#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.06 -0.17 2.03 1.01 -1.26 -4.20 120.40 117.87 1trv s VAL 2 Ca 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 59.92 1trv s VAL 2 Cb 0.00 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.98 1trv s VAL 2 CO 0.00 0.00 0.34 -0.75 0.00 0.00 0.00 175.10 174.69 1trv s LYS 3 N -3.52 0.24 -0.12 2.72 2.47 -1.15 -5.00 119.74 115.37 1trv s LYS 3 Ca 0.39 0.85 -0.29 0.00 -1.56 0.00 0.00 55.97 55.36 1trv s LYS 3 Cb 0.03 0.08 -0.01 0.00 -1.46 0.00 0.00 37.83 36.47 1trv s LYS 3 CO 0.25 -0.30 1.02 -1.14 0.16 0.00 0.00 175.35 175.34 1trv s GLN 4 N 2.51 4.40 -0.22 4.03 0.74 -1.26 -1.48 119.66 128.38 1trv s GLN 4 Ca 0.01 1.39 -0.18 0.00 0.05 0.00 0.00 55.36 56.63 1trv s GLN 4 Cb -0.12 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 1trv s GLN 4 CO -0.11 -0.37 0.51 0.42 -0.55 0.00 0.00 175.29 175.19 1trv s ILE 5 N 2.20 5.10 -0.09 -2.34 -1.09 -0.81 -4.93 121.20 119.23 1trv s ILE 5 Ca 0.48 0.91 0.15 0.00 -2.23 0.00 0.00 60.65 59.96 1trv s ILE 5 Cb -0.18 -3.83 -0.22 0.00 -1.58 0.00 0.00 42.46 36.65 1trv s ILE 5 CO 0.16 0.15 0.56 -0.62 -1.23 0.00 0.00 174.94 173.96 1trv n GLU 6 N 5.00 0.64 0.00 2.79 4.71 -1.26 -4.49 120.64 128.03 1trv n GLU 6 Ca -0.05 0.20 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1trv n GLU 6 Cb 0.50 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1trv n SER 7 N -2.92 0.00 0.10 1.62 3.41 -1.26 -4.23 113.62 110.33 1trv n SER 7 Ca -0.19 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1trv n SER 7 Cb 1.02 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 1trv n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1trv h LYS 8 N 0.00 0.00 -0.15 4.33 3.64 -1.94 -3.13 116.57 119.32 1trv h LYS 8 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1trv h LYS 8 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1trv h LYS 8 CO 0.00 0.57 0.05 1.15 -2.27 0.00 0.00 179.45 178.96 1trv h THR 9 N 0.00 0.97 -0.18 1.00 2.02 -2.00 -0.83 112.91 113.89 1trv h THR 9 Ca -0.04 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1trv h THR 9 Cb 1.53 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1trv h THR 9 CO 0.08 0.02 -0.34 0.00 0.37 0.00 0.00 175.52 175.65 1trv h ALA 10 N 1.09 1.09 -0.13 6.16 0.00 -1.97 -2.25 119.26 123.24 1trv h ALA 10 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1trv h ALA 10 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1trv h ALA 10 CO -0.06 0.58 0.07 0.35 0.00 0.00 0.00 179.25 180.18 1trv h PHE 11 N 0.32 0.13 -0.03 0.00 3.57 -1.30 0.34 116.94 119.97 1trv h PHE 11 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1trv h PHE 11 Cb 0.76 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1trv h PHE 11 CO 0.02 0.08 0.01 0.37 -2.23 0.00 0.00 178.31 176.56 1trv h GLN 12 N 0.15 0.04 0.00 1.11 4.15 -1.05 -2.25 115.11 117.27 1trv h GLN 12 Ca 0.05 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1trv h GLN 12 Cb -0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1trv h GLN 12 CO -0.03 0.22 -0.02 0.93 -1.93 0.00 0.00 178.83 178.00 1trv h GLU 13 N -0.15 0.00 -0.08 1.69 4.39 -1.20 -1.45 114.58 117.79 1trv h GLU 13 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1trv h GLU 13 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1trv h GLU 13 CO -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 179.01 177.85 1trv h ALA 14 N 1.98 0.10 0.00 3.43 0.00 0.22 -1.55 119.26 123.44 1trv h ALA 14 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1trv