#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 0.51 -3.85 2.89 3.58 -2.02 -3.43 116.42 114.10 1t6w h ASP 2 Ca 0.00 -0.66 -0.64 0.00 0.42 0.00 0.00 57.03 56.16 1t6w h ASP 2 Cb 0.00 -0.15 -0.17 0.00 1.72 0.00 0.00 39.33 40.73 1t6w h ASP 2 CO 0.00 1.08 -0.49 -0.94 -2.88 0.00 0.00 179.24 176.01 1t6w s SER 3 N -6.55 6.05 0.39 2.28 1.04 -1.26 -4.26 113.70 111.39 1t6w s SER 3 Ca -0.13 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.38 1t6w s SER 3 Cb 0.04 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1t6w s SER 3 CO 0.80 -0.05 0.55 -0.83 0.98 0.00 0.00 173.24 174.69 1t6w s GLY 4 N 1.68 1.70 -0.03 7.32 0.00 -1.02 -4.94 107.32 112.02 1t6w s GLY 4 Ca 0.08 -1.44 -0.11 0.00 0.00 0.00 0.00 44.72 43.25 1t6w s GLY 4 CO 0.10 -1.30 0.23 -1.59 0.00 0.00 0.00 173.10 170.54 1t6w s THR 5 N -2.32 0.05 0.01 0.90 2.01 -1.26 0.12 115.64 115.16 1t6w s THR 5 Ca 0.49 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1t6w s THR 5 Cb -0.10 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1t6w s THR 5 CO 0.33 -0.25 -0.03 0.54 -0.69 0.00 0.00 174.62 174.52 1t6w s VAL 6 N -1.02 0.19 -0.14 3.82 0.11 0.70 -4.88 120.40 119.19 1t6w s VAL 6 Ca -0.11 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.42 1t6w s VAL 6 Cb -0.05 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.54 1t6w s VAL 6 CO 0.02 -0.22 -0.16 0.26 -3.33 0.00 0.00 175.10 171.67 1t6w s TRP 7 N -0.76 2.75 0.34 1.54 0.52 -1.26 -0.99 118.94 121.08 1t6w s TRP 7 Ca -0.07 -0.94 -0.07 0.00 0.02 0.00 0.00 56.10 55.03 1t6w s TRP 7 Cb -0.05 -1.84 0.01 0.00 -1.15 0.00 0.00 33.47 30.44 1t6w s TRP 7 CO -0.00 -0.40 0.56 0.20 0.02 0.00 0.00 176.95 177.32 1t6w s GLY 8 N 0.61 1.08 -0.05 0.98 0.00 -0.45 -5.01 107.32 104.48 1t6w s GLY 8 Ca -0.09 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 43.44 1t6w s GLY 8 CO 0.03 -0.78 -0.22 0.00 0.00 0.00 0.00 173.10 172.13 1t6w s ALA 9 N -3.00 1.93 0.15 3.20 0.00 -1.26 0.22 121.76 123.01 1t6w s ALA 9 Ca 0.26 -0.92 -0.34 0.00 0.00 0.00 0.00 51.96 50.95 1t6w s ALA 9 Cb -0.02 -0.60 -0.14 0.00 0.00 0.00 0.00 23.12 22.36 1t6w s ALA 9 CO 0.17 0.37 1.55 -0.11 0.00 0.00 0.00 175.76 177.74 1t6w n LEU 10 N 2.99 2.91 0.00 0.00 7.94 -0.57 -1.03 117.00 129.24 1t6w n LEU 10 Ca -0.18 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1t6w n LEU 10 Cb 0.52 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1t6w n LEU 10 CO 0.25 -0.38 0.00 0.61 -1.11 0.00 0.00 177.39 176.76 1t6w n GLY 11 N 3.30 0.62 3.85 -3.96 0.00 0.11 -4.83 105.19 104.28 1t6w n GLY 11 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.22 2.59 0.91 1.61 5.65 -0.20 -4.51 115.29 119.13 1t6w s HIS 12 Ca 0.00 -0.54 -0.15 0.00 0.25 0.00 0.00 55.06 54.62 1t6w s HIS 12 Cb 0.00 -2.11 0.16 0.00 -1.18 0.00 0.00 32.58 29.45 1t6w s HIS 12 CO 0.00 -0.09 1.27 0.20 -0.65 0.00 0.00 174.74 175.47 1t6w s GLY 13 N -4.10 1.71 0.00 1.59 0.00 -1.26 -1.17 107.32 104.10 1t6w s GLY 13 Ca 0.46 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1t6w s GLY 13 CO 0.26 -0.33 0.00 4.51 0.00 0.00 0.00 173.10 177.54 1t6w n ILE 14 N -3.62 0.00 -4.58 0.90 0.13 -1.18 -4.77 119.36 106.23 1t6w n ILE 14 Ca 0.13 0.00 -0.33 0.00 -1.10 0.00 0.00 62.75 61.45 1t6w n ILE 14 Cb 0.60 0.00 -0.15 0.00 -0.84 0.00 