#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 3.85 -0.30 1.97 2.00 -1.26 -5.05 119.66 120.87 2w2w s GLN 8 Ca 0.00 -0.25 -0.25 0.00 -2.00 0.00 0.00 55.36 52.86 2w2w s GLN 8 Cb 0.00 -3.25 0.20 0.00 0.80 0.00 0.00 33.01 30.75 2w2w s GLN 8 CO 0.00 0.44 1.49 -1.14 -0.50 0.00 0.00 175.29 175.58 2w2w s GLN 9 N -0.07 0.01 0.00 1.67 -0.44 -1.26 -1.70 119.66 117.86 2w2w s GLN 9 Ca 0.09 0.01 0.00 0.00 -2.50 0.00 0.00 55.36 52.95 2w2w s GLN 9 Cb -0.12 0.00 0.00 0.00 -1.64 0.00 0.00 33.01 31.26 2w2w s GLN 9 CO 0.00 -0.00 0.00 0.41 0.50 0.00 0.00 175.29 176.20 2w2w n GLY 10 N 1.51 -1.25 3.83 2.59 0.00 -0.84 -5.02 105.19 106.00 2w2w n GLY 10 Ca -0.10 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.50 4.19 0.06 1.61 -1.05 -1.26 -1.30 118.70 120.46 2w2w s GLU 11 Ca 0.00 0.99 -0.05 0.00 -0.15 0.00 0.00 54.97 55.76 2w2w s GLU 11 Cb 0.00 -2.34 -0.02 0.00 -0.44 0.00 0.00 34.13 31.33 2w2w s GLU 11 CO 0.00 0.07 0.08 -0.51 0.95 0.00 0.00 175.26 175.85 2w2w s LEU 12 N -2.97 1.95 0.12 1.83 1.43 -0.01 -4.91 118.68 116.12 2w2w s LEU 12 Ca 0.58 -0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 2w2w s LEU 12 Cb -0.11 0.59 -0.07 0.00 0.03 0.00 0.00 46.19 46.63 2w2w s LEU 12 CO 0.16 -0.62 0.54 -0.31 0.23 0.00 0.00 176.35 176.35 2w2w s TYR 13 N -3.54 3.66 0.05 0.29 1.51 0.74 -0.86 117.35 119.21 2w2w s TYR 13 Ca 0.03 1.10 0.07 0.00 -1.01 0.00 0.00 57.07 57.26 2w2w s TYR 13 Cb 0.04 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.48 2w2w s TYR 13 CO -0.09 0.48 -0.19 -1.64 -1.11 0.00 0.00 175.55 173.00 2w2w s MET 14 N -1.72 1.23 -0.34 -0.62 -1.94 0.40 -1.73 119.30 114.58 2w2w s MET 14 Ca 0.35 -0.94 -0.18 0.00 -1.71 0.00 0.00 55.69 53.21 2w2w s MET 14 Cb -0.16 -1.35 -0.01 0.00 2.01 0.00 0.00 34.83 35.33 2w2w s MET 14 CO 0.19 0.34 0.49 -0.46 -0.01 0.00 0.00 175.02 175.56 2w2w s TRP 15 N -0.89 3.19 -0.48 -0.03 -0.00 -0.67 -1.35 118.94 118.72 2w2w s TRP 15 Ca 0.06 0.17 -0.19 0.00 -0.00 0.00 0.00 56.10 56.14 2w2w s TRP 15 Cb -0.09 -2.87 0.04 0.00 -0.00 0.00 0.00 33.47 30.56 2w2w s TRP 15 CO 0.02 -0.50 0.60 0.34 -0.00 0.00 0.00 176.95 177.41 2w2w s ASP 16 N 1.74 6.25 0.00 5.86 2.15 -0.89 -4.75 116.67 127.02 2w2w s ASP 16 Ca 0.18 -0.72 0.09 0.00 0.43 0.00 0.00 52.55 52.53 2w2w s ASP 16 Cb -0.16 -2.29 0.51 0.00 -0.30 0.00 0.00 42.92 40.69 2w2w s ASP 16 CO 0.13 -0.82 1.08 -1.54 -0.17 0.00 0.00 175.17 173.85 2w2w n SER 17 N 6.12 0.00 0.00 -0.34 3.41 -1.26 -1.60 113.62 119.96 2w2w n SER 17 Ca -0.05 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2w2w n SER 17 Cb 0.46 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.13 0.00 0.93 -1.33 -0.00 -1.26 -4.36 119.36 112.22 2w2w n ILE 18 Ca 0.06 0.50 0.08 0.00 -0.00 0.00 0.00 62.75 63.38 2w2w n ILE 18 Cb 0.05 -1.49 0.45 0.00 -0.00 0.00 0.00 39.64 38.65 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 -2.33 0.00 -4.01 4.38 10.43 -1.23 -4.85 116.55 118.95 2w2w n ASP 19 Ca 0.00 -0.41 -0.28 0.00 2.57 0.00 0.00 54.79 56.67 2w2w n ASP 19 Cb 0.00 -0.04 -0.02 0.00 1.84 0.00 0.00 41.12 42.90 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 -1.04 -3.54 -4.03 -1.24 1.13 -0.62 -4.97 117.38 103.07 2w2w n GLN 20 Ca 0.11 0.42 -0.07 0.00 -1.94 0.00 0.00 57.00 55.52 2w2w n GLN 