#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 0.20 -0.15 2.03 1.01 -1.26 -4.20 120.40 118.03 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 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 33.92 1trv s VAL 2 CO 0.00 0.00 0.31 -0.75 0.00 0.00 0.00 175.10 174.66 1trv s LYS 3 N -3.94 0.22 -0.04 2.72 2.20 -1.20 -5.01 119.74 114.69 1trv s LYS 3 Ca 0.38 0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 56.50 1trv s LYS 3 Cb 0.06 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 1trv s LYS 3 CO 0.16 -0.25 1.02 -1.14 -0.36 0.00 0.00 175.35 174.77 1trv s GLN 4 N 2.26 4.49 -0.16 4.03 0.74 -1.26 -1.40 119.66 128.37 1trv s GLN 4 Ca -0.02 1.45 -0.16 0.00 0.05 0.00 0.00 55.36 56.68 1trv s GLN 4 Cb -0.12 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1trv s GLN 4 CO -0.10 -0.18 0.41 0.42 -0.55 0.00 0.00 175.29 175.29 1trv s ILE 5 N 1.43 5.22 -0.11 -2.34 -1.09 -0.62 -4.94 121.20 118.76 1trv s ILE 5 Ca 0.51 0.78 0.13 0.00 -2.23 0.00 0.00 60.65 59.84 1trv s ILE 5 Cb -0.21 -3.75 -0.24 0.00 -1.58 0.00 0.00 42.46 36.69 1trv s ILE 5 CO 0.24 0.31 0.43 -0.62 -1.23 0.00 0.00 174.94 174.07 1trv n GLU 6 N 3.93 0.66 0.00 2.79 4.71 -1.26 -4.49 120.64 126.98 1trv n GLU 6 Ca -0.08 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1trv n GLU 6 Cb 0.51 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 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 -2.98 0.00 0.08 1.62 3.41 -1.26 -4.19 113.62 110.30 1trv n SER 7 Ca -0.24 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.35 1trv n SER 7 Cb 1.08 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.98 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 -0.08 4.33 3.64 -1.93 -3.07 116.57 119.46 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 0.64 -0.03 1.15 -2.27 0.00 0.00 179.45 178.94 1trv h THR 9 N 0.00 0.89 -0.10 1.00 2.02 -2.00 -0.16 112.91 114.56 1trv h THR 9 Ca -0.06 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 1trv h THR 9 Cb 1.61 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1trv h THR 9 CO 0.09 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.57 1trv h ALA 10 N 1.05 1.14 0.03 6.16 0.00 -1.98 -2.46 119.26 123.21 1trv h ALA 10 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1trv h ALA 10 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 10 CO -0.09 0.58 -0.02 0.35 0.00 0.00 0.00 179.25 180.07 1trv h PHE 11 N 0.18 -0.04 -0.07 0.00 3.57 -1.22 0.18 116.94 119.54 1trv h PHE 11 Ca 0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.80 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1trv h PHE 11 CO 0.01 0.00 0.04 0.37 -2.23 0.00 0.00 178.31 176.50 1trv h GLN 12 N -0.07 0.10 0.00 1.11 4.15 -0.96 -1.78 115.11 117.66 1trv h GLN 12 Ca -0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1trv h GLN 12 Cb 0.06 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1trv h GLN 12 CO 0.01 0.17 -0.01 0.93 -1.93 0.00 0.00 178.83 178.00 1trv h GLU 13 N 0.00 0.00 -0.08 1.69 4.39 -1.28 -1.83 114.58 117.47 1trv h GLU 13 Ca 0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1trv h GLU 13 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1trv h GLU 13 CO -0.00 0.01 -0.04 0.00 -1.16 0.00 0.00 179.01 177.82 1trv h ALA 14 N 1.99 0.11 0.00 3.43 0.00 0.21 -2.19 119.26 122.81 1trv h ALA 14 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 