0.00 39.64 39.25 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 3.70 -0.55 9.51 2.15 -1.26 -1.30 116.67 128.92 1t6w s ASP 15 Ca 0.00 -0.45 -0.24 0.00 0.43 0.00 0.00 52.55 52.29 1t6w s ASP 15 Cb 0.00 -1.57 0.04 0.00 -0.30 0.00 0.00 42.92 41.10 1t6w s ASP 15 CO 0.00 0.10 0.94 -0.76 -0.17 0.00 0.00 175.17 175.27 1t6w s LEU 16 N 0.74 4.13 -0.19 -1.34 1.02 -0.80 -4.97 118.68 117.27 1t6w s LEU 16 Ca -0.06 -0.38 -0.22 0.00 0.02 0.00 0.00 54.13 53.48 1t6w s LEU 16 Cb -0.15 -2.81 -0.02 0.00 0.02 0.00 0.00 46.19 43.22 1t6w s LEU 16 CO 0.01 -1.23 0.66 -1.81 0.02 0.00 0.00 176.35 174.01 1t6w s ASP 17 N 2.87 6.74 -0.23 2.29 1.01 -1.26 -3.51 116.67 124.57 1t6w s ASP 17 Ca 0.30 0.90 -0.29 0.00 0.71 0.00 0.00 52.55 54.17 1t6w s ASP 17 Cb -0.13 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1t6w s ASP 17 CO 0.19 -0.29 1.03 -0.63 0.21 0.00 0.00 175.17 175.68 1t6w s ILE 18 N 1.90 4.69 0.22 0.77 1.01 -1.26 -5.00 121.20 123.54 1t6w s ILE 18 Ca 0.31 2.01 -0.32 0.00 0.00 0.00 0.00 60.65 62.65 1t6w s ILE 18 Cb -0.16 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 1t6w s ILE 18 CO 0.11 -0.17 1.70 -2.65 0.00 0.00 0.00 174.94 173.93 1t6w n PRO 19 N 6.29 2.77 -3.83 2.79 -0.02 -1.26 -3.55 135.00 138.19 1t6w n PRO 19 Ca 0.12 1.00 -0.32 0.00 -2.02 0.00 0.00 63.50 62.28 1t6w n PRO 19 Cb 0.46 -2.83 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 0.09 1.98 0.00 0.00 175.50 177.57 1t6w n ASN 20 N 3.62 -4.88 -3.94 2.55 3.02 -1.26 -4.99 115.26 109.37 1t6w n ASN 20 Ca 0.15 -1.03 -0.10 0.00 -0.03 0.00 0.00 54.58 53.57 1t6w n ASN 20 Cb 0.35 -2.15 -0.10 0.00 -0.61 0.00 0.00 39.78 37.26 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1t6w s PHE 21 N -3.24 0.19 -0.08 3.10 5.36 -1.23 -5.07 117.98 117.01 1t6w s PHE 21 Ca 0.24 -0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1t6w s PHE 21 Cb -0.12 -0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.46 1t6w s PHE 21 CO 0.91 -0.25 0.08 -0.65 -1.46 0.00 0.00 175.22 173.85 1t6w s GLN 22 N -1.67 -0.03 -1.17 10.12 -0.21 -1.26 -5.01 119.66 120.43 1t6w s GLN 22 Ca -0.13 0.31 -0.19 0.00 0.02 0.00 0.00 55.36 55.36 1t6w s GLN 22 Cb -0.07 -0.77 0.08 0.00 1.00 0.00 0.00 33.01 33.25 1t6w s GLN 22 CO -0.01 -0.41 1.56 1.41 -2.12 0.00 0.00 175.29 175.72 1t6w s MET 23 N 2.19 3.84 0.16 2.91 -2.45 -1.26 -4.73 119.30 119.96 1t6w s MET 23 Ca 0.04 -1.77 0.00 0.00 -1.25 0.00 0.00 55.69 52.71 1t6w s MET 23 Cb -0.13 -5.37 0.00 0.00 1.25 0.00 0.00 34.83 30.58 1t6w s MET 23 CO -0.05 -2.14 0.00 0.25 1.05 0.00 0.00 175.02 174.13 1t6w n THR 24 N 6.26 0.00 0.13 10.11 -2.24 -1.26 -4.79 114.28 122.49 1t6w n THR 24 Ca 0.40 -0.75 0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1t6w n THR 24 Cb 0.47 0.13 0.66 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.38 0.00 0.19 3.42 5.19 -2.02 0.23 116.42 123.81 1t6w h ASP 25 Ca -0.13 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 1t6w h ASP 25 Cb 0.40 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 1t6w h ASP 25 CO 0.22 0.00 -0.13 -0.78 -3.12 0.00 0.00 179.24 175.43 1t6w h ASP 26 N 0.00 0.00 -3.37 6.45 1.82 -1.95 -3.41 116.42 115.97 1t6w h ASP 26 Ca 0.12 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.19 1t6w h ASP 26 Cb 0.49 