#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 0.11 -0.17 2.03 1.01 -1.26 -4.25 120.40 117.86 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 -2.47 0.08 0.00 0.00 0.00 0.00 36.38 33.99 1trv s VAL 2 CO 0.00 0.00 0.36 -0.75 0.00 0.00 0.00 175.10 174.71 1trv s LYS 3 N -3.56 0.26 -0.08 2.72 2.20 -1.19 -5.01 119.74 115.08 1trv s LYS 3 Ca 0.38 0.91 -0.30 0.00 -0.36 0.00 0.00 55.97 56.60 1trv s LYS 3 Cb 0.03 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1trv s LYS 3 CO 0.24 -0.26 1.00 -1.14 -0.36 0.00 0.00 175.35 174.83 1trv s GLN 4 N 2.45 4.46 -0.16 4.03 0.74 -1.26 -1.25 119.66 128.68 1trv s GLN 4 Ca -0.01 1.40 -0.18 0.00 0.05 0.00 0.00 55.36 56.62 1trv s GLN 4 Cb -0.12 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1trv s GLN 4 CO -0.11 -0.24 0.48 0.42 -0.55 0.00 0.00 175.29 175.28 1trv s ILE 5 N 1.74 5.17 -0.09 -2.34 -1.09 -0.58 -4.94 121.20 119.06 1trv s ILE 5 Ca 0.49 0.91 0.13 0.00 -2.23 0.00 0.00 60.65 59.95 1trv s ILE 5 Cb -0.19 -3.81 -0.24 0.00 -1.58 0.00 0.00 42.46 36.64 1trv s ILE 5 CO 0.21 0.27 0.48 -0.62 -1.23 0.00 0.00 174.94 174.05 1trv n GLU 6 N 4.13 0.65 -0.07 2.79 1.02 -1.26 -4.47 120.64 123.43 1trv n GLU 6 Ca -0.07 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.51 -1.72 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 -3.00 0.00 0.11 1.62 3.41 -1.26 -4.23 113.62 110.27 1trv n SER 7 Ca -0.22 -0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.34 1trv n SER 7 Cb 1.08 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 65.02 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 -0.12 4.33 3.64 -1.93 -3.15 116.57 119.33 1trv h LYS 8 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 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 0.46 0.02 1.15 -2.27 0.00 0.00 179.45 178.81 1trv h THR 9 N 0.00 0.94 -0.17 1.00 2.02 -2.00 -0.83 112.91 113.87 1trv h THR 9 Ca -0.04 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1trv h THR 9 Cb 1.44 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1trv h THR 9 CO 0.06 0.01 -0.38 0.00 0.37 0.00 0.00 175.52 175.59 1trv h ALA 10 N 1.09 1.04 -0.60 6.16 0.00 -1.98 -2.68 119.26 122.29 1trv h ALA 10 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1trv h ALA 10 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1trv h ALA 10 CO -0.07 0.60 0.39 0.35 0.00 0.00 0.00 179.25 180.51 1trv h PHE 11 N 0.31 0.73 0.44 0.00 3.57 -1.33 0.47 116.94 121.14 1trv h PHE 11 Ca 0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1trv h PHE 11 Cb 0.81 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1trv h PHE 11 CO 0.02 0.44 -0.21 0.37 -2.23 0.00 0.00 178.31 176.70 1trv h GLN 12 N 0.78 -0.57 0.00 1.11 4.15 -0.99 -2.13 115.11 117.47 1trv h GLN 12 Ca 0.23 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1trv h GLN 12 Cb -0.05 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1trv h GLN 12 CO -0.07 -0.28 -0.01 0.93 -1.93 0.00 0.00 178.83 177.47 1trv h GLU 13 N -0.81 0.00 -0.06 1.69 4.39 -1.31 -1.90 114.58 116.59 1trv h GLU 13 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1trv h GLU 13 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1trv h GLU 13 CO 0.10 0.01 -0.02 0.00 -1.16 0.00 0.00 179.01 177.94 1trv h ALA 14 N 1.99 0.08 0.00 3.43 0.00 0.36 -1.30 119.26 123.83 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 