14 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 14 CO 0.00 -0.13 -0.08 -0.07 0.00 0.00 0.00 179.25 178.97 1trv h LEU 15 N -0.21 0.00 -0.08 0.00 3.38 -0.89 -1.72 115.31 115.80 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 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1trv h LEU 15 CO 0.01 0.08 -0.14 -0.78 0.09 0.00 0.00 178.44 177.70 1trv h ASP 16 N 0.00 0.25 1.20 -0.43 3.58 -0.98 -3.03 116.42 117.01 1trv h ASP 16 Ca -0.00 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 56.90 1trv h ASP 16 Cb 0.33 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 1trv h ASP 16 CO 0.01 0.76 -0.00 0.00 -2.88 0.00 0.00 179.24 177.13 1trv h ALA 17 N 0.50 1.00 -0.36 -0.78 0.00 -1.06 -2.92 119.26 115.64 1trv h ALA 17 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1trv h ALA 17 Cb 0.71 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1trv h ALA 17 CO 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.22 1trv h ALA 18 N 2.00 1.22 0.00 0.00 0.00 -1.20 -3.47 119.26 117.81 1trv h ALA 18 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 18 Cb 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1trv h ALA 18 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1trv n GLY 19 N -0.68 1.65 0.00 0.00 0.00 -1.11 -3.63 105.19 101.42 1trv n GLY 19 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 5.60 0.00 -4.72 1.61 9.92 -1.26 -4.60 116.55 123.10 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 0.14 0.00 -0.64 0.00 0.00 41.12 40.62 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 1.06 0.79 -1.24 1.02 -1.24 -4.53 119.74 115.59 1trv s LYS 21 Ca 0.00 0.24 -0.13 0.00 0.02 0.00 0.00 55.97 56.10 1trv s LYS 21 Cb 0.00 -1.83 0.07 0.00 -0.52 0.00 0.00 37.83 35.55 1trv s LYS 21 CO 0.00 -2.24 1.17 -1.17 -0.92 0.00 0.00 175.35 172.19 1trv s LEU 22 N -6.05 3.14 -0.29 3.17 0.20 -1.26 -4.48 118.68 113.12 1trv s LEU 22 Ca 0.64 2.22 0.00 0.00 0.69 0.00 0.00 54.13 57.69 1trv s LEU 22 Cb -0.14 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.53 -2.46 0.34 -0.69 -0.29 0.00 0.00 176.35 173.78 1trv s VAL 23 N -2.32 -0.48 0.58 1.68 1.01 -0.88 -3.09 120.40 116.90 1trv s VAL 23 Ca 0.70 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1trv s VAL 23 Cb -0.25 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1trv s VAL 23 CO 0.50 -0.41 0.84 -0.69 0.00 0.00 0.00 175.10 175.35 1trv s VAL 24 N 2.41 3.08 0.02 2.92 1.01 -0.59 -0.89 120.40 128.35 1trv s VAL 24 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1trv s VAL 24 Cb -0.13 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1trv s VAL 24 CO -0.32 -0.18 0.01 -0.69 0.00 0.00 0.00 175.10 173.92 1trv s VAL 25 N -2.89 0.10 -0.26 2.92 1.01 -0.70 -2.53 120.40 118.05 1trv s VAL 25 Ca 0.55 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1trv s VAL 25 Cb -0.10 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.05 1trv s VAL 25 CO 0.41 -0.45 -0.11 -0.62 0.00 0.00 0.00 175.10 174.33 1trv s ASP 26 N -1.37 4.40 -0.64 3.32 2.15 -1.02 -2.91 116.67 120.59 1trv s ASP 26 Ca -0.15 -1.37 -0.15 0.00 0.43 0.00 0.00 52.55 51.31 1trv s ASP 26 Cb -0.09 -1.53 0.16 0.00 -0.30 0.00 0.00 42.92 41.16 1trv s ASP 26 CO -0.00 -0.19 0.59 -0.36 -0.17 0.00 0.00 175.17 175.04 1trv s PHE 27 N 1.12 3.44 0.09 -5.34 0.40 0.09 -1.15 117.98 116.62 1trv s PHE 27 Ca -0.09 -1.57 0.01 0.00 -0.60 