20 113.89 1t6w s ILE 14 Ca 0.59 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.77 1t6w s ILE 14 Cb -0.13 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.48 1t6w s ILE 14 CO 0.53 0.00 -0.17 -0.62 -2.11 0.00 0.00 174.94 172.57 1t6w s ASP 15 N 0.17 2.25 -0.21 4.50 -1.08 -1.26 -1.25 116.67 119.79 1t6w s ASP 15 Ca 0.05 -0.38 -0.23 0.00 -0.52 0.00 0.00 52.55 51.48 1t6w s ASP 15 Cb -0.05 -0.78 -0.02 0.00 -1.46 0.00 0.00 42.92 40.61 1t6w s ASP 15 CO -0.14 0.13 0.72 -0.76 0.52 0.00 0.00 175.17 175.64 1t6w s LEU 16 N 0.22 4.13 -0.23 -1.34 1.02 -0.63 -4.95 118.68 116.90 1t6w s LEU 16 Ca -0.08 0.94 -0.08 0.00 0.02 0.00 0.00 54.13 54.92 1t6w s LEU 16 Cb -0.14 -3.03 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 1t6w s LEU 16 CO 0.04 -0.36 0.09 -1.81 0.02 0.00 0.00 176.35 174.33 1t6w s ASP 17 N 1.25 5.57 -0.24 2.29 1.01 -1.26 -3.06 116.67 122.22 1t6w s ASP 17 Ca 0.32 -0.03 -0.29 0.00 0.71 0.00 0.00 52.55 53.26 1t6w s ASP 17 Cb -0.16 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.79 1t6w s ASP 17 CO 0.10 0.06 1.02 -0.63 0.21 0.00 0.00 175.17 175.93 1t6w s ILE 18 N 1.08 4.67 0.23 0.77 1.01 -1.26 -4.55 121.20 123.15 1t6w s ILE 18 Ca 0.05 1.94 -0.31 0.00 0.00 0.00 0.00 60.65 62.32 1t6w s ILE 18 Cb -0.14 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 37.91 1t6w s ILE 18 CO 0.04 -0.21 1.69 -2.84 0.00 0.00 0.00 174.94 173.61 1t6w s PRO 19 N 3.23 4.12 -1.02 2.79 0.02 -1.26 -3.59 135.00 139.29 1t6w s PRO 19 Ca 0.43 2.60 -0.17 0.00 0.02 0.00 0.00 61.00 63.88 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 -0.72 0.66 -1.71 -0.33 0.00 0.00 177.00 174.97 1t6w n ASN 20 N 3.52 -4.72 -3.98 2.53 5.15 -1.26 -4.99 115.26 111.51 1t6w n ASN 20 Ca 0.14 -1.08 -0.10 0.00 -0.60 0.00 0.00 54.58 52.94 1t6w n ASN 20 Cb 0.36 -1.98 -0.11 0.00 -0.53 0.00 0.00 39.78 37.51 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 -3.26 0.27 -0.11 1.20 5.36 -1.24 -5.07 117.98 115.14 1t6w s PHE 21 Ca 0.26 -0.49 -0.02 0.00 -0.96 0.00 0.00 56.93 55.72 1t6w s PHE 21 Cb -0.13 -0.19 0.04 0.00 -0.34 0.00 0.00 43.02 42.39 1t6w s PHE 21 CO 0.92 -0.17 0.01 -0.65 -1.46 0.00 0.00 175.22 173.87 1t6w s GLN 22 N -1.37 0.61 -1.13 10.12 -0.21 -1.26 -5.02 119.66 121.40 1t6w s GLN 22 Ca -0.14 -0.04 -0.16 0.00 0.02 0.00 0.00 55.36 55.03 1t6w s GLN 22 Cb -0.09 -1.31 0.14 0.00 1.00 0.00 0.00 33.01 32.74 1t6w s GLN 22 CO -0.01 -0.41 1.39 1.41 -2.12 0.00 0.00 175.29 175.56 1t6w s MET 23 N 1.95 3.90 0.17 2.91 -2.45 -1.23 -4.78 119.30 119.77 1t6w s MET 23 Ca 0.03 -2.16 0.01 0.00 -1.25 0.00 0.00 55.69 52.32 1t6w s MET 23 Cb -0.14 -5.11 0.01 0.00 1.25 0.00 0.00 34.83 30.84 1t6w s MET 23 CO -0.06 -1.87 0.06 0.25 1.05 0.00 0.00 175.02 174.45 1t6w n THR 24 N 5.28 0.00 0.10 10.11 -2.24 -1.26 -4.88 114.28 121.39 1t6w n THR 24 Ca 0.35 -0.75 0.09 0.00 -2.27 0.00 0.00 64.05 61.47 1t6w n THR 24 Cb 0.46 -0.07 0.57 