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 14 CO 0.00 -0.20 -0.17 -0.07 0.00 0.00 0.00 179.25 178.82 1trv h LEU 15 N -0.23 0.00 -0.20 0.00 3.38 -0.74 -1.73 115.31 115.79 1trv h LEU 15 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 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 0.17 -0.42 -0.78 0.09 0.00 0.00 178.44 177.51 1trv h ASP 16 N 0.00 0.71 0.95 -0.43 3.58 -1.01 -3.01 116.42 117.20 1trv h ASP 16 Ca -0.00 -0.55 -0.05 0.00 0.42 0.00 0.00 57.03 56.85 1trv h ASP 16 Cb 0.40 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1trv h ASP 16 CO 0.02 1.13 -0.23 0.00 -2.88 0.00 0.00 179.24 177.28 1trv h ALA 17 N 0.59 1.01 0.00 -0.78 0.00 -0.81 -2.79 119.26 116.49 1trv h ALA 17 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 17 Cb 1.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1trv h ALA 17 CO 0.09 0.29 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 1trv h ALA 18 N 1.77 1.55 0.00 0.00 0.00 -1.19 -3.47 119.26 117.92 1trv h ALA 18 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1trv h ALA 18 Cb 0.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1trv h ALA 18 CO 0.03 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1trv n GLY 19 N -0.81 1.94 0.00 0.00 0.00 -1.05 -3.36 105.19 101.90 1trv n GLY 19 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 6.49 0.00 -4.80 1.61 9.92 -1.26 -4.60 116.55 123.91 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 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 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 1.29 0.76 -1.24 1.02 -1.21 -4.40 119.74 115.96 1trv s LYS 21 Ca 0.00 0.28 -0.14 0.00 0.02 0.00 0.00 55.97 56.13 1trv s LYS 21 Cb 0.00 -1.86 0.06 0.00 -0.52 0.00 0.00 37.83 35.51 1trv s LYS 21 CO 0.00 -2.09 1.18 -1.17 -0.92 0.00 0.00 175.35 172.35 1trv s LEU 22 N -5.96 3.22 -0.28 3.17 0.20 -1.26 -4.35 118.68 113.42 1trv s LEU 22 Ca 0.63 2.26 -0.00 0.00 0.69 0.00 0.00 54.13 57.71 1trv s LEU 22 Cb -0.14 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.18 1trv s LEU 22 CO 0.53 -2.35 0.32 -0.69 -0.29 0.00 0.00 176.35 173.87 1trv s VAL 23 N -2.20 -0.46 0.57 1.68 1.01 -0.28 -3.03 120.40 117.69 1trv s VAL 23 Ca 0.71 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 1trv s VAL 23 Cb -0.26 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1trv s VAL 23 CO 0.48 -0.39 0.83 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.41 3.12 0.01 2.92 1.01 -0.42 -0.68 120.40 128.77 1trv s VAL 24 Ca 0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1trv s VAL 24 Cb -0.14 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1trv s VAL 24 CO -0.30 -0.19 0.05 -0.69 0.00 0.00 0.00 175.10 173.97 1trv s VAL 25 N -2.87 0.09 -0.24 2.92 1.01 -0.75 -2.19 120.40 118.36 1trv s VAL 25 Ca 0.55 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1trv s VAL 25 Cb -0.10 -0.31 0.05 0.00 0.00 0.00 0.00 36.38 36.02 1trv s VAL 25 CO 0.41 -0.41 -0.11 -0.62 0.00 0.00 0.00 175.10 174.37 1trv s ASP 26 N -1.30 4.14 -0.58 3.32 2.15 -1.02 -2.91 116.67 120.48 1trv s ASP 26 Ca -0.14 -1.25 -0.15 0.00 0.43 0.00 0.00 52.55 51.44 1trv s ASP 26 Cb -0.08 -1.46 0.14 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 26 CO 0.00 -0.17 0.53 -0.36 -0.17 0.00 0.00 175.17 175.00 1trv s PHE 27 N 1.19 3.35 0.00 -5.34 0.08 -0.31 -1.17 