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.43 1t6w h ASP 26 CO -0.00 0.13 0.13 -0.63 -1.61 0.00 0.00 179.24 177.25 1t6w s ILE 27 N -4.56 5.02 -0.10 2.25 -1.09 0.07 -2.81 121.20 119.99 1t6w s ILE 27 Ca -0.04 1.36 -0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1t6w s ILE 27 Cb 0.15 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.96 1t6w s ILE 27 CO 0.65 0.18 -0.09 -0.67 -1.23 0.00 0.00 174.94 173.77 1t6w n ASP 28 N 4.38 2.66 -4.00 3.58 2.03 -0.17 -4.77 116.55 120.27 1t6w n ASP 28 Ca -0.01 -0.01 -0.30 0.00 0.52 0.00 0.00 54.79 54.99 1t6w n ASP 28 Cb 0.50 -0.18 -0.16 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.19 2.16 -0.22 -0.67 2.12 -1.04 -1.64 118.70 117.22 1t6w s GLU 29 Ca -0.13 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.62 1t6w s GLU 29 Cb 0.04 -2.13 0.05 0.00 0.26 0.00 0.00 34.13 32.35 1t6w s GLU 29 CO 0.21 -0.28 -0.09 0.08 -0.54 0.00 0.00 175.26 174.63 1t6w s VAL 30 N 1.49 1.72 -0.06 3.70 1.01 -0.86 -0.02 120.40 127.38 1t6w s VAL 30 Ca 0.04 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1t6w s VAL 30 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1t6w s VAL 30 CO -0.10 0.08 -0.11 0.00 0.00 0.00 0.00 175.10 174.97 1t6w s ARG 31 N 1.34 2.69 -0.80 2.72 1.70 -1.14 0.16 118.95 125.62 1t6w s ARG 31 Ca -0.04 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.58 1t6w s ARG 31 Cb -0.17 -2.49 0.20 0.00 -0.57 0.00 0.00 34.95 31.91 1t6w s ARG 31 CO -0.07 0.60 0.65 -1.58 -1.08 0.00 0.00 175.30 173.82 1t6w s TRP 32 N -0.65 3.72 0.03 5.89 0.52 0.25 -1.96 118.94 126.74 1t6w s TRP 32 Ca 0.10 -2.99 -0.11 0.00 0.02 0.00 0.00 56.10 53.11 1t6w s TRP 32 Cb -0.11 -3.16 -0.05 0.00 -1.15 0.00 0.00 33.47 28.99 1t6w s TRP 32 CO 0.01 -0.74 0.37 -1.21 0.02 0.00 0.00 176.95 175.40 1t6w s GLU 33 N -1.03 3.77 -0.11 4.98 2.02 -0.10 -1.54 118.70 126.69 1t6w s GLU 33 Ca 0.24 0.20 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1t6w s GLU 33 Cb -0.10 -3.10 0.03 0.00 0.10 0.00 0.00 34.13 31.06 1t6w s GLU 33 CO -0.11 0.63 -0.02 0.50 0.02 0.00 0.00 175.26 176.29 1t6w s ARG 34 N -1.54 0.90 6.06 1.61 3.00 -0.43 -0.46 118.95 128.08 1t6w s ARG 34 Ca 0.28 -0.10 0.00 0.00 -1.00 0.00 0.00 55.73 54.91 1t6w s ARG 34 Cb -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 34.95 33.44 1t6w s ARG 34 CO 0.15 -0.35 0.00 0.41 0.00 0.00 0.00 175.30 175.51 1t6w n GLY 35 N 5.06 2.41 2.25 8.12 0.00 -1.26 -1.44 105.19 120.33 1t6w n GLY 35 Ca -0.09 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1t6w n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t6w n SER 36 N 10.11 4.89 -3.54 1.61 3.41 -1.26 -5.03 113.62 123.80 1t6w n SER 36 Ca 0.00 -3.74 -0.11 0.00 -0.26 0.00 0.00 58.87 54.76 1t6w n SER 36 Cb 0.00 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1t6w s THR 37 N -5.05 0.04 0.02 6.66 2.01 -0.52 -5.17 115.64 113.63 1t6w s THR 37 Ca 0.50 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.16 1t6w s THR 37 Cb 0.41 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1t6w s THR 37 CO -0.07 -0.17 0.20 -0.76 -0.69 0.00 0.00 174.62 173.12 1t6w s LEU 38 N -2.72 4.37 -0.02 4.42 1.43 -1.26 -1.32 118.68 123.57 1t6w s LEU 38 Ca 0.02 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1t6w s LEU 38 