0.00 -2.10 0.00 0.00 70.33 69.19 1t6w n THR 24 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1t6w h ASP 25 N 0.32 0.18 0.19 3.42 3.04 -2.03 -0.07 116.42 121.46 1t6w h ASP 25 Ca -0.13 -0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.65 1t6w h ASP 25 Cb 0.41 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1t6w h ASP 25 CO 0.21 0.12 -0.06 0.44 -2.04 0.00 0.00 179.24 177.91 1t6w h ASP 26 N 0.21 0.00 -3.34 4.15 5.19 -1.95 -3.42 116.42 117.27 1t6w h ASP 26 Ca 0.12 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.98 1t6w h ASP 26 Cb 0.22 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.71 1t6w h ASP 26 CO -0.02 0.06 0.46 -0.63 -3.12 0.00 0.00 179.24 175.99 1t6w s ILE 27 N -4.40 4.81 -0.20 0.35 -1.09 -0.04 -2.16 121.20 118.47 1t6w s ILE 27 Ca -0.04 2.04 0.04 0.00 -2.23 0.00 0.00 60.65 60.46 1t6w s ILE 27 Cb 0.14 -4.31 -0.15 0.00 -1.58 0.00 0.00 42.46 36.56 1t6w s ILE 27 CO 0.56 0.09 -0.15 -0.67 -1.23 0.00 0.00 174.94 173.55 1t6w n ASP 28 N 4.41 2.15 -3.95 3.58 2.03 -0.45 -4.82 116.55 119.49 1t6w n ASP 28 Ca 0.07 -0.09 -0.09 0.00 0.52 0.00 0.00 54.79 55.19 1t6w n ASP 28 Cb 0.50 -0.13 -0.10 0.00 -0.72 0.00 0.00 41.12 40.67 1t6w n ASP 28 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1t6w s GLU 29 N -2.41 0.44 -0.23 -0.67 2.02 -1.08 0.67 118.70 117.43 1t6w s GLU 29 Ca -0.25 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.07 1t6w s GLU 29 Cb 0.07 0.17 0.10 0.00 0.10 0.00 0.00 34.13 34.57 1t6w s GLU 29 CO 0.51 -0.09 0.23 0.08 0.02 0.00 0.00 175.26 176.02 1t6w s VAL 30 N -1.88 -0.33 -0.22 2.63 1.01 0.57 0.65 120.40 122.83 1t6w s VAL 30 Ca -0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1t6w s VAL 30 Cb -0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1t6w s VAL 30 CO -0.02 -0.31 0.12 -0.13 0.00 0.00 0.00 175.10 174.77 1t6w s ARG 31 N 2.32 4.01 -0.90 2.72 0.52 -0.69 -1.43 118.95 125.50 1t6w s ARG 31 Ca 0.08 -0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 54.91 1t6w s ARG 31 Cb -0.15 -3.43 0.23 0.00 0.52 0.00 0.00 34.95 32.11 1t6w s ARG 31 CO -0.19 0.10 0.82 -1.58 0.02 0.00 0.00 175.30 174.47 1t6w s TRP 32 N 0.90 3.89 0.18 -0.53 0.52 0.67 -0.82 118.94 123.75 1t6w s TRP 32 Ca 0.06 -2.62 0.05 0.00 0.02 0.00 0.00 56.10 53.61 1t6w s TRP 32 Cb -0.13 -3.55 -0.04 0.00 -1.15 0.00 0.00 33.47 28.60 1t6w s TRP 32 CO 0.03 -0.88 0.20 -1.21 0.02 0.00 0.00 176.95 175.11 1t6w s GLU 33 N -0.74 3.07 -0.15 4.98 2.02 -0.15 -1.64 118.70 126.08 1t6w s GLU 33 Ca 0.24 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.36 1t6w s GLU 33 Cb -0.11 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.47 1t6w s GLU 33 CO -0.09 0.48 0.25 0.50 0.02 0.00 0.00 175.26 176.42 1t6w s ARG 34 N -3.32 0.16 6.86 1.61 3.00 -0.82 -0.34 118.95 126.09 1t6w s ARG 34 Ca 0.32 0.63 0.00 0.00 -1.00 0.00 0.00 55.73 55.68 1t6w s ARG 34 Cb -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 