117.98 115.78 1trv s PHE 27 Ca -0.06 -1.47 0.00 0.00 0.12 0.00 0.00 56.93 55.52 1trv s PHE 27 Cb -0.19 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.49 1trv s PHE 27 CO -0.06 -1.01 0.00 0.43 -0.10 0.00 0.00 175.22 174.48 1trv n SER 28 N 4.99 1.93 -3.80 1.36 7.64 -1.15 -1.96 113.62 122.63 1trv n SER 28 Ca -0.09 -0.84 -0.18 0.00 1.01 0.00 0.00 58.87 58.77 1trv n SER 28 Cb 0.41 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.45 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 -2.00 0.39 -0.02 -0.43 0.00 -1.19 -2.95 121.76 115.57 1trv s ALA 29 Ca 0.00 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.89 1trv s ALA 29 Cb 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 23.12 22.36 1trv s ALA 29 CO 0.00 -0.17 0.90 0.00 0.00 0.00 0.00 175.76 176.49 1trv h THR 30 N 6.27 1.33 -0.01 0.00 1.03 -1.97 -3.22 112.91 116.34 1trv h THR 30 Ca -0.35 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 63.45 1trv h THR 30 Cb 1.13 3.07 -0.00 0.00 -1.07 0.00 0.00 68.15 71.28 1trv h THR 30 CO 0.40 0.77 0.03 4.11 -0.01 0.00 0.00 175.52 180.83 1trv h TRP 31 N -0.10 0.00 -3.60 0.00 5.08 -1.96 -3.41 115.95 111.97 1trv h TRP 31 Ca -0.22 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.25 1trv h TRP 31 Cb 1.93 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 28.08 1trv h TRP 31 CO 0.16 0.00 0.05 0.00 -1.28 0.00 0.00 178.44 177.37 1trv n GLY 33 N -0.99 -0.64 0.21 0.00 0.00 -1.26 -4.35 105.19 98.16 1trv n GLY 33 Ca 0.02 -0.06 -0.02 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 -0.32 0.32 -1.69 1.61 0.11 -1.96 -0.64 132.00 129.43 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 0.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1trv h PRO 34 CO 0.00 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.00 1trv n LYS 36 N 1.20 0.00 0.00 0.00 4.81 -0.26 -3.19 118.16 120.72 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 0.51 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 -0.62 0.51 -0.27 1.64 2.81 -1.12 -1.97 117.12 118.10 1trv n MET 37 Ca 0.00 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.02 1trv n MET 37 Cb 0.00 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.28 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 -1.04 0.71 0.09 2.02 5.41 -1.26 -4.32 119.36 120.97 1trv n ILE 38 Ca 0.12 -0.83 -0.03 0.00 1.00 0.00 0.00 62.75 63.02 1trv n ILE 38 Cb 0.07 0.69 -0.06 0.00 -0.71 0.00 0.00 39.64 39.63 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 4.18 0.00 0.00 0.38 2.10 -1.75 -3.19 116.57 118.30 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 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1trv h LYS 39 CO 0.00 0.73 0.00 -0.35 -2.00 0.00 0.00 179.45 177.83 1trv n PRO 40 N -3.26 0.18 -0.07 0.07 -0.05 -1.26 -1.25 135.00 129.36 1trv n PRO 40 Ca -0.01 0.41 -0.07 0.00 -0.05 0.00 0.00 63.50 63.79 1trv n PRO 40 Cb 0.86 -1.85 -0.04 0.00 -0.05 0.00 0.00 33.50 32.42 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 0.30 0.54 -1.00 -1.84 -2.91 116.94 112.03 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1trv h PHE 41 CO 0.00 0.38 -0.15 0.35 -1.61 0.00 0.00 178.31 177.28 1trv h PHE 42 N -1.00 -0.38 0.00 -0.55 3.57 -1.55 -2.19 116.94 114.84 1trv h PHE 42 Ca -0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1trv h PHE 42 Cb 0.54 