#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2w s GLN 8 N 0.00 4.14 -0.27 1.64 2.00 -1.26 -5.05 119.66 120.86 2w2w s GLN 8 Ca 0.00 -0.24 -0.27 0.00 -2.00 0.00 0.00 55.36 52.84 2w2w s GLN 8 Cb 0.00 -3.42 0.17 0.00 0.80 0.00 0.00 33.01 30.56 2w2w s GLN 8 CO 0.00 0.25 1.30 -1.14 -0.50 0.00 0.00 175.29 175.20 2w2w s GLN 9 N 0.50 0.19 0.00 1.67 -0.44 -1.26 -1.48 119.66 118.83 2w2w s GLN 9 Ca 0.07 0.12 0.00 0.00 -2.50 0.00 0.00 55.36 53.05 2w2w s GLN 9 Cb -0.12 0.09 0.00 0.00 -1.64 0.00 0.00 33.01 31.34 2w2w s GLN 9 CO -0.01 -0.04 0.00 0.41 0.50 0.00 0.00 175.29 176.15 2w2w n GLY 10 N 1.12 -1.43 3.81 2.59 0.00 -0.76 -5.02 105.19 105.51 2w2w n GLY 10 Ca -0.07 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 2w2w n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2w2w s GLU 11 N -1.12 4.30 0.05 1.61 -1.05 -1.26 -1.21 118.70 120.01 2w2w s GLU 11 Ca 0.00 1.08 -0.04 0.00 -0.15 0.00 0.00 54.97 55.86 2w2w s GLU 11 Cb 0.00 -2.48 -0.02 0.00 -0.44 0.00 0.00 34.13 31.19 2w2w s GLU 11 CO 0.00 0.14 0.06 -0.51 0.95 0.00 0.00 175.26 175.90 2w2w s LEU 12 N -2.68 1.99 0.13 1.83 1.43 0.32 -4.92 118.68 116.79 2w2w s LEU 12 Ca 0.55 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 2w2w s LEU 12 Cb -0.13 0.52 -0.07 0.00 0.03 0.00 0.00 46.19 46.55 2w2w s LEU 12 CO 0.18 -0.58 0.55 -0.31 0.23 0.00 0.00 176.35 176.43 2w2w s TYR 13 N -3.27 3.65 0.04 0.29 1.51 0.54 -0.76 117.35 119.34 2w2w s TYR 13 Ca 0.01 1.10 0.08 0.00 -1.01 0.00 0.00 57.07 57.25 2w2w s TYR 13 Cb 0.03 -2.40 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 2w2w s TYR 13 CO -0.08 0.46 -0.22 -1.64 -1.11 0.00 0.00 175.55 172.97 2w2w s MET 14 N -1.78 1.51 -0.38 -0.62 -1.94 0.41 -1.78 119.30 114.72 2w2w s MET 14 Ca 0.36 -0.95 -0.21 0.00 -1.71 0.00 0.00 55.69 53.18 2w2w s MET 14 Cb -0.16 -1.62 0.01 0.00 2.01 0.00 0.00 34.83 35.07 2w2w s MET 14 CO 0.19 0.42 0.64 -0.46 -0.01 0.00 0.00 175.02 175.80 2w2w s TRP 15 N -0.76 3.12 -0.51 -0.03 -0.00 -0.76 -1.15 118.94 118.85 2w2w s TRP 15 Ca 0.08 0.25 -0.21 0.00 -0.00 0.00 0.00 56.10 56.22 2w2w s TRP 15 Cb -0.09 -3.21 0.05 0.00 -0.00 0.00 0.00 33.47 30.22 2w2w s TRP 15 CO 0.01 -0.70 0.76 0.34 -0.00 0.00 0.00 176.95 177.37 2w2w s ASP 16 N 1.85 6.29 0.00 5.86 2.15 -0.97 -4.75 116.67 127.11 2w2w s ASP 16 Ca 0.24 -0.59 0.10 0.00 0.43 0.00 0.00 52.55 52.74 2w2w s ASP 16 Cb -0.14 -2.35 0.58 0.00 -0.30 0.00 0.00 42.92 40.70 2w2w s ASP 16 CO 0.16 -1.01 1.10 -1.54 -0.17 0.00 0.00 175.17 173.71 2w2w n SER 17 N 6.71 0.00 -0.01 -0.34 3.41 -1.26 -1.59 113.62 120.53 2w2w n SER 17 Ca -0.02 -0.18 -0.01 0.00 -0.26 0.00 0.00 58.87 58.40 2w2w n SER 17 Cb 0.47 -0.09 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2w2w n SER 17 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2w2w n ILE 18 N -1.09 0.13 1.01 -1.33 -0.00 -1.26 -4.36 119.36 112.46 2w2w n ILE 18 Ca 0.07 0.47 0.08 0.00 -0.00 0.00 0.00 62.75 63.37 2w2w n ILE 18 Cb 0.05 -1.58 0.48 0.00 -0.00 0.00 0.00 39.64 38.59 2w2w n ILE 18 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2w2w n ASP 19 N -2.55 0.00 -4.05 4.38 10.43 -1.21 -4.86 116.55 118.70 2w2w n ASP 19 Ca -0.01 -0.50 -0.28 0.00 2.57 0.00 0.00 54.79 56.57 2w2w n ASP 19 Cb 0.03 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.95 2w2w n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2w n GLN 20 N -1.00 -2.95 -3.94 -1.24 1.13 -0.62 -4.97 117.38 103.78 2w2w n GLN 