0.00 0.00 56.93 54.68 1trv s PHE 27 Cb -0.20 -3.79 0.01 0.00 0.51 0.00 0.00 43.02 39.55 1trv s PHE 27 CO -0.05 -1.01 0.05 0.43 0.70 0.00 0.00 175.22 175.34 1trv n SER 28 N 4.77 1.47 -3.77 1.36 7.64 -1.14 -1.91 113.62 122.03 1trv n SER 28 Ca -0.04 -1.32 -0.24 0.00 1.01 0.00 0.00 58.87 58.28 1trv n SER 28 Cb 0.42 0.01 -0.17 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.13 0.82 0.02 -0.43 0.00 -1.19 -2.93 121.76 115.93 1trv s ALA 29 Ca 0.04 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 1trv s ALA 29 Cb -0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 23.12 22.05 1trv s ALA 29 CO 0.03 -0.64 1.19 0.00 0.00 0.00 0.00 175.76 176.34 1trv h THR 30 N 6.36 1.40 -0.15 0.00 1.03 -1.96 -3.01 112.91 116.57 1trv h THR 30 Ca -0.20 -1.85 0.04 0.00 -0.01 0.00 0.00 66.41 64.40 1trv h THR 30 Cb 1.12 2.32 -0.01 0.00 -1.07 0.00 0.00 68.15 70.51 1trv h THR 30 CO 0.29 0.55 0.22 4.11 -0.01 0.00 0.00 175.52 180.68 1trv h TRP 31 N -0.00 0.00 -3.57 0.00 5.08 -1.96 -3.41 115.95 112.09 1trv h TRP 31 Ca -0.04 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.43 1trv h TRP 31 Cb 1.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.28 1trv h TRP 31 CO 0.12 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.32 1trv n GLY 33 N -0.88 -0.65 0.22 0.00 0.00 -1.26 -4.37 105.19 98.26 1trv n GLY 33 Ca 0.02 -0.07 -0.01 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 -0.36 0.41 -1.74 1.61 0.11 -1.96 -1.08 132.00 128.99 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 0.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1trv h PRO 34 CO 0.00 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.06 1trv n LYS 36 N 1.27 0.00 0.00 0.00 4.81 -0.42 -3.15 118.16 120.67 1trv n LYS 36 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1trv n LYS 36 Cb 0.36 -0.49 0.31 0.00 0.02 0.00 0.00 35.03 35.23 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 -0.69 0.54 -0.31 1.64 2.81 -1.12 -2.03 117.12 117.95 1trv n MET 37 Ca 0.00 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 1trv n MET 37 Cb 0.00 -1.31 0.29 0.00 -0.71 0.00 0.00 33.22 31.49 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 -0.81 0.82 0.10 2.02 5.41 -1.26 -4.31 119.36 121.34 1trv n ILE 38 Ca 0.08 -0.88 -0.01 0.00 1.00 0.00 0.00 62.75 62.94 1trv n ILE 38 Cb 0.04 0.57 -0.04 0.00 -0.71 0.00 0.00 39.64 39.50 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 4.12 0.00 0.00 0.38 2.10 -1.78 -3.14 116.57 118.25 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 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1trv h LYS 39 CO 0.00 0.68 0.00 -0.35 -2.00 0.00 0.00 179.45 177.78 1trv n PRO 40 N -3.26 0.14 -0.06 0.07 -0.05 -1.26 -1.34 135.00 129.24 1trv n PRO 40 Ca 0.00 0.37 -0.04 0.00 -0.05 0.00 0.00 63.50 63.79 1trv n PRO 40 Cb 0.82 -1.76 -0.02 0.00 -0.05 0.00 0.00 33.50 32.50 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 0.42 0.54 -1.00 -1.84 -3.08 116.94 111.99 1trv h PHE 41 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1trv h PHE 41 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1trv h PHE 41 CO 0.00 0.09 -0.20 0.35 -1.61 0.00 0.00 178.31 176.94 1trv h PHE 42 N -1.00 -0.53 0.00 -0.55 3.57 -1.53 -2.32 116.94 114.57 1trv h PHE 42 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1trv h PHE 42 Cb 0.37 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1trv