34.95 34.57 1t6w s ARG 34 CO 0.25 -0.37 0.00 0.41 0.00 0.00 0.00 175.30 175.59 1t6w n GLY 35 N 5.34 3.65 2.22 8.12 0.00 -1.26 -1.56 105.19 121.71 1t6w n GLY 35 Ca -0.06 0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 8.84 5.55 -3.76 1.61 2.88 -1.26 -5.01 113.62 122.47 1t6w n SER 36 Ca 0.00 -3.76 -0.10 0.00 -1.33 0.00 0.00 58.87 53.69 1t6w n SER 36 Cb 0.00 -0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 62.88 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 -4.85 0.11 0.01 2.46 2.01 -0.60 -5.17 115.64 109.61 1t6w s THR 37 Ca 0.53 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1t6w s THR 37 Cb 0.43 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1t6w s THR 37 CO -0.04 -0.50 0.06 -0.76 -0.69 0.00 0.00 174.62 172.68 1t6w s LEU 38 N -2.83 3.77 -0.04 4.42 1.43 -1.26 -1.95 118.68 122.22 1t6w s LEU 38 Ca 0.04 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1t6w s LEU 38 Cb 0.03 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1t6w s LEU 38 CO -0.11 0.26 -0.04 0.52 0.23 0.00 0.00 176.35 177.21 1t6w n VAL 39 N 1.17 0.22 -3.23 -1.59 0.31 -0.65 -4.59 118.33 109.96 1t6w n VAL 39 Ca -0.13 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.16 1t6w n VAL 39 Cb 0.53 -0.97 -0.02 0.00 -0.91 0.00 0.00 33.84 32.47 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 -2.70 -0.27 3.52 0.00 -1.10 -1.31 121.76 117.82 1t6w s ALA 40 Ca -0.05 1.79 -0.00 0.00 0.00 0.00 0.00 51.96 53.69 1t6w s ALA 40 Cb 0.02 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 20.95 1t6w s ALA 40 CO 0.08 -1.28 -0.06 -2.00 0.00 0.00 0.00 175.76 172.51 1t6w s GLU 41 N 2.84 2.51 -0.28 0.00 2.12 -0.91 -0.23 118.70 124.74 1t6w s GLU 41 Ca 0.08 -1.19 -0.05 0.00 0.36 0.00 0.00 54.97 54.16 1t6w s GLU 41 Cb -0.12 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.26 1t6w s GLU 41 CO -0.17 -0.53 0.04 0.12 -0.54 0.00 0.00 175.26 174.18 1t6w s PHE 42 N 1.23 3.12 0.02 5.30 2.19 -0.52 -1.71 117.98 127.61 1t6w s PHE 42 Ca -0.04 -1.11 0.09 0.00 0.33 0.00 0.00 56.93 56.20 1t6w s PHE 42 Cb -0.19 -2.20 -0.03 0.00 -1.31 0.00 0.00 43.02 39.30 1t6w s PHE 42 CO -0.04 -0.61 -0.26 -1.59 1.83 0.00 0.00 175.22 174.56 1t6w s LYS 43 N 1.46 1.91 0.60 10.12 -2.85 -1.26 -0.32 119.74 129.40 1t6w s LYS 43 Ca 0.02 -1.04 0.28 0.00 -1.00 0.00 0.00 55.97 54.23 1t6w s LYS 43 Cb -0.17 -1.99 1.40 0.00 -2.06 0.00 0.00 37.83 35.01 1t6w s LYS 43 CO 0.00 0.53 1.81 -0.09 0.10 0.00 0.00 175.35 177.70 1t6w h ARG 44 N 5.06 0.00 -1.73 1.78 9.65 -0.12 -0.97 114.38 128.05 1t6w h ARG 44 Ca -0.45 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.38 1t6w h ARG 44 Cb 1.13 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 1t6w h ARG 44 CO 0.45 0.00 0.06 1.63 2.80 0.00 0.00 179.97 184.91 1t6w n LYS 45 N -3.52 1.11 0.00 0.20 4.01 -1.26 -4.98 118.16 113.72 1t6w n LYS 45 Ca 0.09 -0.23 