#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 0.15 -0.17 3.17 1.01 -1.26 -4.18 120.40 119.12 1trv s VAL 2 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.91 1trv s VAL 2 Cb 0.00 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.37 -0.75 0.00 0.00 0.00 175.10 174.72 1trv s LYS 3 N -3.73 0.29 -0.07 2.72 2.20 -1.20 -5.02 119.74 114.94 1trv s LYS 3 Ca 0.38 0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 56.56 1trv s LYS 3 Cb 0.04 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1trv s LYS 3 CO 0.20 -0.23 0.98 -1.14 -0.36 0.00 0.00 175.35 174.80 1trv s GLN 4 N 2.13 4.47 -0.16 4.03 0.74 -1.26 -1.29 119.66 128.32 1trv s GLN 4 Ca -0.04 1.37 -0.18 0.00 0.05 0.00 0.00 55.36 56.56 1trv s GLN 4 Cb -0.11 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1trv s GLN 4 CO -0.11 -0.20 0.50 0.42 -0.55 0.00 0.00 175.29 175.34 1trv s ILE 5 N 1.58 5.15 -0.09 -2.34 -1.09 -0.44 -4.94 121.20 119.02 1trv s ILE 5 Ca 0.49 0.95 0.14 0.00 -2.23 0.00 0.00 60.65 59.99 1trv s ILE 5 Cb -0.19 -3.83 -0.24 0.00 -1.58 0.00 0.00 42.46 36.62 1trv s ILE 5 CO 0.22 0.25 0.48 -0.62 -1.23 0.00 0.00 174.94 174.04 1trv n GLU 6 N 4.25 0.65 -0.07 2.79 1.02 -1.26 -4.45 120.64 123.57 1trv n GLU 6 Ca -0.06 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.51 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.98 0.00 0.09 1.62 3.41 -1.26 -4.12 113.62 110.38 1trv n SER 7 Ca -0.22 -0.07 -0.01 0.00 -0.26 0.00 0.00 58.87 58.32 1trv n SER 7 Cb 1.08 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.99 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 -0.00 4.33 3.64 -1.93 -3.10 116.57 119.50 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 0.56 -0.02 1.15 -2.27 0.00 0.00 179.45 178.87 1trv h THR 9 N 0.00 0.93 0.00 1.00 2.02 -2.01 -1.84 112.91 113.02 1trv h THR 9 Ca -0.05 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1trv h THR 9 Cb 1.54 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1trv h THR 9 CO 0.08 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.52 1trv h ALA 10 N 0.96 1.22 0.23 6.16 0.00 -1.98 -2.78 119.26 123.08 1trv h ALA 10 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1trv h ALA 10 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 10 CO -0.03 0.56 -0.11 0.35 0.00 0.00 0.00 179.25 180.02 1trv h PHE 11 N 0.00 -0.29 -0.16 0.00 3.57 -1.30 0.18 116.94 118.94 1trv h PHE 11 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1trv h PHE 11 Cb 0.81 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1trv h PHE 11 CO 0.00 -0.18 0.08 1.96 -2.23 0.00 0.00 178.31 177.94 1trv h GLN 12 N -0.31 0.24 0.00 1.11 4.20 -1.31 -1.80 115.11 117.23 1trv h GLN 12 Ca -0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1trv h GLN 12 Cb 0.24 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1trv h GLN 12 CO 0.05 0.27 -0.01 0.93 -0.67 0.00 0.00 178.83 179.40 1trv h GLU 13 N 0.14 0.00 -0.04 1.46 4.39 -1.33 -1.75 114.58 117.45 1trv h GLU 13 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1trv h GLU 13 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1trv h GLU 13 CO -0.01 0.01 -0.02 0.00 -1.16 0.00 0.00 179.01 177.83 1trv h ALA 14 N 1.99 0.06 0.00 3.43 0.00 0.22 -2.32 119.26 122.63 1trv h ALA 14 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 14 CO 0.00 -0.21 -0.05 -0.07 0.00 0.00 0.00 179.25 178.92 1trv h