h PHE 42 CO -0.11 -0.31 -0.01 1.25 -2.23 0.00 0.00 178.31 176.91 1trv h HIS 43 N -0.61 0.00 -0.05 0.41 2.76 -1.42 -0.69 115.15 115.54 1trv h HIS 43 Ca -0.06 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.01 1trv h HIS 43 Cb 0.46 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1trv h HIS 43 CO -0.04 0.01 -0.44 1.03 -1.30 0.00 0.00 177.93 177.19 1trv h SER 44 N 0.00 0.12 -0.26 3.26 0.87 -1.33 -3.09 113.55 113.13 1trv h SER 44 Ca -0.00 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1trv h SER 44 Cb 0.02 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1trv h SER 44 CO 0.00 0.55 0.09 -0.07 -0.53 0.00 0.00 176.83 176.87 1trv h LEU 45 N 0.10 0.10 -1.52 2.23 3.38 -0.89 -1.24 115.31 117.46 1trv h LEU 45 Ca 0.01 0.03 0.27 0.00 0.09 0.00 0.00 57.88 58.28 1trv h LEU 45 Cb 0.82 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1trv h LEU 45 CO 0.06 0.09 0.97 0.28 0.09 0.00 0.00 178.44 179.93 1trv h SER 46 N 0.21 0.00 0.65 -0.43 0.02 -1.62 1.56 113.55 113.94 1trv h SER 46 Ca 0.11 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 1trv h SER 46 Cb 0.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1trv h SER 46 CO -0.12 0.00 -1.48 -0.33 -1.14 0.00 0.00 176.83 173.76 1trv h GLU 47 N 0.00 0.00 0.00 3.45 3.07 -1.38 -3.33 114.58 116.39 1trv h GLU 47 Ca 0.45 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.19 1trv h GLU 47 Cb 2.38 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 30.27 1trv h GLU 47 CO -0.00 0.39 -1.05 -0.22 -1.40 0.00 0.00 179.01 176.73 1trv h LYS 48 N 0.00 0.00 -2.54 2.33 1.63 0.22 -3.40 116.57 114.81 1trv h LYS 48 Ca -0.20 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.00 1trv h LYS 48 Cb 1.74 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.97 1trv h LYS 48 CO 0.06 0.31 -0.79 0.66 -3.45 0.00 0.00 179.45 176.24 1trv n TYR 49 N -2.97 1.36 0.91 1.91 4.01 0.15 -4.91 117.16 117.61 1trv n TYR 49 Ca -0.04 -3.84 0.07 0.00 -0.16 0.00 0.00 57.90 53.93 1trv n TYR 49 Cb 0.76 -0.27 0.42 0.00 -0.31 0.00 0.00 39.34 39.94 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 2.00 0.00 -1.39 7.72 3.41 -1.25 -1.78 113.62 122.32 1trv n SER 50 Ca 0.25 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1trv n SER 50 Cb 0.43 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.99 4.07 -4.18 4.04 5.15 -1.26 -4.91 115.26 117.18 1trv n ASN 51 Ca 0.11 -2.13 -0.20 0.00 -0.60 0.00 0.00 54.58 51.76 1trv n ASN 51 Cb 0.05 -0.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.67 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 -1.28 1.21 -0.29 3.44 1.01 -0.74 -4.70 120.40 119.06 1trv s VAL 52 Ca 0.48 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1trv s VAL 52 Cb 0.27 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1trv s VAL 52 CO 0.30 -0.11 0.23 -0.63 0.00 0.00 0.00 175.10 174.90 1trv s ILE 53 N -1.10 5.28 -0.18 2.22 -1.09 -1.18 -4.91 121.20 120.25 1trv s ILE 53 Ca 0.01 0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 1trv s ILE 53 Cb -0.09 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1trv s ILE 53 CO 0.02 0.18 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.52 1trv s PHE 54 N 1.81 3.00 0.43 3.97 0.08 -1.26 -1.55 117.98 124.46 1trv s PHE 54 Ca 0.08 -0.46 0.08 0.00 0.12 0.00 0.00 56.93 56.75 1trv s PHE 54 Cb -0.16 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1trv