h ALA 14 CO 0.00 -0.17 -0.13 -0.07 0.00 0.00 0.00 179.25 178.88 1trv h LEU 15 N -0.19 0.00 -0.07 0.00 3.38 -0.86 -1.20 115.31 116.37 1trv h LEU 15 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1trv h LEU 15 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1trv h LEU 15 CO 0.01 0.13 -0.13 -0.78 0.09 0.00 0.00 178.44 177.76 1trv h ASP 16 N 0.00 0.24 1.19 -0.43 3.58 -0.89 -3.04 116.42 117.07 1trv h ASP 16 Ca -0.00 -0.56 -0.00 0.00 0.42 0.00 0.00 57.03 56.89 1trv h ASP 16 Cb 0.37 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1trv h ASP 16 CO 0.02 0.75 -0.01 0.00 -2.88 0.00 0.00 179.24 177.12 1trv h ALA 17 N 0.50 1.00 -0.11 -0.78 0.00 -0.97 -2.87 119.26 116.04 1trv h ALA 17 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1trv h ALA 17 Cb 0.71 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1trv h ALA 17 CO 0.03 0.01 -0.19 0.00 0.00 0.00 0.00 179.25 179.09 1trv h ALA 18 N 1.99 1.48 0.00 0.00 0.00 -1.11 -3.47 119.26 118.15 1trv h ALA 18 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 18 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1trv h ALA 18 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1trv n GLY 19 N -0.78 1.75 0.00 0.00 0.00 -1.09 -3.52 105.19 101.55 1trv n GLY 19 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 6.78 0.00 -4.49 1.61 8.00 -1.26 -4.62 116.55 122.57 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1trv n ASP 20 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 0.71 0.77 -1.24 1.02 -1.23 -4.43 119.74 115.34 1trv s LYS 21 Ca 0.00 0.06 -0.13 0.00 0.02 0.00 0.00 55.97 55.92 1trv s LYS 21 Cb 0.00 -1.81 0.06 0.00 -0.52 0.00 0.00 37.83 35.56 1trv s LYS 21 CO 0.00 -2.45 1.17 -1.17 -0.92 0.00 0.00 175.35 171.98 1trv s LEU 22 N -6.11 3.17 -0.29 3.17 0.20 -1.26 -4.39 118.68 113.17 1trv s LEU 22 Ca 0.67 2.20 0.00 0.00 0.69 0.00 0.00 54.13 57.70 1trv s LEU 22 Cb -0.11 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.22 1trv s LEU 22 CO 0.53 -2.37 0.33 -0.69 -0.29 0.00 0.00 176.35 173.87 1trv s VAL 23 N -2.31 -0.48 0.56 1.68 1.01 -0.17 -3.08 120.40 117.61 1trv s VAL 23 Ca 0.70 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1trv s VAL 23 Cb -0.25 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1trv s VAL 23 CO 0.49 -0.39 0.82 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.42 3.15 0.02 2.92 1.01 -0.46 -0.31 120.40 129.15 1trv s VAL 24 Ca 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1trv s VAL 24 Cb -0.14 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1trv s VAL 24 CO -0.31 -0.18 0.03 -0.69 0.00 0.00 0.00 175.10 173.94 1trv s VAL 25 N -2.85 0.11 -0.24 2.92 1.01 -0.61 -2.43 120.40 118.31 1trv s VAL 25 Ca 0.55 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1trv s VAL 25 Cb -0.10 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 35.87 1trv s VAL 25 CO 0.41 -0.52 -0.08 -0.62 0.00 0.00 0.00 175.10 174.29 1trv s ASP 26 N -1.62 3.95 -0.52 3.32 2.15 -1.00 -2.91 116.67 120.04 1trv s ASP 26 Ca -0.13 -1.19 -0.15 0.00 0.43 0.00 0.00 52.55 51.51 1trv s ASP 26 Cb -0.07 -1.30 0.12 0.00 -0.30 0.00 0.00 42.92 41.37 1trv s ASP 26 CO -0.01 -0.21 0.47 -0.36 -0.17 0.00 0.00 175.17 174.89 1trv s PHE 27 N 1.31 3.27 0.01 -5.34 0.40 -0.24 -1.30 117.98 116.09 1trv s PHE 27 Ca -0.06 -1.29 0.00 0.00 -0.60 0.00 0.00 56.93 54.98 1trv s PHE 27 Cb -0.19 -3.67 0.00 0.00 0.51 0.00 0.00 43.02 39.67 1trv s PHE 27 CO -0.06 -0.98 0.00 0.43 0.70 0.00 0.00 175.22 175.31 1trv