LEU 15 N -0.31 0.00 -0.10 0.00 3.38 -0.96 -2.00 115.31 115.32 1trv h LEU 15 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1trv h LEU 15 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1trv h LEU 15 CO 0.01 0.05 -0.17 -0.78 0.09 0.00 0.00 178.44 177.64 1trv h ASP 16 N 0.00 0.32 1.18 -0.43 1.82 -0.98 -3.01 116.42 115.33 1trv h ASP 16 Ca -0.00 -0.54 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1trv h ASP 16 Cb 0.30 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1trv h ASP 16 CO 0.01 0.80 0.00 0.00 -1.61 0.00 0.00 179.24 178.44 1trv h ALA 17 N 0.53 1.00 0.00 -0.78 0.00 -1.03 -2.84 119.26 116.14 1trv h ALA 17 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1trv h ALA 17 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1trv h ALA 17 CO 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 179.25 179.05 1trv h ALA 18 N 2.03 1.51 0.00 0.00 0.00 -1.23 -3.48 119.26 118.10 1trv h ALA 18 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 18 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1trv h ALA 18 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1trv n GLY 19 N -0.75 1.52 0.00 0.00 0.00 -1.07 -3.72 105.19 101.16 1trv n GLY 19 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 6.80 0.00 -3.90 1.61 9.92 -1.26 -4.61 116.55 125.12 1trv n ASP 20 Ca 0.00 -1.00 -0.30 0.00 -0.53 0.00 0.00 54.79 52.96 1trv n ASP 20 Cb 0.00 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 40.70 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 -0.33 0.74 -1.24 1.02 -1.24 -4.33 119.74 114.35 1trv s LYS 21 Ca 0.00 -0.33 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 1trv s LYS 21 Cb 0.00 -1.72 0.04 0.00 -0.52 0.00 0.00 37.83 35.63 1trv s LYS 21 CO 0.00 -3.08 1.15 -1.17 -0.92 0.00 0.00 175.35 171.34 1trv s LEU 22 N -6.39 3.24 -0.28 3.17 0.20 -1.26 -4.32 118.68 113.04 1trv s LEU 22 Ca 0.74 2.16 0.00 0.00 0.69 0.00 0.00 54.13 57.72 1trv s LEU 22 Cb -0.05 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.28 1trv s LEU 22 CO 0.54 -2.16 0.34 -0.69 -0.29 0.00 0.00 176.35 174.09 1trv s VAL 23 N -2.30 -0.50 0.55 1.68 1.01 -0.37 -3.13 120.40 117.35 1trv s VAL 23 Ca 0.69 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1trv s VAL 23 Cb -0.24 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1trv s VAL 23 CO 0.47 -0.37 0.81 -0.69 0.00 0.00 0.00 175.10 175.32 1trv s VAL 24 N 2.44 3.16 0.02 2.92 1.01 -0.39 -0.35 120.40 129.20 1trv s VAL 24 Ca 0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 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 -0.30 -0.18 0.03 -0.69 0.00 0.00 0.00 175.10 173.96 1trv s VAL 25 N -2.82 0.10 -0.24 2.92 1.01 -0.65 -2.33 120.40 118.39 1trv s VAL 25 Ca 0.55 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1trv s VAL 25 Cb -0.10 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 35.98 1trv s VAL 25 CO 0.40 -0.47 -0.11 -0.62 0.00 0.00 0.00 175.10 174.31 1trv s ASP 26 N -1.47 4.07 -0.50 3.32 -1.08 -1.00 -2.86 116.67 117.15 1trv s ASP 26 Ca -0.15 -1.22 -0.14 0.00 -0.52 0.00 0.00 52.55 50.52 1trv s ASP 26 Cb -0.09 -1.43 0.11 0.00 -1.46 0.00 0.00 42.92 40.05 1trv s ASP 26 CO -0.00 -0.18 0.42 -0.36 0.52 0.00 0.00 175.17 175.58 1trv s PHE 27 N 1.21 3.28 0.00 -5.34 0.40 0.12 -1.09 117.98 116.57 1trv s PHE 27 Ca -0.06 -1.30 0.00 0.00 -0.60 0.00 0.00 56.93 54.97 1trv s PHE 27 Cb -0.19 -3.50 0.00 0.00 0.51 0.00 0.00 43.02 39.85 1trv s PHE 27 CO -0.06 -0.94 0.00 -1.13 0.70 0.00 0.00 175.22 173.79 1trv n SER 28 N 5.15 1.88 -3.71 1.36 3.41 -1.17 -1.44 113.62 119.10 1trv n SER 28 Ca -0.12 -0.79 -0.25 0.00 -0.26 0.00 0.00 58.87 57.45 1trv n SER 28 Cb 0.41 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.68 -0.00 7.33 0.00 -1.26 -3.06 121.76 123.45 1trv s ALA 29 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 1trv s ALA 29 Cb 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 23.12 22.01 1trv s ALA 29 CO 0.00 -0.83 1.32 0.00 0.00 0.00 0.00 175.76 176.24 1trv h THR 30 N 6.42 1.19 -0.14 0.00 1.03 -1.95 -2.50 112.91 116.95 1trv h THR 30 Ca -0.17 -0.88 0.04 0.00 -0.01 0.00 0.00 66.41 65.39 1trv h THR 30 Cb 1.13 1.77 -0.01 0.00 -1.07 0.00 0.00 68.15 69.97 1trv h THR 30 CO 0.28 0.22 0.47 4.11 -0.01 0.00 0.00 175.52 180.59 1trv h TRP 31 N -0.48 0.00 -3.58 0.00 5.08 -2.01 -3.40 115.95 111.57 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 0.42 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.59 1trv h TRP 31 CO 0.06 0.00 0.07 0.00 -1.28 0.00 0.00 178.44 177.29 1trv n GLY 33 N -1.48 -0.61 0.20 0.00 0.00 -1.26 -3.98 105.19 98.05 1trv n GLY 33 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.28 0.15 0.00 1.61 0.11 -1.96 0.54 132.00 132.16 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 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1trv h PRO 34 CO 0.00 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 177.89 1trv n LYS 36 N -1.66 0.67 0.00 0.00 4.81 0.18 -4.05 118.16 118.11 1trv n LYS 36 Ca 0.01 0.09 0.09 0.00 -0.87 0.00 0.00 58.31 57.63 1trv n LYS 36 Cb 0.06 -1.60 0.49 0.00 0.02 0.00 0.00 35.03 34.00 1trv n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1trv n MET 37 N -2.87 0.40 -0.27 1.64 1.56 -0.35 -2.08 117.12 115.16 1trv n MET 37 Ca -0.29 0.07 0.12 0.00 -0.27 0.00 0.00 57.70 57.32 1trv n MET 37 Cb 1.12 -1.50 0.27 0.00 2.15 0.00 0.00 33.22 35.26 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1trv n ILE 38 N -1.16 0.71 0.07 1.12 5.41 -1.20 -4.32 119.36 120.00 1trv n ILE 38 Ca 0.11 -0.83 -0.04 0.00 1.00 0.00 0.00 62.75 62.98 1trv n ILE 38 Cb 0.11 0.70 -0.08 0.00 -0.71 0.00 0.00 39.64 39.65 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 4.22 0.00 0.00 0.38 2.10 -1.65 -3.19 116.57 118.43 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 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1trv h LYS 39 CO 0.00 0.82 0.00 -0.35 -2.00 0.00 0.00 179.45 177.92 1trv n PRO 40 N -3.29 0.14 -0.06 0.07 -0.05 -1.26 -0.80 135.00 129.76 1trv n PRO 40 Ca -0.01 0.42 -0.03 0.00 -0.05 0.00 0.00 63.50 63.83 1trv n PRO 40 Cb 0.89 -1.79 -0.01 0.00 -0.05 0.00 0.00 33.50 32.54 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 -0.37 0.54 -1.00 -1.84 -3.07 116.94 111.20 1trv h PHE 41 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1trv h PHE 41 Cb 0.