#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 0.08 -0.17 3.17 1.01 -1.26 -4.16 120.40 119.07 1trv s VAL 2 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 1trv s VAL 2 Cb 0.00 -2.47 0.08 0.00 0.00 0.00 0.00 36.38 34.00 1trv s VAL 2 CO 0.00 0.00 0.33 -0.75 0.00 0.00 0.00 175.10 174.68 1trv s LYS 3 N -3.47 0.24 -0.13 2.72 2.47 -1.12 -5.00 119.74 115.46 1trv s LYS 3 Ca 0.38 0.83 -0.29 0.00 -1.56 0.00 0.00 55.97 55.33 1trv s LYS 3 Cb 0.02 0.04 -0.01 0.00 -1.46 0.00 0.00 37.83 36.42 1trv s LYS 3 CO 0.26 -0.31 1.00 -1.14 0.16 0.00 0.00 175.35 175.32 1trv s GLN 4 N 2.51 4.39 -0.25 4.03 0.74 -1.26 -1.30 119.66 128.51 1trv s GLN 4 Ca 0.01 1.36 -0.17 0.00 0.05 0.00 0.00 55.36 56.61 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 -0.36 0.49 0.42 -0.55 0.00 0.00 175.29 175.18 1trv s ILE 5 N 2.20 5.09 -0.12 -2.34 -1.09 -0.78 -4.93 121.20 119.23 1trv s ILE 5 Ca 0.47 0.84 0.17 0.00 -2.23 0.00 0.00 60.65 59.90 1trv s ILE 5 Cb -0.18 -3.81 -0.18 0.00 -1.58 0.00 0.00 42.46 36.71 1trv s ILE 5 CO 0.16 0.11 0.66 -0.62 -1.23 0.00 0.00 174.94 174.02 1trv n GLU 6 N 5.41 0.64 -0.01 2.79 1.02 -1.26 -4.49 120.64 124.73 1trv n GLU 6 Ca -0.05 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1trv n GLU 6 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -2.83 0.00 0.11 1.62 3.41 -1.26 -4.37 113.62 110.30 1trv n SER 7 Ca -0.14 -0.01 0.02 0.00 -0.26 0.00 0.00 58.87 58.48 1trv n SER 7 Cb 0.89 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 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 -0.10 4.33 3.64 -1.94 -3.18 116.57 119.32 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 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1trv h LYS 8 CO 0.00 0.45 0.04 1.15 -2.27 0.00 0.00 179.45 178.82 1trv h THR 9 N 0.00 0.99 -0.11 1.00 2.02 -2.00 -1.37 112.91 113.44 1trv h THR 9 Ca -0.04 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1trv h THR 9 Cb 1.44 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1trv h THR 9 CO 0.06 0.02 -0.37 0.00 0.37 0.00 0.00 175.52 175.60 1trv h ALA 10 N 1.06 1.18 0.08 6.16 0.00 -1.98 -2.19 119.26 123.57 1trv h ALA 10 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1trv h ALA 10 Cb 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1trv h ALA 10 CO -0.04 0.55 -0.04 0.35 0.00 0.00 0.00 179.25 180.07 1trv h PHE 11 N 0.19 -0.10 -0.14 0.00 3.57 -1.35 0.40 116.94 119.50 1trv h PHE 11 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.75 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1trv h PHE 11 CO 0.01 -0.06 0.05 1.96 -2.23 0.00 0.00 178.31 178.03 1trv h GLN 12 N -0.11 0.21 0.00 1.11 4.20 -1.17 -2.16 115.11 117.20 1trv h GLN 12 Ca -0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1trv h GLN 12 Cb 0.09 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1trv h GLN 12 CO 0.01 0.34 -0.01 0.93 -0.67 0.00 0.00 178.83 179.43 1trv h GLU 13 N 0.05 0.00 -0.07 1.46 4.39 -1.20 -0.99 114.58 118.21 1trv h GLU 13 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1trv h GLU 13 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1trv h GLU 13 CO -0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 179.01 177.84 1trv h ALA 14 N 1.99 0.10 0.00 3.43 0.00 0.39 -1.58 119.26 123.59 1trv h ALA 14 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 14 CO 0.00 -0.17 -0.14 -0.07 0.00 