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 1t6w n LYS 45 Cb 0.74 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 1t6w n LYS 45 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 1t6w n MET 46 N 1.13 0.00 -3.45 1.97 1.56 -0.37 -4.88 117.12 113.08 1t6w n MET 46 Ca 0.04 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.29 1t6w n MET 46 Cb 0.53 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.92 1t6w n MET 46 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1t6w n LYS 47 N -0.00 -1.44 -1.82 2.12 5.02 -1.26 -4.61 118.16 116.16 1t6w n LYS 47 Ca 0.00 0.90 -0.30 0.00 -2.02 0.00 0.00 58.31 56.89 1t6w n LYS 47 Cb 0.00 -4.49 0.21 0.00 -0.02 0.00 0.00 35.03 30.73 1t6w n LYS 47 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1t6w s PRO 48 N -4.63 0.09 -0.33 1.97 0.04 -1.26 -4.87 135.00 126.01 1t6w s PRO 48 Ca 0.23 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.79 1t6w s PRO 48 Cb -0.07 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.79 1t6w s PRO 48 CO 0.82 -2.77 0.11 0.12 0.04 0.00 0.00 177.00 175.32 1t6w s PHE 49 N -3.84 2.05 -0.45 0.56 5.36 -0.70 -4.97 117.98 116.01 1t6w s PHE 49 Ca 0.76 -2.02 -0.18 0.00 -0.96 0.00 0.00 56.93 54.53 1t6w s PHE 49 Cb -0.03 -1.92 0.03 0.00 -0.34 0.00 0.00 43.02 40.76 1t6w s PHE 49 CO 0.54 -0.88 0.50 -0.51 -1.46 0.00 0.00 175.22 173.41 1t6w s LEU 50 N 1.35 4.90 0.40 6.12 1.43 -1.26 -2.15 118.68 129.47 1t6w s LEU 50 Ca 0.11 -0.73 0.24 0.00 -1.03 0.00 0.00 54.13 52.72 1t6w s LEU 50 Cb -0.18 -2.43 1.33 0.00 0.03 0.00 0.00 46.19 44.94 1t6w s LEU 50 CO -0.19 -0.68 1.62 0.50 0.23 0.00 0.00 176.35 177.83 1t6w h LYS 51 N 8.81 0.11 -1.05 1.70 3.64 -1.45 -3.44 116.57 124.90 1t6w h LYS 51 Ca -0.27 -0.01 0.36 0.00 -1.27 0.00 0.00 60.65 59.47 1t6w h LYS 51 Cb 1.11 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 51 CO 0.85 0.08 0.98 0.45 -2.27 0.00 0.00 179.45 179.54 1t6w s SER 52 N -4.59 -0.01 0.03 4.20 0.15 -1.26 -4.99 113.70 107.23 1t6w s SER 52 Ca -0.08 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.58 1t6w s SER 52 Cb 0.31 0.02 0.10 0.00 -1.71 0.00 0.00 66.02 64.74 1t6w s SER 52 CO 0.80 -0.03 0.98 0.61 1.20 0.00 0.00 173.24 176.80 1t6w n GLY 53 N -0.27 -0.45 0.00 9.45 0.00 -1.26 -1.67 105.19 110.98 1t6w n GLY 53 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.44 2.34 -2.36 4.61 0.00 -1.26 -4.77 120.51 117.63 1t6w n ALA 54 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1t6w n ALA 54 Cb 0.09 -1.30 -0.10 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 1.18 -0.24 0.00 0.08 -0.67 -1.27 117.98 115.06 1t6w s PHE 55 Ca 0.28 -0.70 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 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 0.54 -1.21 -0.10 0.00 0.00 175.22 174.71 1t6w s GLU 56 N -3.26 0.49 -0.68 0.44 0.41 -0.05 -4.93 118.70 111.12 1t6w s GLU 56 Ca 0.11 1.15 -0.27 0.00 -0.41 0.00 0.00 