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1trv h PHE 41 CO 0.00 0.00 0.22 0.35 -1.61 0.00 0.00 178.31 177.27 1trv h PHE 42 N -1.00 0.50 0.00 -0.55 3.57 -1.56 -2.36 116.94 115.54 1trv h PHE 42 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1trv h PHE 42 Cb 0.30 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1trv h PHE 42 CO -0.13 0.37 -0.13 1.25 -2.23 0.00 0.00 178.31 177.44 1trv h HIS 43 N 0.48 0.00 -0.16 0.41 2.76 -1.16 -2.05 115.15 115.43 1trv h HIS 43 Ca 0.13 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 1trv h HIS 43 Cb 0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1trv h HIS 43 CO -0.03 0.13 -0.34 0.66 -1.30 0.00 0.00 177.93 177.05 1trv h SER 44 N 0.00 0.33 -0.38 3.26 4.64 -1.32 -2.48 113.55 117.60 1trv h SER 44 Ca -0.00 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1trv h SER 44 Cb 0.25 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1trv h SER 44 CO 0.02 0.65 0.26 -0.07 -0.87 0.00 0.00 176.83 176.83 1trv h LEU 45 N 0.28 0.12 -0.89 5.97 3.38 -1.22 -1.60 115.31 121.35 1trv h LEU 45 Ca 0.03 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.20 1trv h LEU 45 Cb 0.74 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 1trv h LEU 45 CO 0.06 0.07 0.43 0.28 0.09 0.00 0.00 178.44 179.37 1trv h SER 46 N 0.13 0.43 0.86 -0.43 0.02 -1.52 0.28 113.55 113.32 1trv h SER 46 Ca 0.18 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1trv h SER 46 Cb 0.52 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1trv h SER 46 CO -0.02 0.09 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.59 1trv h GLU 47 N 0.50 0.00 0.01 3.45 5.08 -1.47 -3.34 114.58 118.80 1trv h GLU 47 Ca 0.53 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.64 1trv h GLU 47 Cb 0.92 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1trv h GLU 47 CO -0.46 0.00 -1.30 -0.22 -1.00 0.00 0.00 179.01 176.03 1trv h LYS 48 N 0.00 0.02 -2.62 2.33 1.63 -0.57 -3.40 116.57 113.96 1trv h LYS 48 Ca 0.00 -0.03 -0.60 0.00 -0.85 0.00 0.00 60.65 59.17 1trv h LYS 48 Cb 0.85 0.01 -0.40 0.00 -0.60 0.00 0.00 32.23 32.08 1trv h LYS 48 CO 0.00 0.82 -0.77 0.66 -3.45 0.00 0.00 179.45 176.71 1trv n TYR 49 N -3.24 1.51 0.73 1.91 4.01 0.75 -4.91 117.16 117.92 1trv n TYR 49 Ca -0.07 -3.87 0.06 0.00 -0.16 0.00 0.00 57.90 53.85 1trv n TYR 49 Cb 0.99 -0.28 0.36 0.00 -0.31 0.00 0.00 39.34 40.10 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 2.07 0.00 -1.29 7.72 3.41 -1.25 -1.52 113.62 122.76 1trv n SER 50 Ca 0.25 -0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.74 1trv n SER 50 Cb 0.42 -0.10 0.31 0.00 -0.26 0.00 0.00 64.21 64.58 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 -1.10 3.73 -4.18 4.04 5.15 -1.26 -4.89 115.26 116.75 1trv n ASN 51 Ca 0.08 -2.03 -0.22 0.00 -0.60 0.00 0.00 54.58 51.81 1trv n ASN 51 Cb 0.06 -0.47 -0.14 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 -1.14 1.33 -0.30 3.44 1.01 -0.58 -4.70 120.40 119.46 1trv s VAL 52 Ca 0.46 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1trv s VAL 52 Cb 0.24 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1trv s VAL 52 CO 0.31 0.11 0.25 -0.63 0.00 0.00 0.00 175.10 175.14 1trv s ILE 53 N -0.78 5.26 -0.15 2.22 -1.09 -1.18 -4.95 121.20 120.53 1trv s ILE 53 Ca 0.04 0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.53 1trv s ILE 53 Cb -0.08 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1trv s ILE 53 CO 0.01 0.12 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.44 1trv s PHE 54 N 1.83 3.02 0.42 3.97 0.08 -1.26 -1.26 117.98 124.78 1trv s PHE 54 Ca 0.09 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 56.93 1trv s PHE 54 Cb -0.16 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1trv s PHE 54 CO 0.11 -0.01 0.31 -0.51 -0.10 0.00 0.00 175.22 175.02 1trv s LEU 