n SER 28 N 5.21 1.88 -3.71 1.36 7.64 -1.14 -1.70 113.62 123.16 1trv n SER 28 Ca -0.13 -1.05 -0.24 0.00 1.01 0.00 0.00 58.87 58.45 1trv n SER 28 Cb 0.41 0.01 -0.17 0.00 -1.01 0.00 0.00 64.21 63.44 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.02 0.63 -0.03 -0.43 0.00 -1.06 -3.07 121.76 115.78 1trv s ALA 29 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 1trv s ALA 29 Cb -0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 23.12 22.04 1trv s ALA 29 CO 0.00 -0.80 1.13 0.00 0.00 0.00 0.00 175.76 176.08 1trv h THR 30 N 6.42 1.12 -0.28 0.00 1.03 -1.97 -2.84 112.91 116.39 1trv h THR 30 Ca -0.16 -1.09 0.08 0.00 -0.01 0.00 0.00 66.41 65.23 1trv h THR 30 Cb 1.13 1.79 -0.01 0.00 -1.07 0.00 0.00 68.15 69.98 1trv h THR 30 CO 0.27 0.25 0.57 4.11 -0.01 0.00 0.00 175.52 180.71 1trv h TRP 31 N -0.66 0.00 -3.55 0.00 5.08 -1.96 -3.40 115.95 111.46 1trv h TRP 31 Ca -0.01 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.52 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.69 1trv h TRP 31 CO 0.09 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.30 1trv n GLY 33 N -1.42 -0.60 0.19 0.00 0.00 -1.26 -4.31 105.19 97.78 1trv n GLY 33 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 1trv n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trv h PRO 34 N -0.21 0.19 -1.66 1.61 0.11 -1.96 -0.45 132.00 129.63 1trv h PRO 34 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1trv h PRO 34 Cb 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1trv h PRO 34 CO 0.00 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 177.92 1trv n LYS 36 N 1.16 0.00 0.00 0.00 4.81 -0.20 -2.57 118.16 121.36 1trv n LYS 36 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1trv n LYS 36 Cb 0.34 -0.49 0.49 0.00 0.02 0.00 0.00 35.03 35.40 1trv n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1trv n MET 37 N -1.02 0.58 -0.24 1.64 2.81 -1.10 -2.12 117.12 117.67 1trv n MET 37 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 1trv n MET 37 Cb 0.00 -1.45 0.25 0.00 -0.71 0.00 0.00 33.22 31.31 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1trv n ILE 38 N -0.95 0.62 0.09 2.02 5.41 -1.26 -4.32 119.36 120.98 1trv n ILE 38 Ca 0.12 -0.79 -0.02 0.00 1.00 0.00 0.00 62.75 63.06 1trv n ILE 38 Cb 0.06 0.82 -0.05 0.00 -0.71 0.00 0.00 39.64 39.76 1trv n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trv h LYS 39 N 4.35 0.00 0.00 0.38 2.10 -1.78 -3.17 116.57 118.44 1trv h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trv h LYS 39 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1trv h LYS 39 CO 0.00 0.69 0.00 -0.35 -2.00 0.00 0.00 179.45 177.79 1trv n PRO 40 N -3.24 0.18 -0.07 0.07 -0.05 -1.26 -0.96 135.00 129.66 1trv n PRO 40 Ca -0.01 0.45 -0.06 0.00 -0.05 0.00 0.00 63.50 63.84 1trv n PRO 40 Cb 0.84 -1.87 -0.03 0.00 -0.05 0.00 0.00 33.50 32.39 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1trv h PHE 41 N 0.00 0.00 0.39 0.54 0.04 -1.84 -2.99 116.94 113.09 1trv h PHE 41 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1trv h PHE 41 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1trv h PHE 41 CO 0.00 0.28 -0.19 0.35 -0.60 0.00 0.00 178.31 178.15 1trv h PHE 42 N -1.00 -0.49 0.00 -0.55 3.57 -1.54 -2.38 116.94 114.55 1trv h PHE 42 Ca -0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1trv h PHE 42 Cb 0.48 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1trv h PHE 42 CO -0.06 -0.25 -0.01 1.25 -2.23 0.00 0.00 178.31 177.01 1trv h HIS 