#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 0.12 -0.17 3.17 1.01 -1.26 -4.17 120.40 119.09 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 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.95 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 -3.79 0.29 -0.17 2.72 2.20 -1.21 -5.02 119.74 114.76 1trv s LYS 3 Ca 0.38 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.60 1trv s LYS 3 Cb 0.05 0.16 -0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1trv s LYS 3 CO 0.19 -0.23 1.04 -1.14 -0.36 0.00 0.00 175.35 174.84 1trv s GLN 4 N 2.25 4.33 -0.13 4.03 0.74 -1.26 -1.57 119.66 128.05 1trv s GLN 4 Ca -0.03 1.39 -0.18 0.00 0.05 0.00 0.00 55.36 56.59 1trv s GLN 4 Cb -0.11 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1trv s GLN 4 CO -0.12 -0.50 0.48 0.42 -0.55 0.00 0.00 175.29 175.03 1trv s ILE 5 N 2.69 5.18 -0.09 -2.34 -1.09 -0.75 -4.95 121.20 119.85 1trv s ILE 5 Ca 0.46 0.95 0.14 0.00 -2.23 0.00 0.00 60.65 59.97 1trv s ILE 5 Cb -0.17 -3.82 -0.23 0.00 -1.58 0.00 0.00 42.46 36.66 1trv s ILE 5 CO 0.12 0.31 0.49 -0.62 -1.23 0.00 0.00 174.94 174.01 1trv n GLU 6 N 3.78 0.65 -0.46 2.79 1.02 -1.26 -4.44 120.64 122.71 1trv n GLU 6 Ca -0.07 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 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 -2.95 0.00 0.17 1.62 3.41 -1.26 -4.10 113.62 110.51 1trv n SER 7 Ca -0.21 -0.44 0.05 0.00 -0.26 0.00 0.00 58.87 58.01 1trv n SER 7 Cb 1.08 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 65.13 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 -1.93 -3.06 116.57 119.65 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 0.36 -0.12 1.15 -2.27 0.00 0.00 179.45 178.56 1trv h THR 9 N 0.00 0.71 0.00 1.00 2.02 -2.00 -1.22 112.91 113.42 1trv h THR 9 Ca -0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1trv h THR 9 Cb 1.23 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1trv h THR 9 CO 0.05 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.47 1trv h ALA 10 N 0.61 1.22 -0.09 6.16 0.00 -1.98 -2.87 119.26 122.32 1trv h ALA 10 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1trv h ALA 10 Cb 0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1trv h ALA 10 CO -0.05 0.58 0.06 0.35 0.00 0.00 0.00 179.25 180.19 1trv h PHE 11 N 0.00 0.12 0.14 0.00 3.57 -1.24 0.45 116.94 119.97 1trv h PHE 11 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 11 Cb 0.83 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1trv h PHE 11 CO 0.00 0.08 -0.07 1.96 -2.23 0.00 0.00 178.31 178.05 1trv h GLN 12 N 0.12 -0.18 0.00 1.11 4.20 -1.17 -1.89 115.11 117.30 1trv h GLN 12 Ca 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1trv h GLN 12 Cb -0.01 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1trv h GLN 12 CO -0.01 0.00 -0.03 0.93 -0.67 0.00 0.00 178.83 179.06 1trv h GLU 13 N -0.33 0.00 -0.01 1.46 3.07 -1.36 -1.59 114.58 115.82 1trv h GLU 13 Ca -0.02 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1trv h GLU 13 Cb 0.27 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1trv h GLU 13 CO 0.03 0.03 -0.01 0.00 -1.40 0.00 0.00 179.01 177.66 1trv h ALA 14 N 1.97 0.02 0.00 3.43 0.00 0.57 -1.82 119.26 123.43 1trv h ALA 14 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 14 Cb 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1trv h ALA 