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1trv h PHE 42 CO -0.03 -0.19 -0.03 1.25 -2.23 0.00 0.00 178.31 177.08 1trv h HIS 43 N -0.47 0.00 -0.17 0.41 2.76 -1.38 -1.06 115.15 115.23 1trv h HIS 43 Ca -0.04 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.02 1trv h HIS 43 Cb 0.36 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1trv h HIS 43 CO -0.04 0.03 -0.37 1.03 -1.30 0.00 0.00 177.93 177.28 1trv h SER 44 N 0.00 0.39 -0.37 3.26 0.87 -1.19 -2.52 113.55 113.99 1trv h SER 44 Ca -0.00 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1trv h SER 44 Cb 0.08 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1trv h SER 44 CO 0.00 0.72 0.25 -0.07 -0.53 0.00 0.00 176.83 177.21 1trv h LEU 45 N 0.32 0.23 -1.12 2.23 3.38 -0.93 -1.73 115.31 117.68 1trv h LEU 45 Ca 0.03 -0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.27 1trv h LEU 45 Cb 0.79 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 1trv h LEU 45 CO 0.06 0.15 0.62 0.28 0.09 0.00 0.00 178.44 179.65 1trv h SER 46 N 0.26 0.59 0.95 -0.43 0.02 -1.52 0.42 113.55 113.85 1trv h SER 46 Ca 0.16 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1trv h SER 46 Cb 0.30 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1trv h SER 46 CO -0.03 0.08 -1.02 -0.62 -1.14 0.00 0.00 176.83 174.09 1trv n GLU 47 N -4.81 0.59 0.05 3.45 -0.58 -0.67 -3.91 120.64 114.75 1trv n GLU 47 Ca 0.27 0.11 -0.05 0.00 -0.42 0.00 0.00 57.16 57.07 1trv n GLU 47 Cb 0.82 -1.81 -0.10 0.00 -0.57 0.00 0.00 31.44 29.78 1trv n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1trv h LYS 48 N 0.00 0.00 -2.53 3.49 3.64 -0.40 -3.40 116.57 117.38 1trv h LYS 48 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1trv h LYS 48 Cb 0.99 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.40 1trv h LYS 48 CO 0.00 0.67 -0.78 0.66 -2.27 0.00 0.00 179.45 177.73 1trv n TYR 49 N -3.18 1.56 0.85 1.91 4.01 0.11 -4.91 117.16 117.52 1trv n TYR 49 Ca -0.06 -3.87 0.07 0.00 -0.16 0.00 0.00 57.90 53.88 1trv n TYR 49 Cb 0.92 -0.31 0.41 0.00 -0.31 0.00 0.00 39.34 40.05 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 1.90 0.00 -1.37 7.72 3.41 -1.25 -1.72 113.62 122.31 1trv n SER 50 Ca 0.25 -0.40 0.11 0.00 -0.26 0.00 0.00 58.87 58.57 1trv n SER 50 Cb 0.43 -0.02 0.32 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.02 4.00 -4.17 4.04 5.15 -1.26 -4.91 115.26 117.09 1trv n ASN 51 Ca 0.10 -2.11 -0.19 0.00 -0.60 0.00 0.00 54.58 51.78 1trv n ASN 51 Cb 0.05 -0.50 -0.12 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 -1.26 1.15 -0.32 3.44 1.01 -0.70 -4.73 120.40 119.00 1trv s VAL 52 Ca 0.48 -1.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1trv s VAL 52 Cb 0.26 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1trv s VAL 52 CO 0.30 -0.16 0.21 -0.63 0.00 0.00 0.00 175.10 174.82 1trv s ILE 53 N -1.16 5.16 -0.17 2.22 -1.09 -1.17 -5.00 121.20 119.99 1trv s ILE 53 Ca -0.01 -0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1trv s ILE 53 Cb -0.09 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1trv s ILE 53 CO 0.02 0.08 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.45 1trv s PHE 54 N 1.71 3.10 0.43 3.97 0.08 -1.26 -1.30 117.98 124.71 1trv s PHE 54 Ca 0.06 -0.19 0.07 0.00 0.12 0.00 0.00 56.93 57.00 1trv s PHE 54 Cb -0.17 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1trv s PHE 54 CO 0.10 0.02 0.34 -0.51 -0.10 0.00 0.00 175.22 175.07 1trv s LEU 55 N 0.38 3.24 -0.23 -0.37 1.02 -0.93 -3.15 118.68 118.64 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 -1.80 0.10 0.00 0.02 0.00 0.00 46.19 44.37 1trv s LEU 55 CO 0.02 -0.69 0.19 -0.70 0.02 0.00 0.00 176.35 175.19 1trv s GLU 56 N -4.10 0.19 0.05 1.70 2.12 -0.38 -2.42 118.70 115.85 1trv s GLU 56 Ca 0.45 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.73 1trv s GLU 56 Cb -0.01 -1.