s PHE 54 CO 0.11 -0.19 0.39 -0.51 -0.10 0.00 0.00 175.22 174.92 1trv s LEU 55 N 0.73 3.34 -0.24 -0.37 1.02 -1.05 -3.27 118.68 118.84 1trv s LEU 55 Ca -0.01 -0.78 -0.04 0.00 0.02 0.00 0.00 54.13 53.32 1trv s LEU 55 Cb -0.14 -1.98 0.10 0.00 0.02 0.00 0.00 46.19 44.18 1trv s LEU 55 CO 0.02 -0.70 0.17 -0.70 0.02 0.00 0.00 176.35 175.17 1trv s GLU 56 N -4.15 0.18 0.10 1.70 2.12 -0.49 -2.43 118.70 115.73 1trv s GLU 56 Ca 0.47 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.66 1trv s GLU 56 Cb -0.03 -1.24 -0.04 0.00 0.26 0.00 0.00 34.13 33.08 1trv s GLU 56 CO 0.28 -0.86 0.07 0.08 -0.54 0.00 0.00 175.26 174.29 1trv s VAL 57 N 2.21 4.41 -0.22 3.70 1.01 -0.30 -1.58 120.40 129.62 1trv s VAL 57 Ca 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1trv s VAL 57 Cb -0.16 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1trv s VAL 57 CO -0.24 0.08 -0.08 -0.62 0.00 0.00 0.00 175.10 174.24 1trv s ASP 58 N -2.50 4.05 0.00 3.32 2.15 -1.26 -2.87 116.67 119.55 1trv s ASP 58 Ca 0.29 -0.59 0.00 0.00 0.43 0.00 0.00 52.55 52.68 1trv s ASP 58 Cb -0.12 -1.66 0.02 0.00 -0.30 0.00 0.00 42.92 40.86 1trv s ASP 58 CO 0.21 -0.05 0.31 1.33 -0.17 0.00 0.00 175.17 176.80 1trv n VAL 59 N 4.72 0.00 -0.00 1.11 0.24 -1.15 -0.66 118.33 122.59 1trv n VAL 59 Ca -0.18 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 1trv n VAL 59 Cb 0.50 -0.37 -0.00 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.51 2.94 0.03 -1.34 9.92 -1.26 -4.35 116.55 121.97 1trv n ASP 60 Ca 0.00 -0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1trv n ASP 60 Cb 0.00 -0.02 -0.09 0.00 -0.64 0.00 0.00 41.12 40.38 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 -0.01 0.00 -1.01 -2.24 1.82 -1.87 -3.36 116.42 109.75 1trv h ASP 61 Ca -0.02 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 56.05 1trv h ASP 61 Cb 1.02 0.00 -0.42 0.00 0.68 0.00 0.00 39.33 40.61 1trv h ASP 61 CO -0.01 0.75 -0.71 0.00 -1.61 0.00 0.00 179.24 177.66 1trv n ALA 62 N -2.42 5.10 0.22 -0.78 0.00 0.16 -4.79 120.51 118.01 1trv n ALA 62 Ca -0.09 -3.95 0.11 0.00 0.00 0.00 0.00 53.44 49.51 1trv n ALA 62 Cb 0.90 -0.46 0.58 0.00 0.00 0.00 0.00 19.45 20.47 1trv n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1trv h GLN 63 N 2.31 0.00 -0.35 0.00 4.20 -1.72 0.95 115.11 120.49 1trv h GLN 63 Ca 0.36 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.90 1trv h GLN 63 Cb 1.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.08 1trv h GLN 63 CO 0.83 0.00 -0.44 0.38 -0.67 0.00 0.00 178.83 178.93 1trv h ASP 64 N 0.00 0.99 0.35 1.46 2.03 -1.91 -0.81 116.42 118.54 1trv h ASP 64 Ca 0.00 -0.48 -0.31 0.00 -0.73 0.00 0.00 57.03 55.51 1trv h ASP 64 Cb 0.43 -0.28 0.03 0.00 -0.83 0.00 0.00 39.33 38.67 1trv h ASP 64 CO 0.00 1.28 -1.34 0.58 -1.03 0.00 0.00 179.24 178.73 1trv h VAL 65 N 0.74 1.35 -0.53 4.15 2.07 -1.14 -3.19 116.25 119.70 1trv h VAL 65 Ca 0.05 -2.75 -0.04 0.00 0.82 0.00 0.00 66.70 64.77 1trv h VAL 65 Cb 1.04 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.70 1trv h VAL 65 CO 0.10 0.82 0.15 0.00 0.02 0.00 0.00 177.57 178.66 1trv h ALA 66 N 0.34 1.27 0.00 1.67 0.00 -1.41 -1.70 119.26 119.43 1trv h ALA 66 Ca -0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1trv h ALA 66 Cb 2.