#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 0.26 -0.14 3.17 1.01 -1.26 -4.25 120.40 119.19 1trv s VAL 2 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 1trv s VAL 2 Cb 0.00 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.94 1trv s VAL 2 CO 0.00 0.00 0.29 -0.75 0.00 0.00 0.00 175.10 174.64 1trv s LYS 3 N -3.80 0.18 -0.08 2.72 2.20 -1.18 -5.01 119.74 114.76 1trv s LYS 3 Ca 0.36 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.48 1trv s LYS 3 Cb 0.05 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1trv s LYS 3 CO 0.18 -0.28 1.03 -1.14 -0.36 0.00 0.00 175.35 174.79 1trv s GLN 4 N 2.42 4.43 -0.18 4.03 0.74 -1.26 -1.44 119.66 128.41 1trv s GLN 4 Ca 0.00 1.44 -0.18 0.00 0.05 0.00 0.00 55.36 56.67 1trv s GLN 4 Cb -0.12 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1trv s GLN 4 CO -0.09 -0.30 0.49 0.42 -0.55 0.00 0.00 175.29 175.25 1trv s ILE 5 N 1.91 5.14 -0.09 -2.34 -1.09 -0.75 -4.94 121.20 119.03 1trv s ILE 5 Ca 0.50 0.91 0.15 0.00 -2.23 0.00 0.00 60.65 59.98 1trv s ILE 5 Cb -0.20 -3.82 -0.23 0.00 -1.58 0.00 0.00 42.46 36.64 1trv s ILE 5 CO 0.20 0.22 0.51 -0.62 -1.23 0.00 0.00 174.94 174.02 1trv n GLU 6 N 4.48 0.65 -0.13 2.79 1.02 -1.26 -4.50 120.64 123.69 1trv n GLU 6 Ca -0.06 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1trv n GLU 6 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.94 0.00 0.09 1.62 3.41 -1.26 -4.26 113.62 110.28 1trv n SER 7 Ca -0.20 -0.13 -0.03 0.00 -0.26 0.00 0.00 58.87 58.25 1trv n SER 7 Cb 1.06 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.95 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 -0.26 4.33 3.64 -1.94 -3.08 116.57 119.26 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 0.73 0.10 1.15 -2.27 0.00 0.00 179.45 179.16 1trv h THR 9 N 0.00 0.96 -0.01 1.00 2.02 -2.00 -1.33 112.91 113.55 1trv h THR 9 Ca -0.03 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 1trv h THR 9 Cb 1.61 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1trv h THR 9 CO 0.10 0.04 -0.51 0.00 0.37 0.00 0.00 175.52 175.51 1trv h ALA 10 N 1.15 1.13 0.63 6.16 0.00 -1.97 -2.42 119.26 123.93 1trv h ALA 10 Ca 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1trv h ALA 10 Cb 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1trv h ALA 10 CO -0.10 0.65 -0.30 0.35 0.00 0.00 0.00 179.25 179.85 1trv h PHE 11 N 0.02 -0.78 -0.62 0.00 3.57 -1.20 0.11 116.94 118.03 1trv h PHE 11 Ca -0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1trv h PHE 11 Cb 0.92 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1trv h PHE 11 CO 0.00 -0.47 0.26 -0.56 -2.23 0.00 0.00 178.31 175.31 1trv h GLN 12 N -0.89 0.92 -0.12 1.11 3.07 -1.29 -1.90 115.11 116.01 1trv h GLN 12 Ca -0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.48 1trv h GLN 12 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.06 1trv h GLN 12 CO 0.14 0.78 0.02 0.93 0.09 0.00 0.00 178.83 180.78 1trv h GLU 13 N 0.87 0.17 -0.29 0.06 4.39 -1.31 -1.46 114.58 117.00 1trv h GLU 13 Ca 0.21 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 1trv h GLU 13 Cb 0.19 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1trv h GLU 13 CO -0.02 0.17 -0.06 0.00 -1.16 0.00 0.00 179.01 177.95 1trv h ALA 14 N 1.85 0.40 0.00 3.43 0.00 0.01 -1.92 119.26 123.03 1trv h ALA 14 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 14 CO -0.00 0.20 -0.11 -0.07 0.00 0.00 0.00 179.25 179.27 1trv h LEU 15 N 0.32 0.00 0.08 0.00 3.38 -0.94 -0.79 115.31 117.35 1trv h LEU 15 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1trv h LEU 15 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1trv