14 CO 0.00 -0.27 -0.10 -0.07 0.00 0.00 0.00 179.25 178.81 1trv h LEU 15 N -0.38 0.00 -0.07 0.00 3.38 -0.82 -1.14 115.31 116.28 1trv h LEU 15 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 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 0.00 0.10 -0.12 -0.78 0.09 0.00 0.00 178.44 177.74 1trv h ASP 16 N 0.00 0.23 1.20 -0.43 3.58 -0.97 -3.00 116.42 117.03 1trv h ASP 16 Ca -0.00 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1trv h ASP 16 Cb 0.33 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1trv h ASP 16 CO 0.01 0.72 0.00 0.00 -2.88 0.00 0.00 179.24 177.10 1trv h ALA 17 N 0.51 1.00 -0.11 -0.78 0.00 -0.97 -2.88 119.26 116.04 1trv h ALA 17 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1trv h ALA 17 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1trv h ALA 17 CO 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.08 1trv h ALA 18 N 2.04 1.47 0.00 0.00 0.00 -1.07 -3.48 119.26 118.22 1trv h ALA 18 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 18 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1trv h ALA 18 CO 0.00 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1trv n GLY 19 N -0.76 1.39 0.00 0.00 0.00 -1.09 -3.84 105.19 100.89 1trv n GLY 19 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 6.26 0.00 -3.96 1.61 8.00 -1.26 -4.61 116.55 122.59 1trv n ASP 20 Ca 0.00 -1.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.20 1trv n ASP 20 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.31 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 -0.15 0.73 -1.24 1.02 -1.25 -4.36 119.74 114.50 1trv s LYS 21 Ca 0.00 -0.32 -0.14 0.00 0.02 0.00 0.00 55.97 55.53 1trv s LYS 21 Cb 0.00 -1.75 0.04 0.00 -0.52 0.00 0.00 37.83 35.61 1trv s LYS 21 CO 0.00 -2.95 1.18 -1.17 -0.92 0.00 0.00 175.35 171.48 1trv s LEU 22 N -6.31 3.28 -0.28 3.17 0.20 -1.26 -4.40 118.68 113.08 1trv s LEU 22 Ca 0.73 2.25 0.00 0.00 0.69 0.00 0.00 54.13 57.80 1trv s LEU 22 Cb -0.05 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.27 1trv s LEU 22 CO 0.54 -2.20 0.33 -0.69 -0.29 0.00 0.00 176.35 174.05 1trv s VAL 23 N -2.15 -0.49 0.53 1.68 1.01 -0.35 -3.12 120.40 117.51 1trv s VAL 23 Ca 0.72 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1trv s VAL 23 Cb -0.26 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1trv s VAL 23 CO 0.46 -0.37 0.77 -0.69 0.00 0.00 0.00 175.10 175.27 1trv s VAL 24 N 2.43 3.47 0.02 2.92 1.01 -0.28 -0.38 120.40 129.59 1trv s VAL 24 Ca 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1trv s VAL 24 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1trv s VAL 24 CO -0.30 -0.26 0.05 -0.69 0.00 0.00 0.00 175.10 173.90 1trv s VAL 25 N -2.76 0.11 -0.23 2.92 1.01 -0.73 -2.47 120.40 118.25 1trv s VAL 25 Ca 0.53 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1trv s VAL 25 Cb -0.10 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.83 1trv s VAL 25 CO 0.40 -0.51 -0.08 -0.62 0.00 0.00 0.00 175.10 174.30 1trv s ASP 26 N -1.64 3.84 -0.54 3.32 -1.08 -1.01 -2.91 116.67 116.66 1trv s ASP 26 Ca -0.12 -1.14 -0.15 0.00 -0.52 0.00 0.00 52.55 50.62 1trv s ASP 26 Cb -0.07 -1.26 0.13 0.00 -1.46 0.00 0.00 42.92 40.27 1trv s ASP 26 CO -0.01 -0.20 0.48 -0.36 0.52 0.00 0.00 175.17 175.59 1trv s PHE 27 N 1.34 3.30 0.06 -5.34 0.40 -0.27 -1.17 117.98 116.30 1trv s PHE 27 Ca -0.05 -1.42 0.00 0.00 -0.60 0.00 0.00 56.93 54.86 1trv s PHE 27 Cb -0.18 -3.74 0.00 0.00 0.51 0.00 0.00 43.02 39.60 1trv s PHE 27 CO -0.06 -1.01 0.01 0.43 0.70 0.00 0.00 175.22 175.28 1trv n SER 28 N 5.15 1.91 -3.77 1.36 7.64 -1.16 -1.97 113.62 122.78 1trv n SER 28 Ca -0.12 -1.27 -0.22 0.00 1.01 0.00 0.00 58.87 58.27 1trv n SER 28 Cb 0.40 0.03 -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 -2.11 0.64 -0.04 -0.43 0.00 -1.20 -2.87 121.76 115.76 1trv s ALA 29 Ca 0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 1trv s ALA 29 Cb -0.00 -0.69 -0.23 0.00 0.00 0.00 0.00 23.12 22.20 1trv s ALA 29 CO 0.01 -0.41 1.06 0.00 0.00 0.00 0.00 175.76 176.42 1trv h THR 30 N 6.32 1.52 -0.17 0.00 1.03 -1.96 -3.09 112.91 116.55 1trv h THR 30 Ca -0.22 -1.92 0.05 0.00 -0.01 0.00 0.00 66.41 64.32 1trv h THR 30 Cb 1.13 2.69 -0.01 0.00 -1.07 0.00 0.00 68.15 70.89 1trv h THR 30 CO 0.28 0.53 0.31 4.11 -0.01 0.00 0.00 175.52 180.74 1trv h TRP 31 N -0.42 0.00 -3.58 0.00 5.08 -1.96 -3.41 115.95 111.66 1trv h TRP 31 Ca -0.03 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.44 1trv h TRP 31 Cb 1.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1trv h TRP 31 CO 0.17 0.00 0.05 0.00 -1.28 0.00 0.00 178.44 177.38 1trv n GLY 33 N -1.12 -0.62 0.24 0.00 0.00 -1.26 -4.37 105.19 98.06 1trv n GLY 33 Ca 0.01 -0.07 0.00 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 -0.34 0.45 -1.45 1.61 0.11 -1.96 -0.21 132.00 130.21 1trv h PRO 34 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1trv h PRO 34 Cb 0.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1trv h PRO 34 CO 0.00 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 1trv n LYS 36 N 0.85 1.84 0.00 0.00 4.81 -0.11 -3.20 118.16 122.35 1trv n LYS 36 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1trv n LYS 36 Cb 0.34 -0.49 0.39 0.00 0.02 0.00 0.00 35.03 35.29 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 -0.34 0.17 -0.26 1.64 1.56 -1.09 -1.98 117.12 116.82 1trv n MET 37 Ca 0.00 0.16 0.11 0.00 -0.27 0.00 0.00 57.70 57.70 1trv n MET 37 Cb 0.00 -1.50 0.27 0.00 2.15 0.00 0.00 33.22 34.14 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 -1.34 0.69 0.08 1.12 5.41 -1.26 -4.32 119.36 119.74 1trv n ILE 38 Ca 0.07 -0.80 -0.05 0.00 1.00 0.00 0.00 62.75 62.97 1trv n ILE 38 Cb 0.14 0.65 -0.07 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 4.00 0.00 0.00 0.38 2.10 -1.74 -3.17 116.57 118.14 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 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1trv h LYS 39 CO 0.00 0.88 0.00 -0.35 -2.00 0.00 0.00 179.45 177.98 1trv n PRO 40 N -3.36 0.13 -0.06 0.07 -0.05 -1.26 -1.39 135.00 129.07 1trv n PRO 40 Ca 0.00 0.37 -0.04 0.00 -0.05 0.00 0.00 63.50 63.78 1trv n PRO 40 Cb 0.88 -1.75 -0.02 0.00 -0.05 0.00 0.00 33.50 32.56 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 -0.47 0.54 0.04 -1.84 -3.02 116.94 112.19 1trv h PHE 41 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1trv h PHE 41 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1trv h PHE 41 CO 0.00 0.14 0.28 0.35 -0.60 0.00 0.00 178.31 178.47 1trv h PHE 42 N -1.00 0.52 0.00 -0.55 3.57 -1.58 -1.66 116.94 116.24 1trv h PHE 42 Ca -0.02 0.02 -0.03 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 38.94 1trv h PHE 42 CO -0.09 0.30 -0.13 1.25 -2.23 