0.00 0.00 179.25 178.87 1trv h LEU 15 N -0.20 0.00 -0.08 0.00 3.38 -0.80 -1.12 115.31 116.48 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 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1trv h LEU 15 CO 0.01 0.14 -0.13 -0.78 0.09 0.00 0.00 178.44 177.77 1trv h ASP 16 N 0.00 0.25 1.14 -0.43 1.82 -0.82 -3.01 116.42 115.38 1trv h ASP 16 Ca -0.00 -0.54 -0.01 0.00 -0.39 0.00 0.00 57.03 56.09 1trv h ASP 16 Cb 0.37 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 1trv h ASP 16 CO 0.02 0.74 -0.03 0.00 -1.61 0.00 0.00 179.24 178.35 1trv h ALA 17 N 0.51 1.00 -0.27 -0.78 0.00 -0.96 -2.87 119.26 115.90 1trv h ALA 17 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1trv h ALA 17 Cb 0.69 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1trv h ALA 17 CO 0.03 0.04 -0.11 0.00 0.00 0.00 0.00 179.25 179.21 1trv h ALA 18 N 1.97 1.31 0.00 0.00 0.00 -1.07 -3.47 119.26 117.98 1trv h ALA 18 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 18 Cb 0.62 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1trv h ALA 18 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1trv n GLY 19 N -0.71 1.75 0.00 0.00 0.00 -1.09 -3.51 105.19 101.63 1trv n GLY 19 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 6.36 0.00 -4.50 1.61 9.92 -1.26 -4.58 116.55 124.10 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.79 52.97 1trv n ASP 20 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1trv s LYS 21 N 0.00 0.73 0.75 -1.24 1.02 -1.23 -4.38 119.74 115.39 1trv s LYS 21 Ca 0.00 0.06 -0.14 0.00 0.02 0.00 0.00 55.97 55.92 1trv s LYS 21 Cb 0.00 -1.81 0.05 0.00 -0.52 0.00 0.00 37.83 35.55 1trv s LYS 21 CO 0.00 -2.43 1.17 -1.17 -0.92 0.00 0.00 175.35 172.00 1trv s LEU 22 N -6.10 3.22 -0.28 3.17 0.20 -1.26 -4.31 118.68 113.31 1trv s LEU 22 Ca 0.67 2.21 -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 41.21 1trv s LEU 22 CO 0.53 -2.28 0.32 -0.69 -0.29 0.00 0.00 176.35 173.95 1trv s VAL 23 N -2.25 -0.46 0.56 1.68 1.01 -0.24 -3.08 120.40 117.62 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 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1trv s VAL 23 CO 0.48 -0.40 0.82 -0.69 0.00 0.00 0.00 175.10 175.31 1trv s VAL 24 N 2.41 3.12 0.02 2.92 1.01 -0.46 -0.41 120.40 129.01 1trv s VAL 24 Ca 0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1trv s VAL 24 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1trv s VAL 24 CO -0.30 -0.17 0.03 -0.69 0.00 0.00 0.00 175.10 173.97 1trv s VAL 25 N -2.85 0.12 -0.24 2.92 1.01 -0.66 -2.40 120.40 118.30 1trv s VAL 25 Ca 0.55 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1trv s VAL 25 Cb -0.10 -0.51 0.06 0.00 0.00 0.00 0.00 36.38 35.83 1trv s VAL 25 CO 0.41 -0.53 -0.07 -0.62 0.00 0.00 0.00 175.10 174.29 1trv s ASP 26 N -1.67 4.00 -0.53 3.32 -1.08 -1.00 -2.93 116.67 116.78 1trv s ASP 26 Ca -0.12 -1.23 -0.15 0.00 -0.52 0.00 0.00 52.55 50.53 1trv s ASP 26 Cb -0.07 -1.29 0.12 0.00 -1.46 0.00 0.00 42.92 40.23 1trv s ASP 26 CO -0.02 -0.22 0.48 -0.36 0.52 0.00 0.00 175.17 175.58 1trv s PHE 27 N 1.31 3.26 0.00 -5.34 0.40 -0.36 -1.36 117.98 115.89 1trv s PHE 27 Ca -0.07 -1.30 0.00 0.00 -0.60 0.00 0.00 56.93 54.97 1trv s PHE 27 Cb -0.19 -3.72 0.00 0.00 0.51 0.00 0.00 43.02 39.62 1trv s PHE 27 CO -0.06 -1.00 0.00 -1.13 0.70 0.00 0.00 175.22 173.73 1trv n SER 28 N 5.22 1.98 -3.77 1.36 3.41 -1.14 -1.76 113.62 118.91 1trv n SER 28 Ca -0.13 -0.80 -0.20 0.00 -0.26 0.00 0.00 58.87 57.47 1trv n SER 28 Cb 0.40 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.18 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1trv s ALA 29 N -2.00 0.45 -0.05 7.33 0.00 -1.17 -2.96 121.76 123.35 1trv s ALA 29 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.78 1trv s ALA 29 Cb 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 23.12 22.34 1trv s ALA 29 CO 0.00 -0.29 0.98 0.00 0.00 0.00 0.00 175.76 176.46 1trv h THR 30 N 6.31 1.56 -0.17 0.00 1.03 -1.97 -3.14 112.91 116.52 1trv h THR 30 Ca -0.28 -2.11 0.05 0.00 -0.01 0.00 0.00 66.41 64.06 1trv h THR 30 Cb 1.13 2.89 -0.01 0.00 -1.07 0.00 0.00 68.15 71.09 1trv h THR 30 CO 0.33 0.58 0.31 4.11 -0.01 0.00 0.00 175.52 180.84 1trv h TRP 31 N -0.49 0.00 -3.55 0.00 5.08 -1.96 -3.41 115.95 111.62 1trv h TRP 31 Ca -0.05 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.42 1trv h TRP 31 Cb 1.15 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.31 1trv h TRP 31 CO 0.19 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.39 1trv n GLY 33 N -1.15 -0.61 0.23 0.00 0.00 -1.26 -4.35 105.19 98.04 1trv n GLY 33 Ca 0.01 -0.07 -0.01 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 -0.31 0.36 -1.43 1.61 0.11 -1.96 -0.13 132.00 130.25 1trv h PRO 34 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1trv h PRO 34 Cb 0.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1trv h PRO 34 CO 0.00 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.03 1trv n LYS 36 N 0.84 0.00 0.00 0.00 4.81 -0.09 -3.02 118.16 120.69 1trv n LYS 36 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1trv n LYS 36 Cb 0.35 -0.49 0.52 0.00 0.02 0.00 0.00 35.03 35.42 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 -0.61 0.55 -0.24 1.64 2.81 -1.05 -1.96 117.12 118.26 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 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.00 0.64 0.09 2.02 5.41 -1.26 -4.32 119.36 120.95 1trv n ILE 38 Ca 0.13 -0.80 -0.02 0.00 1.00 0.00 0.00 62.75 63.06 1trv n ILE 38 Cb 0.06 0.79 -0.05 0.00 -0.71 0.00 0.00 39.64 39.72 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 4.29 0.00 0.00 0.38 2.10 -1.75 -3.16 116.57 118.43 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 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1trv h LYS 39 CO 0.00 0.73 0.00 -1.35 -2.00 0.00 0.00 179.45 176.83 1trv h PRO 40 N 0.00 0.00 0.00 0.07 0.11 -1.81 0.92 132.00 131.29 1trv h PRO 40 Ca -0.02 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1trv h PRO 40 Cb 1.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.70 1trv h PRO 40 CO 0.10 0.00 -0.42 0.74 -0.21 0.00 0.00 178.00 178.21 1trv h PHE 41 N 0.00 0.00 0.23 0.65 0.04 -1.84 -2.94 116.94 113.07 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1trv h PHE 41 Cb 0.