h LEU 15 CO 0.03 0.11 -0.04 -0.78 0.09 0.00 0.00 178.44 177.84 1trv h ASP 16 N 0.00 -0.09 0.96 -0.43 1.82 -0.67 -3.14 116.42 114.86 1trv h ASP 16 Ca -0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1trv h ASP 16 Cb 0.36 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1trv h ASP 16 CO 0.01 0.47 0.00 0.00 -1.61 0.00 0.00 179.24 178.12 1trv h ALA 17 N 0.08 1.00 0.00 -0.78 0.00 -1.15 -2.88 119.26 115.53 1trv h ALA 17 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1trv h ALA 17 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1trv h ALA 17 CO 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 179.01 1trv h ALA 18 N 2.24 1.55 0.00 0.00 0.00 -1.09 -3.48 119.26 118.49 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 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1trv h ALA 18 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 1trv n GLY 19 N -0.77 1.41 0.00 0.00 0.00 -1.09 -3.79 105.19 100.95 1trv n GLY 19 Ca -0.02 -0.52 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 2.09 0.00 0.00 0.00 173.32 175.41 1trv n ASP 20 N 6.34 0.00 -4.46 1.61 5.68 -1.26 -4.61 116.55 119.84 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.00 1trv n ASP 20 Cb 0.00 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.14 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1trv s LYS 21 N 0.00 0.69 0.78 0.11 1.02 -1.25 -4.43 119.74 116.67 1trv s LYS 21 Ca 0.00 0.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.89 1trv s LYS 21 Cb 0.00 -1.81 0.07 0.00 -0.52 0.00 0.00 37.83 35.57 1trv s LYS 21 CO 0.00 -2.45 1.16 -1.17 -0.92 0.00 0.00 175.35 171.96 1trv s LEU 22 N -6.11 3.14 -0.28 3.17 0.20 -1.26 -4.35 118.68 113.19 1trv s LEU 22 Ca 0.67 2.17 -0.00 0.00 0.69 0.00 0.00 54.13 57.67 1trv s LEU 22 Cb -0.11 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.23 1trv s LEU 22 CO 0.53 -2.39 0.33 -0.69 -0.29 0.00 0.00 176.35 173.84 1trv s VAL 23 N -2.38 -0.49 0.54 1.68 1.01 -0.20 -3.12 120.40 117.44 1trv s VAL 23 Ca 0.69 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 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 0.50 -0.37 0.79 -0.69 0.00 0.00 0.00 175.10 175.34 1trv s VAL 24 N 2.43 3.40 0.02 2.92 1.01 -0.44 -0.26 120.40 129.49 1trv s VAL 24 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1trv s VAL 24 Cb -0.14 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1trv s VAL 24 CO -0.30 -0.25 -0.01 -0.69 0.00 0.00 0.00 175.10 173.85 1trv s VAL 25 N -2.79 0.11 -0.23 2.92 1.01 -0.57 -2.54 120.40 118.31 1trv s VAL 25 Ca 0.53 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1trv s VAL 25 Cb -0.10 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 35.96 1trv s VAL 25 CO 0.41 -0.52 -0.10 -0.62 0.00 0.00 0.00 175.10 174.27 1trv s ASP 26 N -1.56 3.87 -0.50 3.32 -1.08 -1.03 -2.89 116.67 116.81 1trv s ASP 26 Ca -0.14 -1.13 -0.15 0.00 -0.52 0.00 0.00 52.55 50.61 1trv s ASP 26 Cb -0.08 -1.34 0.10 0.00 -1.46 0.00 0.00 42.92 40.14 1trv s ASP 26 CO -0.01 -0.18 0.43 -0.36 0.52 0.00 0.00 175.17 175.57 1trv s PHE 27 N 1.29 3.27 0.24 -5.34 0.40 0.10 -1.31 117.98 116.64 1trv s PHE 27 Ca -0.05 -1.22 0.01 0.00 -0.60 0.00 0.00 56.93 55.08 1trv s PHE 27 Cb -0.18 -3.47 0.01 0.00 0.51 0.00 0.00 43.02 39.89 1trv s PHE 27 CO -0.07 -0.92 0.11 -1.13 0.70 0.00 0.00 175.22 173.91 1trv n SER 28 N 5.18 2.14 -3.67 1.36 3.41 -1.13 -1.59 113.62 119.31 1trv n SER 28 Ca -0.13 -1.92 -0.27 0.00 -0.26 0.00 0.00 58.87 56.29 1trv n SER 28 Cb 0.42 0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.37 0.78 0.03 7.33 0.00 -1.12 -3.06 121.76 123.34 1trv s ALA 29 