0.00 0.00 178.31 177.41 1trv h HIS 43 N 0.56 0.00 -0.19 0.41 2.76 -1.41 -2.05 115.15 115.23 1trv h HIS 43 Ca 0.19 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.25 1trv h HIS 43 Cb 0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1trv h HIS 43 CO -0.07 0.13 -0.34 0.66 -1.30 0.00 0.00 177.93 177.01 1trv h SER 44 N 0.00 0.41 -0.30 3.26 4.64 -1.17 -2.50 113.55 117.89 1trv h SER 44 Ca -0.00 -0.16 0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1trv h SER 44 Cb 0.25 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1trv h SER 44 CO 0.02 0.73 0.23 -0.07 -0.87 0.00 0.00 176.83 176.87 1trv h LEU 45 N 0.34 0.00 -0.82 5.97 3.38 -1.15 -1.84 115.31 121.19 1trv h LEU 45 Ca 0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.19 1trv h LEU 45 Cb 0.77 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 1trv h LEU 45 CO 0.06 0.00 0.31 0.28 0.09 0.00 0.00 178.44 179.19 1trv h SER 46 N 0.00 0.25 0.82 -0.43 0.02 -1.52 0.23 113.55 112.92 1trv h SER 46 Ca 0.14 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1trv h SER 46 Cb 0.61 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1trv h SER 46 CO -0.00 0.03 -0.75 -0.33 -1.14 0.00 0.00 176.83 174.64 1trv h GLU 47 N 0.40 0.00 0.08 3.45 5.08 -1.52 -3.34 114.58 118.72 1trv h GLU 47 Ca 0.48 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.56 1trv h GLU 47 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1trv h GLU 47 CO -0.48 0.00 -1.42 -0.22 -1.00 0.00 0.00 179.01 175.89 1trv h LYS 48 N 0.00 0.16 -2.52 2.33 3.64 -0.76 -3.40 116.57 116.02 1trv h LYS 48 Ca 0.00 -0.27 -0.60 0.00 -1.27 0.00 0.00 60.65 58.51 1trv h LYS 48 Cb 0.79 0.10 -0.41 0.00 -0.41 0.00 0.00 32.23 32.30 1trv h LYS 48 CO 0.00 1.01 -0.71 0.66 -2.27 0.00 0.00 179.45 178.14 1trv n TYR 49 N -3.38 2.31 0.79 1.91 4.01 0.62 -4.90 117.16 118.53 1trv n TYR 49 Ca -0.12 -4.01 0.05 0.00 -0.16 0.00 0.00 57.90 53.66 1trv n TYR 49 Cb 1.02 -0.44 0.32 0.00 -0.31 0.00 0.00 39.34 39.93 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 1.62 0.00 -1.28 7.72 3.41 -1.25 -1.55 113.62 122.29 1trv n SER 50 Ca 0.25 -0.46 0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1trv n SER 50 Cb 0.41 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.92 3.71 -4.16 4.04 5.15 -1.26 -4.91 115.26 116.91 1trv n ASN 51 Ca 0.08 -2.00 -0.19 0.00 -0.60 0.00 0.00 54.58 51.87 1trv n ASN 51 Cb 0.04 -0.45 -0.12 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 -1.10 1.13 -0.33 3.44 1.01 -0.60 -4.70 120.40 119.25 1trv s VAL 52 Ca 0.46 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1trv s VAL 52 Cb 0.24 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1trv s VAL 52 CO 0.32 -0.13 0.27 -0.63 0.00 0.00 0.00 175.10 174.92 1trv s ILE 53 N -1.10 5.26 -0.17 2.22 -1.09 -1.18 -4.80 121.20 120.34 1trv s ILE 53 Ca -0.00 -0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 58.27 1trv s ILE 53 Cb -0.09 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1trv s ILE 53 CO 0.02 0.00 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.36 1trv s PHE 54 N 1.80 3.09 0.41 3.97 0.08 -1.26 -1.13 117.98 124.95 1trv s PHE 54 Ca 0.08 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 57.01 1trv s PHE 54 Cb -0.17 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1trv s PHE 54 CO 0.11 0.01 0.30 -0.51 -0.10 0.00 0.00 