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1trv h PHE 41 CO 0.00 0.39 -0.11 0.35 -0.60 0.00 0.00 178.31 178.34 1trv h PHE 42 N -1.00 -0.29 0.00 -0.55 3.57 -1.50 -2.31 116.94 114.86 1trv h PHE 42 Ca -0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1trv h PHE 42 Cb 0.55 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1trv h PHE 42 CO -0.03 -0.11 -0.02 1.25 -2.23 0.00 0.00 178.31 177.17 1trv h HIS 43 N -0.40 0.00 -0.19 0.41 2.76 -1.01 -0.90 115.15 115.81 1trv h HIS 43 Ca -0.03 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.04 1trv h HIS 43 Cb 0.31 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1trv h HIS 43 CO -0.03 0.02 -0.30 1.03 -1.30 0.00 0.00 177.93 177.34 1trv h SER 44 N 0.00 0.39 -0.12 3.26 0.87 -1.23 -2.18 113.55 114.54 1trv h SER 44 Ca -0.00 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1trv h SER 44 Cb 0.06 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1trv h SER 44 CO 0.00 0.68 0.10 -0.07 -0.53 0.00 0.00 176.83 177.01 1trv h LEU 45 N 0.33 0.00 -0.76 2.23 3.38 -0.97 -2.13 115.31 117.40 1trv h LEU 45 Ca 0.04 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.17 1trv h LEU 45 Cb 0.71 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 1trv h LEU 45 CO 0.05 0.00 0.26 0.28 0.09 0.00 0.00 178.44 179.12 1trv h SER 46 N 0.00 0.17 1.02 -0.43 0.02 -1.46 0.44 113.55 113.31 1trv h SER 46 Ca 0.06 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1trv h SER 46 Cb 0.25 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1trv h SER 46 CO -0.00 0.03 -0.99 -0.33 -1.14 0.00 0.00 176.83 174.41 1trv h GLU 47 N 0.36 0.00 0.00 3.45 4.39 -1.56 -3.33 114.58 117.90 1trv h GLU 47 Ca 0.43 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.99 1trv h GLU 47 Cb 0.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1trv h GLU 47 CO -0.46 0.03 -0.88 -0.22 -1.16 0.00 0.00 179.01 176.31 1trv h LYS 48 N 0.00 0.00 -2.41 2.33 3.64 -0.90 -3.39 116.57 115.84 1trv h LYS 48 Ca -0.01 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.77 1trv h LYS 48 Cb 1.05 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.47 1trv h LYS 48 CO 0.00 0.49 -0.80 0.66 -2.27 0.00 0.00 179.45 177.53 1trv n TYR 49 N -3.12 1.53 0.86 1.91 4.01 0.14 -4.91 117.16 117.58 1trv n TYR 49 Ca -0.02 -3.86 0.07 0.00 -0.16 0.00 0.00 57.90 53.93 1trv n TYR 49 Cb 0.80 -0.34 0.41 0.00 -0.31 0.00 0.00 39.34 39.91 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 1.71 0.00 -1.38 7.72 3.41 -1.25 -1.73 113.62 122.10 1trv n SER 50 Ca 0.25 -0.35 0.10 0.00 -0.26 0.00 0.00 58.87 58.61 1trv n SER 50 Cb 0.44 -0.05 0.32 0.00 -0.26 0.00 0.00 64.21 64.66 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 4.04 -4.14 4.04 5.15 -1.26 -4.91 115.26 117.13 1trv n ASN 51 Ca 0.10 -2.15 -0.18 0.00 -0.60 0.00 0.00 54.58 51.75 1trv n ASN 51 Cb 0.06 -0.50 -0.13 0.00 -0.53 0.00 0.00 39.78 38.68 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 -1.33 1.02 -0.31 3.44 1.01 -0.71 -4.73 120.40 118.80 1trv s VAL 52 Ca 0.48 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1trv s VAL 52 Cb 0.27 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1trv s VAL 52 CO 0.29 -0.13 0.22 -0.63 0.00 0.00 0.00 175.10 174.85 1trv s ILE 53 N -1.07 5.29 -0.13 2.22 -1.09 -1.18 -4.76 121.20 120.49 1trv s ILE 53 Ca -0.01 -0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1trv s ILE 53 Cb -0.09 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1trv s ILE 53 CO 0.02 0.12 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.45 1trv s PHE 54 N 1.75 3.03 0.39 3.97 0.08 -1.26 -1.35 117.98 124.60 1trv s PHE 54 Ca 0.07 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.00 1trv s PHE 54 Cb -0.17 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.34 1trv s PHE 54 CO 0.11 0.08 0.23 -0.51 -0.10 0.00 0.00 175.22 175.03 1trv s LEU 