20 Ca 0.12 0.36 -0.08 0.00 -1.94 0.00 0.00 57.00 55.45 2w2w n GLN 20 Cb 0.06 -4.48 -0.08 0.00 0.11 0.00 0.00 30.24 25.84 2w2w n GLN 20 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2w2w s LYS 21 N -6.73 0.74 0.11 -1.09 -0.14 -1.22 -5.03 119.74 106.39 2w2w s LYS 21 Ca 0.12 -1.02 -0.20 0.00 -1.36 0.00 0.00 55.97 53.51 2w2w s LYS 21 Cb -0.06 0.29 -0.07 0.00 -1.68 0.00 0.00 37.83 36.30 2w2w s LYS 21 CO 0.91 -0.20 0.62 -1.58 -0.76 0.00 0.00 175.35 174.34 2w2w s TRP 22 N -3.74 3.79 0.07 3.18 0.52 -1.26 -2.29 118.94 119.21 2w2w s TRP 22 Ca 0.05 1.33 0.06 0.00 0.02 0.00 0.00 56.10 57.56 2w2w s TRP 22 Cb 0.05 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.80 2w2w s TRP 22 CO -0.10 0.53 -0.17 0.95 0.02 0.00 0.00 176.95 178.18 2w2w s THR 23 N -1.20 1.40 -0.23 2.01 -4.23 -0.30 -4.92 115.64 108.17 2w2w s THR 23 Ca 0.33 -1.34 -0.21 0.00 -1.18 0.00 0.00 61.69 59.29 2w2w s THR 23 Cb -0.19 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 2w2w s THR 23 CO 0.21 -0.08 0.63 -0.13 -0.54 0.00 0.00 174.62 174.71 2w2w s ARG 24 N -1.64 4.15 0.04 3.99 0.52 -1.26 -0.45 118.95 124.30 2w2w s ARG 24 Ca 0.03 0.58 0.06 0.00 -0.52 0.00 0.00 55.73 55.88 2w2w s ARG 24 Cb -0.10 -3.62 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 2w2w s ARG 24 CO 0.03 -0.34 -0.16 -1.01 0.02 0.00 0.00 175.30 173.84 2w2w s HIS 25 N 2.26 1.40 -0.15 -0.53 3.76 0.06 -1.48 115.29 120.60 2w2w s HIS 25 Ca 0.27 -0.35 -0.21 0.00 -0.15 0.00 0.00 55.06 54.62 2w2w s HIS 25 Cb -0.16 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 2w2w s HIS 25 CO 0.09 0.05 0.64 0.12 -0.85 0.00 0.00 174.74 174.79 2w2w s PHE 26 N -0.81 3.44 0.18 1.40 5.36 -1.26 -0.52 117.98 125.77 2w2w s PHE 26 Ca 0.03 1.02 0.07 0.00 -0.96 0.00 0.00 56.93 57.09 2w2w s PHE 26 Cb -0.08 -2.78 -0.04 0.00 -0.34 0.00 0.00 43.02 39.78 2w2w s PHE 26 CO 0.01 -0.07 -0.14 0.00 -1.46 0.00 0.00 175.22 173.56 2w2w s ALA 28 N -2.84 -0.76 -0.19 0.00 0.00 -0.79 -1.83 121.76 115.36 2w2w s ALA 28 Ca 0.19 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2w2w s ALA 28 Cb -0.01 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.45 2w2w s ALA 28 CO 0.05 -0.41 -0.14 0.42 0.00 0.00 0.00 175.76 175.68 2w2w s ILE 29 N -2.47 1.82 -0.02 0.00 1.01 -0.55 -0.98 121.20 120.02 2w2w s ILE 29 Ca -0.05 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.65 2w2w s ILE 29 Cb -0.01 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.67 2w2w s ILE 29 CO -0.03 0.32 -0.14 0.00 0.00 0.00 0.00 174.94 175.10 2w2w s ALA 30 N 1.35 1.18 0.00 9.38 0.00 -0.69 -4.30 121.76 128.67 2w2w s ALA 30 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2w2w s ALA 30 Cb -0.15 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2w2w s ALA 30 CO -0.10 0.27 0.00 -0.25 0.00 0.00 0.00 175.76 175.69 2w2w n ASP 31 N 2.82 0.00 -1.23 0.00 10.43 -1.26 -0.46 116.55 126.85 2w2w n ASP 31 Ca -0.15 0.00 -0.07 0.00 2.57 0.00 0.00 54.79 57.14 2w2w n ASP 31 Cb 0.55 0.00 0.13 0.00 1.84 0.00 0.00 41.12 43.64 2w2w n ASP 31 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w2w n ALA 32 N 11.56 4.31 -2.61 2.24 0.00 -1.26 -5.02 120.51 129.73 2w2w n ALA 32 Ca 0.00 -3.48 -0.27 0.00 0.00 0.00 0.00 53.44 49.69 2w2w n ALA 32 Cb 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 2w2w n ALA 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2w2w s LYS 33 N -3.39 1.72 -0.21 0.00 0.00 0.39 -1.16 119.74 117.08 2w2w