175.22 175.03 1trv s LEU 55 N 0.40 3.28 -0.25 -0.37 1.02 -1.03 -3.29 118.68 118.44 1trv s LEU 55 Ca -0.02 -0.88 -0.04 0.00 0.02 0.00 0.00 54.13 53.22 1trv s LEU 55 Cb -0.14 -1.81 0.10 0.00 0.02 0.00 0.00 46.19 44.36 1trv s LEU 55 CO 0.02 -0.61 0.15 -0.70 0.02 0.00 0.00 176.35 175.24 1trv s GLU 56 N -4.04 0.18 0.14 1.70 2.12 -0.61 -2.40 118.70 115.79 1trv s GLU 56 Ca 0.45 -0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.53 1trv s GLU 56 Cb -0.00 -1.25 -0.04 0.00 0.26 0.00 0.00 34.13 33.10 1trv s GLU 56 CO 0.26 -0.90 0.18 0.08 -0.54 0.00 0.00 175.26 174.34 1trv s VAL 57 N 2.17 4.82 -0.18 3.70 1.01 -0.32 -1.80 120.40 129.80 1trv s VAL 57 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1trv s VAL 57 Cb -0.16 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1trv s VAL 57 CO -0.27 -0.05 -0.18 -0.62 0.00 0.00 0.00 175.10 173.98 1trv s ASP 58 N -3.01 3.33 0.00 3.32 2.15 -1.26 -2.97 116.67 118.23 1trv s ASP 58 Ca 0.32 -0.60 0.08 0.00 0.43 0.00 0.00 52.55 52.78 1trv s ASP 58 Cb -0.11 -1.52 0.45 0.00 -0.30 0.00 0.00 42.92 41.44 1trv s ASP 58 CO 0.25 0.00 1.04 1.33 -0.17 0.00 0.00 175.17 177.62 1trv n VAL 59 N 4.59 0.43 -0.09 1.11 0.24 -1.14 0.30 118.33 123.78 1trv n VAL 59 Ca -0.20 0.11 -0.17 0.00 -2.04 0.00 0.00 64.34 62.03 1trv n VAL 59 Cb 0.50 -0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 31.82 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 -1.14 1.87 0.07 -1.34 9.92 -1.26 -3.75 116.55 120.91 1trv n ASP 60 Ca 0.05 0.10 0.03 0.00 -0.53 0.00 0.00 54.79 54.44 1trv n ASP 60 Cb 0.05 -0.44 -0.04 0.00 -0.64 0.00 0.00 41.12 40.05 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 -0.40 0.00 -0.35 -2.24 1.82 -1.89 -3.35 116.42 110.01 1trv h ASP 61 Ca -0.45 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 55.93 1trv h ASP 61 Cb 1.50 0.00 -0.22 0.00 0.68 0.00 0.00 39.33 41.29 1trv h ASP 61 CO -0.20 0.44 -0.69 0.00 -1.61 0.00 0.00 179.24 177.19 1trv n ALA 62 N -2.31 4.18 0.13 -0.78 0.00 0.15 -4.75 120.51 117.12 1trv n ALA 62 Ca -0.05 -3.46 0.06 0.00 0.00 0.00 0.00 53.44 49.99 1trv n ALA 62 Cb 0.76 -0.37 0.35 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.86 0.08 -0.09 0.00 -0.00 -1.20 -0.77 117.38 114.54 1trv n GLN 63 Ca 0.29 0.55 -0.14 0.00 -0.00 0.00 0.00 57.00 57.69 1trv n GLN 63 Cb 0.84 -1.94 -0.04 0.00 -0.00 0.00 0.00 30.24 29.09 1trv n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1trv h ASP 64 N 0.00 0.96 0.64 2.61 2.03 -1.90 -2.36 116.42 118.40 1trv h ASP 64 Ca 0.00 -0.51 -0.26 0.00 -0.73 0.00 0.00 57.03 55.53 1trv h ASP 64 Cb 0.34 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1trv h ASP 64 CO 0.00 1.28 -1.19 0.58 -1.03 0.00 0.00 179.24 178.88 1trv h VAL 65 N 0.67 1.51 -0.23 4.15 2.07 -1.28 -3.22 116.25 119.91 1trv h VAL 65 Ca 0.03 -3.03 -0.03 0.00 0.82 0.00 0.00 66.70 64.49 1trv h VAL 65 Cb 1.07 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.71 1trv h VAL 65 CO 0.11 0.88 0.01 0.00 0.02 0.00 0.00 177.57 178.59 1trv h ALA 66 N 0.64 1.60 0.00 1.67 0.00 -1.47 -1.29 119.26 120.42 1trv h ALA 66 Ca -0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1trv h ALA 66 Cb 1.