20 Cb 0.06 -4.79 -0.09 0.00 0.11 0.00 0.00 30.24 25.53 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 -6.63 0.67 0.01 -1.09 -0.14 -1.20 -5.02 119.74 106.34 2w2w s LYS 21 Ca 0.25 -1.15 -0.16 0.00 -1.36 0.00 0.00 55.97 53.55 2w2w s LYS 21 Cb -0.14 0.24 -0.06 0.00 -1.68 0.00 0.00 37.83 36.20 2w2w s LYS 21 CO 0.89 -0.15 0.46 -1.58 -0.76 0.00 0.00 175.35 174.21 2w2w s TRP 22 N -3.89 3.73 0.09 3.18 0.52 -1.26 -2.10 118.94 119.21 2w2w s TRP 22 Ca 0.06 1.06 0.07 0.00 0.02 0.00 0.00 56.10 57.32 2w2w s TRP 22 Cb 0.07 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.99 2w2w s TRP 22 CO -0.10 0.58 -0.19 0.95 0.02 0.00 0.00 176.95 178.21 2w2w s THR 23 N -0.92 1.54 -0.26 2.01 -4.23 -0.46 -4.93 115.64 108.41 2w2w s THR 23 Ca 0.25 -1.45 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 2w2w s THR 23 Cb -0.17 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 2w2w s THR 23 CO 0.15 -0.09 0.59 -0.13 -0.54 0.00 0.00 174.62 174.60 2w2w s ARG 24 N -1.80 4.10 0.03 3.99 0.52 -1.26 -0.46 118.95 124.07 2w2w s ARG 24 Ca 0.04 0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.77 2w2w s ARG 24 Cb -0.10 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 2w2w s ARG 24 CO 0.04 -0.38 -0.16 -1.01 0.02 0.00 0.00 175.30 173.80 2w2w s HIS 25 N 2.41 1.43 -0.16 -0.53 3.76 -0.04 -1.12 115.29 121.04 2w2w s HIS 25 Ca 0.24 -0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 54.58 2w2w s HIS 25 Cb -0.16 -0.86 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 2w2w s HIS 25 CO 0.09 0.05 0.69 0.12 -0.85 0.00 0.00 174.74 174.83 2w2w s PHE 26 N -0.77 3.44 0.19 1.40 5.36 -1.26 -0.83 117.98 125.51 2w2w s PHE 26 Ca 0.04 1.08 0.08 0.00 -0.96 0.00 0.00 56.93 57.17 2w2w s PHE 26 Cb -0.08 -2.84 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 2w2w s PHE 26 CO 0.01 -0.12 -0.16 0.00 -1.46 0.00 0.00 175.22 173.49 2w2w s ALA 28 N -2.58 -0.86 -0.21 0.00 0.00 -0.74 -2.00 121.76 115.38 2w2w s ALA 28 Ca 0.19 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2w2w s ALA 28 Cb -0.03 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2w2w s ALA 28 CO 0.07 -0.31 -0.15 0.42 0.00 0.00 0.00 175.76 175.78 2w2w s ILE 29 N -1.63 2.02 -0.02 0.00 1.01 -0.69 -0.75 121.20 121.14 2w2w s ILE 29 Ca -0.11 -1.17 0.04 0.00 0.00 0.00 0.00 60.65 59.41 2w2w s ILE 29 Cb -0.04 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2w2w s ILE 29 CO 0.03 0.30 -0.15 0.00 0.00 0.00 0.00 174.94 175.12 2w2w s ALA 30 N 1.25 1.28 0.00 9.38 0.00 -0.77 -4.28 121.76 128.61 2w2w s ALA 30 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2w2w s ALA 30 Cb -0.16 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.58 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 2.94 0.00 -0.97 0.00 10.43 -1.26 -0.61 116.55 127.08 2w2w n ASP 31 Ca -0.16 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.18 2w2w n ASP 31 Cb 0.54 0.00 0.19 0.00 1.84 0.00 0.00 41.12 43.69 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 11.94 4.09 -2.87 2.24 0.00 -1.26 -5.01 120.51 129.64 2w2w n ALA 32 Ca 0.00 -3.31 -0.31 0.00 0.00 0.00 0.00 53.44 49.82 2w2w n ALA 32 Cb 0.00 -0.51 -0.17 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.29 2.51 -0.24 0.00 0.00 0.23 -0.78 119.74 