43 N -0.61 0.00 -0.21 0.41 2.76 -1.26 -0.91 115.15 115.33 1trv h HIS 43 Ca -0.05 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.01 1trv h HIS 43 Cb 0.45 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1trv h HIS 43 CO -0.03 0.01 -0.30 1.03 -1.30 0.00 0.00 177.93 177.34 1trv h SER 44 N 0.00 0.44 -0.14 3.26 0.87 -1.27 -2.28 113.55 114.43 1trv h SER 44 Ca -0.00 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1trv h SER 44 Cb 0.03 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1trv h SER 44 CO 0.00 0.73 0.11 -0.07 -0.53 0.00 0.00 176.83 177.07 1trv h LEU 45 N 0.37 0.00 -0.90 2.23 3.38 -0.94 -2.16 115.31 117.29 1trv h LEU 45 Ca 0.05 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.24 1trv h LEU 45 Cb 0.72 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.35 1trv h LEU 45 CO 0.06 0.00 0.41 0.28 0.09 0.00 0.00 178.44 179.27 1trv h SER 46 N 0.00 0.36 0.84 -0.43 0.02 -1.48 0.33 113.55 113.20 1trv h SER 46 Ca 0.07 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1trv h SER 46 Cb 0.29 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1trv h SER 46 CO -0.00 0.02 -0.82 -0.33 -1.14 0.00 0.00 176.83 174.56 1trv h GLU 47 N 0.42 0.00 0.02 3.45 4.39 -1.57 -3.34 114.58 117.95 1trv h GLU 47 Ca 0.56 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 60.00 1trv h GLU 47 Cb 1.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1trv h GLU 47 CO -0.52 0.00 -1.33 -0.22 -1.16 0.00 0.00 179.01 175.78 1trv h LYS 48 N 0.00 0.04 -2.55 2.33 1.63 -0.63 -3.40 116.57 114.00 1trv h LYS 48 Ca 0.00 -0.07 -0.60 0.00 -0.85 0.00 0.00 60.65 59.13 1trv h LYS 48 Cb 0.83 0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 32.08 1trv h LYS 48 CO 0.00 0.85 -0.76 0.66 -3.45 0.00 0.00 179.45 176.75 1trv n TYR 49 N -3.26 1.77 0.81 1.91 4.01 0.89 -4.91 117.16 118.37 1trv n TYR 49 Ca -0.08 -3.92 0.07 0.00 -0.16 0.00 0.00 57.90 53.80 1trv n TYR 49 Cb 1.00 -0.35 0.39 0.00 -0.31 0.00 0.00 39.34 40.07 1trv n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1trv n SER 50 N 1.85 0.00 -1.30 7.72 3.41 -1.25 -1.61 113.62 122.44 1trv n SER 50 Ca 0.25 -0.34 0.11 0.00 -0.26 0.00 0.00 58.87 58.63 1trv n SER 50 Cb 0.42 -0.05 0.31 0.00 -0.26 0.00 0.00 64.21 64.63 1trv n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trv n ASN 51 N -1.05 3.77 -4.16 4.04 5.15 -1.26 -4.90 115.26 116.85 1trv n ASN 51 Ca 0.09 -2.04 -0.20 0.00 -0.60 0.00 0.00 54.58 51.84 1trv n ASN 51 Cb 0.06 -0.47 -0.13 0.00 -0.53 0.00 0.00 39.78 38.71 1trv n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trv s VAL 52 N -1.15 1.15 -0.30 3.44 1.01 -0.64 -4.72 120.40 119.19 1trv s VAL 52 Ca 0.46 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1trv s VAL 52 Cb 0.25 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1trv s VAL 52 CO 0.31 -0.09 0.23 -0.63 0.00 0.00 0.00 175.10 174.91 1trv s ILE 53 N -1.04 5.28 -0.14 2.22 -1.09 -1.18 -4.81 121.20 120.44 1trv s ILE 53 Ca 0.00 0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.46 1trv s ILE 53 Cb -0.09 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1trv s ILE 53 CO 0.02 0.14 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.46 1trv s PHE 54 N 1.79 3.02 0.39 3.97 0.08 -1.26 -1.35 117.98 124.62 1trv s PHE 54 Ca 0.08 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 56.96 1trv s PHE 54 Cb -0.16 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1trv s PHE 54 CO 0.11 0.03 0.24 -0.51 -0.10 0.00 0.00 175.22 174.98 1trv s LEU 55 N 0.17 3.25 -0.23 -0.37 1.02 -1.02 -2.94 118.68 118.56 1trv s LEU 55 Ca -0.02 -0.88 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1trv s LEU 55 Cb -0.14 -1.73 0.08 0.00 0.02 0.00 0.00 46.19 44.43 1trv s LEU 55 CO 0.03 -0.52 0.13 -0.70 0.02 0.00 0.00 176.35 175.32 1trv s GLU 56 N -3.97 0.14 -0.01 1.70 2.12 -0.55 -2.37 118.70 115.77 1trv s GLU 56 Ca 0.43 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1trv s GLU 56 Cb -0.00 -1.