55 N 0.05 3.25 -0.23 -0.37 1.02 -1.01 -2.77 118.68 118.61 1trv s LEU 55 Ca 0.00 -0.89 -0.04 0.00 0.02 0.00 0.00 54.13 53.22 1trv s LEU 55 Cb -0.13 -1.72 0.09 0.00 0.02 0.00 0.00 46.19 44.45 1trv s LEU 55 CO 0.03 -0.51 0.15 -0.70 0.02 0.00 0.00 176.35 175.33 1trv s GLU 56 N -3.96 0.16 0.07 1.70 2.12 -0.42 -2.38 118.70 115.99 1trv s GLU 56 Ca 0.42 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.56 1trv s GLU 56 Cb -0.00 -1.36 -0.04 0.00 0.26 0.00 0.00 34.13 32.99 1trv s GLU 56 CO 0.24 -0.84 0.05 0.08 -0.54 0.00 0.00 175.26 174.25 1trv s VAL 57 N 2.17 4.38 -0.21 3.70 1.01 -0.47 -1.87 120.40 129.12 1trv s VAL 57 Ca 0.06 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 1trv s VAL 57 Cb -0.16 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1trv s VAL 57 CO -0.23 0.16 -0.09 -0.62 0.00 0.00 0.00 175.10 174.32 1trv s ASP 58 N -2.26 3.97 0.00 3.32 2.15 -1.26 -2.91 116.67 119.68 1trv s ASP 58 Ca 0.27 -0.51 0.08 0.00 0.43 0.00 0.00 52.55 52.82 1trv s ASP 58 Cb -0.12 -1.66 0.47 0.00 -0.30 0.00 0.00 42.92 41.31 1trv s ASP 58 CO 0.20 -0.03 1.01 1.33 -0.17 0.00 0.00 175.17 177.51 1trv n VAL 59 N 4.74 0.29 -0.09 1.11 0.24 -1.16 0.32 118.33 123.77 1trv n VAL 59 Ca -0.19 0.07 -0.18 0.00 -2.04 0.00 0.00 64.34 62.01 1trv n VAL 59 Cb 0.50 -0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.10 1.78 0.01 -1.34 9.92 -1.26 -3.79 116.55 120.77 1trv n ASP 60 Ca 0.05 0.12 -0.07 0.00 -0.53 0.00 0.00 54.79 54.36 1trv n ASP 60 Cb 0.04 -0.46 -0.12 0.00 -0.64 0.00 0.00 41.12 39.94 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 -0.45 0.00 -0.54 -2.24 1.82 -1.91 -3.35 116.42 109.75 1trv h ASP 61 Ca -0.45 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 55.80 1trv h ASP 61 Cb 1.49 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 41.22 1trv h ASP 61 CO -0.21 0.94 -0.51 0.00 -1.61 0.00 0.00 179.24 177.84 1trv n ALA 62 N -2.47 4.73 0.07 -0.78 0.00 0.15 -4.75 120.51 117.46 1trv n ALA 62 Ca -0.11 -3.57 0.04 0.00 0.00 0.00 0.00 53.44 49.80 1trv n ALA 62 Cb 0.99 -0.50 0.20 0.00 0.00 0.00 0.00 19.45 20.14 1trv n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1trv n GLN 63 N -0.88 0.05 -0.09 0.00 10.64 -1.19 -0.66 117.38 125.25 1trv n GLN 63 Ca 0.38 0.47 -0.14 0.00 -1.83 0.00 0.00 57.00 55.88 1trv n GLN 63 Cb 0.89 -1.82 -0.03 0.00 -0.86 0.00 0.00 30.24 28.41 1trv n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1trv h ASP 64 N 0.00 0.98 0.60 2.61 2.03 -1.89 -2.26 116.42 118.49 1trv h ASP 64 Ca 0.00 -0.51 -0.27 0.00 -0.73 0.00 0.00 57.03 55.52 1trv h ASP 64 Cb 0.33 -0.28 0.01 0.00 -0.83 0.00 0.00 39.33 38.55 1trv h ASP 64 CO 0.00 1.31 -1.23 0.58 -1.03 0.00 0.00 179.24 178.87 1trv h VAL 65 N 0.70 1.49 -0.39 4.15 2.07 -1.22 -3.24 116.25 119.81 1trv h VAL 65 Ca 0.03 -3.01 -0.03 0.00 0.82 0.00 0.00 66.70 64.51 1trv h VAL 65 Cb 1.11 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.77 1trv h VAL 65 CO 0.11 0.88 0.12 0.00 0.02 0.00 0.00 177.57 178.71 1trv h ALA 66 N 0.58 1.48 -0.00 1.67 0.00 -1.49 -1.47 119.26 120.03 1trv h ALA 66 Ca -0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1trv h ALA 66 Cb 1.95 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1trv h ALA 66 CO 0.20 0.39 -0.26 0.66 0.00 0.00 0.00 179.25 180.24 1trv h SER 67 N 0.56 0.00 0.84 0.00 4.64 -1.43 0.42 113.55 118.58 1trv h SER 67 Ca 0.13 