54.97 55.56 1t6w s GLU 56 Cb -0.00 0.39 0.04 0.00 -1.78 0.00 0.00 34.13 32.77 1t6w s GLU 56 CO 0.00 -0.20 1.21 -1.50 -0.49 0.00 0.00 175.26 174.28 1t6w s ILE 57 N 2.28 3.89 1.28 -1.63 2.07 -1.26 -0.62 121.20 127.21 1t6w s ILE 57 Ca -0.06 0.43 -0.17 0.00 -1.41 0.00 0.00 60.65 59.44 1t6w s ILE 57 Cb -0.10 -4.83 0.31 0.00 0.13 0.00 0.00 42.46 37.97 1t6w s ILE 57 CO -0.16 -1.66 0.85 0.18 -1.91 0.00 0.00 174.94 172.25 1t6w n LEU 58 N 8.87 -1.46 -0.06 8.50 4.32 -0.69 -4.90 117.00 131.59 1t6w n LEU 58 Ca 0.03 -0.43 -0.14 0.00 -0.02 0.00 0.00 56.01 55.46 1t6w n LEU 58 Cb 0.49 -1.13 -0.07 0.00 -1.62 0.00 0.00 43.42 41.09 1t6w n LEU 58 CO 0.70 -3.76 0.54 0.00 -1.22 0.00 0.00 177.39 173.66 1t6w h ALA 59 N -3.00 0.24 -0.03 -1.18 0.00 -1.95 -3.00 119.26 110.34 1t6w h ALA 59 Ca -0.54 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.00 1t6w h ALA 59 Cb 1.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1t6w h ALA 59 CO 0.40 0.21 0.10 -2.95 0.00 0.00 0.00 179.25 177.01 1t6w h ASN 60 N 0.06 0.00 0.00 0.00 7.08 -1.92 -3.45 115.58 117.35 1t6w h ASN 60 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1t6w h ASN 60 Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 1t6w h ASN 60 CO 0.05 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.01 1t6w n GLY 61 N -1.20 1.49 3.53 9.14 0.00 -1.13 -3.55 105.19 113.47 1t6w n GLY 61 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1t6w n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6w s ASP 62 N -2.00 4.02 -0.18 1.61 1.01 -1.26 -4.80 116.67 115.07 1t6w s ASP 62 Ca 0.00 -0.69 -0.28 0.00 0.71 0.00 0.00 52.55 52.30 1t6w s ASP 62 Cb 0.00 -0.58 -0.00 0.00 1.01 0.00 0.00 42.92 43.34 1t6w s ASP 62 CO 0.00 0.10 0.95 -0.22 0.21 0.00 0.00 175.17 176.21 1t6w s LEU 63 N -2.90 4.16 -0.37 1.23 2.96 -1.17 -1.70 118.68 120.88 1t6w s LEU 63 Ca 0.25 1.33 -0.11 0.00 -0.22 0.00 0.00 54.13 55.38 1t6w s LEU 63 Cb -0.08 -3.42 0.03 0.00 0.50 0.00 0.00 46.19 43.22 1t6w s LEU 63 CO 0.14 -0.52 0.20 -0.75 -1.32 0.00 0.00 176.35 174.10 1t6w s LYS 64 N 2.55 2.82 -0.05 1.98 2.20 0.21 -1.60 119.74 127.86 1t6w s LYS 64 Ca 0.43 -1.08 -0.18 0.00 -0.36 0.00 0.00 55.97 54.77 1t6w s LYS 64 Cb -0.16 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 1t6w s LYS 64 CO 0.11 -0.69 0.49 0.42 -0.36 0.00 0.00 175.35 175.32 1t6w s ILE 65 N 1.54 5.05 -0.10 5.43 1.01 -0.38 -0.87 121.20 132.89 1t6w s ILE 65 Ca 0.02 1.01 -0.22 0.00 0.00 0.00 0.00 60.65 61.46 1t6w s ILE 65 Cb -0.19 -3.82 -0.28 0.00 0.01 0.00 0.00 42.46 38.18 1t6w s ILE 65 CO 0.06 0.43 0.70 0.50 0.00 0.00 0.00 174.94 176.63 1t6w h LYS 66 N 5.81 0.19 -2.47 2.79 3.64 -1.49 -3.24 116.57 121.81 1t6w h LYS 66 Ca -0.45 -0.33 -0.26 0.00 -1.27 0.00 0.00 60.65 58.34 1t6w h LYS 66 Cb 1.20 0.12 -0.34 0.00 -0.41 0.00 0.00 32.23 32.80 1t6w h LYS 66 CO 0.70 1.16 -0.58 -0.80 -2.27 0.00 0.00 179.45 177.66 1t6w s ASN 67 N -6.82 0.91 0.49 4.20 0.02 -1.26 -4.21 114.94 108.27 1t6w s ASN 67 Ca -0.18 0.05 -0.22 0.00 -1.02 0.00 0.00 52.86 51.50 1t6w s ASN 67 Cb 0.02 0.60 -0.09 0.00 0.02 0.00 0.00 41.25 41.79 1t6w s ASN 67 CO 0.76 -0.30 0.82 0.18 0.02 0.00 0.00 177.10 178.58 1t6w n LEU 68 N 5.34 2.01 -3.92 0.60 4.77 -0.55 -4.56 117.00 120.68 1t6w n LEU 68 Ca -0.05 0.91 -0.09 0.00 -0.03 0.00 0.00 56.01 56.74 1t6w n LEU 68 Cb 0.50 -1.