Ca 0.08 -0.64 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 1trv s ALA 29 Cb -0.01 -1.17 -0.17 0.00 0.00 0.00 0.00 23.12 21.77 1trv s ALA 29 CO 0.05 -1.25 1.42 0.00 0.00 0.00 0.00 175.76 175.99 1trv h THR 30 N 6.47 0.83 -0.42 0.00 1.03 -1.97 -2.17 112.91 116.68 1trv h THR 30 Ca -0.16 -0.45 0.12 0.00 -0.01 0.00 0.00 66.41 65.91 1trv h THR 30 Cb 1.11 1.10 -0.02 0.00 -1.07 0.00 0.00 68.15 69.27 1trv h THR 30 CO 0.34 0.10 0.66 4.11 -0.01 0.00 0.00 175.52 180.71 1trv h TRP 31 N -0.54 0.00 -3.50 0.00 5.08 -1.95 -3.40 115.95 111.64 1trv h TRP 31 Ca -0.03 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.45 1trv h TRP 31 Cb 0.40 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.59 1trv h TRP 31 CO 0.00 0.00 0.07 0.00 -1.28 0.00 0.00 178.44 177.24 1trv n GLY 33 N -2.07 -0.55 0.28 0.00 0.00 -1.26 -4.46 105.19 97.13 1trv n GLY 33 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.14 0.50 -1.76 1.61 0.11 -1.96 -0.37 132.00 129.99 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 0.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1trv h PRO 34 CO 0.00 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.12 1trv n LYS 36 N 1.31 0.00 0.00 0.00 4.81 -0.16 -2.81 118.16 121.32 1trv n LYS 36 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1trv n LYS 36 Cb 0.36 -0.50 0.43 0.00 0.02 0.00 0.00 35.03 35.35 1trv n LYS 36 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1trv n MET 37 N -1.36 0.58 -0.16 1.64 0.00 -1.15 -2.04 117.12 114.62 1trv n MET 37 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 1trv n MET 37 Cb 0.00 -1.39 0.21 0.00 0.00 0.00 0.00 33.22 32.03 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1trv n ILE 38 N -0.89 0.43 0.09 3.17 5.41 -1.26 -4.33 119.36 121.98 1trv n ILE 38 Ca 0.11 -0.70 -0.03 0.00 1.00 0.00 0.00 62.75 63.12 1trv n ILE 38 Cb 0.05 1.04 -0.06 0.00 -0.71 0.00 0.00 39.64 39.95 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 4.47 0.00 0.00 0.38 2.10 -1.76 -3.15 116.57 118.61 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 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1trv h LYS 39 CO 0.00 0.79 0.00 -0.35 -2.00 0.00 0.00 179.45 177.89 1trv n PRO 40 N -3.29 0.15 -0.07 0.07 -0.05 -1.26 -1.15 135.00 129.40 1trv n PRO 40 Ca 0.00 0.43 -0.05 0.00 -0.05 0.00 0.00 63.50 63.83 1trv n PRO 40 Cb 0.86 -1.82 -0.03 0.00 -0.05 0.00 0.00 33.50 32.47 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 -0.21 0.54 -1.00 -1.83 -3.13 116.94 111.31 1trv h PHE 41 Ca 0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1trv h PHE 41 Cb 0.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1trv h PHE 41 CO 0.00 0.21 0.13 0.35 -1.61 0.00 0.00 178.31 177.38 1trv h PHE 42 N -1.00 0.24 0.00 -0.55 3.57 -1.54 -2.16 116.94 115.50 1trv h PHE 42 Ca -0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1trv h PHE 42 Cb 0.45 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1trv h PHE 42 CO -0.09 0.14 -0.09 1.25 -2.23 0.00 0.00 178.31 177.29 1trv h HIS 43 N 0.26 0.00 0.00 0.41 2.76 -1.33 -1.40 115.15 115.85 1trv h HIS 43 Ca 0.08 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1trv h HIS 43 Cb -0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1trv h HIS 43 CO -0.07 0.09 -0.34 0.66 -1.30 0.00 0.00 177.93 176.97 1trv h SER 44 N 0.00 0.00 -0.59 3.26 4.64 -1.33 -2.94 113.55 116.59 1trv h SER 44 Ca -0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1trv h SER 44 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1trv h SER 44 CO 0.01 0.34 0.34 -0.07 -0.87 0.00 0.00 176.83 176.58 1trv h LEU 45 N 0.00 0.53 -1.80 5.97 3.38 -1.08 -1.31 115.31 121.00 1trv h LEU 45 Ca -0.00 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.31 1trv h LEU 45 Cb 0.69 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1trv h LEU 45 CO 0.04 0.36 0.81 0.28 0.09 0.00 0.00 178.44 180.03 1trv h SER 46 N 0.66 0.13 0.97 -0.43 0.02 -1.60 0.76 113.55 114.06 1trv h SER 46 Ca 0.25 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1trv h SER 46 Cb 0.08 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1trv h SER 46 CO -0.13 0.01 -1.09 -0.33 -1.14 0.00 0.00 176.83 174.16 1trv h GLU 47 N 0.11 0.00 0.00 3.45 4.39 -1.40 -3.30 114.58 117.82 1trv h GLU 47 Ca 0.59 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.16 1trv h GLU 47 Cb 2.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.72 1trv h GLU 47 CO -0.11 0.24 -1.00 -0.22 -1.16 0.00 0.00 179.01 176.76 1trv h LYS 48 N 0.00 0.00 -2.54 2.33 3.64 0.75 -3.40 116.57 117.34 1trv h LYS 48 Ca -0.09 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.70 1trv h LYS 48 Cb 1.37 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.80 1trv h LYS 48 CO 0.04 0.35 -0.82 0.66 -2.27 0.00 0.00 179.45 177.40 1trv n TYR 49 N -3.01 0.97 0.86 1.91 4.01 0.16 -4.92 117.16 117.14 1trv n TYR 49 Ca -0.04 -3.76 0.07 0.00 -0.16 0.00 0.00 57.90 54.01 1trv n TYR 49 Cb 0.77 -0.19 0.40 0.00 -0.31 0.00 0.00 39.34 40.02 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 2.17 0.00 -1.42 7.72 3.41 -1.24 -1.68 113.62 122.58 1trv n SER 50 Ca 0.26 -0.43 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1trv n SER 50 Cb 0.44 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.00 4.15 -4.15 4.04 5.15 -1.26 -4.91 115.26 117.28 1trv n ASN 51 Ca 0.10 -2.15 -0.19 0.00 -0.60 0.00 0.00 54.58 51.75 1trv n ASN 51 Cb 0.05 -0.52 -0.12 0.00 -0.53 0.00 0.00 39.78 38.66 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 -1.30 1.08 -0.22 3.44 1.01 -0.68 -4.69 120.40 119.03 1trv s VAL 52 Ca 0.49 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1trv s VAL 52 Cb 0.28 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1trv s VAL 52 CO 0.30 -0.14 0.18 -0.63 0.00 0.00 0.00 175.10 174.81 1trv s ILE 53 N -1.10 5.36 -0.13 2.22 -1.09 -1.18 -4.95 121.20 120.32 1trv s ILE 53 Ca -0.01 0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 1trv s ILE 53 Cb -0.09 -3.52 -0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1trv s ILE 53 CO 0.02 0.37 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.55 1trv s PHE 54 N 0.83 2.71 0.42 3.97 0.08 -1.26 -1.33 117.98 123.41 1trv s PHE 54 Ca 0.09 -1.04 0.08 0.00 0.12 0.00 0.00 56.93 56.18 1trv s PHE 54 Cb -0.13 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1trv s PHE 54 CO 0.03 -0.44 0.37 -0.51 -0.10 0.00 0.00 175.22 174.57 1trv s LEU 55 N 0.62 3.36 -0.24 -0.37 1.02 -1.05 -3.11 118.68 118.90 1trv s LEU 55 Ca -0.10 -0.78 -0.04 0.00 0.02 0.00 0.00 54.13 53.23 1trv s LEU 55 Cb -0.16 -2.00 0.09 0.00 0.02 0.00 0.00 46.19 44.14 1trv s LEU 55 CO 0.03 -0.67 0.15 -0.70 0.02 0.00 0.00 176.35 175.18 1trv s GLU 56 N -4.13 0.16 0.01 1.70 2.12 -0.52 -2.47 118.70 115.57 1trv s GLU 56 Ca 0.48 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.60 1trv s GLU 56 Cb -0.03 -1.