55 N 0.28 3.29 -0.22 -0.37 1.02 -0.99 -3.24 118.68 118.45 1trv s LEU 55 Ca -0.03 -0.87 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1trv s LEU 55 Cb -0.14 -1.83 0.09 0.00 0.02 0.00 0.00 46.19 44.33 1trv s LEU 55 CO 0.03 -0.63 0.16 -0.70 0.02 0.00 0.00 176.35 175.23 1trv s GLU 56 N -4.06 0.16 0.12 1.70 2.12 -0.41 -2.38 118.70 115.95 1trv s GLU 56 Ca 0.45 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.71 1trv s GLU 56 Cb -0.01 -1.36 -0.04 0.00 0.26 0.00 0.00 34.13 32.98 1trv s GLU 56 CO 0.26 -0.79 0.10 0.08 -0.54 0.00 0.00 175.26 174.37 1trv s VAL 57 N 2.21 4.50 -0.20 3.70 1.01 -0.25 -1.33 120.40 130.04 1trv s VAL 57 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1trv s VAL 57 Cb -0.16 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1trv s VAL 57 CO -0.19 0.03 -0.17 -0.62 0.00 0.00 0.00 175.10 174.15 1trv s ASP 58 N -2.69 3.45 0.00 3.32 2.15 -1.26 -3.02 116.67 118.62 1trv s ASP 58 Ca 0.30 -0.70 0.07 0.00 0.43 0.00 0.00 52.55 52.66 1trv s ASP 58 Cb -0.11 -1.53 0.40 0.00 -0.30 0.00 0.00 42.92 41.38 1trv s ASP 58 CO 0.22 -0.03 1.03 1.33 -0.17 0.00 0.00 175.17 177.56 1trv n VAL 59 N 4.63 0.56 -0.11 1.11 0.24 -1.17 0.27 118.33 123.85 1trv n VAL 59 Ca -0.20 0.14 -0.20 0.00 -2.04 0.00 0.00 64.34 62.04 1trv n VAL 59 Cb 0.49 -1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 31.75 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 -1.18 1.98 0.02 -1.34 9.92 -1.26 -3.81 116.55 120.88 1trv n ASP 60 Ca 0.04 0.08 -0.14 0.00 -0.53 0.00 0.00 54.79 54.24 1trv n ASP 60 Cb 0.05 -0.51 -0.14 0.00 -0.64 0.00 0.00 41.12 39.88 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 -0.41 0.23 -0.83 -2.24 3.58 -1.88 -3.36 116.42 111.52 1trv h ASP 61 Ca -0.54 -0.41 -0.58 0.00 0.42 0.00 0.00 57.03 55.92 1trv h ASP 61 Cb 1.63 -0.08 -0.37 0.00 1.72 0.00 0.00 39.33 42.24 1trv h ASP 61 CO -0.21 1.36 -0.16 0.00 -2.88 0.00 0.00 179.24 177.34 1trv n ALA 62 N -2.68 5.49 0.18 -0.78 0.00 0.14 -4.74 120.51 118.12 1trv n ALA 62 Ca -0.19 -3.65 0.09 0.00 0.00 0.00 0.00 53.44 49.69 1trv n ALA 62 Cb 1.04 -0.88 0.48 0.00 0.00 0.00 0.00 19.45 20.09 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 2.07 0.00 -0.23 0.00 -0.00 -1.65 0.11 115.11 115.41 1trv h GLN 63 Ca 0.45 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.94 1trv h GLN 63 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1trv h GLN 63 CO 1.06 0.00 -0.53 0.38 -0.00 0.00 0.00 178.83 179.74 1trv h ASP 64 N 0.00 0.72 0.93 0.06 2.03 -1.90 -2.82 116.42 115.45 1trv h ASP 64 Ca 0.00 -0.38 -0.21 0.00 -0.73 0.00 0.00 57.03 55.71 1trv h ASP 64 Cb 0.41 -0.21 -0.03 0.00 -0.83 0.00 0.00 39.33 38.68 1trv h ASP 64 CO 0.00 1.11 -1.00 0.58 -1.03 0.00 0.00 179.24 178.91 1trv h VAL 65 N 0.51 1.68 -0.86 4.15 2.07 -1.10 -3.24 116.25 119.45 1trv h VAL 65 Ca 0.02 -3.30 -0.03 0.00 0.82 0.00 0.00 66.70 64.21 1trv h VAL 65 Cb 1.09 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 33.62 1trv h VAL 65 CO 0.11 0.94 0.43 0.00 0.02 0.00 0.00 177.57 179.07 1trv h ALA 66 N 0.98 1.14 0.00 1.67 0.00 -1.42 -1.45 119.26 120.18 1trv h ALA 66 Ca -0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 66 Cb 1.74 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1trv h ALA 66 CO 0.13 0.66 -0.23 1.03 0.00 0.00 0.00 179.25 180.85 1trv h SER 67 N 1.22 0.00 0.85 0.00 0.87 -1.53 0.21 113.55 115.17 1trv h SER 67 