Cb 0.01 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1t6w s LEU 38 CO -0.12 0.23 -0.02 0.52 0.23 0.00 0.00 176.35 177.19 1t6w n VAL 39 N 0.71 0.12 -3.28 -1.59 0.31 -0.59 -4.68 118.33 109.33 1t6w n VAL 39 Ca -0.09 -0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.23 1t6w n VAL 39 Cb 0.52 -0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 32.73 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 -3.03 0.21 3.52 0.00 -1.21 -1.26 121.76 117.95 1t6w s ALA 40 Ca -0.03 1.83 0.10 0.00 0.00 0.00 0.00 51.96 53.87 1t6w s ALA 40 Cb 0.01 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 1t6w s ALA 40 CO 0.05 -1.08 -0.20 -1.83 0.00 0.00 0.00 175.76 172.70 1t6w s GLU 41 N 2.47 1.46 -0.06 0.00 -1.05 -0.27 -0.58 118.70 120.67 1t6w s GLU 41 Ca -0.01 -1.56 0.05 0.00 -0.15 0.00 0.00 54.97 53.30 1t6w s GLU 41 Cb -0.06 -1.56 -0.01 0.00 -0.44 0.00 0.00 34.13 32.07 1t6w s GLU 41 CO -0.16 0.31 -0.23 0.12 0.95 0.00 0.00 175.26 176.25 1t6w s PHE 42 N -2.21 2.27 -0.18 4.83 5.36 0.42 -2.72 117.98 125.75 1t6w s PHE 42 Ca 0.22 -0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 55.47 1t6w s PHE 42 Cb -0.05 -1.50 0.05 0.00 -0.34 0.00 0.00 43.02 41.17 1t6w s PHE 42 CO 0.10 -0.23 -0.04 0.21 -1.46 0.00 0.00 175.22 173.80 1t6w s LYS 43 N -0.04 1.33 -0.91 10.12 2.20 -1.26 -2.02 119.74 129.16 1t6w s LYS 43 Ca -0.06 -0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 54.74 1t6w s LYS 43 Cb -0.14 -2.12 -0.23 0.00 -1.51 0.00 0.00 37.83 33.83 1t6w s LYS 43 CO 0.04 -0.50 2.45 -2.13 -0.36 0.00 0.00 175.35 174.86 1t6w n ARG 44 N 4.87 0.20 0.00 4.03 3.00 -0.65 -1.42 116.66 126.68 1t6w n ARG 44 Ca -0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1t6w n ARG 44 Cb 0.47 -1.82 0.00 0.00 0.00 0.00 0.00 32.46 31.11 1t6w n ARG 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1t6w n LYS 45 N 7.62 0.00 -1.60 -0.14 5.02 -1.26 -4.97 118.16 122.84 1t6w n LYS 45 Ca 0.61 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.53 1t6w n LYS 45 Cb 0.18 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.25 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1t6w n MET 46 N 0.00 0.84 -1.67 1.97 2.81 -0.51 -4.83 117.12 115.73 1t6w n MET 46 Ca 0.00 0.33 -0.43 0.00 -1.81 0.00 0.00 57.70 55.79 1t6w n MET 46 Cb 0.00 -2.21 -0.03 0.00 -0.71 0.00 0.00 33.22 30.27 1t6w n MET 46 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1t6w s LYS 47 N -2.92 3.26 0.00 0.03 0.00 -1.26 -4.19 119.74 114.65 1t6w s LYS 47 Ca 0.77 2.00 0.00 0.00 0.00 0.00 0.00 55.97 58.74 1t6w s LYS 47 Cb -0.40 -4.33 0.00 0.00 0.00 0.00 0.00 37.83 33.11 1t6w s LYS 47 CO 0.46 -1.96 0.00 -2.30 0.00 0.00 0.00 175.35 171.55 1t6w n PRO 48 N 8.59 -0.32 -3.71 1.78 -0.02 -1.26 -4.84 135.00 135.21 1t6w n PRO 48 Ca 0.28 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.51 1t6w n PRO 48 Cb 0.45 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.76 1t6w n PRO 48 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1t6w s PHE 49 N -0.65 0.63 -0.32 6.00 5.36 -1.10 -4.99 117.98 122.91 1t6w s PHE 49 Ca 0.00 -0.43 -0.07 0.00 -0.96 0.00 0.00 56.93 55.47 1t6w s PHE 49 Cb 0.00 -0.83 0.02 0.00 -0.34 0.00 0.00 43.02 41.87 1t6w s PHE 49 CO 0.00 -0.47 0.10 -0.51 -1.46 0.00 0.00 175.22 