118.16 2w2w s LYS 33 Ca 0.42 -0.85 -0.05 0.00 0.00 0.00 0.00 55.97 55.50 2w2w s LYS 33 Cb 0.39 -2.08 -0.01 0.00 0.00 0.00 0.00 37.83 36.13 2w2w s LYS 33 CO -0.04 0.31 0.00 -1.17 0.00 0.00 0.00 175.35 174.46 2w2w s LEU 34 N -0.02 3.18 0.01 2.77 0.20 -0.16 -1.85 118.68 122.80 2w2w s LEU 34 Ca -0.07 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.34 2w2w s LEU 34 Cb -0.14 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 2w2w s LEU 34 CO 0.04 -0.05 0.03 -0.94 -0.29 0.00 0.00 176.35 175.14 2w2w s SER 35 N 1.51 5.33 -0.01 3.68 1.04 0.07 -0.89 113.70 124.42 2w2w s SER 35 Ca 0.05 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2w2w s SER 35 Cb -0.15 -1.43 0.01 0.00 0.10 0.00 0.00 66.02 64.55 2w2w s SER 35 CO -0.01 0.26 -0.01 0.72 0.98 0.00 0.00 173.24 175.18 2w2w s PHE 36 N -1.17 0.18 0.60 5.02 -0.12 -0.89 -1.79 117.98 119.82 2w2w s PHE 36 Ca 0.22 -0.00 -0.03 0.00 -0.05 0.00 0.00 56.93 57.06 2w2w s PHE 36 Cb -0.12 -0.20 0.13 0.00 -0.63 0.00 0.00 43.02 42.20 2w2w s PHE 36 CO 0.13 -0.05 0.82 -1.13 -0.05 0.00 0.00 175.22 174.95 2w2w n SER 37 N 3.47 0.77 -4.81 1.98 3.41 -0.85 -1.97 113.62 115.61 2w2w n SER 37 Ca -0.18 -1.73 -0.29 0.00 -0.26 0.00 0.00 58.87 56.40 2w2w n SER 37 Cb 0.56 -0.56 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 -4.24 4.26 -0.43 4.04 1.01 -0.92 -4.59 116.67 115.80 2w2w s ASP 38 Ca 0.52 1.12 -0.35 0.00 0.71 0.00 0.00 52.55 54.55 2w2w s ASP 38 Cb -0.02 -1.79 -0.13 0.00 1.01 0.00 0.00 42.92 41.99 2w2w s ASP 38 CO 0.35 -2.10 2.24 -0.67 0.21 0.00 0.00 175.17 175.21 2w2w n ASP 39 N -3.49 1.83 0.00 0.27 -0.08 -1.26 -4.63 116.55 109.19 2w2w n ASP 39 Ca 0.07 0.35 0.11 0.00 -1.51 0.00 0.00 54.79 53.81 2w2w n ASP 39 Cb 0.58 -1.22 0.64 0.00 2.34 0.00 0.00 41.12 43.46 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 7.21 0.05 -0.02 5.18 -5.35 -0.27 -1.65 119.36 124.51 2w2w n ILE 40 Ca 0.45 0.01 -0.08 0.00 -0.27 0.00 0.00 62.75 62.86 2w2w n ILE 40 Cb 0.21 -0.67 -0.14 0.00 -1.74 0.00 0.00 39.64 37.30 2w2w n ILE 40 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2w2w n GLU 41 N -1.04 0.63 0.01 6.28 1.02 -1.26 -4.24 120.64 122.04 2w2w n GLU 41 Ca 0.16 0.28 0.14 0.00 -0.02 0.00 0.00 57.16 57.71 2w2w n GLU 41 Cb 0.09 -1.78 0.54 0.00 -0.02 0.00 0.00 31.44 30.27 2w2w n GLU 41 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2w2w n GLN 42 N -3.02 0.04 -3.02 3.49 6.02 -0.66 -3.92 117.38 116.30 2w2w n GLN 42 Ca -0.18 0.03 -0.44 0.00 -0.01 0.00 0.00 57.00 56.40 2w2w n GLN 42 Cb 1.05 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 30.76 2w2w n GLN 42 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2w2w s THR 43 N -3.02 5.08 0.00 5.09 2.01 -1.22 -4.64 115.64 118.95 2w2w s THR 43 Ca 0.13 -2.29 0.00 0.00 0.31 0.00 0.00 61.69 59.84 2w2w s THR 43 Cb 0.18 -4.78 0.00 0.00 0.01 0.00 0.00 72.50 67.91 2w2w s THR 43 CO 0.56 -1.47 0.00 0.23 -0.69 0.00 0.00 174.62 173.25 2w2w n MET 44 N 5.52 0.00 -3.70 4.92 2.00 -1.25 -5.01 117.12 119.59 2w2w n MET 44 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.85 2w2w n MET 44 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.60 2w2w n MET 44 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2w2w s PRO 49 N 0.00 0.83 -0.30 0.03 