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.21 1t6w n LEU 68 CO 0.06 -2.11 -0.21 0.42 -1.33 0.00 0.00 177.39 174.23 1t6w s THR 69 N -1.44 0.13 0.14 -5.08 -4.23 -1.26 -0.96 115.64 102.93 1t6w s THR 69 Ca 0.67 -1.11 -0.28 0.00 -1.18 0.00 0.00 61.69 59.80 1t6w s THR 69 Cb -0.51 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 1t6w s THR 69 CO 0.54 -0.61 1.59 0.08 -0.54 0.00 0.00 174.62 175.69 1t6w h ARG 70 N 3.59 -0.42 -0.27 3.99 0.11 -1.95 0.20 114.38 119.63 1t6w h ARG 70 Ca -0.33 0.03 0.08 0.00 0.10 0.00 0.00 59.98 59.86 1t6w h ARG 70 Cb 1.18 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 1t6w h ARG 70 CO 0.51 -0.28 0.41 0.22 0.10 0.00 0.00 179.97 180.93 1t6w h ASP 71 N -0.44 0.00 1.40 0.08 3.58 -2.01 0.64 116.42 119.67 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 -0.41 0.00 0.00 -0.78 -2.88 0.00 0.00 179.24 175.17 1t6w h ASP 72 N 0.00 0.00 -3.09 2.28 3.58 -1.02 -3.43 116.42 114.73 1t6w h ASP 72 Ca 0.13 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.01 1t6w h ASP 72 Cb 0.94 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.94 1t6w h ASP 72 CO -0.00 0.00 0.90 -0.94 -2.88 0.00 0.00 179.24 176.32 1t6w s SER 73 N -4.89 6.86 0.00 2.28 1.04 0.22 -4.85 113.70 114.37 1t6w s SER 73 Ca 0.08 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1t6w s SER 73 Cb 0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1t6w s SER 73 CO 0.57 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1t6w n GLY 74 N 3.89 -0.53 3.49 7.32 0.00 -0.37 -4.98 105.19 114.01 1t6w n GLY 74 Ca 0.14 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.87 3.73 0.11 2.61 2.01 -1.26 -0.08 115.64 118.89 1t6w s THR 75 Ca 0.00 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1t6w s THR 75 Cb 0.00 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1t6w s THR 75 CO 0.00 0.51 0.11 -0.31 -0.69 0.00 0.00 174.62 174.24 1t6w s TYR 76 N 0.19 3.20 -0.06 4.92 1.51 0.63 -4.47 117.35 123.27 1t6w s TYR 76 Ca -0.03 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1t6w s TYR 76 Cb -0.14 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1t6w s TYR 76 CO 0.03 0.52 -0.04 -0.80 -1.11 0.00 0.00 175.55 174.16 1t6w s ASN 77 N -2.64 1.38 -0.13 2.29 0.01 0.53 -0.72 114.94 115.66 1t6w s ASN 77 Ca 0.30 -0.15 -0.03 0.00 -0.71 0.00 0.00 52.86 52.27 1t6w s ASN 77 Cb -0.11 -0.