s LYS 33 Ca 0.44 -0.69 -0.03 0.00 0.00 0.00 0.00 55.97 55.70 2w2w s LYS 33 Cb 0.39 -1.59 -0.00 0.00 0.00 0.00 0.00 37.83 36.63 2w2w s LYS 33 CO -0.02 0.36 -0.08 -1.17 0.00 0.00 0.00 175.35 174.45 2w2w s LEU 34 N -0.29 2.74 0.02 2.77 0.20 -0.13 -1.71 118.68 122.29 2w2w s LEU 34 Ca 0.03 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.42 2w2w s LEU 34 Cb -0.09 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 2w2w s LEU 34 CO 0.00 -0.02 -0.00 -0.94 -0.29 0.00 0.00 176.35 175.10 2w2w s SER 35 N 1.44 5.06 -0.02 3.68 1.04 -0.15 -0.52 113.70 124.24 2w2w s SER 35 Ca 0.06 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.43 2w2w s SER 35 Cb -0.14 -1.29 0.01 0.00 0.10 0.00 0.00 66.02 64.71 2w2w s SER 35 CO -0.05 0.26 -0.01 0.72 0.98 0.00 0.00 173.24 175.14 2w2w s PHE 36 N -1.13 0.24 0.66 5.02 -0.12 -0.75 -1.88 117.98 120.02 2w2w s PHE 36 Ca 0.21 -0.01 -0.08 0.00 -0.05 0.00 0.00 56.93 57.00 2w2w s PHE 36 Cb -0.12 -0.27 0.15 0.00 -0.63 0.00 0.00 43.02 42.15 2w2w s PHE 36 CO 0.12 -0.07 0.90 -1.13 -0.05 0.00 0.00 175.22 174.99 2w2w n SER 37 N 3.64 0.42 -4.86 1.98 3.41 -0.79 -2.01 113.62 115.41 2w2w n SER 37 Ca -0.21 -1.54 -0.29 0.00 -0.26 0.00 0.00 58.87 56.57 2w2w n SER 37 Cb 0.54 -0.66 0.08 0.00 -0.26 0.00 0.00 64.21 63.92 2w2w n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2w2w s ASP 38 N -4.40 4.63 -0.50 4.04 1.01 -0.87 -4.62 116.67 115.96 2w2w s ASP 38 Ca 0.54 1.03 -0.36 0.00 0.71 0.00 0.00 52.55 54.47 2w2w s ASP 38 Cb -0.02 -1.68 -0.14 0.00 1.01 0.00 0.00 42.92 42.09 2w2w s ASP 38 CO 0.37 -1.85 2.28 -0.67 0.21 0.00 0.00 175.17 175.51 2w2w n ASP 39 N -3.32 1.53 0.00 0.27 -0.08 -1.26 -4.63 116.55 109.06 2w2w n ASP 39 Ca 0.07 0.35 0.10 0.00 -1.51 0.00 0.00 54.79 53.80 2w2w n ASP 39 Cb 0.59 -1.15 0.55 0.00 2.34 0.00 0.00 41.12 43.44 2w2w n ASP 39 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2w2w n ILE 40 N 7.16 0.13 0.03 5.18 -5.35 -0.55 -1.78 119.36 124.18 2w2w n ILE 40 Ca 0.48 0.03 -0.02 0.00 -0.27 0.00 0.00 62.75 62.98 2w2w n ILE 40 Cb 0.16 -0.72 -0.08 0.00 -1.74 0.00 0.00 39.64 37.26 2w2w n ILE 40 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2w2w h GLU 41 N 0.00 0.00 -1.98 6.28 5.08 -1.86 -3.41 114.58 118.69 2w2w h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2w2w h GLU 41 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2w2w h GLU 41 CO 0.00 0.37 0.00 1.04 -1.00 0.00 0.00 179.01 179.42 2w2w n GLN 42 N -2.96 0.56 0.00 2.33 6.02 -0.74 -5.19 117.38 117.40 2w2w n GLN 42 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2w2w n GLN 42 Cb 0.87 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.91 2w2w n GLN 42 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2w2w n THR 43 N 1.69 0.00 -2.09 5.09 -2.24 -1.26 -5.07 114.28 110.40 2w2w n THR 43 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2w2w n THR 43 Cb 0.28 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 2w2w n THR 43 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2w2w s LEU 50 N 0.00 3.15 0.00 3.22 0.05 -1.26 -5.23 118.68 118.61 2w2w s LEU 50 Ca 0.00 -1.18 0.00 0.00 0.05 0.00 0.00 54.13 53.00 2w2w s LEU 50 Cb 0.00 -2.57 0.00 0.00 -2.05 0.00 0.00 46.19 41.57 2w2w s LEU 50 CO 0.00 -2.80 0.00 0.61 -0.55 0.00 0.00 176.35 173.61 2w2w n GLY 51 N 6.36 0.91 3.17 -3.48 0.00 -1.26 -5.14 105.19 105.75 2w2w n GLY 51 Ca 0.42 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2w2w