172.88 1t6w s LEU 50 N 1.99 4.07 0.24 6.12 1.43 -1.26 -1.11 118.68 130.16 1t6w s LEU 50 Ca 0.02 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.13 1t6w s LEU 50 Cb -0.15 -1.88 0.38 0.00 0.03 0.00 0.00 46.19 44.57 1t6w s LEU 50 CO -0.07 -0.26 1.61 0.50 0.23 0.00 0.00 176.35 178.36 1t6w h LYS 51 N 8.24 0.02 -1.25 1.70 3.64 -1.45 -3.46 116.57 124.01 1t6w h LYS 51 Ca -0.28 -0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.45 1t6w h LYS 51 Cb 1.11 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.78 1t6w h LYS 51 CO 0.61 0.02 0.90 0.45 -2.27 0.00 0.00 179.45 179.16 1t6w s SER 52 N -5.22 -0.04 0.16 4.20 0.15 -1.26 -4.99 113.70 106.71 1t6w s SER 52 Ca -0.14 -0.07 0.07 0.00 0.70 0.00 0.00 55.95 56.51 1t6w s SER 52 Cb 0.23 0.09 0.39 0.00 -1.71 0.00 0.00 66.02 65.01 1t6w s SER 52 CO 0.75 -0.16 1.08 0.61 1.20 0.00 0.00 173.24 176.73 1t6w n GLY 53 N -0.44 -0.48 0.00 9.45 0.00 -1.26 -1.26 105.19 111.20 1t6w n GLY 53 Ca -0.08 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.46 2.31 -2.38 4.61 0.00 -1.26 -4.76 120.51 117.58 1t6w n ALA 54 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1t6w n ALA 54 Cb 0.23 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 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 0.72 -0.18 0.00 0.08 -0.39 -1.20 117.98 115.01 1t6w s PHE 55 Ca 0.32 -0.82 -0.06 0.00 0.12 0.00 0.00 56.93 56.49 1t6w s PHE 55 Cb 0.15 -0.44 0.08 0.00 -0.57 0.00 0.00 43.02 42.24 1t6w s PHE 55 CO 0.25 -0.18 0.38 -2.00 -0.10 0.00 0.00 175.22 173.56 1t6w s GLU 56 N -3.14 0.28 -0.58 0.44 2.56 -0.24 -4.87 118.70 113.14 1t6w s GLU 56 Ca 0.04 0.95 -0.28 0.00 0.00 0.00 0.00 54.97 55.68 1t6w s GLU 56 Cb 0.01 0.23 0.01 0.00 2.00 0.00 0.00 34.13 36.38 1t6w s GLU 56 CO -0.04 -0.26 1.47 -1.50 -0.56 0.00 0.00 175.26 174.37 1t6w s ILE 57 N 2.51 3.71 1.13 -3.70 2.07 -1.26 -0.59 121.20 125.06 1t6w s ILE 57 Ca -0.01 0.57 -0.17 0.00 -1.41 0.00 0.00 60.65 59.62 1t6w s ILE 57 Cb -0.12 -4.40 0.15 0.00 0.13 0.00 0.00 42.46 38.22 1t6w s ILE 57 CO -0.12 -1.20 0.29 0.18 -1.91 0.00 0.00 174.94 172.18 1t6w n LEU 58 N 10.02 -1.99 0.24 8.50 4.32 -0.55 -4.83 117.00 132.70 1t6w n LEU 58 Ca 0.13 -0.11 0.11 0.00 -0.02 0.00 0.00 56.01 56.11 1t6w n LEU 58 Cb 0.49 -1.05 0.58 0.00 -1.62 0.00 0.00 43.42 41.83 1t6w n LEU 58 CO 0.71 -3.17 0.88 0.00 -1.22 0.00 0.00 177.39 174.59 1t6w h ALA 59 N -2.21 1.14 -0.82 -1.18 0.00 -1.94 -2.82 119.26 111.42 1t6w h ALA 59 Ca -0.55 -0.17 -0.47 0.00 0.00 0.00 0.00 54.91 53.72 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 0.41 0.23 0.60 0.27 0.00 0.00 0.00 179.25 180.76 1t6w n ASN 60 N -3.51 4.80 -2.54 0.00 0.23 -1.26 -4.81 115.26 108.17 1t6w n ASN 60 Ca -0.01 -3.40 -0.20 0.00 -0.53 0.00 0.00 54.58 50.45 1t6w n ASN 60 Cb 0.34 -0.85 -0.00 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 -0.74 -0.50 4.01 4.83 0.00 -1.06 -4.21 105.19 107.51 1t6w n GLY 61 Ca 0.50 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.17 5.20 -0.20 1.61 2.15 -1.25 -4.89 116.67 117.11 1t6w s ASP 62 Ca 0.06 -0.48 -0.03 0.00 0.43 0.00 0.00 52.55 52.54 1t6w s ASP 62 Cb -0.03 -0.28 -0.00 0.00 -0.30 0.00 0.00 42.92 42.31 1t6w s ASP 62 CO 0.08 -1.20 -0.08 -0.22 -0.17 0.00 0.00 175.17 173.58 1t6w s LEU 63 N -4.66 