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 1trv s GLU 56 CO 0.24 -0.83 0.04 0.08 -0.54 0.00 0.00 175.26 174.26 1trv s VAL 57 N 2.16 4.46 -0.20 3.70 1.01 -0.42 -1.92 120.40 129.19 1trv s VAL 57 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1trv s VAL 57 Cb -0.16 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1trv s VAL 57 CO -0.22 0.37 -0.06 -0.62 0.00 0.00 0.00 175.10 174.57 1trv s ASP 58 N -1.63 4.25 0.00 3.32 2.15 -1.26 -2.88 116.67 120.62 1trv s ASP 58 Ca 0.21 -0.38 0.08 0.00 0.43 0.00 0.00 52.55 52.89 1trv s ASP 58 Cb -0.12 -1.72 0.43 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 58 CO 0.12 0.01 1.08 1.33 -0.17 0.00 0.00 175.17 177.54 1trv n VAL 59 N 4.56 0.61 -0.11 1.11 0.24 -1.17 0.34 118.33 123.90 1trv n VAL 59 Ca -0.18 0.15 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 1trv n VAL 59 Cb 0.51 -1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 31.77 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -1.21 1.89 0.01 -1.34 9.92 -1.26 -3.72 116.55 120.84 1trv n ASP 60 Ca 0.04 0.14 -0.10 0.00 -0.53 0.00 0.00 54.79 54.34 1trv n ASP 60 Cb 0.05 -0.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.84 1trv n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trv h ASP 61 N -0.53 0.09 -0.65 -2.24 1.82 -1.90 -3.35 116.42 109.67 1trv h ASP 61 Ca -0.55 -0.15 -0.44 0.00 -0.39 0.00 0.00 57.03 55.49 1trv h ASP 61 Cb 1.61 -0.03 -0.29 0.00 0.68 0.00 0.00 39.33 41.30 1trv h ASP 61 CO -0.26 1.13 -0.24 0.00 -1.61 0.00 0.00 179.24 178.27 1trv n ALA 62 N -2.55 5.04 0.28 -0.78 0.00 0.15 -4.74 120.51 117.92 1trv n ALA 62 Ca -0.14 -3.52 0.13 0.00 0.00 0.00 0.00 53.44 49.92 1trv n ALA 62 Cb 1.02 -0.75 0.71 0.00 0.00 0.00 0.00 19.45 20.44 1trv n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1trv h GLN 63 N 1.74 0.00 -0.22 0.00 -0.00 -1.63 0.18 115.11 115.17 1trv h GLN 63 Ca 0.36 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.85 1trv h GLN 63 Cb 1.41 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.88 1trv h GLN 63 CO 0.79 0.00 -0.53 0.38 -0.00 0.00 0.00 178.83 179.47 1trv h ASP 64 N 0.00 0.71 1.09 0.06 2.03 -1.90 -2.89 116.42 115.53 1trv h ASP 64 Ca 0.00 -0.37 -0.17 0.00 -0.73 0.00 0.00 57.03 55.75 1trv h ASP 64 Cb 0.58 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 1trv h ASP 64 CO 0.00 1.11 -0.83 0.58 -1.03 0.00 0.00 179.24 179.06 1trv h VAL 65 N 0.50 1.46 -0.85 4.15 2.07 -0.97 -3.24 116.25 119.38 1trv h VAL 65 Ca 0.01 -2.98 -0.03 0.00 0.82 0.00 0.00 66.70 64.52 1trv h VAL 65 Cb 1.09 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.49 1trv h VAL 65 CO 0.11 0.82 0.39 0.00 0.02 0.00 0.00 177.57 178.90 1trv h ALA 66 N 1.17 1.09 0.00 1.67 0.00 -1.36 -1.58 119.26 120.25 1trv h ALA 66 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 66 Cb 1.60 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1trv h ALA 66 CO 0.11 0.67 -0.22 1.03 0.00 0.00 0.00 179.25 180.83 1trv h SER 67 N 1.21 0.00 0.58 0.00 0.87 -1.53 0.24 113.55 114.91 1trv h SER 67 Ca 0.29 