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1trv h ALA 66 CO 0.19 0.30 -0.23 1.03 0.00 0.00 0.00 179.25 180.54 1trv h SER 67 N 0.32 0.00 0.95 0.00 0.87 -1.43 0.41 113.55 114.67 1trv h SER 67 Ca 0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1trv h SER 67 Cb 0.20 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1trv h SER 67 CO 0.00 0.23 -0.46 -0.08 -0.53 0.00 0.00 176.83 176.00 1trv h GLU 68 N 0.00 -1.23 -0.00 2.24 4.57 -1.31 -2.55 114.58 116.30 1trv h GLU 68 Ca -0.00 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1trv h GLU 68 Cb 0.44 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1trv h GLU 68 CO 0.03 -0.82 -0.05 0.00 -1.18 0.00 0.00 179.01 176.99 1trv n ALA 69 N -2.65 2.63 -3.32 2.92 0.00 -1.16 -4.94 120.51 113.99 1trv n ALA 69 Ca -0.16 -0.21 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1trv n ALA 69 Cb 0.50 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.09 -1.68 -2.77 0.00 4.07 0.14 -4.89 120.64 114.43 1trv n GLU 70 Ca 0.16 0.97 -0.42 0.00 -0.06 0.00 0.00 57.16 57.80 1trv n GLU 70 Cb 0.24 -5.19 -0.04 0.00 -0.06 0.00 0.00 31.44 26.39 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1trv s VAL 71 N -3.26 4.21 -0.25 6.31 1.01 -0.82 -4.84 120.40 122.77 1trv s VAL 71 Ca 0.29 0.19 0.13 0.00 0.00 0.00 0.00 61.98 62.58 1trv s VAL 71 Cb -0.06 -4.67 0.55 0.00 0.00 0.00 0.00 36.38 32.21 1trv s VAL 71 CO 0.78 -1.37 1.51 0.29 0.00 0.00 0.00 175.10 176.31 1trv n LYS 72 N 7.97 2.60 -3.21 2.72 4.76 -1.26 -4.85 118.16 126.89 1trv n LYS 72 Ca 0.01 -3.00 -0.00 0.00 -2.87 0.00 0.00 58.31 52.44 1trv n LYS 72 Cb 0.47 -1.89 -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 -3.02 -1.97 0.14 7.82 0.00 -1.26 -5.16 121.76 118.31 1trv s ALA 73 Ca 0.45 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1trv s ALA 73 Cb 0.38 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1trv s ALA 73 CO 0.06 -1.71 0.20 0.95 0.00 0.00 0.00 175.76 175.26 1trv s THR 74 N 2.74 4.96 0.69 0.00 -4.23 -1.26 -4.17 115.64 114.36 1trv s THR 74 Ca 0.11 -0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1trv s THR 74 Cb -0.12 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1trv s THR 74 CO -0.26 -0.05 1.06 -2.16 -0.54 0.00 0.00 174.62 172.67 1trv s PRO 75 N -3.02 2.95 -0.02 3.99 0.04 -1.26 -4.93 135.00 132.75 1trv s PRO 75 Ca 0.33 0.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 1trv s PRO 75 Cb -0.11 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1trv s PRO 75 CO 0.26 -1.04 0.26 0.99 0.04 0.00 0.00 177.00 177.51 1trv s THR 76 N -3.14 0.06 0.03 1.26 2.01 -0.83 -3.27 115.64 111.76 1trv s THR 76 Ca 0.58 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1trv s THR 76 Cb -0.13 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1trv s THR 76 CO 0.54 -0.26 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.66 1trv s PHE 77 N -1.15 1.69 0.02 4.92 0.40 -0.95 -1.11 117.98 121.79 1trv s PHE 77 Ca -0.12 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1trv s PHE 77 Cb -0.05 -1.02 -0.02 0.00 0.51 0.00 0.00 43.02 42.44 1trv s PHE 77 CO 0.03 0.06 -0.16 -0.65 0.70 0.00 0.00 175.22 175.21 1trv s GLN 78 N -1.06 1.14 -0.35 0.44 -0.21 -1.15 -2.25 119.66 116.22 1trv s GLN 78 Ca 0.06 -0.70 -0.08 0.00 0.02 0.00 0.00 55.36 54.67 1trv s GLN 78 Cb -0.08 -1.14 0.04 0.00 1.00 0.00 0.00 33.01 32.82 1trv s GLN 78 CO 0.01 0.30 0.13 -0.06 -2.12 0.00 0.00 175.29 173.56 1trv s PHE 79 N -0.63 3.25 0.09 0.91 0.40 0.12 -1.77 117.98 120.36 1trv s PHE 79 Ca 0.04 -1.