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1trv h ALA 66 CO 0.24 0.51 -0.22 0.77 0.00 0.00 0.00 179.25 180.55 1trv h SER 67 N 0.77 0.00 0.80 0.00 0.02 -1.18 0.35 113.55 114.30 1trv h SER 67 Ca 0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1trv h SER 67 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1trv h SER 67 CO -0.01 0.22 -0.43 -0.08 -1.14 0.00 0.00 176.83 175.39 1trv h GLU 68 N 0.00 -1.09 -0.00 3.45 4.81 -1.29 -2.24 114.58 118.21 1trv h GLU 68 Ca -0.00 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1trv h GLU 68 Cb 0.42 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1trv h GLU 68 CO 0.03 -0.73 -0.05 0.00 -0.73 0.00 0.00 179.01 177.53 1trv n ALA 69 N -2.64 2.65 -3.29 2.92 0.00 -1.15 -4.94 120.51 114.06 1trv n ALA 69 Ca -0.15 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1trv n ALA 69 Cb 0.47 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.51 1trv n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1trv n GLU 70 N -1.01 -1.45 -2.81 0.00 2.13 0.12 -4.89 120.64 112.73 1trv n GLU 70 Ca 0.17 1.18 -0.43 0.00 0.66 0.00 0.00 57.16 58.74 1trv n GLU 70 Cb 0.23 -4.91 -0.04 0.00 0.27 0.00 0.00 31.44 27.00 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1trv s VAL 71 N -3.09 4.42 -0.19 6.31 1.01 -0.90 -4.85 120.40 123.11 1trv s VAL 71 Ca 0.10 0.61 0.17 0.00 0.00 0.00 0.00 61.98 62.85 1trv s VAL 71 Cb -0.02 -4.49 0.52 0.00 0.00 0.00 0.00 36.38 32.39 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 2.84 -3.20 2.72 4.76 -1.26 -4.88 118.16 126.48 1trv n LYS 72 Ca 0.05 -2.82 0.01 0.00 -2.87 0.00 0.00 58.31 52.67 1trv n LYS 72 Cb 0.48 -1.82 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.81 -1.99 0.14 7.82 0.00 -1.26 -5.16 121.76 118.51 1trv s ALA 73 Ca 0.41 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.82 1trv s ALA 73 Cb 0.34 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1trv s ALA 73 CO 0.09 -1.44 0.16 0.95 0.00 0.00 0.00 175.76 175.52 1trv s THR 74 N 2.77 4.73 0.72 0.00 -4.23 -1.26 -4.19 115.64 114.18 1trv s THR 74 Ca 0.17 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.66 1trv s THR 74 Cb -0.14 -3.39 0.02 0.00 1.34 0.00 0.00 72.50 70.33 1trv s THR 74 CO -0.22 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.73 1trv s PRO 75 N -2.99 2.74 -0.09 3.99 0.04 -1.26 -4.92 135.00 132.51 1trv s PRO 75 Ca 0.32 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 1trv s PRO 75 Cb -0.11 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1trv s PRO 75 CO 0.25 -1.17 0.29 0.99 0.04 0.00 0.00 177.00 177.40 1trv s THR 76 N -3.18 0.01 0.07 1.26 2.01 -0.81 -3.26 115.64 111.75 1trv s THR 76 Ca 0.58 -0.12 0.09 0.00 0.31 0.00 0.00 61.69 62.55 1trv s THR 76 Cb -0.13 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1trv s THR 76 CO 0.54 -0.07 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.79 1trv s PHE 77 N -0.19 2.15 0.03 4.92 0.40 -0.95 -0.74 117.98 123.61 1trv s PHE 77 Ca -0.03 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 1trv s PHE 77 Cb -0.03 -1.25 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 1trv s PHE 77 CO 0.01 0.17 -0.15 -0.65 0.70 0.00 0.00 175.22 175.29 1trv s GLN 78 N -1.44 1.05 -0.33 0.44 -0.21 -1.15 -2.17 119.66 115.86 1trv s GLN 78 Ca 0.11 -0.75 -0.07 0.00 0.02 0.00 0.00 55.36 54.66 1trv s GLN 78 Cb -0.10 -1.08 0.03 0.00 1.00 0.00 0.00 33.01 32.87 1trv s GLN 78 CO 0.03 0.27 0.11 -0.06 -2.12 0.00 0.00 175.29 173.52 1trv s PHE 79 N -0.76 3.23 0.18 0.91 0.40 0.11 -1.71 117.98 120.33 1trv s PHE 79 Ca 0.03 -1.