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.99 1t6w s ASN 77 CO 0.23 -0.11 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.01 1t6w s VAL 78 N 1.37 4.18 -0.44 1.60 1.01 0.72 -0.98 120.40 127.87 1t6w s VAL 78 Ca -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1t6w s VAL 78 Cb -0.13 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.56 1t6w s VAL 78 CO -0.03 0.54 0.17 -0.89 0.00 0.00 0.00 175.10 174.89 1t6w s THR 79 N -0.17 2.52 -0.03 3.92 2.01 -0.01 -1.21 115.64 122.68 1t6w s THR 79 Ca 0.04 -2.81 -0.25 0.00 0.31 0.00 0.00 61.69 58.99 1t6w s THR 79 Cb -0.13 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1t6w s THR 79 CO 0.02 -0.71 0.75 -0.69 -0.69 0.00 0.00 174.62 173.31 1t6w s VAL 80 N 0.32 4.96 0.17 3.82 1.01 0.85 -1.70 120.40 129.83 1t6w s VAL 80 Ca 0.14 1.57 0.10 0.00 0.00 0.00 0.00 61.98 63.78 1t6w s VAL 80 Cb -0.22 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1t6w s VAL 80 CO -0.04 0.26 -0.17 -0.31 0.00 0.00 0.00 175.10 174.84 1t6w s TYR 81 N 0.64 2.49 0.74 5.22 1.51 0.21 0.19 117.35 128.36 1t6w s TYR 81 Ca 0.40 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1t6w s TYR 81 Cb -0.19 -1.26 0.14 0.00 -0.11 0.00 0.00 41.96 40.55 1t6w s TYR 81 CO 0.20 0.47 1.01 -1.54 -1.11 0.00 0.00 175.55 174.58 1t6w s SER 82 N -2.56 4.25 0.55 2.29 1.04 0.14 -1.35 113.70 118.05 1t6w s SER 82 Ca 0.21 -0.48 0.30 0.00 0.48 0.00 0.00 55.95 56.47 1t6w s SER 82 Cb -0.09 0.17 1.57 0.00 0.10 0.00 0.00 66.02 67.78 1t6w s SER 82 CO 0.12 -1.94 2.10 0.71 0.98 0.00 0.00 173.24 175.21 1t6w h THR 83 N -0.56 0.42 -0.00 2.02 1.35 -1.75 -1.28 112.91 113.10 1t6w h THR 83 Ca -0.35 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1t6w h THR 83 Cb 1.26 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1t6w h THR 83 CO 0.38 0.08 -0.12 0.59 -0.25 0.00 0.00 175.52 176.20 1t6w n ASN 84 N -3.51 0.46 0.00 5.36 3.02 -1.26 -4.91 115.26 114.43 1t6w n ASN 84 Ca -0.02 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1t6w n ASN 84 Cb 0.22 -0.08 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 1.30 0.62 3.69 7.41 0.00 -0.48 -5.07 105.19 112.66 1t6w n GLY 85 Ca 0.14 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 4.32 -0.24 2.61 2.01 -1.26 -4.82 115.64 116.26 1t6w s THR 86 Ca 0.00 -0.36 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 1t6w s THR 86 Cb 0.00 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1t6w s THR 86 CO 0.00 0.52 2.02 -0.13 -0.69 0.00 0.00 174.62 176.34 1t6w s ARG 87 N -1.15 3.31 0.02 4.92 3.00 -1.26 0.27 118.95 128.06 1t6w s ARG 87 Ca 0.16 1.85 -0.16 0.00 0.00 0.00 0.00 55.73 57.57 1t6w s ARG 87 Cb -0.11 -4.28 -0.36 0.00 0.00 0.00 0.00 34.95 30.20 1t6w s ARG 87 CO 0.06 -1.89 0.98 0.82 0.00 0.00 0.00 175.30 175.27 1t6w h ILE 88 N 6.87 1.29 -2.53 1.52 1.08 0.19 -3.47 117.51 122.46 1t6w h ILE 88 Ca -0.39 -2.69 -0.09 0.00 -0.39 0.00 0.00 64.86 61.31 1t6w h ILE 88 Cb 1.21 3.05 -0.26 0.00 -3.07 0.00 0.00 36.82 37.75 1t6w h ILE 88 CO 0.98 