Ca 0.30 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1trv h SER 67 Cb 0.09 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1trv h SER 67 CO -0.04 0.23 -0.42 -0.08 -0.53 0.00 0.00 176.83 175.99 1trv h GLU 68 N 0.00 -1.11 -0.00 2.24 4.22 -1.29 -2.20 114.58 116.43 1trv h GLU 68 Ca -0.00 0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1trv h GLU 68 Cb 0.45 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1trv h GLU 68 CO 0.03 -0.74 -0.02 0.00 -2.18 0.00 0.00 179.01 176.10 1trv n ALA 69 N -2.60 2.65 -3.43 2.92 0.00 -1.15 -4.93 120.51 113.97 1trv n ALA 69 Ca -0.15 -0.24 -0.17 0.00 0.00 0.00 0.00 53.44 52.88 1trv n ALA 69 Cb 0.46 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.87 -1.47 -2.82 0.00 1.02 0.69 -4.88 120.64 112.31 1trv n GLU 70 Ca 0.21 0.93 -0.43 0.00 -0.02 0.00 0.00 57.16 57.84 1trv n GLU 70 Cb 0.19 -4.60 -0.04 0.00 -0.02 0.00 0.00 31.44 26.96 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 -3.21 4.48 -0.57 2.62 1.01 -0.86 -4.86 120.40 119.02 1trv s VAL 71 Ca 0.23 0.75 0.14 0.00 0.00 0.00 0.00 61.98 63.10 1trv s VAL 71 Cb -0.06 -4.43 0.47 0.00 0.00 0.00 0.00 36.38 32.36 1trv s VAL 71 CO 0.81 -0.82 1.39 0.29 0.00 0.00 0.00 175.10 176.76 1trv n LYS 72 N 7.14 3.04 -3.20 2.72 5.02 -1.26 -4.87 118.16 126.75 1trv n LYS 72 Ca 0.06 -2.54 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 1trv n LYS 72 Cb 0.48 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.00 -1.97 0.14 7.82 0.00 -1.26 -5.16 121.76 119.33 1trv s ALA 73 Ca 0.36 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.69 1trv s ALA 73 Cb 0.25 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1trv s ALA 73 CO 0.13 -1.47 0.19 0.95 0.00 0.00 0.00 175.76 175.56 1trv s THR 74 N 2.76 4.86 0.76 0.00 -4.23 -1.26 -4.21 115.64 114.32 1trv s THR 74 Ca 0.16 -0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1trv s THR 74 Cb -0.14 -3.47 0.05 0.00 1.34 0.00 0.00 72.50 70.28 1trv s THR 74 CO -0.22 -0.06 1.09 -2.16 -0.54 0.00 0.00 174.62 172.74 1trv s PRO 75 N -3.02 2.40 -0.02 3.99 0.04 -1.26 -4.92 135.00 132.20 1trv s PRO 75 Ca 0.32 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.84 1trv s PRO 75 Cb -0.11 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1trv s PRO 75 CO 0.25 -1.39 0.28 0.99 0.04 0.00 0.00 177.00 177.18 1trv s THR 76 N -3.21 0.05 0.01 1.26 2.01 -0.52 -3.23 115.64 112.01 1trv s THR 76 Ca 0.60 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.21 1trv s THR 76 Cb -0.13 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1trv s THR 76 CO 0.53 -0.25 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.66 1trv s PHE 77 N -1.17 1.74 0.06 4.92 0.40 -0.98 -0.70 117.98 122.25 1trv s PHE 77 Ca -0.12 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 1trv s PHE 77 Cb -0.05 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 1trv s PHE 77 CO 0.03 0.02 -0.19 -0.65 0.70 0.00 0.00 175.22 175.14 1trv s GLN 78 N -0.79 1.20 -0.35 0.44 -0.21 -1.13 -2.14 119.66 116.68 1trv s GLN 78 Ca 0.07 -0.97 -0.06 0.00 0.02 0.00 0.00 55.36 54.42 1trv s GLN 78 Cb -0.08 -1.34 0.05 0.00 1.00 0.00 0.00 33.01 32.64 1trv s GLN 78 CO 0.00 0.33 0.11 -0.06 -2.12 0.00 0.00 175.29 173.55 1trv s PHE 79 N -0.93 3.29 0.13 0.91 0.40 0.11 -1.64 117.98 120.24 1trv s PHE 79 Ca 0.06 -1.56 0.05 0.00 -0.60 0.00 0.00 56.93 54.88 1trv s PHE 79 Cb -0.09 