0.02 -1.26 -5.09 135.00 129.24 2w2w s PRO 49 Ca 0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 61.00 60.72 2w2w s PRO 49 Cb 0.00 0.37 0.00 0.00 0.02 0.00 0.00 34.50 34.89 2w2w s PRO 49 CO 0.00 -0.27 0.03 1.47 -0.33 0.00 0.00 177.00 177.90 2w2w n LEU 50 N 0.77 -7.73 -3.97 -5.54 -0.00 -1.26 -5.09 117.00 94.18 2w2w n LEU 50 Ca -0.19 1.33 -0.09 0.00 -0.00 0.00 0.00 56.01 57.06 2w2w n LEU 50 Cb 0.58 -3.24 -0.09 0.00 -0.00 0.00 0.00 43.42 40.67 2w2w n LEU 50 CO 0.21 -3.03 -0.26 -0.83 -0.00 0.00 0.00 177.39 173.48 2w2w s GLY 51 N -1.59 0.26 0.27 1.47 0.00 -1.26 -5.06 107.32 101.40 2w2w s GLY 51 Ca 0.01 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 2w2w s GLY 51 CO 0.74 -0.88 0.78 -0.45 0.00 0.00 0.00 173.10 173.29 2w2w s SER 52 N -2.35 7.05 -0.03 1.64 0.15 -1.26 -4.94 113.70 113.96 2w2w s SER 52 Ca -0.02 1.48 0.13 0.00 0.70 0.00 0.00 55.95 58.25 2w2w s SER 52 Cb 0.01 -2.45 0.44 0.00 -1.71 0.00 0.00 66.02 62.32 2w2w s SER 52 CO -0.06 -0.05 1.34 -0.11 1.20 0.00 0.00 173.24 175.55 2w2w n LEU 53 N 0.43 2.85 -2.72 3.45 0.00 -1.26 -2.17 117.00 117.59 2w2w n LEU 53 Ca -0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 56.01 54.50 2w2w n LEU 53 Cb 0.51 -0.38 0.10 0.00 0.00 0.00 0.00 43.42 43.65 2w2w n LEU 53 CO 0.43 0.60 0.42 0.00 0.00 0.00 0.00 177.39 178.84 2w2w n ARG 55 N -0.01 0.04 -3.53 0.00 1.74 -0.83 -4.76 116.66 109.29 2w2w n ARG 55 Ca 0.02 0.28 -0.09 0.00 -0.77 0.00 0.00 57.85 57.29 2w2w n ARG 55 Cb 0.76 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.88 -0.39 -0.03 -0.13 0.00 -1.11 -5.04 107.32 97.74 2w2w s GLY 56 Ca 0.06 1.42 -0.01 0.00 0.00 0.00 0.00 44.72 46.19 2w2w s GLY 56 CO 0.18 0.62 0.06 -0.42 0.00 0.00 0.00 173.10 173.54 2w2w s ILE 57 N -2.29 -0.05 -0.10 0.90 1.01 -1.26 -2.09 121.20 117.32 2w2w s ILE 57 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2w2w s ILE 57 Cb -0.01 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.32 2w2w s ILE 57 CO -0.04 0.08 -0.10 -0.76 0.00 0.00 0.00 174.94 174.11 2w2w s LEU 58 N 1.01 2.93 -0.56 2.97 1.43 -0.07 -4.95 118.68 121.44 2w2w s LEU 58 Ca -0.08 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2w2w s LEU 58 Cb -0.11 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.53 2w2w s LEU 58 CO -0.04 0.26 0.78 -0.62 0.23 0.00 0.00 176.35 176.97 2w2w s ASP 59 N -0.23 6.23 0.55 2.29 -1.08 -1.26 -0.99 116.67 122.18 2w2w s ASP 59 Ca 0.02 -0.89 0.23 0.00 -0.52 0.00 0.00 52.55 51.39 2w2w s ASP 59 Cb -0.13 -2.35 1.48 0.00 -1.46 0.00 0.00 42.92 40.46 2w2w s ASP 59 CO 0.03 -1.13 2.13 -0.07 0.52 0.00 0.00 175.17 176.65 2w2w h LEU 60 N 10.40 0.00 -1.99 -1.34 3.38 -1.32 0.06 115.31 124.49 2w2w h LEU 60 Ca -0.28 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.86 2w2w h LEU 60 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2w2w h LEU 60 CO 1.06 0.00 0.43 0.78 0.09 0.00 0.00 178.44 180.80 2w2w h ASN 61 N 0.00 0.01 0.54 -0.43 2.35 -1.89 -0.14 115.58 116.01 2w2w h ASN 61 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2w2w h ASN 61 Cb 0.28 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2w2w h ASN 61 CO -0.00 0.01 -0.67 0.35 -1.65 0.00 0.00 177.43 175.47 2w2w n THR 62 N -4.36 0.11 -3.89 2.81 -2.24 0.00 -4.94 114.28 101.77 