2.73 -0.40 -1.34 2.96 -1.23 -1.48 118.68 115.26 1t6w s LEU 63 Ca 0.59 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1t6w s LEU 63 Cb -0.08 -1.68 0.07 0.00 0.50 0.00 0.00 46.19 45.00 1t6w s LEU 63 CO 0.38 0.00 0.23 -0.75 -1.32 0.00 0.00 176.35 174.89 1t6w s LYS 64 N 1.32 2.63 0.04 1.98 2.36 0.24 -1.91 119.74 126.39 1t6w s LYS 64 Ca 0.04 -1.37 -0.23 0.00 -2.55 0.00 0.00 55.97 51.86 1t6w s LYS 64 Cb -0.14 -3.72 -0.06 0.00 -1.05 0.00 0.00 37.83 32.86 1t6w s LYS 64 CO -0.04 -0.88 0.69 0.42 1.55 0.00 0.00 175.35 177.10 1t6w s ILE 65 N 1.44 4.77 -0.13 5.43 1.01 -0.42 -1.08 121.20 132.21 1t6w s ILE 65 Ca 0.02 1.48 -0.07 0.00 0.00 0.00 0.00 60.65 62.07 1t6w s ILE 65 Cb -0.22 -4.04 -0.25 0.00 0.01 0.00 0.00 42.46 37.96 1t6w s ILE 65 CO 0.03 0.41 0.33 1.17 0.00 0.00 0.00 174.94 176.87 1t6w n LYS 66 N 2.62 0.74 -3.52 2.79 4.81 -0.34 -3.09 118.16 122.17 1t6w n LYS 66 Ca -0.05 0.28 -0.21 0.00 -0.87 0.00 0.00 58.31 57.46 1t6w n LYS 66 Cb 0.50 -1.70 -0.14 0.00 0.02 0.00 0.00 35.03 33.71 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 -7.01 1.74 0.53 3.14 3.84 -1.26 -4.02 114.94 111.89 1t6w s ASN 67 Ca -0.23 -0.39 -0.22 0.00 0.21 0.00 0.00 52.86 52.22 1t6w s ASN 67 Cb 0.07 0.19 -0.06 0.00 -0.55 0.00 0.00 41.25 40.90 1t6w s ASN 67 CO 0.75 -0.34 1.29 0.18 -2.79 0.00 0.00 177.10 176.19 1t6w n LEU 68 N 5.31 4.99 -3.79 3.21 4.77 -0.32 -4.65 117.00 126.52 1t6w n LEU 68 Ca -0.06 0.98 -0.10 0.00 -0.03 0.00 0.00 56.01 56.81 1t6w n LEU 68 Cb 0.49 -1.54 -0.07 0.00 -2.33 0.00 0.00 43.42 39.97 1t6w n LEU 68 CO 0.08 -0.75 -0.02 0.42 -1.33 0.00 0.00 177.39 175.79 1t6w s THR 69 N -1.30 0.11 0.13 -5.08 -4.23 -1.26 -0.71 115.64 103.31 1t6w s THR 69 Ca 0.70 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.98 1t6w s THR 69 Cb -0.44 -1.18 -0.06 0.00 1.34 0.00 0.00 72.50 72.16 1t6w s THR 69 CO 0.51 -0.52 1.58 0.03 -0.54 0.00 0.00 174.62 175.68 1t6w h ARG 70 N 2.84 -0.49 -0.13 3.99 2.47 -1.95 0.21 114.38 121.31 1t6w h ARG 70 Ca -0.33 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.46 1t6w h ARG 70 Cb 1.21 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.64 1t6w h ARG 70 CO 0.52 -0.33 0.31 0.22 0.56 0.00 0.00 179.97 181.25 1t6w h ASP 71 N -0.51 0.00 1.38 7.04 3.58 -2.01 0.54 116.42 126.43 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 0.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1t6w h ASP 71 CO -0.37 0.00 -0.10 -0.67 -2.88 0.00 0.00 179.24 175.21 1t6w n ASP 72 N -3.25 0.80 -4.76 2.28 2.03 0.69 -4.82 116.55 109.52 1t6w n ASP 72 Ca 0.01 0.50 -0.40 0.00 0.52 0.00 0.00 54.79 55.42 1t6w n ASP 72 Cb 0.40 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 40.11 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 7.38 0.00 1.67 1.04 0.19 -4.85 113.70 114.64 1t6w s SER 73 Ca 0.10 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1t6w s SER 73 Cb 0.12 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1t6w s SER 73 CO 0.62 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.58 1t6w n GLY 74 N 1.83 0.22 2.92 7.32 0.00 -0.40 -4.98 105.19 112.10 1t6w n GLY 74 Ca -0.04 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 0.68 0.10 2.61 2.01 -1.26 0.18 115.64 119.95 1t6w s THR 75 Ca 0.00 