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1trv h SER 67 Cb 0.17 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1trv h SER 67 CO -0.01 0.26 -0.45 -0.08 -0.87 0.00 0.00 176.83 175.69 1trv h GLU 68 N 0.00 -1.14 -0.00 4.77 4.81 -1.32 -2.21 114.58 119.49 1trv h GLU 68 Ca -0.00 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1trv h GLU 68 Cb 0.46 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1trv h GLU 68 CO 0.03 -0.76 -0.03 0.00 -0.73 0.00 0.00 179.01 177.52 1trv n ALA 69 N -2.65 2.65 -3.40 2.92 0.00 -1.16 -4.94 120.51 113.93 1trv n ALA 69 Ca -0.15 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1trv n ALA 69 Cb 0.48 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.95 -1.43 -2.79 0.00 1.02 0.14 -4.87 120.64 111.75 1trv n GLU 70 Ca 0.18 1.02 -0.43 0.00 -0.02 0.00 0.00 57.16 57.92 1trv n GLU 70 Cb 0.21 -4.51 -0.04 0.00 -0.02 0.00 0.00 31.44 27.08 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 -3.13 4.33 -0.22 2.62 1.01 -0.86 -4.85 120.40 119.30 1trv s VAL 71 Ca 0.14 0.44 0.14 0.00 0.00 0.00 0.00 61.98 62.71 1trv s VAL 71 Cb -0.04 -4.56 0.57 0.00 0.00 0.00 0.00 36.38 32.35 1trv s VAL 71 CO 0.81 -1.12 1.50 0.29 0.00 0.00 0.00 175.10 176.58 1trv n LYS 72 N 7.60 2.96 -3.20 2.72 5.02 -1.26 -4.83 118.16 127.16 1trv n LYS 72 Ca 0.03 -2.96 -0.00 0.00 -2.02 0.00 0.00 58.31 53.36 1trv n LYS 72 Cb 0.48 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.93 -2.05 0.13 7.82 0.00 -1.26 -5.15 121.76 118.31 1trv s ALA 73 Ca 0.45 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.13 1trv s ALA 73 Cb 0.37 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1trv s ALA 73 CO 0.08 -1.87 0.24 0.95 0.00 0.00 0.00 175.76 175.16 1trv s THR 74 N 2.60 5.17 0.74 0.00 -4.23 -1.26 -4.18 115.64 114.48 1trv s THR 74 Ca 0.11 -0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 1trv s THR 74 Cb -0.10 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.15 1trv s THR 74 CO -0.24 -0.04 1.08 -2.16 -0.54 0.00 0.00 174.62 172.72 1trv s PRO 75 N -3.02 2.60 0.02 3.99 0.04 -1.26 -4.93 135.00 132.44 1trv s PRO 75 Ca 0.34 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 1trv s PRO 75 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1trv s PRO 75 CO 0.27 -1.27 0.27 0.99 0.04 0.00 0.00 177.00 177.30 1trv s THR 76 N -3.18 0.08 0.00 1.26 2.01 -0.72 -3.22 115.64 111.88 1trv s THR 76 Ca 0.59 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1trv s THR 76 Cb -0.13 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1trv s THR 76 CO 0.54 -0.37 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.57 1trv s PHE 77 N -2.12 1.49 0.02 4.92 0.40 -0.93 -1.23 117.98 120.53 1trv s PHE 77 Ca -0.08 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 1trv s PHE 77 Cb -0.03 -0.94 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1trv s PHE 77 CO -0.01 0.00 -0.18 -0.65 0.70 0.00 0.00 175.22 175.09 1trv s GLN 78 N -0.62 1.28 -0.35 0.44 -0.21 -1.15 -2.05 119.66 116.99 1trv s GLN 78 Ca 0.06 -0.75 -0.08 0.00 0.02 0.00 0.00 55.36 54.61 1trv s GLN 78 Cb -0.07 -1.30 0.03 0.00 1.00 0.00 0.00 33.01 32.67 1trv s GLN 78 CO 0.00 0.34 0.14 -0.06 -2.12 0.00 0.00 175.29 173.59 1trv s PHE 79 N -0.63 3.25 0.13 0.91 0.40 0.11 -1.65 117.98 120.50 1trv s PHE 79 Ca 0.06 -1.24 0.06 0.00 -0.60 0.00 0.00 56.93 55.21 1trv s PHE 79 Cb -0.08 