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.13 1trv s PHE 79 Cb -0.08 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1trv s PHE 79 CO 0.01 -0.69 0.08 -0.06 0.70 0.00 0.00 175.22 175.26 1trv s PHE 80 N 1.44 3.00 -0.19 0.36 0.08 -0.07 -1.93 117.98 120.67 1trv s PHE 80 Ca -0.00 -0.08 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 80 Cb -0.19 -1.44 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1trv s PHE 80 CO 0.03 0.52 0.43 0.21 -0.10 0.00 0.00 175.22 176.31 1trv s LYS 81 N -3.09 0.38 -1.26 0.44 2.47 -0.44 -2.08 119.74 116.16 1trv s LYS 81 Ca 0.30 0.92 0.00 0.00 -1.56 0.00 0.00 55.97 55.62 1trv s LYS 81 Cb -0.09 0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.41 1trv s LYS 81 CO 0.21 -0.20 0.00 1.63 0.16 0.00 0.00 175.35 177.16 1trv n LYS 82 N 4.74 -1.66 -1.65 4.03 5.02 -1.26 0.85 118.16 128.22 1trv n LYS 82 Ca -0.17 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1trv n LYS 82 Cb 0.53 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 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 -0.48 0.38 2.88 0.72 0.00 -1.26 -5.04 105.19 102.39 1trv n GLY 83 Ca -0.14 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.31 1.12 0.13 1.61 -0.21 0.25 -5.11 119.66 114.14 1trv s GLN 84 Ca 0.00 -0.13 -0.31 0.00 0.02 0.00 0.00 55.36 54.94 1trv s GLN 84 Cb 0.00 -1.22 -0.09 0.00 1.00 0.00 0.00 33.01 32.70 1trv s GLN 84 CO 0.00 -0.20 1.55 0.21 -2.12 0.00 0.00 175.29 174.72 1trv s LYS 85 N 1.49 4.23 0.00 2.91 2.20 -1.26 -1.33 119.74 127.99 1trv s LYS 85 Ca -0.01 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 1trv s LYS 85 Cb -0.13 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1trv s LYS 85 CO -0.04 -0.60 0.00 1.33 -0.36 0.00 0.00 175.35 175.68 1trv n VAL 86 N 4.17 0.00 -3.54 4.02 0.24 -0.81 -4.94 118.33 117.47 1trv n VAL 86 Ca 0.14 -0.10 -0.07 0.00 -2.04 0.00 0.00 64.34 62.27 1trv n VAL 86 Cb 0.40 0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 33.33 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 -1.65 -0.40 -0.11 7.63 0.00 -1.18 -5.03 107.32 106.57 1trv s GLY 87 Ca 0.00 1.20 -0.33 0.00 0.00 0.00 0.00 44.72 45.60 1trv s GLY 87 CO 0.00 0.40 1.15 -1.83 0.00 0.00 0.00 173.10 172.82 1trv s GLU 88 N -2.88 0.46 0.00 2.90 -1.05 -1.26 0.06 118.70 116.93 1trv s GLU 88 Ca 0.07 -0.19 -0.29 0.00 -0.15 0.00 0.00 54.97 54.40 1trv s GLU 88 Cb -0.01 0.20 0.10 0.00 -0.44 0.00 0.00 34.13 33.98 1trv s GLU 88 CO -0.07 -0.20 1.04 -0.59 0.95 0.00 0.00 175.26 176.38 1trv s PHE 89 N -2.59 -0.19 0.03 4.83 -0.12 -0.92 -4.99 117.98 114.02 1trv s PHE 89 Ca 0.10 0.03 0.05 0.00 -0.05 0.00 0.00 56.93 57.05 1trv s PHE 89 Cb -0.00 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1trv s PHE 89 CO -0.05 -0.51 -0.14 -1.54 -0.05 0.00 0.00 175.22 172.94 1trv s SER 90 N -2.64 1.61 0.00 1.98 1.04 -1.26 -2.25 113.70 112.18 1trv s SER 90 Ca 0.09 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1trv s SER 90 Cb -0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1trv s SER 90 CO -0.04 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1trv n GLY 91 N 2.11 4.14 1.42 7.32 0.00 -1.20 -4.96 105.19 114.02 1trv n GLY 91 Ca -0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.22 3.77 -3.39 4.61 0.00 -1.26 -4.66 120.51 118.35 1trv n ALA 92 Ca 0.00 -0.