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1trv s PHE 79 CO 0.02 -0.77 0.03 -0.06 0.70 0.00 0.00 175.22 175.15 1trv s PHE 80 N 1.37 2.99 -0.17 0.36 0.08 0.52 -1.81 117.98 121.31 1trv s PHE 80 Ca -0.01 -0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 80 Cb -0.20 -1.49 0.06 0.00 -0.57 0.00 0.00 43.02 40.81 1trv s PHE 80 CO 0.02 0.50 0.43 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.65 0.43 -1.36 0.44 2.20 -0.59 -1.24 119.74 116.97 1trv s LYS 81 Ca 0.27 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1trv s LYS 81 Cb -0.11 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1trv s LYS 81 CO 0.20 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.68 1trv n LYS 82 N 4.02 -1.30 -1.63 4.03 5.02 -1.26 0.79 118.16 127.83 1trv n LYS 82 Ca -0.21 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1trv n LYS 82 Cb 0.56 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 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 -0.23 0.49 2.87 0.72 0.00 -1.26 -5.05 105.19 102.73 1trv n GLY 83 Ca -0.13 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.32 0.89 0.04 1.61 -0.21 0.24 -5.11 119.66 113.80 1trv s GLN 84 Ca 0.00 -0.08 -0.30 0.00 0.02 0.00 0.00 55.36 54.99 1trv s GLN 84 Cb 0.00 -0.98 -0.07 0.00 1.00 0.00 0.00 33.01 32.96 1trv s GLN 84 CO 0.00 -0.15 1.62 0.21 -2.12 0.00 0.00 175.29 174.85 1trv s LYS 85 N 1.25 4.21 -0.00 2.91 2.20 -1.26 -1.54 119.74 127.50 1trv s LYS 85 Ca -0.06 2.26 0.03 0.00 -0.36 0.00 0.00 55.97 57.84 1trv s LYS 85 Cb -0.14 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1trv s LYS 85 CO -0.02 -0.73 0.09 1.33 -0.36 0.00 0.00 175.35 175.67 1trv n VAL 86 N 4.82 0.00 -3.55 4.02 0.24 -0.75 -4.96 118.33 118.15 1trv n VAL 86 Ca 0.16 -0.23 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1trv n VAL 86 Cb 0.41 0.69 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 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 -1.86 -0.37 -0.12 7.63 0.00 -1.17 -5.02 107.32 106.41 1trv s GLY 87 Ca -0.00 1.37 -0.33 0.00 0.00 0.00 0.00 44.72 45.76 1trv s GLY 87 CO 0.12 0.47 1.14 -1.83 0.00 0.00 0.00 173.10 173.00 1trv s GLU 88 N -2.66 0.46 -0.15 2.90 -1.05 -1.26 0.09 118.70 117.03 1trv s GLU 88 Ca 0.07 -0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.40 1trv s GLU 88 Cb -0.01 0.20 0.13 0.00 -0.44 0.00 0.00 34.13 34.01 1trv s GLU 88 CO -0.06 -0.20 1.04 -0.59 0.95 0.00 0.00 175.26 176.39 1trv s PHE 89 N -2.60 -0.30 -0.01 4.83 -0.12 -0.91 -4.99 117.98 113.87 1trv s PHE 89 Ca 0.09 0.43 0.06 0.00 -0.05 0.00 0.00 56.93 57.46 1trv s PHE 89 Cb -0.00 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.84 1trv s PHE 89 CO -0.05 -0.33 -0.21 -1.54 -0.05 0.00 0.00 175.22 173.04 1trv s SER 90 N -1.49 3.53 0.00 1.98 1.04 -1.26 -2.33 113.70 115.17 1trv s SER 90 Ca 0.02 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1trv s SER 90 Cb -0.01 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1trv s SER 90 CO -0.02 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1trv n GLY 91 N 2.19 4.00 1.54 7.32 0.00 -1.20 -4.97 105.19 114.07 1trv n GLY 91 Ca -0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.99 4.15 -3.37 4.61 0.00 -1.26 -4.67 120.51 118.97 1trv n ALA 92 Ca 0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 1trv n ALA 92 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 7.14 0.49 