2w2w n THR 62 Ca 0.11 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 2w2w n THR 62 Cb 0.66 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 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 -3.08 2.46 0.09 4.78 1.51 -0.06 -4.61 117.35 118.44 2w2w s TYR 63 Ca 0.08 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 2w2w s TYR 63 Cb 0.16 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 2w2w s TYR 63 CO 0.74 -0.04 -0.09 -0.80 -1.11 0.00 0.00 175.55 174.25 2w2w s ASN 64 N -4.05 1.25 -0.22 2.29 0.02 -0.09 -4.94 114.94 109.21 2w2w s ASN 64 Ca 0.42 -0.82 -0.03 0.00 -1.02 0.00 0.00 52.86 51.41 2w2w s ASN 64 Cb 0.00 0.04 0.00 0.00 0.02 0.00 0.00 41.25 41.31 2w2w s ASN 64 CO 0.24 -0.31 -0.07 0.68 0.02 0.00 0.00 177.10 177.66 2w2w s VAL 65 N -2.59 3.09 0.10 1.60 -7.23 -1.26 -1.25 120.40 112.85 2w2w s VAL 65 Ca 0.04 -0.65 0.07 0.00 -1.81 0.00 0.00 61.98 59.64 2w2w s VAL 65 Cb -0.02 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2w2w s VAL 65 CO -0.01 0.41 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.40 2w2w s VAL 66 N 1.43 3.40 0.09 1.32 1.01 -0.43 -4.96 120.40 122.25 2w2w s VAL 66 Ca 0.05 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2w2w s VAL 66 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2w2w s VAL 66 CO -0.05 0.14 0.18 -0.75 0.00 0.00 0.00 175.10 174.62 2w2w s LYS 67 N -2.14 3.26 -0.46 2.72 2.20 -1.26 -0.53 119.74 123.53 2w2w s LYS 67 Ca 0.21 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.22 2w2w s LYS 67 Cb -0.11 -2.92 0.12 0.00 -1.51 0.00 0.00 37.83 33.41 2w2w s LYS 67 CO 0.13 0.57 0.27 0.00 -0.36 0.00 0.00 175.35 175.96 2w2w s ALA 68 N -1.54 3.27 0.14 3.13 0.00 -1.14 -4.95 121.76 120.67 2w2w s ALA 68 Ca 0.33 -2.66 -0.26 0.00 0.00 0.00 0.00 51.96 49.37 2w2w s ALA 68 Cb -0.12 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2w2w s ALA 68 CO 0.26 -1.87 1.61 -1.35 0.00 0.00 0.00 175.76 174.41 2w2w h PRO 69 N 7.95 -0.37 0.00 0.00 0.11 -1.95 -0.54 132.00 137.19 2w2w h PRO 69 Ca -0.12 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2w2w h PRO 69 Cb 1.04 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2w2w h PRO 69 CO 0.73 -0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 2w2w n GLN 70 N -5.41 0.08 0.00 1.05 0.00 -1.26 -5.00 117.38 106.84 2w2w n GLN 70 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 57.00 57.17 2w2w n GLN 70 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.07 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 0.08 -1.80 3.60 2.61 0.00 -0.21 -4.97 105.19 104.50 2w2w n GLY 71 Ca 0.05 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 0.80 -1.52 1.61 2.20 -1.02 -4.92 119.74 116.90 2w2w s LYS 72 Ca 0.00 0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 56.28 2w2w s LYS 72 Cb 0.00 0.39 0.03 0.00 -1.51 0.00 0.00 37.83 36.74 2w2w s LYS 72 CO 0.00 -0.15 0.31 0.09 -0.36 0.00 0.00 175.35 175.24 2w2w n ASN 73 N 2.08 -0.23 -0.31 1.43 3.02 -1.26 -0.98 115.26 119.00 2w2w n ASN 73 Ca -0.14 -1.12 -0.04 0.00 -0.03 0.00 0.00 54.58 53.24 2w2w n ASN 73 Cb 0.56 -2.39 -0.02 0.00 -0.61 0.00 0.00 39.78 37.32 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 -4.45 -0.94 -4.65 3.52 10.64 -1.26 -4.99 117.38 115.24 