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 1trv n ALA 92 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 1.82 6.95 0.54 0.00 3.84 -1.26 -4.86 114.94 121.98 1trv s ASN 93 Ca 0.00 -3.40 0.20 0.00 0.21 0.00 0.00 52.86 49.87 1trv s ASN 93 Cb 0.00 -2.16 1.44 0.00 -0.55 0.00 0.00 41.25 39.99 1trv s ASN 93 CO 0.00 -0.33 2.17 0.07 -2.79 0.00 0.00 177.10 176.22 1trv h LYS 94 N 6.82 0.00 -0.05 0.43 -0.00 -1.99 -0.58 116.57 121.20 1trv h LYS 94 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.72 1trv h LYS 94 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.12 1trv h LYS 94 CO 0.93 0.00 -0.37 0.93 -0.00 0.00 0.00 179.45 180.93 1trv h GLU 95 N 0.00 0.10 -0.29 0.07 5.08 -1.98 -2.59 114.58 114.97 1trv h GLU 95 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1trv h GLU 95 Cb 0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1trv h GLU 95 CO -0.00 0.46 0.04 -0.22 -1.00 0.00 0.00 179.01 178.29 1trv h LYS 96 N 0.09 0.43 -0.96 2.33 3.64 -1.51 -2.07 116.57 118.52 1trv h LYS 96 Ca 0.01 -0.07 0.22 0.00 -1.27 0.00 0.00 60.65 59.54 1trv h LYS 96 Cb 0.70 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 1trv h LYS 96 CO 0.05 0.42 0.62 -0.07 -2.27 0.00 0.00 179.45 178.21 1trv h LEU 97 N 0.42 0.47 0.53 5.20 3.38 -1.49 0.27 115.31 124.09 1trv h LEU 97 Ca 0.10 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1trv h LEU 97 Cb 0.22 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1trv h LEU 97 CO 0.00 0.16 -0.26 -0.08 0.09 0.00 0.00 178.44 178.36 1trv h GLU 98 N 0.46 -0.69 -0.22 1.13 4.81 -1.51 0.22 114.58 118.77 1trv h GLU 98 Ca 0.52 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.86 1trv h GLU 98 Cb 1.22 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 1trv h GLU 98 CO -0.23 -0.46 0.17 0.00 -0.73 0.00 0.00 179.01 177.76 1trv h ALA 99 N -1.62 2.11 -0.15 2.92 0.00 -1.50 -1.61 119.26 119.41 1trv h ALA 99 Ca -0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 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 -0.28 -0.36 1.15 0.00 0.00 0.00 179.25 179.88 1trv h THR 100 N 0.00 1.35 -0.57 0.00 2.02 -0.19 -3.02 112.91 112.51 1trv h THR 100 Ca 0.10 -1.63 0.03 0.00 0.77 0.00 0.00 66.41 65.68 1trv h THR 100 Cb 0.45 2.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1trv h THR 100 CO -0.00 0.49 0.38 0.40 0.37 0.00 0.00 175.52 177.16 1trv h ILE 101 N 0.14 1.09 0.00 3.11 2.04 0.41 0.45 117.51 124.74 1trv h ILE 101 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1trv h ILE 101 Cb 0.97 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1trv h ILE 101 CO 0.08 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.46 0.00 -0.03 1.72 5.15 -0.99 -2.14 115.26 114.50 1trv n ASN 102 Ca 0.06 -0.82 -0.08 0.00 -0.60 0.00 0.00 54.58 53.14 1trv n ASN 102 Cb 0.12 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.30 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 -0.45 1.20 4.81 0.02 -3.35 114.58 116.75 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 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 1trv n LEU 104 N -4.75 4.72 0.00 1.64 4.77 -1.22 -5.13 117.00 117.02 1trv n LEU 104 Ca -0.05 -2.84 0.01 0.00 -0.03 0.00 0.00 56.01 53.10 1trv n LEU 104 Cb 0.24 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1trv n LEU 104 CO 0.18 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.80