0.00 3.04 -1.26 -4.86 114.94 121.44 1trv s ASN 93 Ca 0.04 -3.52 0.15 0.00 0.04 0.00 0.00 52.86 49.57 1trv s ASN 93 Cb 0.02 -2.18 1.19 0.00 -1.54 0.00 0.00 41.25 38.74 1trv s ASN 93 CO -0.00 -0.30 2.10 0.07 -3.04 0.00 0.00 177.10 175.93 1trv h LYS 94 N 6.71 0.13 -0.15 0.43 2.10 -1.99 -1.17 116.57 122.64 1trv h LYS 94 Ca 0.17 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.70 1trv h LYS 94 Cb 0.88 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1trv h LYS 94 CO 0.97 0.09 -0.38 0.93 -2.00 0.00 0.00 179.45 179.06 1trv h GLU 95 N 0.14 0.32 -0.04 0.07 4.39 -1.99 -2.73 114.58 114.74 1trv h GLU 95 Ca 0.08 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1trv h GLU 95 Cb 0.17 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1trv h GLU 95 CO -0.01 0.66 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.17 1trv h LYS 96 N 0.27 0.06 -0.95 2.33 3.64 -1.62 -2.07 116.57 118.24 1trv h LYS 96 Ca 0.03 -0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.65 1trv h LYS 96 Cb 0.80 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.55 1trv h LYS 96 CO 0.06 0.17 0.65 -0.07 -2.27 0.00 0.00 179.45 177.99 1trv h LEU 97 N 0.06 0.23 0.53 5.20 3.38 -1.48 0.38 115.31 123.62 1trv h LEU 97 Ca 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1trv h LEU 97 Cb 0.22 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1trv h LEU 97 CO 0.01 0.07 -0.26 -0.08 0.09 0.00 0.00 178.44 178.28 1trv h GLU 98 N 0.22 -0.69 -0.27 1.13 4.81 -1.54 0.11 114.58 118.35 1trv h GLU 98 Ca 0.49 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.84 1trv h GLU 98 Cb 1.52 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1trv h GLU 98 CO -0.12 -0.46 0.21 0.00 -0.73 0.00 0.00 179.01 177.91 1trv h ALA 99 N -1.60 2.18 -0.16 2.92 0.00 -1.52 -1.53 119.26 119.55 1trv h ALA 99 Ca -0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1trv h ALA 99 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1trv h ALA 99 CO 0.12 -0.35 -0.38 1.15 0.00 0.00 0.00 179.25 179.79 1trv h THR 100 N 0.00 1.35 -0.55 0.00 2.02 -0.68 -3.01 112.91 112.04 1trv h THR 100 Ca 0.13 -1.63 0.02 0.00 0.77 0.00 0.00 66.41 65.70 1trv h THR 100 Cb 0.55 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1trv h THR 100 CO -0.00 0.50 0.36 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N 0.19 1.09 0.00 3.11 2.04 0.25 0.43 117.51 124.61 1trv h ILE 101 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1trv h ILE 101 Cb 0.98 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1trv h ILE 101 CO 0.08 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.47 0.00 -0.03 1.72 5.15 -1.00 -2.24 115.26 114.40 1trv n ASN 102 Ca 0.06 -0.86 -0.07 0.00 -0.60 0.00 0.00 54.58 53.12 1trv n ASN 102 Cb 0.11 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.31 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 4.81 -0.00 -3.35 114.58 116.70 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1trv h GLU 103 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1trv h GLU 103 CO 0.00 0.35 0.00 1.28 -0.73 0.00 0.00 179.01 179.91 1trv n LEU 104 N -4.76 4.86 0.00 1.64 4.77 -1.23 -5.13 117.00 117.15 1trv n LEU 104 Ca -0.05 -2.84 0.01 0.00 -0.03 0.00 0.00 56.01 53.11 1trv n LEU 104 Cb 0.21 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1trv n LEU 104 CO 0.16 0.68 0.32 0.55 -1.33 0.00 0.00 177.39 177.77