n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2w2w s SER 52 N -2.02 1.37 -0.05 1.61 0.15 -1.26 -5.04 113.70 108.46 2w2w s SER 52 Ca 0.00 -0.85 0.13 0.00 0.70 0.00 0.00 55.95 55.93 2w2w s SER 52 Cb 0.00 0.03 0.45 0.00 -1.71 0.00 0.00 66.02 64.79 2w2w s SER 52 CO 0.00 -0.31 1.33 -0.11 1.20 0.00 0.00 173.24 175.36 2w2w n LEU 53 N 0.45 2.99 -2.71 3.45 0.00 -1.26 -2.05 117.00 117.87 2w2w n LEU 53 Ca -0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 56.01 54.28 2w2w n LEU 53 Cb 0.58 -0.41 0.09 0.00 0.00 0.00 0.00 43.42 43.69 2w2w n LEU 53 CO 0.27 0.59 0.47 0.00 0.00 0.00 0.00 177.39 178.72 2w2w n ARG 55 N 0.13 0.02 -3.56 0.00 1.74 -0.85 -4.77 116.66 109.36 2w2w n ARG 55 Ca -0.00 0.28 -0.12 0.00 -0.77 0.00 0.00 57.85 57.24 2w2w n ARG 55 Cb 0.74 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 2w2w n ARG 55 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2w2w s GLY 56 N -2.96 -0.33 -0.03 -0.13 0.00 -1.12 -5.04 107.32 97.71 2w2w s GLY 56 Ca 0.06 1.83 0.00 0.00 0.00 0.00 0.00 44.72 46.62 2w2w s GLY 56 CO 0.22 0.97 0.01 -0.42 0.00 0.00 0.00 173.10 173.88 2w2w s ILE 57 N -1.27 0.14 -0.11 0.90 1.01 -1.26 -1.81 121.20 118.80 2w2w s ILE 57 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 2w2w s ILE 57 Cb -0.00 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2w2w s ILE 57 CO 0.02 0.15 -0.05 -0.76 0.00 0.00 0.00 174.94 174.30 2w2w s LEU 58 N 1.15 3.26 -0.59 2.97 1.43 0.33 -4.95 118.68 122.29 2w2w s LEU 58 Ca -0.08 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 2w2w s LEU 58 Cb -0.13 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.42 2w2w s LEU 58 CO -0.02 0.28 0.77 -0.62 0.23 0.00 0.00 176.35 176.99 2w2w s ASP 59 N -0.33 6.20 0.54 2.29 -1.08 -1.26 -0.95 116.67 122.08 2w2w s ASP 59 Ca 0.05 -1.13 0.22 0.00 -0.52 0.00 0.00 52.55 51.17 2w2w s ASP 59 Cb -0.12 -2.34 1.42 0.00 -1.46 0.00 0.00 42.92 40.42 2w2w s ASP 59 CO 0.02 -1.15 2.12 -0.07 0.52 0.00 0.00 175.17 176.61 2w2w h LEU 60 N 10.33 0.00 -2.07 -1.34 3.38 -1.50 0.12 115.31 124.22 2w2w h LEU 60 Ca -0.29 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.79 2w2w h LEU 60 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2w2w h LEU 60 CO 1.09 0.00 0.30 0.78 0.09 0.00 0.00 178.44 180.70 2w2w h ASN 61 N 0.00 0.00 0.41 -0.43 2.35 -1.90 0.54 115.58 116.55 2w2w h ASN 61 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2w2w h ASN 61 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2w2w h ASN 61 CO -0.00 0.00 -0.70 0.35 -1.65 0.00 0.00 177.43 175.43 2w2w n THR 62 N -4.07 0.05 -3.92 2.81 -2.24 0.41 -4.95 114.28 102.36 2w2w n THR 62 Ca 0.06 -0.06 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2w2w n THR 62 Cb 0.47 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 2w2w n THR 62 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2w2w s TYR 63 N -3.04 2.47 0.09 4.78 1.51 0.18 -2.12 117.35 121.22 2w2w s TYR 63 Ca 0.09 -0.61 0.04 0.00 -1.01 0.00 0.00 57.07 55.58 2w2w s TYR 63 Cb 0.16 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2w2w s TYR 63 CO 0.75 -0.02 -0.10 -0.80 -1.11 0.00 0.00 175.55 174.27 2w2w s ASN 64 N -4.04 1.40 -0.21 2.29 0.02 0.31 -4.92 114.94 109.79 2w2w s ASN 64 Ca 0.41 -0.78 -0.04 0.00 -1.02 0.00 0.00 52.86 51.43 2w2w s ASN 64 Cb 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 41.25 41.27 2w2w s ASN 64 CO 0.24 -0.25 -0.03 0.68 0.02 0.00 0.00 