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1trv h SER 67 Cb 0.14 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1trv h SER 67 CO -0.03 0.22 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.13 1trv h GLU 68 N 0.00 -0.76 -0.00 2.24 4.81 -1.33 -2.24 114.58 117.30 1trv h GLU 68 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1trv h GLU 68 Cb 0.44 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1trv h GLU 68 CO 0.03 -0.48 -0.03 0.00 -0.73 0.00 0.00 179.01 177.79 1trv n ALA 69 N -2.46 2.65 -3.52 2.92 0.00 -1.13 -4.92 120.51 114.06 1trv n ALA 69 Ca -0.13 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 1trv n ALA 69 Cb 0.33 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1trv n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trv n GLU 70 N -0.93 -3.35 -2.81 0.00 1.02 0.76 -4.90 120.64 110.42 1trv n GLU 70 Ca 0.18 0.69 -0.43 0.00 -0.02 0.00 0.00 57.16 57.58 1trv n GLU 70 Cb 0.21 -5.21 -0.04 0.00 -0.02 0.00 0.00 31.44 26.38 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trv s VAL 71 N -3.49 4.42 -0.18 2.62 1.01 -0.76 -4.85 120.40 119.16 1trv s VAL 71 Ca 0.27 0.59 0.17 0.00 0.00 0.00 0.00 61.98 63.00 1trv s VAL 71 Cb -0.06 -4.49 0.52 0.00 0.00 0.00 0.00 36.38 32.35 1trv s VAL 71 CO 0.79 -0.96 1.41 0.29 0.00 0.00 0.00 175.10 176.63 1trv n LYS 72 N 7.34 2.78 -3.19 2.72 5.02 -1.26 -4.88 118.16 126.68 1trv n LYS 72 Ca 0.05 -2.84 0.01 0.00 -2.02 0.00 0.00 58.31 53.50 1trv n LYS 72 Cb 0.48 -1.83 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trv s ALA 73 N -2.85 -2.03 0.15 7.82 0.00 -1.26 -5.16 121.76 118.42 1trv s ALA 73 Ca 0.42 1.29 0.04 0.00 0.00 0.00 0.00 51.96 53.70 1trv s ALA 73 Cb 0.34 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1trv s ALA 73 CO 0.08 -1.53 0.18 0.95 0.00 0.00 0.00 175.76 175.44 1trv s THR 74 N 2.77 4.79 0.69 0.00 -4.23 -1.26 -4.20 115.64 114.21 1trv s THR 74 Ca 0.15 -0.90 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1trv s THR 74 Cb -0.13 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1trv s THR 74 CO -0.23 -0.07 1.06 -2.16 -0.54 0.00 0.00 174.62 172.68 1trv s PRO 75 N -3.06 2.98 0.04 3.99 0.04 -1.26 -4.95 135.00 132.77 1trv s PRO 75 Ca 0.32 0.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 1trv s PRO 75 Cb -0.11 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1trv s PRO 75 CO 0.25 -1.02 0.28 0.99 0.04 0.00 0.00 177.00 177.54 1trv s THR 76 N -3.15 0.08 0.01 1.26 2.01 -0.69 -3.16 115.64 112.00 1trv s THR 76 Ca 0.58 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.92 1trv s THR 76 Cb -0.13 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1trv s THR 76 CO 0.54 -0.39 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.58 1trv s PHE 77 N -2.41 1.27 0.02 4.92 0.40 -0.97 -1.08 117.98 120.14 1trv s PHE 77 Ca -0.06 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1trv s PHE 77 Cb -0.01 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 1trv s PHE 77 CO -0.03 0.01 -0.17 -0.65 0.70 0.00 0.00 175.22 175.08 1trv s GLN 78 N -0.66 1.26 -0.36 0.44 -0.21 -1.14 -2.17 119.66 116.81 1trv s GLN 78 Ca 0.04 -0.75 -0.08 0.00 0.02 0.00 0.00 55.36 54.58 1trv s GLN 78 Cb -0.06 -1.29 0.04 0.00 1.00 0.00 0.00 33.01 32.70 1trv s GLN 78 CO 0.00 0.34 0.16 -0.06 -2.12 0.00 0.00 175.29 173.61 1trv s PHE 79 N -0.64 3.27 0.10 0.91 0.40 0.11 -1.58 117.98 120.54 1trv s PHE 79 Ca 0.06 -1.