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.14 1trv s PHE 79 Cb -0.07 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1trv s PHE 79 CO 0.01 -0.71 -0.05 -0.06 0.70 0.00 0.00 175.22 175.11 1trv s PHE 80 N 1.45 2.86 -0.17 0.36 0.08 0.49 -2.04 117.98 121.01 1trv s PHE 80 Ca -0.01 -0.09 -0.10 0.00 0.12 0.00 0.00 56.93 56.85 1trv s PHE 80 Cb -0.19 -1.49 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 1trv s PHE 80 CO 0.04 0.45 0.42 0.21 -0.10 0.00 0.00 175.22 176.24 1trv s LYS 81 N -2.24 0.41 -1.34 0.44 2.20 -0.80 -1.21 119.74 117.20 1trv s LYS 81 Ca 0.23 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1trv s LYS 81 Cb -0.11 -0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 1trv s LYS 81 CO 0.16 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.63 1trv n LYS 82 N 4.18 -1.36 -2.04 4.03 5.02 -1.26 0.92 118.16 127.64 1trv n LYS 82 Ca -0.23 0.75 -0.02 0.00 -2.02 0.00 0.00 58.31 56.79 1trv n LYS 82 Cb 0.55 -5.02 -0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 -0.29 0.30 2.90 0.72 0.00 -1.26 -5.04 105.19 102.52 1trv n GLY 83 Ca -0.13 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.10 1.14 -0.00 1.61 -1.52 0.26 -5.10 119.66 111.94 1trv s GLN 84 Ca 0.00 -0.16 -0.30 0.00 -1.95 0.00 0.00 55.36 52.95 1trv s GLN 84 Cb -0.00 -1.17 -0.07 0.00 -0.22 0.00 0.00 33.01 31.55 1trv s GLN 84 CO 0.00 -0.15 1.65 0.21 -0.25 0.00 0.00 175.29 176.75 1trv s LYS 85 N 1.29 4.19 -0.00 2.91 2.20 -1.26 -1.91 119.74 127.16 1trv s LYS 85 Ca -0.04 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1trv s LYS 85 Cb -0.14 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 1trv s LYS 85 CO -0.02 -0.79 0.01 1.33 -0.36 0.00 0.00 175.35 175.52 1trv n VAL 86 N 5.16 0.00 -3.53 4.02 0.24 -0.87 -4.98 118.33 118.38 1trv n VAL 86 Ca 0.17 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 1trv n VAL 86 Cb 0.42 0.78 -0.04 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.41 -0.19 7.63 0.00 -1.18 -5.02 107.32 106.69 1trv s GLY 87 Ca 0.00 1.39 -0.31 0.00 0.00 0.00 0.00 44.72 45.80 1trv s GLY 87 CO 0.02 0.64 1.16 -1.83 0.00 0.00 0.00 173.10 173.09 1trv s GLU 88 N -2.22 0.37 -0.08 2.90 -1.05 -1.26 0.14 118.70 117.50 1trv s GLU 88 Ca 0.01 -0.02 -0.31 0.00 -0.15 0.00 0.00 54.97 54.49 1trv s GLU 88 Cb -0.01 0.17 0.12 0.00 -0.44 0.00 0.00 34.13 33.98 1trv s GLU 88 CO -0.03 -0.14 1.02 -0.59 0.95 0.00 0.00 175.26 176.46 1trv s PHE 89 N -1.73 -0.26 0.02 4.83 -0.12 -0.95 -5.00 117.98 114.77 1trv s PHE 89 Ca 0.06 0.17 0.06 0.00 -0.05 0.00 0.00 56.93 57.17 1trv s PHE 89 Cb -0.01 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1trv s PHE 89 CO -0.04 -0.40 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.02 1trv s SER 90 N -2.31 2.03 0.00 1.98 1.04 -1.26 -2.25 113.70 112.94 1trv s SER 90 Ca 0.06 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1trv s SER 90 Cb -0.01 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1trv s SER 90 CO -0.07 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1trv n GLY 91 N 2.15 4.10 1.46 7.32 0.00 -1.20 -4.96 105.19 114.05 1trv n GLY 91 Ca -0.16 -0.43 0.00 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 -1.20 3.88 -3.35 4.61 0.00 -1.26 -4.65 120.51 118.54 1trv n ALA 92 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1trv n ALA 92 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 1.42 