0.81 -0.28 -0.22 -0.69 0.00 0.00 178.15 178.75 1t6w s LEU 89 N -7.61 -0.35 -0.30 1.44 0.20 -1.04 -5.00 118.68 106.03 1t6w s LEU 89 Ca -0.09 1.00 0.01 0.00 0.69 0.00 0.00 54.13 55.74 1t6w s LEU 89 Cb 0.04 1.49 0.06 0.00 -0.43 0.00 0.00 46.19 47.35 1t6w s LEU 89 CO 0.94 -0.21 -0.02 0.21 -0.29 0.00 0.00 176.35 176.98 1t6w s ASN 90 N 1.76 4.72 0.27 3.68 3.04 -1.26 -0.10 114.94 127.05 1t6w s ASN 90 Ca -0.08 -1.48 0.12 0.00 0.04 0.00 0.00 52.86 51.46 1t6w s ASN 90 Cb -0.09 -1.64 -0.05 0.00 -1.54 0.00 0.00 41.25 37.93 1t6w s ASN 90 CO -0.14 -0.27 -0.19 -0.54 -3.04 0.00 0.00 177.10 172.93 1t6w s LYS 91 N 1.14 1.72 -0.04 0.43 -0.14 -0.35 -4.96 119.74 117.54 1t6w s LYS 91 Ca -0.04 -1.71 -0.01 0.00 -1.36 0.00 0.00 55.97 52.85 1t6w s LYS 91 Cb -0.20 -1.82 0.03 0.00 -1.68 0.00 0.00 37.83 34.16 1t6w s LYS 91 CO -0.04 0.34 0.04 0.00 -0.76 0.00 0.00 175.35 174.93 1t6w s ALA 92 N -2.41 0.33 0.31 5.17 0.00 -1.26 -0.20 121.76 123.70 1t6w s ALA 92 Ca 0.29 0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.49 1t6w s ALA 92 Cb -0.05 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1t6w s ALA 92 CO 0.15 -0.39 -0.15 -0.51 0.00 0.00 0.00 175.76 174.86 1t6w s LEU 93 N 1.85 2.66 -0.20 0.00 1.02 0.10 -4.90 118.68 119.22 1t6w s LEU 93 Ca 0.01 -1.10 -0.04 0.00 0.02 0.00 0.00 54.13 53.03 1t6w s LEU 93 Cb -0.12 -1.07 -0.01 0.00 0.02 0.00 0.00 46.19 45.01 1t6w s LEU 93 CO -0.03 -0.07 -0.04 -1.81 0.02 0.00 0.00 176.35 174.42 1t6w s ASP 94 N -3.56 4.41 -0.35 2.29 1.01 -1.26 -0.27 116.67 118.95 1t6w s ASP 94 Ca 0.31 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 53.25 1t6w s ASP 94 Cb -0.02 -1.75 0.09 0.00 1.01 0.00 0.00 42.92 42.26 1t6w s ASP 94 CO 0.16 0.03 0.08 -0.22 0.21 0.00 0.00 175.17 175.43 1t6w s LEU 95 N 1.20 4.72 -0.20 1.23 0.20 0.88 0.09 118.68 126.80 1t6w s LEU 95 Ca 0.02 -1.96 -0.16 0.00 0.69 0.00 0.00 54.13 52.73 1t6w s LEU 95 Cb -0.14 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 1t6w s LEU 95 CO -0.01 -0.40 0.40 -0.13 -0.29 0.00 0.00 176.35 175.91 1t6w s ARG 96 N 1.03 4.17 -0.32 1.98 1.81 -0.31 -1.24 118.95 126.08 1t6w s ARG 96 Ca 0.07 0.19 -0.07 0.00 -1.72 0.00 0.00 55.73 54.20 1t6w s ARG 96 Cb -0.20 -3.54 0.02 0.00 -0.45 0.00 0.00 34.95 30.78 1t6w s ARG 96 CO -0.06 -0.04 0.10 0.42 -0.68 0.00 0.00 175.30 175.04 1t6w s ILE 97 N 1.32 3.91 -0.07 1.52 -1.09 -1.26 -1.31 121.20 124.22 1t6w s ILE 97 Ca 0.19 -0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 57.42 1t6w s ILE 97 Cb -0.15 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 1t6w s ILE 97 CO 0.08 -0.05 1.29 -0.76 -1.23 0.00 0.00 174.94 174.28 1t6w s LEU 98 N 1.46 4.26 0.00 2.97 1.43 0.11 -4.79 118.68 124.12 1t6w s LEU 98 Ca 0.01 1.88 0.30 0.00 -1.03 0.00 0.00 54.13 55.29 1t6w s LEU 98 Cb -0.18 -3.55 1.78 0.00 0.03 0.00 0.00 46.19 44.26 1t6w s LEU 98 CO 0.03 -0.69 2.11 -0.62 0.23 0.00 0.00 176.35 177.41