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1trv s PHE 79 CO 0.01 -0.69 -0.03 -0.06 0.70 0.00 0.00 175.22 175.15 1trv s PHE 80 N 1.46 2.87 -0.18 0.36 0.08 0.45 -1.90 117.98 121.12 1trv s PHE 80 Ca -0.00 -0.11 -0.11 0.00 0.12 0.00 0.00 56.93 56.83 1trv s PHE 80 Cb -0.19 -1.44 0.06 0.00 -0.57 0.00 0.00 43.02 40.87 1trv s PHE 80 CO 0.04 0.48 0.44 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.55 0.44 -0.26 0.44 2.20 -0.79 -1.08 119.74 118.14 1trv s LYS 81 Ca 0.25 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1trv s LYS 81 Cb -0.11 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1trv s LYS 81 CO 0.17 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.65 1trv n LYS 82 N 4.00 -1.87 -0.84 4.03 5.02 -1.26 0.75 118.16 128.00 1trv n LYS 82 Ca -0.21 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1trv n LYS 82 Cb 0.56 -4.25 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 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 0.47 1.08 2.86 0.72 0.00 -1.26 -5.05 105.19 104.00 1trv n GLY 83 Ca -0.02 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.05 0.91 0.06 1.61 1.11 0.23 -5.11 119.66 116.42 1trv s GLN 84 Ca 0.00 -0.07 -0.31 0.00 0.01 0.00 0.00 55.36 55.00 1trv s GLN 84 Cb 0.00 -1.04 -0.08 0.00 -1.01 0.00 0.00 33.01 30.88 1trv s GLN 84 CO 0.00 -0.19 1.58 0.21 0.01 0.00 0.00 175.29 176.90 1trv s LYS 85 N 1.42 4.22 0.00 2.91 2.20 -1.26 -1.89 119.74 127.34 1trv s LYS 85 Ca -0.03 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 1trv s LYS 85 Cb -0.13 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1trv s LYS 85 CO -0.03 -0.68 0.00 1.33 -0.36 0.00 0.00 175.35 175.61 1trv n VAL 86 N 4.64 0.00 -3.47 4.02 0.24 -0.80 -4.97 118.33 117.99 1trv n VAL 86 Ca 0.15 -0.11 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 1trv n VAL 86 Cb 0.41 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 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 -1.77 -0.55 -0.15 7.63 0.00 -1.18 -5.02 107.32 106.28 1trv s GLY 87 Ca 0.00 0.89 -0.32 0.00 0.00 0.00 0.00 44.72 45.29 1trv s GLY 87 CO 0.00 0.42 1.10 -1.83 0.00 0.00 0.00 173.10 172.79 1trv s GLU 88 N -2.92 0.47 -0.20 2.90 1.03 -1.26 0.08 118.70 118.80 1trv s GLU 88 Ca -0.00 -0.10 -0.29 0.00 0.03 0.00 0.00 54.97 54.61 1trv s GLU 88 Cb -0.01 0.22 0.14 0.00 -0.80 0.00 0.00 34.13 33.68 1trv s GLU 88 CO -0.07 -0.19 1.06 -0.59 -1.33 0.00 0.00 175.26 174.15 1trv s PHE 89 N -2.21 -0.33 -0.04 4.83 -0.12 -0.87 -5.00 117.98 114.23 1trv s PHE 89 Ca 0.06 0.63 0.05 0.00 -0.05 0.00 0.00 56.93 57.62 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 -0.28 -0.18 -1.54 -0.05 0.00 0.00 175.22 173.12 1trv s SER 90 N -0.84 3.70 0.00 1.98 1.04 -1.26 -2.19 113.70 116.13 1trv s SER 90 Ca 0.01 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1trv s SER 90 Cb -0.01 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1trv s SER 90 CO -0.01 0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1trv n GLY 91 N 2.42 4.07 1.58 7.32 0.00 -1.20 -4.96 105.19 114.42 1trv n GLY 91 Ca -0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.17 4.37 -3.31 4.61 0.00 -1.26 -4.66 120.51 119.09 1trv n ALA 92 Ca 0.00 -0.29 -0.44 0.00 0.00 0.00 0.00 53.44 52.71 1trv n ALA 92 Cb 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.25 1trv n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1trv n ASN 93 N 1.65 