177.10 177.75 2w2w s VAL 65 N -2.30 3.57 0.11 1.60 -7.23 -1.26 -1.12 120.40 113.76 2w2w s VAL 65 Ca 0.04 -0.44 0.09 0.00 -1.81 0.00 0.00 61.98 59.86 2w2w s VAL 65 Cb -0.04 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2w2w s VAL 65 CO 0.00 0.43 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.34 2w2w s VAL 66 N 1.26 2.78 0.13 1.32 1.01 -0.51 -4.96 120.40 121.43 2w2w s VAL 66 Ca 0.03 -1.50 0.04 0.00 0.00 0.00 0.00 61.98 60.55 2w2w s VAL 66 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2w2w s VAL 66 CO -0.01 0.12 0.15 -0.75 0.00 0.00 0.00 175.10 174.61 2w2w s LYS 67 N -2.08 3.01 -0.38 2.72 2.20 -1.26 -0.74 119.74 123.20 2w2w s LYS 67 Ca 0.17 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 55.00 2w2w s LYS 67 Cb -0.11 -2.74 0.09 0.00 -1.51 0.00 0.00 37.83 33.56 2w2w s LYS 67 CO 0.09 0.52 0.16 0.00 -0.36 0.00 0.00 175.35 175.77 2w2w s ALA 68 N -1.63 3.10 0.10 3.13 0.00 -1.12 -4.95 121.76 120.39 2w2w s ALA 68 Ca 0.31 -2.31 -0.26 0.00 0.00 0.00 0.00 51.96 49.70 2w2w s ALA 68 Cb -0.11 -2.34 -0.11 0.00 0.00 0.00 0.00 23.12 20.57 2w2w s ALA 68 CO 0.24 -1.66 1.66 -1.35 0.00 0.00 0.00 175.76 174.65 2w2w h PRO 69 N 8.08 -0.39 0.00 0.00 0.11 -1.95 0.70 132.00 138.55 2w2w h PRO 69 Ca -0.16 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2w2w h PRO 69 Cb 1.06 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2w2w h PRO 69 CO 0.67 -0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 2w2w n GLN 70 N -5.32 0.03 0.00 1.05 0.00 -1.26 -4.99 117.38 106.88 2w2w n GLN 70 Ca -0.07 0.30 0.00 0.00 0.00 0.00 0.00 57.00 57.22 2w2w n GLN 70 Cb 0.24 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 28.92 2w2w n GLN 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2w2w n GLY 71 N -0.13 -1.74 3.60 2.61 0.00 0.24 -4.96 105.19 104.81 2w2w n GLY 71 Ca 0.03 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 2w2w n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2w2w s LYS 72 N 0.00 0.75 -1.45 1.61 2.20 -1.00 -4.91 119.74 116.94 2w2w s LYS 72 Ca 0.00 0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 56.22 2w2w s LYS 72 Cb 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 2w2w s LYS 72 CO 0.00 -0.15 0.26 0.09 -0.36 0.00 0.00 175.35 175.19 2w2w n ASN 73 N 1.93 0.06 -0.35 1.43 3.02 -1.26 -1.03 115.26 119.06 2w2w n ASN 73 Ca -0.14 -1.12 -0.05 0.00 -0.03 0.00 0.00 54.58 53.24 2w2w n ASN 73 Cb 0.56 -2.45 -0.02 0.00 -0.61 0.00 0.00 39.78 37.26 2w2w n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w2w n GLN 74 N -4.48 -1.31 -4.44 3.52 10.64 -1.26 -4.98 117.38 115.07 2w2w n GLN 74 Ca -0.31 0.56 -0.34 0.00 -1.83 0.00 0.00 57.00 55.08 2w2w n GLN 74 Cb 0.69 -4.65 -0.12 0.00 -0.86 0.00 0.00 30.24 25.30 2w2w n GLN 74 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2w2w s LYS 75 N -1.98 3.55 0.18 2.61 -0.14 -0.20 -5.04 119.74 118.71 2w2w s LYS 75 Ca 0.00 -0.52 -0.01 0.00 -1.36 0.00 0.00 55.97 54.07 2w2w s LYS 75 Cb 0.00 -2.87 0.07 0.00 -1.68 0.00 0.00 37.83 33.35 2w2w s LYS 75 CO 0.00 0.30 1.44 0.77 -0.76 0.00 0.00 175.35 177.10 2w2w h SER 76 N 6.49 0.47 -3.54 2.83 0.02 -1.88 -2.64 113.55 115.30 2w2w h SER 76 Ca -0.33 -0.31 -0.62 0.00 -0.84 0.00 0.00 61.79 59.69 2w2w h SER 76 Cb 1.19 -0.14 -0.39 0.00 0.14 0.00 0.00 62.40 63.20 2w2w h SER 76 CO 0.61 1.04 -0.76 -0.36 -1.14 0.00 0.00 176.83 176.22 2w2w s PHE 77 N -3.63 2.61 0.05 3.45 0.08 -1.26 -4.36 117.98 