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.11 1trv s GLU 56 CO 0.26 -0.81 0.06 0.08 -0.54 0.00 0.00 175.26 174.31 1trv s VAL 57 N 2.25 4.44 -0.22 3.70 1.01 -0.31 -1.53 120.40 129.74 1trv s VAL 57 Ca 0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 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 -0.21 0.22 -0.06 -0.62 0.00 0.00 0.00 175.10 174.43 1trv s ASP 58 N -2.09 4.16 0.00 3.32 2.15 -1.26 -2.91 116.67 120.04 1trv s ASP 58 Ca 0.26 -0.50 0.08 0.00 0.43 0.00 0.00 52.55 52.81 1trv s ASP 58 Cb -0.12 -1.70 0.47 0.00 -0.30 0.00 0.00 42.92 41.28 1trv s ASP 58 CO 0.18 -0.04 0.95 1.33 -0.17 0.00 0.00 175.17 177.42 1trv n VAL 59 N 4.76 0.07 -0.08 1.11 0.24 -1.15 0.14 118.33 123.41 1trv n VAL 59 Ca -0.18 0.02 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1trv n VAL 59 Cb 0.50 -0.89 -0.07 0.00 -1.47 0.00 0.00 33.84 31.91 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 -1.02 2.01 0.02 -1.34 9.92 -1.26 -3.79 116.55 121.09 1trv n ASP 60 Ca 0.06 0.06 -0.05 0.00 -0.53 0.00 0.00 54.79 54.33 1trv n ASP 60 Cb 0.03 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.04 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 -0.29 0.00 -0.51 -2.24 3.58 -1.88 -3.35 116.42 111.72 1trv h ASP 61 Ca -0.39 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.69 1trv h ASP 61 Cb 1.46 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 42.22 1trv h ASP 61 CO -0.15 0.83 -0.71 0.00 -2.88 0.00 0.00 179.24 176.33 1trv n ALA 62 N -2.44 4.59 0.10 -0.78 0.00 0.12 -4.77 120.51 117.33 1trv n ALA 62 Ca -0.10 -3.63 0.05 0.00 0.00 0.00 0.00 53.44 49.76 1trv n ALA 62 Cb 0.94 -0.34 0.26 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.84 0.06 -0.09 0.00 10.64 -1.21 -0.64 117.38 125.31 1trv n GLN 63 Ca 0.36 0.50 -0.15 0.00 -1.83 0.00 0.00 57.00 55.88 1trv n GLN 63 Cb 0.88 -1.89 -0.04 0.00 -0.86 0.00 0.00 30.24 28.33 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 0.97 0.67 2.61 2.03 -1.90 -2.31 116.42 118.50 1trv h ASP 64 Ca 0.00 -0.52 -0.26 0.00 -0.73 0.00 0.00 57.03 55.52 1trv h ASP 64 Cb 0.36 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1trv h ASP 64 CO 0.00 1.30 -1.20 0.58 -1.03 0.00 0.00 179.24 178.89 1trv h VAL 65 N 0.67 1.53 -0.60 4.15 2.07 -1.21 -3.25 116.25 119.61 1trv h VAL 65 Ca 0.03 -3.09 -0.03 0.00 0.82 0.00 0.00 66.70 64.43 1trv h VAL 65 Cb 1.10 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.76 1trv h VAL 65 CO 0.11 0.90 0.25 0.00 0.02 0.00 0.00 177.57 178.86 1trv h ALA 66 N 0.64 1.31 0.00 1.67 0.00 -1.48 -1.44 119.26 119.96 1trv h ALA 66 Ca -0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1trv h ALA 66 Cb 1.93 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1trv h ALA 66 CO 0.19 0.52 -0.22 0.77 0.00 0.00 0.00 179.25 180.51 1trv h SER 67 N 0.86 0.00 0.63 0.00 0.02 -1.45 0.14 113.55 113.75 