5.58 0.22 0.00 2.85 -1.26 -4.84 115.26 119.45 1trv n ASN 93 Ca 0.07 -3.10 0.13 0.00 -0.11 0.00 0.00 54.58 51.56 1trv n ASN 93 Cb 0.56 -1.34 0.75 0.00 1.24 0.00 0.00 39.78 40.99 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1trv h LYS 94 N 6.41 0.00 -0.11 1.20 2.10 -1.98 -0.47 116.57 123.72 1trv h LYS 94 Ca 0.18 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.74 1trv h LYS 94 Cb 0.83 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1trv h LYS 94 CO 1.06 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 179.08 1trv h GLU 95 N 0.00 0.22 -0.18 0.07 4.39 -1.99 -2.64 114.58 114.46 1trv h GLU 95 Ca 0.05 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1trv h GLU 95 Cb 0.24 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1trv h GLU 95 CO -0.00 0.55 -0.05 -0.22 -1.16 0.00 0.00 179.01 178.14 1trv h LYS 96 N 0.19 0.26 -0.93 2.33 3.64 -1.48 -2.19 116.57 118.39 1trv h LYS 96 Ca 0.02 -0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.58 1trv h LYS 96 Cb 0.72 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.43 1trv h LYS 96 CO 0.05 0.33 0.62 -0.07 -2.27 0.00 0.00 179.45 178.11 1trv h LEU 97 N 0.25 0.33 0.46 5.20 3.38 -1.50 0.28 115.31 123.71 1trv h LEU 97 Ca 0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1trv h LEU 97 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1trv h LEU 97 CO 0.01 0.12 -0.22 -0.08 0.09 0.00 0.00 178.44 178.36 1trv h GLU 98 N 0.32 -0.59 -0.10 1.13 4.81 -1.54 0.20 114.58 118.81 1trv h GLU 98 Ca 0.48 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.78 1trv h GLU 98 Cb 1.34 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 1trv h GLU 98 CO -0.16 -0.39 0.08 0.00 -0.73 0.00 0.00 179.01 177.80 1trv h ALA 99 N -1.67 1.98 -0.12 2.92 0.00 -1.53 -2.15 119.26 118.69 1trv h ALA 99 Ca -0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1trv h ALA 99 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1trv h ALA 99 CO 0.10 -0.13 -0.22 1.15 0.00 0.00 0.00 179.25 180.15 1trv h THR 100 N 0.00 1.38 -0.56 0.00 2.02 -0.23 -2.94 112.91 112.58 1trv h THR 100 Ca 0.05 -1.49 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1trv h THR 100 Cb 0.20 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1trv h THR 100 CO -0.00 0.44 0.37 0.40 0.37 0.00 0.00 175.52 177.09 1trv h ILE 101 N -0.06 1.08 0.00 3.11 2.04 0.05 0.44 117.51 124.16 1trv h ILE 101 Ca 0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1trv h ILE 101 Cb 0.81 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1trv h ILE 101 CO 0.05 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1trv n ASN 102 N -4.47 0.00 -0.03 1.72 5.15 -0.99 -2.24 115.26 114.40 1trv n ASN 102 Ca 0.06 -0.88 -0.07 0.00 -0.60 0.00 0.00 54.58 53.09 1trv n ASN 102 Cb 0.12 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.05 -0.48 1.20 4.57 0.06 -3.35 114.58 116.52 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1trv h GLU 103 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1trv h GLU 103 CO 0.00 0.36 0.00 1.28 -1.18 0.00 0.00 179.01 179.47 1trv n LEU 104 N -4.76 4.88 0.00 1.64 4.77 -1.23 -5.13 117.00 117.18 1trv n LEU 104 Ca -0.05 -2.83 0.01 0.00 -0.03 0.00 0.00 56.01 53.12 1trv n LEU 104 Cb 0.21 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.78 1trv n LEU 104 CO 0.16 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.78