114.91 2w2w s PHE 77 Ca -0.06 -2.09 0.02 0.00 0.12 0.00 0.00 56.93 54.92 2w2w s PHE 77 Cb 0.11 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 2w2w s PHE 77 CO 0.84 -0.85 -0.07 0.14 -0.10 0.00 0.00 175.22 175.18 2w2w s VAL 78 N 1.31 0.50 0.23 -0.44 -7.23 -1.26 -1.54 120.40 111.97 2w2w s VAL 78 Ca 0.02 -1.21 0.10 0.00 -1.81 0.00 0.00 61.98 59.09 2w2w s VAL 78 Cb -0.19 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 2w2w s VAL 78 CO -0.11 -0.49 -0.19 0.72 -0.31 0.00 0.00 175.10 174.72 2w2w s PHE 79 N -1.80 2.08 -0.05 2.82 -0.71 -0.55 -2.79 117.98 116.99 2w2w s PHE 79 Ca -0.07 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 2w2w s PHE 79 Cb -0.07 -0.95 0.01 0.00 -1.21 0.00 0.00 43.02 40.79 2w2w s PHE 79 CO -0.01 0.54 -0.11 0.42 -1.34 0.00 0.00 175.22 174.72 2w2w s ILE 80 N -2.44 1.03 -0.66 -4.49 1.01 0.08 -1.70 121.20 114.03 2w2w s ILE 80 Ca 0.25 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2w2w s ILE 80 Cb -0.04 -0.93 0.14 0.00 0.01 0.00 0.00 42.46 41.64 2w2w s ILE 80 CO 0.11 0.32 0.70 -0.76 0.00 0.00 0.00 174.94 175.32 2w2w s LEU 81 N 0.43 5.86 -0.15 2.97 1.02 -0.43 -1.42 118.68 126.95 2w2w s LEU 81 Ca -0.09 -1.85 -0.09 0.00 0.02 0.00 0.00 54.13 52.12 2w2w s LEU 81 Cb -0.13 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.77 2w2w s LEU 81 CO 0.02 -0.93 0.15 -1.83 0.02 0.00 0.00 176.35 173.78 2w2w s GLU 82 N 1.87 3.78 0.76 1.70 -1.05 -0.28 -2.24 118.70 123.23 2w2w s GLU 82 Ca 0.13 -0.14 -0.10 0.00 -0.15 0.00 0.00 54.97 54.70 2w2w s GLU 82 Cb -0.21 -3.29 0.06 0.00 -0.44 0.00 0.00 34.13 30.25 2w2w s GLU 82 CO 0.01 0.57 1.12 -1.25 0.95 0.00 0.00 175.26 176.65 2w2w s PRO 83 N -0.43 2.23 0.00 -4.83 0.05 -1.26 -0.53 135.00 130.23 2w2w s PRO 83 Ca 0.13 0.10 0.18 0.00 0.05 0.00 0.00 61.00 61.46 2w2w s PRO 83 Cb -0.12 -2.02 0.32 0.00 0.05 0.00 0.00 34.50 32.73 2w2w s PRO 83 CO 0.02 -1.37 1.25 1.63 0.05 0.00 0.00 177.00 178.58 2w2w n LYS 84 N -3.14 2.15 0.00 4.56 4.76 -0.90 -4.51 118.16 121.08 2w2w n LYS 84 Ca 0.08 -1.99 0.05 0.00 -2.87 0.00 0.00 58.31 53.57 2w2w n LYS 84 Cb 0.60 -1.40 0.22 0.00 -1.84 0.00 0.00 35.03 32.61 2w2w n LYS 84 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2w2w n GLN 85 N 1.13 0.03 -0.70 1.97 -0.00 -1.26 -4.78 117.38 113.78 2w2w n GLN 85 Ca 0.15 0.30 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 2w2w n GLN 85 Cb 0.51 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 29.25 2w2w n GLN 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2w2w n GLN 86 N -1.46 -0.62 0.00 2.61 1.13 -1.26 -4.93 117.38 112.85 2w2w n GLN 86 Ca 0.03 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 2w2w n GLN 86 Cb 0.11 -4.51 0.00 0.00 0.11 0.00 0.00 30.24 25.95 2w2w n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2w2w n GLY 87 N -1.09 -2.88 0.00 1.08 0.00 -1.26 -5.10 105.19 95.93 2w2w n GLY 87 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2w2w n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2w2w n ASP 88 N 0.00 0.00 -4.36 1.61 5.68 -1.26 -5.11 116.55 113.10 2w2w n ASP 88 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.08 2w2w n ASP 88 Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 2w2w n ASP 88 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2w2w s PRO 89 N -1.25 1.37 0.27 0.11 0.05 -1.26 -5.07 135.00 129.22 2w2w s PRO 89 Ca 0.00 -1.56 -0.29 0.00 0.05 0.00 0.00 61.00 59.20 2w2w s PRO 89 Cb 0.00 -1.31 -0.09 0.00 0.05 0.00 0.00 34.50 33.15 2w2w s PRO 89 CO 0.00 0.24 0.94 -2.14 0.05 0.00 0.00 177.00 176.09 2w2w s PRO 90 N -3.34 4.76 -0.23 0.56 0.02 -1.26 -4.66 135.00 130.86 2w2w s PRO 90 Ca 0.22 1.43 -0.09 0.00 0.02 0.00 0.00 61.00 62.58 2w2w s PRO 90 Cb -0.03 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 2w2w s PRO 90 CO 0.08 0.44 0.13 0.08 -0.33 0.00 0.00 177.00 177.39 2w2w s VAL 91 N -1.33 5.07 -0.26 3.83 1.01 -0.95 -4.99 120.40 122.78 2w2w s VAL 91 Ca 0.44 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2w2w s VAL 91 Cb -0.23 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.81 2w2w s VAL 91 CO 0.29 0.37 -0.01 -1.61 0.00 0.00 0.00 175.10 174.14 2w2w s GLU 92 N 1.02 3.05 0.21 2.72 2.02 -1.26 -1.31 118.70 125.15 2w2w s GLU 92 Ca 0.06 -0.85 0.06 0.00 0.02 0.00 0.00 54.97 54.26 2w2w s GLU 92 Cb -0.14 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 2w2w s GLU 92 CO 0.04 -0.36 0.15 -0.06 0.02 0.00 0.00 175.26 175.04 2w2w s PHE 93 N 1.42 3.09 0.00 1.61 0.40 -0.69 -1.83 117.98 121.98 2w2w s PHE 93 Ca 0.02 -0.08 -0.20 0.00 -0.60 0.00 0.00 56.93 56.08 2w2w s PHE 93 Cb -0.16 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 41.97 2w2w s PHE 93 CO -0.02 0.52 0.44 0.00 0.70 0.00 0.00 175.22 176.87 2w2w s ALA 94 N -1.95 -1.11 0.28 5.36 0.00 -0.74 -1.48 121.76 122.13 2w2w s ALA 94 Ca 0.32 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.85 2w2w s ALA 94 Cb -0.09 0.18 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 2w2w s ALA 94 CO 0.24 -0.37 0.07 0.95 0.00 0.00 0.00 175.76 176.64 2w2w s THR 95 N -1.81 0.90 -0.11 0.00 -4.23 -0.59 -0.34 115.64 109.47 2w2w s THR 95 Ca -0.09 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.31 2w2w s THR 95 Cb -0.02 -2.67 -0.08 0.00 1.34 0.00 0.00 72.50 71.07 2w2w s THR 95 CO 0.03 -0.05 0.29 0.44 -0.54 0.00 0.00 174.62 174.79 2w2w h ASP 96 N 2.28 -0.03 -3.00 3.99 3.32 -1.93 -3.39 116.42 117.65 2w2w h ASP 96 Ca -0.39 -0.29 -0.61 0.00 0.02 0.00 0.00 57.03 55.76 2w2w h ASP 96 Cb 1.24 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 2w2w h ASP 96 CO 0.65 0.60 -0.32 -0.54 -1.72 0.00 0.00 179.24 177.92 2w2w s LYS 97 N -1.92 3.67 0.34 3.56 1.02 -1.26 -4.90 119.74 120.25 2w2w s LYS 97 Ca -0.06 0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.01 2w2w s LYS 97 Cb -0.01 -3.05 0.63 0.00 -0.52 0.00 0.00 37.83 34.88 2w2w s LYS 97 CO 0.23 0.61 1.96 -0.24 -0.92 0.00 0.00 175.35 176.98 2w2w h VAL 98 N 2.99 1.08 -0.94 3.17 3.04 -1.98 -2.38 116.25 121.24 2w2w h VAL 98 Ca -0.50 -0.31 0.05 0.00 -1.01 0.00 0.00 66.70 64.94 2w2w h VAL 98 Cb 1.20 0.11 -0.06 0.00 -2.01 0.00 0.00 31.29 30.52 2w2w h VAL 98 CO 0.66 0.16 0.60 1.05 -1.01 0.00 0.00 177.57 179.04 2w2w h GLU 99 N 0.90 1.10 0.09 4.17 9.09 -2.00 -2.65 114.58 125.27 2w2w h GLU 99 Ca 0.32 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.66 2w2w h GLU 99 Cb 0.13 -0.25 0.00 0.00 -1.65 0.00 0.00 28.75 26.98 2w2w h GLU 99 CO -0.10 0.72 -0.04 0.93 0.05 0.00 0.00 179.01 180.57 2w2w h GLU 100 N 1.13 -0.11 -0.98 1.06 5.08 -1.84 0.29 114.58 119.20 2w2w h GLU 100 Ca 0.39 0.01 0.33 0.00 -1.00 0.00 0.00 59.36 59.09 2w2w h GLU 100 Cb 0.10 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.20 2w2w h GLU 100 CO -0.15 0.03 0.33 1.25 -1.00 0.00 0.00 179.01 179.47 2w2w h LEU 101 N -0.24 0.03 -0.13 1.33 5.85 -1.38 0.53 115.31 121.30 2w2w h LEU 101 Ca -0.01 