5.44 0.22 0.00 2.85 -1.26 -4.85 115.26 119.08 1trv n ASN 93 Ca 0.00 -3.08 0.13 0.00 -0.11 0.00 0.00 54.58 51.52 1trv n ASN 93 Cb 0.50 -1.33 0.75 0.00 1.24 0.00 0.00 39.78 40.94 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 6.46 0.00 -0.10 1.20 2.10 -1.98 -0.34 116.57 123.92 1trv h LYS 94 Ca 0.18 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.73 1trv h LYS 94 Cb 0.84 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 1trv h LYS 94 CO 1.02 0.00 -0.37 0.93 -2.00 0.00 0.00 179.45 179.03 1trv h GLU 95 N 0.00 0.20 -0.17 0.07 5.08 -1.98 -2.64 114.58 115.15 1trv h GLU 95 Ca 0.05 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1trv h GLU 95 Cb 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1trv h GLU 95 CO -0.00 0.55 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.30 1trv h LYS 96 N 0.17 0.24 -0.88 2.33 3.64 -1.46 -2.07 116.57 118.55 1trv h LYS 96 Ca 0.02 -0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.58 1trv h LYS 96 Cb 0.75 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1trv h LYS 96 CO 0.06 0.30 0.60 -0.07 -2.27 0.00 0.00 179.45 178.07 1trv h LEU 97 N 0.24 0.25 0.42 5.20 3.38 -1.49 0.19 115.31 123.50 1trv h LEU 97 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1trv h LEU 97 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1trv h LEU 97 CO 0.01 0.10 -0.20 -0.08 0.09 0.00 0.00 178.44 178.36 1trv h GLU 98 N 0.25 -0.54 -0.21 1.13 4.22 -1.52 0.25 114.58 118.16 1trv h GLU 98 Ca 0.44 0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.97 1trv h GLU 98 Cb 1.34 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1trv h GLU 98 CO -0.12 -0.36 0.15 0.00 -2.18 0.00 0.00 179.01 176.50 1trv h ALA 99 N -1.68 2.11 -0.11 2.92 0.00 -1.55 -2.12 119.26 118.83 1trv h ALA 99 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1trv h ALA 99 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1trv h ALA 99 CO 0.09 -0.16 -0.22 1.15 0.00 0.00 0.00 179.25 180.11 1trv h THR 100 N 0.07 1.38 -0.44 0.00 2.02 -0.47 -2.95 112.91 112.52 1trv h THR 100 Ca 0.10 -1.50 0.02 0.00 0.77 0.00 0.00 66.41 65.80 1trv h THR 100 Cb 0.30 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1trv h THR 100 CO -0.01 0.43 0.29 0.40 0.37 0.00 0.00 175.52 177.01 1trv h ILE 101 N -0.08 1.07 0.00 3.11 2.04 0.13 0.44 117.51 124.22 1trv h ILE 101 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1trv h ILE 101 Cb 0.81 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1trv h ILE 101 CO 0.05 0.10 0.00 -3.20 0.00 0.00 0.00 178.15 175.10 1trv n ASN 102 N -4.48 0.00 -0.04 1.72 2.85 -0.89 -2.06 115.26 112.36 1trv n ASN 102 Ca 0.04 -0.73 -0.08 0.00 -0.11 0.00 0.00 54.58 53.70 1trv n ASN 102 Cb 0.11 -0.04 -0.07 0.00 1.24 0.00 0.00 39.78 41.02 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1trv h GLU 103 N 0.00 -0.05 -0.45 1.20 4.81 0.05 -3.35 114.58 116.79 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 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1trv h GLU 103 CO 0.00 0.46 0.00 1.28 -0.73 0.00 0.00 179.01 180.02 1trv n LEU 104 N -4.74 4.79 0.00 1.64 4.77 -1.22 -5.13 117.00 117.11 1trv n LEU 104 Ca -0.06 -2.88 0.02 0.00 -0.03 0.00 0.00 56.01 53.06 1trv n LEU 104 Cb 0.25 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1trv n LEU 104 CO 0.19 0.67 0.33 0.55 -1.33 0.00 0.00 177.39 177.81