2w2w n GLN 74 Ca -0.25 0.49 -0.33 0.00 -1.83 0.00 0.00 57.00 55.08 2w2w n GLN 74 Cb 0.66 -4.34 -0.13 0.00 -0.86 0.00 0.00 30.24 25.56 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 -1.74 3.42 0.19 2.61 -0.14 -0.16 -5.04 119.74 118.88 2w2w s LYS 75 Ca 0.00 -0.62 -0.04 0.00 -1.36 0.00 0.00 55.97 53.95 2w2w s LYS 75 Cb 0.00 -2.71 0.10 0.00 -1.68 0.00 0.00 37.83 33.54 2w2w s LYS 75 CO 0.00 0.26 1.51 0.77 -0.76 0.00 0.00 175.35 177.13 2w2w h SER 76 N 6.58 0.65 -3.59 2.83 0.02 -1.88 -2.70 113.55 115.46 2w2w h SER 76 Ca -0.29 -0.34 -0.62 0.00 -0.84 0.00 0.00 61.79 59.70 2w2w h SER 76 Cb 1.20 -0.19 -0.39 0.00 0.14 0.00 0.00 62.40 63.17 2w2w h SER 76 CO 0.58 1.06 -0.77 -0.36 -1.14 0.00 0.00 176.83 176.20 2w2w s PHE 77 N -4.04 2.63 0.04 3.45 0.08 -1.26 -4.41 117.98 114.47 2w2w s PHE 77 Ca -0.08 -2.05 0.01 0.00 0.12 0.00 0.00 56.93 54.94 2w2w s PHE 77 Cb 0.11 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2w2w s PHE 77 CO 0.84 -0.83 -0.05 0.14 -0.10 0.00 0.00 175.22 175.22 2w2w s VAL 78 N 1.31 0.38 0.19 -0.44 -7.23 -1.26 -1.52 120.40 111.84 2w2w s VAL 78 Ca -0.00 -1.25 0.08 0.00 -1.81 0.00 0.00 61.98 59.00 2w2w s VAL 78 Cb -0.19 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.93 2w2w s VAL 78 CO -0.09 -0.57 -0.17 0.72 -0.31 0.00 0.00 175.10 174.68 2w2w s PHE 79 N -2.07 1.80 -0.05 2.82 -0.71 -0.68 -2.87 117.98 116.21 2w2w s PHE 79 Ca -0.06 -0.51 0.03 0.00 -1.04 0.00 0.00 56.93 55.35 2w2w s PHE 79 Cb -0.05 -0.86 0.01 0.00 -1.21 0.00 0.00 43.02 40.91 2w2w s PHE 79 CO -0.02 0.37 -0.13 0.42 -1.34 0.00 0.00 175.22 174.52 2w2w s ILE 80 N -2.51 1.16 -0.72 -4.49 1.01 0.31 -1.64 121.20 114.32 2w2w s ILE 80 Ca 0.20 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 2w2w s ILE 80 Cb -0.03 -1.04 0.14 0.00 0.01 0.00 0.00 42.46 41.53 2w2w s ILE 80 CO 0.07 0.35 0.80 -0.76 0.00 0.00 0.00 174.94 175.41 2w2w s LEU 81 N 0.45 5.65 -0.17 2.97 1.02 -0.23 -1.31 118.68 127.06 2w2w s LEU 81 Ca -0.11 -1.86 -0.09 0.00 0.02 0.00 0.00 54.13 52.09 2w2w s LEU 81 Cb -0.14 -2.30 -0.05 0.00 0.02 0.00 0.00 46.19 43.73 2w2w s LEU 81 CO 0.03 -0.98 0.14 -1.83 0.02 0.00 0.00 176.35 173.73 2w2w s GLU 82 N 2.09 3.95 0.00 1.70 -1.05 -0.38 -1.97 118.70 123.04 2w2w s GLU 82 Ca 0.17 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.81 2w2w s GLU 82 Cb -0.17 -3.35 0.00 0.00 -0.44 0.00 0.00 34.13 30.17 2w2w s GLU 82 CO -0.01 0.45 0.02 -2.30 0.95 0.00 0.00 175.26 174.38 2w2w n PRO 83 N 3.02 0.00 -0.97 -4.83 -0.02 -1.26 -0.91 135.00 130.02 2w2w n PRO 83 Ca -0.17 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 2w2w n PRO 83 Cb 0.53 -0.21 0.05 0.00 -0.02 0.00 0.00 33.50 33.85 2w2w n PRO 83 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2w2w n PRO 89 N -0.13 -0.04 -2.72 0.52 -0.02 -1.26 -4.81 135.00 126.54 2w2w n PRO 89 Ca 0.00 -0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 61.09 2w2w n PRO 89 Cb 0.00 -1.11 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 2w2w n PRO 89 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2w2w s PRO 90 N -2.21 4.62 -0.22 0.52 0.02 -1.26 -5.05 135.00 131.42 2w2w s PRO 90 Ca 0.42 1.44 -0.10 0.00 0.02 0.00 0.00 61.00 62.79 2w2w s PRO 90 Cb -0.17 -2.