0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2w2w h LEU 101 Cb 0.20 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 2w2w h LEU 101 CO 0.02 -0.33 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.39 2w2w h PHE 102 N 0.07 0.40 -0.40 1.25 -1.00 -1.05 -0.73 116.94 115.48 2w2w h PHE 102 Ca 0.71 -0.12 0.08 0.00 2.81 0.00 0.00 57.97 61.45 2w2w h PHE 102 Cb 1.67 -0.08 -0.08 0.00 3.61 0.00 0.00 35.95 41.06 2w2w h PHE 102 CO -0.21 0.73 -0.15 0.93 -1.61 0.00 0.00 178.31 178.00 2w2w h GLU 103 N -0.05 -0.07 0.19 1.51 5.08 0.20 -0.83 114.58 120.61 2w2w h GLU 103 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2w2w h GLU 103 Cb 0.67 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2w2w h GLU 103 CO 0.03 -0.05 -0.09 -1.49 -1.00 0.00 0.00 179.01 176.41 2w2w h TRP 104 N -0.07 -0.24 0.01 4.33 4.06 -0.75 -3.08 115.95 120.20 2w2w h TRP 104 Ca 0.20 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.15 2w2w h TRP 104 Cb 0.37 0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.59 2w2w h TRP 104 CO -0.40 0.10 -0.22 0.35 -3.56 0.00 0.00 178.44 174.71 2w2w h PHE 105 N -0.61 -0.65 -0.90 0.49 3.57 -0.91 -2.07 116.94 115.86 2w2w h PHE 105 Ca -0.03 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.64 2w2w h PHE 105 Cb 0.45 0.28 -0.15 0.00 2.79 0.00 0.00 35.95 39.32 2w2w h PHE 105 CO 0.03 -0.24 -0.34 1.04 -2.23 0.00 0.00 178.31 176.58 2w2w n GLN 106 N -3.71 -0.20 -0.10 1.11 1.13 -0.34 -0.35 117.38 114.93 2w2w n GLN 106 Ca -0.03 1.39 -0.06 0.00 -1.94 0.00 0.00 57.00 56.36 2w2w n GLN 106 Cb 0.16 -2.06 0.01 0.00 0.11 0.00 0.00 30.24 28.46 2w2w n GLN 106 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2w2w h SER 107 N 0.00 -0.56 -0.59 1.08 0.02 -1.36 0.61 113.55 112.76 2w2w h SER 107 Ca 0.33 0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.36 2w2w h SER 107 Cb 0.55 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 2w2w h SER 107 CO -0.90 -0.20 0.17 0.40 -1.14 0.00 0.00 176.83 175.16 2w2w h ILE 108 N -0.10 1.24 0.01 3.27 2.04 -0.01 -2.73 117.51 121.23 2w2w h ILE 108 Ca 0.18 -0.87 -0.19 0.00 1.00 0.00 0.00 64.86 64.98 2w2w h ILE 108 Cb 0.38 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2w2w h ILE 108 CO -0.42 0.33 -0.89 -0.09 0.00 0.00 0.00 178.15 177.08 2w2w h ARG 109 N 0.93 0.04 -0.17 2.37 2.43 -0.83 -1.49 114.38 117.66 2w2w h ARG 109 Ca 0.20 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2w2w h ARG 109 Cb 0.31 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2w2w h ARG 109 CO -0.00 0.90 0.00 -1.91 -1.51 0.00 0.00 179.97 177.45 2w2w n GLU 110 N -3.52 0.37 0.00 0.20 2.13 0.16 -1.77 120.64 118.21 2w2w n GLU 110 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2w2w n GLU 110 Cb 0.84 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.46 2w2w n GLU 110 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2w2w n ILE 111 N -0.12 0.00 1.14 6.31 5.41 -0.88 -4.73 119.36 126.49 2w2w n ILE 111 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.89 2w2w n ILE 111 Cb 0.04 -0.09 0.62 0.00 -0.71 0.00 0.00 39.64 39.50 2w2w n ILE 111 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2w2w n THR 112 N -0.72 0.00 -0.13 1.39 -2.24 -0.61 -4.86 114.28 107.10 2w2w n THR 112 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2w2w n THR 112 Cb 0.05 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2w2w n THR 112 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29