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.15 1trv s PHE 79 Cb -0.08 -2.43 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 1trv s PHE 79 CO 0.01 -0.72 -0.03 -0.06 0.70 0.00 0.00 175.22 175.11 1trv s PHE 80 N 1.46 2.91 -0.18 0.36 0.08 0.57 -1.80 117.98 121.38 1trv s PHE 80 Ca 0.00 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 1trv s PHE 80 Cb -0.20 -1.50 0.06 0.00 -0.57 0.00 0.00 43.02 40.81 1trv s PHE 80 CO 0.04 0.46 0.45 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.29 0.46 -1.25 0.44 2.20 -0.71 -0.99 119.74 117.59 1trv s LYS 81 Ca 0.24 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1trv s LYS 81 Cb -0.11 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1trv s LYS 81 CO 0.17 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.66 1trv n LYS 82 N 3.86 -1.38 -1.54 4.03 5.02 -1.26 0.66 118.16 127.55 1trv n LYS 82 Ca -0.20 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1trv n LYS 82 Cb 0.56 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 1trv n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trv n GLY 83 N -0.14 0.50 2.85 0.72 0.00 -1.26 -5.05 105.19 102.81 1trv n GLY 83 Ca -0.12 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1trv n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trv s GLN 84 N -3.15 0.78 0.08 1.61 -0.21 0.21 -5.11 119.66 113.88 1trv s GLN 84 Ca 0.00 -0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.04 1trv s GLN 84 Cb 0.00 -0.93 -0.08 0.00 1.00 0.00 0.00 33.01 32.99 1trv s GLN 84 CO 0.00 -0.18 1.56 0.21 -2.12 0.00 0.00 175.29 174.76 1trv s LYS 85 N 1.37 4.23 0.00 2.91 2.20 -1.26 -1.74 119.74 127.45 1trv s LYS 85 Ca -0.04 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1trv s LYS 85 Cb -0.13 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1trv s LYS 85 CO -0.03 -0.65 0.00 1.33 -0.36 0.00 0.00 175.35 175.65 1trv n VAL 86 N 4.46 0.00 -3.53 4.02 0.24 -0.74 -4.96 118.33 117.82 1trv n VAL 86 Ca 0.14 -0.42 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 1trv n VAL 86 Cb 0.41 0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 33.69 1trv n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1trv s GLY 87 N -1.02 -0.39 -0.16 7.63 0.00 -1.18 -5.02 107.32 107.19 1trv s GLY 87 Ca 0.00 1.40 -0.32 0.00 0.00 0.00 0.00 44.72 45.80 1trv s GLY 87 CO 0.00 0.61 1.12 -1.83 0.00 0.00 0.00 173.10 173.00 1trv s GLU 88 N -2.33 0.44 -0.20 2.90 -1.05 -1.26 0.05 118.70 117.24 1trv s GLU 88 Ca 0.02 -0.09 -0.29 0.00 -0.15 0.00 0.00 54.97 54.46 1trv s GLU 88 Cb -0.01 0.20 0.14 0.00 -0.44 0.00 0.00 34.13 34.02 1trv s GLU 88 CO -0.04 -0.18 1.07 -0.59 0.95 0.00 0.00 175.26 176.47 1trv s PHE 89 N -2.17 -0.33 -0.08 4.83 -0.12 -0.92 -5.00 117.98 114.19 1trv s PHE 89 Ca 0.06 0.63 0.02 0.00 -0.05 0.00 0.00 56.93 57.60 1trv s PHE 89 Cb -0.01 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1trv s PHE 89 CO -0.05 -0.27 -0.14 -1.54 -0.05 0.00 0.00 175.22 173.17 1trv s SER 90 N -0.81 4.02 0.00 1.98 1.04 -1.26 -2.28 113.70 116.38 1trv s SER 90 Ca 0.01 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1trv s SER 90 Cb -0.02 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1trv s SER 90 CO -0.02 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1trv n GLY 91 N 2.70 3.96 1.72 7.32 0.00 -1.19 -4.98 105.19 114.72 1trv n GLY 91 Ca -0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 1trv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trv n ALA 92 N -0.96 4.99 -3.39 4.61 0.00 -1.26 -4.70 120.51 119.79 1trv n ALA 92 Ca 0.00 -0.79 -0.44 0.00 0.00 0.00 0.00 53.44 52.21 1trv n