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 2w2w s PRO 90 CO 0.80 0.30 0.13 0.08 -0.33 0.00 0.00 177.00 177.98 2w2w s VAL 91 N -1.45 5.19 -0.26 3.83 1.01 -0.83 -4.99 120.40 122.90 2w2w s VAL 91 Ca 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 2w2w s VAL 91 Cb -0.22 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2w2w s VAL 91 CO 0.28 0.39 -0.04 -1.61 0.00 0.00 0.00 175.10 174.13 2w2w s GLU 92 N 0.79 2.89 0.20 2.72 2.02 -1.26 -1.07 118.70 124.99 2w2w s GLU 92 Ca 0.07 -0.95 0.06 0.00 0.02 0.00 0.00 54.97 54.17 2w2w s GLU 92 Cb -0.13 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 2w2w s GLU 92 CO 0.02 -0.40 0.12 -0.06 0.02 0.00 0.00 175.26 174.96 2w2w s PHE 93 N 1.36 3.06 0.01 1.61 0.40 -0.65 -1.66 117.98 122.10 2w2w s PHE 93 Ca 0.01 -0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.07 2w2w s PHE 93 Cb -0.17 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 41.96 2w2w s PHE 93 CO -0.03 0.53 0.43 0.00 0.70 0.00 0.00 175.22 176.84 2w2w s ALA 94 N -1.89 -1.08 0.31 5.36 0.00 -0.70 -1.68 121.76 122.08 2w2w s ALA 94 Ca 0.31 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.82 2w2w s ALA 94 Cb -0.09 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 2w2w s ALA 94 CO 0.23 -0.37 0.04 0.95 0.00 0.00 0.00 175.76 176.60 2w2w s THR 95 N -1.83 1.22 -0.10 0.00 -4.23 -0.57 -0.19 115.64 109.94 2w2w s THR 95 Ca -0.09 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.27 2w2w s THR 95 Cb -0.02 -2.71 -0.11 0.00 1.34 0.00 0.00 72.50 71.00 2w2w s THR 95 CO 0.02 -0.07 0.43 0.44 -0.54 0.00 0.00 174.62 174.90 2w2w h ASP 96 N 2.17 -0.06 -2.96 3.99 3.32 -1.93 -3.40 116.42 117.55 2w2w h ASP 96 Ca -0.40 -0.36 -0.61 0.00 0.02 0.00 0.00 57.03 55.67 2w2w h ASP 96 Cb 1.24 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 2w2w h ASP 96 CO 0.69 0.59 -0.43 -0.54 -1.72 0.00 0.00 179.24 177.83 2w2w s LYS 97 N -2.20 3.51 0.31 3.56 1.02 -1.26 -4.90 119.74 119.78 2w2w s LYS 97 Ca -0.08 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.63 2w2w s LYS 97 Cb -0.01 -3.01 0.51 0.00 -0.52 0.00 0.00 37.83 34.81 2w2w s LYS 97 CO 0.31 0.59 1.88 -0.24 -0.92 0.00 0.00 175.35 176.97 2w2w h VAL 98 N 2.32 1.20 -0.96 3.17 3.04 -1.98 -2.80 116.25 120.24 2w2w h VAL 98 Ca -0.47 -0.68 0.02 0.00 -1.01 0.00 0.00 66.70 64.56 2w2w h VAL 98 Cb 1.17 0.64 -0.05 0.00 -2.01 0.00 0.00 31.29 31.04 2w2w h VAL 98 CO 0.73 0.26 0.63 1.05 -1.01 0.00 0.00 177.57 179.23 2w2w h GLU 99 N 0.74 1.23 0.13 4.17 9.09 -2.00 -2.50 114.58 125.44 2w2w h GLU 99 Ca 0.17 -0.07 -0.00 0.00 0.05 0.00 0.00 59.36 59.50 2w2w h GLU 99 Cb 0.21 -0.28 -0.00 0.00 -1.65 0.00 0.00 28.75 27.03 2w2w h GLU 99 CO -0.01 0.82 -0.07 0.93 0.05 0.00 0.00 179.01 180.72 2w2w h GLU 100 N 1.27 -0.19 -1.24 1.06 5.08 -1.92 -0.91 114.58 117.74 2w2w h GLU 100 Ca 0.36 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 59.12 2w2w h GLU 100 Cb -0.11 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.07 2w2w h GLU 100 CO -0.09 -0.13 0.80 1.25 -1.00 0.00 0.00 179.01 179.84 2w2w h LEU 101 N -0.20 0.30 0.19 1.33 5.85 -1.38 0.18 115.31 121.58 2w2w h LEU 101 Ca -0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2w2w h LEU 101 Cb 0.16 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2w2w h LEU 101 CO 