1trv h SER 67 Ca 0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1trv h SER 67 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1trv h SER 67 CO -0.02 0.22 -0.39 -0.08 -1.14 0.00 0.00 176.83 175.42 1trv h GLU 68 N 0.00 -0.93 -0.00 3.45 4.22 -1.30 -1.70 114.58 118.32 1trv h GLU 68 Ca -0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1trv h GLU 68 Cb 0.43 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1trv h GLU 68 CO 0.03 -0.62 -0.02 0.00 -2.18 0.00 0.00 179.01 176.22 1trv n ALA 69 N -2.62 2.65 -3.38 2.92 0.00 -1.14 -4.94 120.51 114.01 1trv n ALA 69 Ca -0.13 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 1trv n ALA 69 Cb 0.41 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.89 -1.43 -2.80 0.00 1.02 0.45 -4.88 120.64 112.10 1trv n GLU 70 Ca 0.20 1.06 -0.43 0.00 -0.02 0.00 0.00 57.16 57.97 1trv n GLU 70 Cb 0.20 -4.55 -0.04 0.00 -0.02 0.00 0.00 31.44 27.03 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 -3.11 4.40 -0.22 2.62 1.01 -0.94 -4.85 120.40 119.30 1trv s VAL 71 Ca 0.12 0.58 0.16 0.00 0.00 0.00 0.00 61.98 62.85 1trv s VAL 71 Cb -0.04 -4.50 0.57 0.00 0.00 0.00 0.00 36.38 32.41 1trv s VAL 71 CO 0.81 -0.99 1.47 0.29 0.00 0.00 0.00 175.10 176.68 1trv n LYS 72 N 7.40 3.24 -3.21 2.72 4.76 -1.26 -4.85 118.16 126.96 1trv n LYS 72 Ca 0.05 -2.87 -0.01 0.00 -2.87 0.00 0.00 58.31 52.61 1trv n LYS 72 Cb 0.48 -1.90 -0.02 0.00 -1.84 0.00 0.00 35.03 31.75 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1trv s ALA 73 N -2.75 -1.94 0.13 7.82 0.00 -1.26 -5.15 121.76 118.60 1trv s ALA 73 Ca 0.44 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.35 1trv s ALA 73 Cb 0.35 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1trv s ALA 73 CO 0.10 -1.69 0.20 0.95 0.00 0.00 0.00 175.76 175.32 1trv s THR 74 N 2.73 4.98 0.75 0.00 -4.23 -1.26 -4.18 115.64 114.43 1trv s THR 74 Ca 0.12 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1trv s THR 74 Cb -0.12 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 70.25 1trv s THR 74 CO -0.26 -0.03 1.09 -2.16 -0.54 0.00 0.00 174.62 172.72 1trv s PRO 75 N -2.96 2.46 0.01 3.99 0.04 -1.26 -4.91 135.00 132.37 1trv s PRO 75 Ca 0.33 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1trv s PRO 75 Cb -0.11 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.26 -1.35 0.24 0.99 0.04 0.00 0.00 177.00 177.18 1trv s THR 76 N -3.20 0.08 0.02 1.26 2.01 -0.83 -3.18 115.64 111.80 1trv s THR 76 Ca 0.59 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1trv s THR 76 Cb -0.13 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1trv s THR 76 CO 0.54 -0.37 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.58 1trv s PHE 77 N -1.85 1.44 0.03 4.92 0.40 -0.94 -1.17 117.98 120.82 1trv s PHE 77 Ca -0.10 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 55.96 1trv s PHE 77 Cb -0.04 -0.88 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 1trv s PHE 77 CO 0.00 0.03 -0.17 -0.65 0.70 0.00 0.00 175.22 175.13 1trv s GLN 78 N -0.87 1.16 -0.34 0.44 -0.21 -1.14 -2.08 119.66 116.62 1trv s GLN 78 Ca 0.05 -0.81 -0.07 0.00 0.02 0.00 0.00 55.36 54.55 1trv s GLN 78 Cb -0.07 -1.21 0.04 0.00 1.00 0.00 0.00 33.01 32.77 1trv s GLN 78 CO 0.01 0.31 0.11 -0.06 -2.12 0.00 0.00 175.29 173.53 1trv s PHE 79 N -0.77 3.24 0.12 0.91 0.40 0.11 -1.82 117.98 120.18 1trv s PHE 