ALA 92 Cb 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 1trv n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trv s ASN 93 N 1.95 6.95 0.49 0.00 3.84 -1.26 -4.86 114.94 122.05 1trv s ASN 93 Ca 0.28 -3.41 0.15 0.00 0.21 0.00 0.00 52.86 50.09 1trv s ASN 93 Cb 0.14 -2.16 1.19 0.00 -0.55 0.00 0.00 41.25 39.87 1trv s ASN 93 CO -0.00 -0.33 2.10 0.07 -2.79 0.00 0.00 177.10 176.14 1trv h LYS 94 N 6.81 0.13 -0.08 0.43 2.10 -1.99 -0.70 116.57 123.27 1trv h LYS 94 Ca 0.15 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.70 1trv h LYS 94 Cb 0.90 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1trv h LYS 94 CO 0.93 0.09 -0.37 0.93 -2.00 0.00 0.00 179.45 179.03 1trv h GLU 95 N 0.14 0.17 -0.28 0.07 5.08 -1.99 -2.67 114.58 115.10 1trv h GLU 95 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 95 Cb 0.18 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1trv h GLU 95 CO -0.01 0.52 0.04 -0.22 -1.00 0.00 0.00 179.01 178.34 1trv h LYS 96 N 0.15 0.42 -0.87 2.33 3.64 -1.53 -2.04 116.57 118.66 1trv h LYS 96 Ca 0.02 -0.07 0.21 0.00 -1.27 0.00 0.00 60.65 59.54 1trv h LYS 96 Cb 0.73 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1trv h LYS 96 CO 0.05 0.42 0.59 -0.07 -2.27 0.00 0.00 179.45 178.17 1trv h LEU 97 N 0.41 0.31 0.48 5.20 3.38 -1.47 0.16 115.31 123.79 1trv h LEU 97 Ca 0.10 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1trv h LEU 97 Cb 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1trv h LEU 97 CO 0.00 0.12 -0.23 -0.08 0.09 0.00 0.00 178.44 178.34 1trv h GLU 98 N 0.31 -0.63 -0.14 1.13 4.22 -1.51 0.21 114.58 118.17 1trv h GLU 98 Ca 0.45 0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.97 1trv h GLU 98 Cb 1.25 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1trv h GLU 98 CO -0.13 -0.42 0.11 0.00 -2.18 0.00 0.00 179.01 176.39 1trv h ALA 99 N -1.64 2.03 -0.10 2.92 0.00 -1.53 -2.04 119.26 118.88 1trv h ALA 99 Ca -0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1trv h ALA 99 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1trv h ALA 99 CO 0.11 -0.18 -0.23 1.15 0.00 0.00 0.00 179.25 180.09 1trv h THR 100 N 0.00 1.39 -0.64 0.00 2.02 -0.44 -2.95 112.91 112.29 1trv h THR 100 Ca 0.07 -1.53 0.03 0.00 0.77 0.00 0.00 66.41 65.75 1trv h THR 100 Cb 0.29 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 1trv h THR 100 CO -0.00 0.44 0.42 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N -0.10 1.08 0.00 3.11 2.04 0.11 0.44 117.51 124.20 1trv h ILE 101 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1trv h ILE 101 Cb 0.83 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1trv h ILE 101 CO 0.05 0.14 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -0.97 -2.14 115.26 114.53 1trv n ASN 102 Ca 0.08 -0.82 -0.06 0.00 -0.60 0.00 0.00 54.58 53.17 1trv n ASN 102 Cb 0.14 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.33 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trv h GLU 103 N 0.00 -0.04 -0.49 1.20 4.22 0.06 -3.35 114.58 116.18 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1trv h GLU 103 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1trv h GLU 103 CO 0.00 0.38 0.00 1.28 -2.18 0.00 0.00 179.01 178.49 1trv n LEU 104 N -4.74 4.99 0.00 1.64 4.77 -1.23 -5.13 117.00 117.30 1trv n LEU 104 Ca -0.05 -2.87 0.02 0.00 -0.03 0.00 0.00 56.01 53.08 1trv n LEU 104 Cb 0.21 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1trv n LEU 104 CO 0.16 0.67 0.33 0.55 -1.33 0.00 0.00 177.39 177.77