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1t6w s THR 75 Cb 0.00 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 1t6w s THR 75 CO 0.00 0.26 0.13 -0.31 -0.69 0.00 0.00 174.62 174.01 1t6w s TYR 76 N 0.86 3.28 -0.08 4.92 1.51 0.76 -4.36 117.35 124.25 1t6w s TYR 76 Ca -0.12 0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1t6w s TYR 76 Cb -0.15 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1t6w s TYR 76 CO 0.01 0.54 -0.04 -0.80 -1.11 0.00 0.00 175.55 174.14 1t6w s ASN 77 N -2.61 1.71 -0.18 2.29 0.01 0.39 -1.01 114.94 115.54 1t6w s ASN 77 Ca 0.31 -0.19 -0.05 0.00 -0.71 0.00 0.00 52.86 52.23 1t6w s ASN 77 Cb -0.12 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 40.90 1t6w s ASN 77 CO 0.24 -0.13 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.01 1t6w s VAL 78 N 1.59 4.06 -0.45 1.60 1.01 0.04 -0.92 120.40 127.33 1t6w s VAL 78 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 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 -0.05 0.46 0.23 -0.89 0.00 0.00 0.00 175.10 174.85 1t6w s THR 79 N 0.61 3.11 -0.08 3.92 2.01 -0.83 -1.37 115.64 123.03 1t6w s THR 79 Ca -0.01 -2.42 -0.22 0.00 0.31 0.00 0.00 61.69 59.35 1t6w s THR 79 Cb -0.14 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1t6w s THR 79 CO 0.02 -0.72 0.63 -0.69 -0.69 0.00 0.00 174.62 173.17 1t6w s VAL 80 N 0.71 5.08 0.16 3.82 1.01 0.15 -2.89 120.40 128.44 1t6w s VAL 80 Ca 0.11 1.30 0.09 0.00 0.00 0.00 0.00 61.98 63.48 1t6w s VAL 80 Cb -0.22 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1t6w s VAL 80 CO -0.04 0.28 -0.20 -0.31 0.00 0.00 0.00 175.10 174.83 1t6w s TYR 81 N 0.70 1.91 0.76 5.22 2.02 0.98 -0.93 117.35 128.01 1t6w s TYR 81 Ca 0.34 -0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 1t6w s TYR 81 Cb -0.17 -0.96 0.13 0.00 -0.40 0.00 0.00 41.96 40.55 1t6w s TYR 81 CO 0.16 0.35 1.06 -1.54 -1.57 0.00 0.00 175.55 174.01 1t6w s SER 82 N -2.58 4.20 0.60 2.29 1.04 0.05 -1.00 113.70 118.30 1t6w s SER 82 Ca 0.16 -0.04 0.37 0.00 0.48 0.00 0.00 55.95 56.91 1t6w s SER 82 Cb -0.07 -0.34 1.95 0.00 0.10 0.00 0.00 66.02 67.66 1t6w s SER 82 CO 0.07 -1.97 2.23 0.71 0.98 0.00 0.00 173.24 175.26 1t6w h THR 83 N -0.76 0.22 -0.63 2.02 1.35 -1.83 -1.35 112.91 111.93 1t6w h THR 83 Ca -0.40 -0.20 -0.21 0.00 -0.55 0.00 0.00 66.41 65.05 1t6w h THR 83 Cb 1.27 1.16 -0.12 0.00 -1.73 0.00 0.00 68.15 68.72 1t6w h THR 83 CO 0.44 0.03 0.26 0.59 -0.25 0.00 0.00 175.52 176.59 1t6w n ASN 84 N -3.35 4.22 -2.13 5.36 3.02 -1.26 -4.88 115.26 116.24 1t6w n ASN 84 Ca -0.02 -3.02 -0.17 0.00 -0.03 0.00 0.00 54.58 51.34 1t6w n ASN 84 Cb 0.15 -0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 38.57 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 -0.15 0.19 3.94 7.41 0.00 -0.51 -4.96 105.19 111.11 1t6w n GLY 85 Ca 0.35 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.75 5.18 -0.42 2.61 2.01 -1.26 -4.84 115.64 116.18 1t6w s THR 86 Ca 0.00 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1t6w s THR 86 Cb 0.00 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1t6w s THR 86 CO 0.00 -0.35 1.23 -0.13 -0.69 0.00 0.00 174.62 174.68 1t6w s ARG 87 N -3.84 3.75 -0.23 4.92 3.00 -1.26 -0.77 118.95 124.51 1t6w s ARG 87 Ca 0.38 0.81 -0.19 0.00 0.00 0.00 0.00 