79 Ca 0.05 -1.35 0.06 0.00 -0.60 0.00 0.00 56.93 55.09 1trv s PHE 79 Cb -0.08 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1trv s PHE 79 CO 0.01 -0.71 -0.03 -0.06 0.70 0.00 0.00 175.22 175.13 1trv s PHE 80 N 1.42 2.87 -0.17 0.36 0.08 0.14 -1.99 117.98 120.69 1trv s PHE 80 Ca -0.01 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 1trv s PHE 80 Cb -0.19 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 40.86 1trv s PHE 80 CO 0.03 0.48 0.42 0.21 -0.10 0.00 0.00 175.22 176.26 1trv s LYS 81 N -2.49 0.42 -1.25 0.44 2.20 -0.69 -1.12 119.74 117.24 1trv s LYS 81 Ca 0.25 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1trv s LYS 81 Cb -0.11 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1trv s LYS 81 CO 0.17 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 4.09 -1.32 -1.89 4.03 5.02 -1.26 0.93 118.16 127.76 1trv n LYS 82 Ca -0.22 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1trv n LYS 82 Cb 0.56 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 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 -0.18 0.44 2.89 0.72 0.00 -1.26 -5.05 105.19 102.75 1trv n GLY 83 Ca -0.12 -0.85 -0.22 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 -3.83 0.98 0.04 1.61 -1.52 0.26 -5.11 119.66 112.10 1trv s GLN 84 Ca 0.00 -0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1trv s GLN 84 Cb 0.00 -1.01 -0.07 0.00 -0.22 0.00 0.00 33.01 31.71 1trv s GLN 84 CO 0.00 -0.12 1.61 0.21 -0.25 0.00 0.00 175.29 176.74 1trv s LYS 85 N 1.12 4.21 -0.00 2.91 2.20 -1.26 -1.70 119.74 127.21 1trv s LYS 85 Ca -0.08 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 1trv s LYS 85 Cb -0.14 -3.64 -0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1trv s LYS 85 CO -0.01 -0.72 0.00 1.33 -0.36 0.00 0.00 175.35 175.59 1trv n VAL 86 N 4.80 0.00 -3.57 4.02 0.24 -0.84 -4.96 118.33 118.01 1trv n VAL 86 Ca 0.16 -0.28 -0.06 0.00 -2.04 0.00 0.00 64.34 62.12 1trv n VAL 86 Cb 0.41 0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.46 -0.31 -0.15 7.63 0.00 -1.18 -5.02 107.32 106.84 1trv s GLY 87 Ca 0.00 1.58 -0.33 0.00 0.00 0.00 0.00 44.72 45.97 1trv s GLY 87 CO 0.00 0.57 1.13 -1.83 0.00 0.00 0.00 173.10 172.97 1trv s GLU 88 N -2.38 0.43 -0.17 2.90 -1.05 -1.26 0.08 118.70 117.26 1trv s GLU 88 Ca 0.07 -0.14 -0.30 0.00 -0.15 0.00 0.00 54.97 54.45 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 -0.05 -0.19 1.05 -0.59 0.95 0.00 0.00 175.26 176.43 1trv s PHE 89 N -2.48 -0.32 -0.05 4.83 -0.12 -0.88 -5.00 117.98 113.96 1trv s PHE 89 Ca 0.08 0.52 0.05 0.00 -0.05 0.00 0.00 56.93 57.53 1trv s PHE 89 Cb -0.01 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1trv s PHE 89 CO -0.06 -0.30 -0.20 -1.54 -0.05 0.00 0.00 175.22 173.07 1trv s SER 90 N -1.17 3.54 0.00 1.98 1.04 -1.26 -2.22 113.70 115.60 1trv s SER 90 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1trv s SER 90 Cb -0.01 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.30 1trv s SER 90 CO -0.00 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1trv n GLY 91 N 2.65 4.11 1.73 7.32 0.00 -1.19 -4.97 105.19 114.84 1trv n GLY 91 Ca -0.17 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.15 5.09 -3.38 4.61 0.00 -1.26 -4.71 120.51 119.72 1trv n ALA 92 Ca 0.00 -0.85 -0.44 0.00 0.00 0.00 0.00 53.44 52.15 1trv n ALA 92 Cb 