0.02 -0.11 -0.09 0.15 -0.34 0.00 0.00 178.44 178.07 2w2w h PHE 102 N 0.17 -0.23 -0.54 1.25 3.57 -0.88 -0.12 116.94 120.16 2w2w h PHE 102 Ca 0.75 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.40 2w2w h PHE 102 Cb 2.26 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 41.06 2w2w h PHE 102 CO -0.00 0.12 0.49 0.93 -2.23 0.00 0.00 178.31 177.62 2w2w h GLU 103 N -0.63 0.00 0.04 1.11 5.08 -0.34 -1.12 114.58 118.72 2w2w h GLU 103 Ca -0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 2w2w h GLU 103 Cb 0.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2w2w h GLU 103 CO 0.04 0.00 -1.78 0.91 -1.00 0.00 0.00 179.01 177.18 2w2w n TRP 104 N -3.91 0.84 -0.29 4.33 7.02 -0.78 -2.74 117.44 121.91 2w2w n TRP 104 Ca 0.10 0.28 0.07 0.00 -1.02 0.00 0.00 57.50 56.94 2w2w n TRP 104 Cb 0.70 -1.09 0.23 0.00 -2.42 0.00 0.00 31.31 28.73 2w2w n TRP 104 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 2w2w h PHE 105 N -0.62 0.71 0.63 -5.99 -0.00 -0.75 -0.89 116.94 110.03 2w2w h PHE 105 Ca -0.45 0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 57.53 2w2w h PHE 105 Cb 1.61 -0.19 0.01 0.00 -0.00 0.00 0.00 35.95 37.38 2w2w h PHE 105 CO 0.06 0.14 -0.30 1.96 -0.00 0.00 0.00 178.31 180.16 2w2w h GLN 106 N 0.56 -0.81 -0.52 1.11 1.08 -1.35 -2.39 115.11 112.79 2w2w h GLN 106 Ca 0.46 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.82 2w2w h GLN 106 Cb 0.69 0.19 -0.09 0.00 -0.05 0.00 0.00 27.48 28.22 2w2w h GLN 106 CO -0.39 -0.50 -0.00 0.77 -0.95 0.00 0.00 178.83 177.76 2w2w h SER 107 N -1.11 -0.22 -0.54 1.46 0.02 -1.26 0.88 113.55 112.78 2w2w h SER 107 Ca -0.09 0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 2w2w h SER 107 Cb 0.69 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 2w2w h SER 107 CO 0.14 -0.08 -0.04 0.40 -1.14 0.00 0.00 176.83 176.12 2w2w h ILE 108 N 0.12 1.27 -0.00 3.27 2.04 -1.23 -2.98 117.51 119.99 2w2w h ILE 108 Ca 0.26 -1.17 -0.16 0.00 1.00 0.00 0.00 64.86 64.79 2w2w h ILE 108 Cb 0.40 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2w2w h ILE 108 CO -0.43 0.42 -0.77 -0.09 0.00 0.00 0.00 178.15 177.27 2w2w h ARG 109 N 0.86 0.01 -0.23 2.37 2.43 -0.94 -1.61 114.38 117.27 2w2w h ARG 109 Ca 0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2w2w h ARG 109 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2w2w h ARG 109 CO 0.04 0.78 0.00 0.39 -1.51 0.00 0.00 179.97 179.66 2w2w n GLU 110 N -3.62 0.42 0.00 0.20 1.02 0.26 -1.22 120.64 117.70 2w2w n GLU 110 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2w2w n GLU 110 Cb 0.75 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2w2w n GLU 110 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2w2w n ILE 111 N -0.06 0.00 -0.11 -3.67 5.41 -0.85 -4.92 119.36 115.16 2w2w n ILE 111 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 2w2w n ILE 111 Cb 0.06 -0.19 -0.11 0.00 -0.71 0.00 0.00 39.64 38.68 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 -0.79 1.56 -0.36 1.39 -2.24 -0.66 -4.86 114.28 108.32 2w2w n THR 112 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2w2w n THR 112 Cb 0.10 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 2w2w n THR 112 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83