55.73 56.73 1t6w s ARG 87 Cb -0.10 -3.92 -0.17 0.00 0.00 0.00 0.00 34.95 30.76 1t6w s ARG 87 CO 0.31 -1.35 0.04 -0.89 0.00 0.00 0.00 175.30 173.42 1t6w n ILE 88 N 6.72 1.54 -3.66 1.52 2.08 -0.10 -4.91 119.36 122.55 1t6w n ILE 88 Ca 0.14 -0.15 -0.15 0.00 0.56 0.00 0.00 62.75 63.14 1t6w n ILE 88 Cb 0.48 -1.98 -0.08 0.00 -0.75 0.00 0.00 39.64 37.31 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1t6w s LEU 89 N -7.74 0.20 -0.19 1.39 0.20 -0.77 -5.00 118.68 106.77 1t6w s LEU 89 Ca -0.32 0.41 -0.05 0.00 0.69 0.00 0.00 54.13 54.87 1t6w s LEU 89 Cb 0.09 1.80 0.07 0.00 -0.43 0.00 0.00 46.19 47.72 1t6w s LEU 89 CO 0.56 -0.49 0.11 0.21 -0.29 0.00 0.00 176.35 176.46 1t6w s ASN 90 N -1.14 2.42 0.26 3.68 3.04 -1.26 0.32 114.94 122.27 1t6w s ASN 90 Ca -0.11 -0.68 0.12 0.00 0.04 0.00 0.00 52.86 52.22 1t6w s ASN 90 Cb -0.03 -0.18 -0.05 0.00 -1.54 0.00 0.00 41.25 39.45 1t6w s ASN 90 CO 0.06 -0.36 -0.20 -0.54 -3.04 0.00 0.00 177.10 173.02 1t6w s LYS 91 N 2.16 1.63 -0.05 0.43 -0.14 -0.47 -4.98 119.74 118.32 1t6w s LYS 91 Ca 0.04 -1.72 -0.02 0.00 -1.36 0.00 0.00 55.97 52.90 1t6w s LYS 91 Cb -0.16 -1.73 0.03 0.00 -1.68 0.00 0.00 37.83 34.30 1t6w s LYS 91 CO -0.14 0.33 0.08 0.00 -0.76 0.00 0.00 175.35 174.86 1t6w s ALA 92 N -2.43 0.11 0.29 5.17 0.00 -1.26 -0.78 121.76 122.86 1t6w s ALA 92 Ca 0.28 0.30 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1t6w s ALA 92 Cb -0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1t6w s ALA 92 CO 0.14 -0.44 -0.15 -0.51 0.00 0.00 0.00 175.76 174.79 1t6w s LEU 93 N 2.01 2.63 -0.18 0.00 1.02 -0.18 -2.45 118.68 121.53 1t6w s LEU 93 Ca 0.02 -1.09 -0.03 0.00 0.02 0.00 0.00 54.13 53.04 1t6w s LEU 93 Cb -0.12 -1.00 -0.02 0.00 0.02 0.00 0.00 46.19 45.07 1t6w s LEU 93 CO -0.04 -0.08 -0.05 -1.81 0.02 0.00 0.00 176.35 174.40 1t6w s ASP 94 N -3.52 4.53 -0.46 2.29 1.11 0.32 -0.17 116.67 120.77 1t6w s ASP 94 Ca 0.30 -0.26 -0.10 0.00 0.18 0.00 0.00 52.55 52.68 1t6w s ASP 94 Cb -0.02 -1.75 0.11 0.00 1.07 0.00 0.00 42.92 42.33 1t6w s ASP 94 CO 0.15 0.09 0.33 -0.22 1.18 0.00 0.00 175.17 176.69 1t6w s LEU 95 N 0.84 5.57 -0.43 1.23 0.20 0.13 -0.21 118.68 125.99 1t6w s LEU 95 Ca -0.01 -1.78 -0.17 0.00 0.69 0.00 0.00 54.13 52.86 1t6w s LEU 95 Cb -0.15 -2.02 0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1t6w s LEU 95 CO 0.02 -0.66 0.43 -0.13 -0.29 0.00 0.00 176.35 175.72 1t6w s ARG 96 N 1.40 3.06 -0.30 1.98 1.81 -0.16 -1.28 118.95 125.46 1t6w s ARG 96 Ca 0.05 -0.89 -0.05 0.00 -1.72 0.00 0.00 55.73 53.12 1t6w s ARG 96 Cb -0.25 -4.00 0.02 0.00 -0.45 0.00 0.00 34.95 30.26 1t6w s ARG 96 CO 0.00 -0.90 0.05 0.42 -0.68 0.00 0.00 175.30 174.20 1t6w s ILE 97 N 2.06 3.64 -0.04 1.52 1.01 -1.26 -1.34 121.20 126.78 1t6w s ILE 97 Ca 0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 1t6w s ILE 97 Cb -0.18 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1t6w s ILE 97 CO 0.12 0.03 1.60 -0.76 0.00 0.00 0.00 174.94 175.93 1t6w s LEU 98 N 1.42 4.32 0.00 2.97 1.43 0.13 -4.69 118.68 124.26 1t6w s LEU 98 Ca 0.01 2.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 1t6w s LEU 98 Cb -0.18 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.53 1t6w s LEU 98 CO 0.01 -0.89 0.53 -0.62 0.23 0.00 0.00 176.35 175.61