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 19.45 17.83 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 1.99 6.98 0.49 0.00 3.84 -1.26 -4.87 114.94 122.11 1trv s ASN 93 Ca 0.31 -3.34 0.15 0.00 0.21 0.00 0.00 52.86 50.19 1trv s ASN 93 Cb 0.15 -2.17 1.16 0.00 -0.55 0.00 0.00 41.25 39.84 1trv s ASN 93 CO -0.00 -0.36 2.09 0.07 -2.79 0.00 0.00 177.10 176.11 1trv h LYS 94 N 6.92 0.17 -0.11 0.43 2.10 -1.99 -1.02 116.57 123.06 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 0.92 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 1trv h LYS 94 CO 0.92 0.11 -0.34 0.93 -2.00 0.00 0.00 179.45 179.07 1trv h GLU 95 N 0.18 0.22 -0.44 0.07 5.08 -1.99 -2.76 114.58 114.94 1trv h GLU 95 Ca 0.10 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1trv h GLU 95 Cb 0.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1trv h GLU 95 CO -0.02 0.54 0.13 -0.22 -1.00 0.00 0.00 179.01 178.45 1trv h LYS 96 N 0.19 0.64 -0.98 2.33 3.64 -1.59 -2.28 116.57 118.52 1trv h LYS 96 Ca 0.02 -0.10 0.22 0.00 -1.27 0.00 0.00 60.65 59.52 1trv h LYS 96 Cb 0.70 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.33 1trv h LYS 96 CO 0.05 0.57 0.63 -0.07 -2.27 0.00 0.00 179.45 178.36 1trv h LEU 97 N 0.63 0.51 0.56 5.20 3.38 -1.48 0.29 115.31 124.40 1trv h LEU 97 Ca 0.15 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1trv h LEU 97 Cb 0.20 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1trv h LEU 97 CO -0.01 0.16 -0.27 -0.08 0.09 0.00 0.00 178.44 178.33 1trv h GLU 98 N 0.49 -0.73 -0.21 1.13 4.57 -1.55 0.18 114.58 118.47 1trv h GLU 98 Ca 0.54 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.84 1trv h GLU 98 Cb 1.23 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1trv h GLU 98 CO -0.27 -0.49 0.17 0.00 -1.18 0.00 0.00 179.01 177.24 1trv h ALA 99 N -1.59 2.07 -0.14 2.92 0.00 -1.49 -1.66 119.26 119.37 1trv h ALA 99 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 99 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1trv h ALA 99 CO 0.13 -0.28 -0.33 1.15 0.00 0.00 0.00 179.25 179.92 1trv h THR 100 N 0.00 1.36 -0.58 0.00 2.02 -0.13 -3.01 112.91 112.57 1trv h THR 100 Ca 0.10 -1.60 0.03 0.00 0.77 0.00 0.00 66.41 65.71 1trv h THR 100 Cb 0.44 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 1trv h THR 100 CO -0.00 0.48 0.38 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N 0.08 1.07 0.00 3.11 2.04 0.30 0.44 117.51 124.55 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 0.93 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1trv h ILE 101 CO 0.07 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trv n ASN 102 N -4.47 0.00 -0.04 1.72 5.15 -1.00 -2.16 115.26 114.46 1trv n ASN 102 Ca 0.07 -0.82 -0.08 0.00 -0.60 0.00 0.00 54.58 53.15 1trv n ASN 102 Cb 0.14 -0.01 -0.07 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 -0.04 -0.47 1.20 4.57 0.03 -3.35 114.58 116.51 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 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1trv h GLU 103 CO 0.00 0.46 0.00 1.28 -1.18 0.00 0.00 179.01 179.57 1trv n LEU 104 N -4.74 4.75 0.00 1.64 4.77 -1.23 -5.13 117.00 117.06 1trv n LEU 104 Ca -0.06 -2.80 0.02 0.00 -0.03 0.00 0.00 56.01 53.14 1trv n LEU 104 Cb 0.25 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1trv n LEU 104 CO 0.19 0.69 0.33 0.55 -1.33 0.00 0.00 177.39 177.82