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.99 1trv s GLU 56 CO 0.28 -0.84 0.06 0.08 -0.54 0.00 0.00 175.26 174.29 1trv s VAL 57 N 2.18 4.54 -0.19 3.70 1.01 -0.42 -1.81 120.40 129.40 1trv s VAL 57 Ca 0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1trv s VAL 57 Cb -0.16 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1trv s VAL 57 CO -0.23 0.33 -0.07 -0.62 0.00 0.00 0.00 175.10 174.51 1trv s ASP 58 N -1.76 4.16 0.00 3.32 2.15 -1.26 -2.84 116.67 120.44 1trv s ASP 58 Ca 0.23 -0.39 0.08 0.00 0.43 0.00 0.00 52.55 52.90 1trv s ASP 58 Cb -0.12 -1.69 0.42 0.00 -0.30 0.00 0.00 42.92 41.23 1trv s ASP 58 CO 0.14 0.03 1.06 1.33 -0.17 0.00 0.00 175.17 177.56 1trv n VAL 59 N 4.46 0.59 -0.10 1.11 0.24 -1.17 0.16 118.33 123.62 1trv n VAL 59 Ca -0.18 0.15 -0.18 0.00 -2.04 0.00 0.00 64.34 62.08 1trv n VAL 59 Cb 0.51 -1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 31.78 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 -1.20 1.93 0.04 -1.34 9.92 -1.26 -3.71 116.55 120.93 1trv n ASP 60 Ca 0.04 0.09 -0.04 0.00 -0.53 0.00 0.00 54.79 54.36 1trv n ASP 60 Cb 0.05 -0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 39.97 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 0.00 -0.50 -2.24 1.82 -1.90 -3.35 116.42 109.85 1trv h ASP 61 Ca -0.48 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 55.80 1trv h ASP 61 Cb 1.55 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 41.29 1trv h ASP 61 CO -0.20 0.78 -0.61 0.00 -1.61 0.00 0.00 179.24 177.59 1trv n ALA 62 N -2.41 4.60 0.21 -0.78 0.00 0.12 -4.76 120.51 117.49 1trv n ALA 62 Ca -0.08 -3.59 0.10 0.00 0.00 0.00 0.00 53.44 49.87 1trv n ALA 62 Cb 0.91 -0.41 0.56 0.00 0.00 0.00 0.00 19.45 20.51 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 1.73 0.00 -0.19 0.00 3.07 -1.63 0.12 115.11 118.20 1trv h GLN 63 Ca 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.83 1trv h GLN 63 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.90 1trv h GLN 63 CO 0.53 0.00 -0.54 0.38 0.09 0.00 0.00 178.83 179.28 1trv h ASP 64 N 0.00 0.63 1.03 0.06 2.03 -1.90 -2.92 116.42 115.35 1trv h ASP 64 Ca 0.00 -0.34 -0.19 0.00 -0.73 0.00 0.00 57.03 55.77 1trv h ASP 64 Cb 0.43 -0.18 -0.03 0.00 -0.83 0.00 0.00 39.33 38.72 1trv h ASP 64 CO 0.00 1.05 -0.91 0.58 -1.03 0.00 0.00 179.24 178.93 1trv h VAL 65 N 0.44 1.60 -0.54 4.15 2.07 -1.08 -3.22 116.25 119.67 1trv h VAL 65 Ca 0.01 -3.19 -0.03 0.00 0.82 0.00 0.00 66.70 64.31 1trv h VAL 65 Cb 1.09 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 1trv h VAL 65 CO 0.10 0.90 0.23 0.00 0.02 0.00 0.00 177.57 178.82 1trv h ALA 66 N 1.09 1.38 -0.17 1.67 0.00 -1.39 -1.60 119.26 120.23 1trv h ALA 66 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1trv h ALA 66 Cb 1.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1trv h ALA 66 CO 0.12 0.47 -0.16 1.03 0.00 0.00 0.00 179.25 180.71 1trv h SER 67 N 0.77 0.27 0.71 0.00 0.87 -1.52 0.88 113.55 115.53 1trv h SER 67 Ca 0.19 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1trv h SER 67 Cb 0.14 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1trv h SER 67 CO -0.02 0.45 -0.42 -0.08 -0.53 0.00 0.00 176.83 176.23 1trv h GLU 68 N 0.26 -1.02 -0.00 2.24 4.81 -1.36 -2.27 114.58 117.23 1trv h GLU 68 Ca 0.05 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1trv h GLU 68 Cb 0.45 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1trv h GLU 68 CO 0.03 -0.68 -0.09 0.00 -0.73 0.00 0.00 179.01 177.54 1trv n ALA 69 N -2.65 2.63 -3.30 2.92 0.00 -1.16 -4.95 120.51 114.01 1trv n ALA 69 Ca -0.14 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1trv n ALA 69 Cb 0.45 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.28 -1.60 -2.82 0.00 4.07 0.30 -4.90 120.64 114.41 1trv n GLU 70 Ca 0.11 1.05 -0.43 0.00 -0.06 0.00 0.00 57.16 57.83 1trv n GLU 70 Cb 0.29 -5.13 -0.04 0.00 -0.06 0.00 0.00 31.44 26.50 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 -3.20 4.48 -0.41 6.31 1.01 -0.82 -4.86 120.40 122.91 1trv s VAL 71 Ca 0.22 0.73 0.15 0.00 0.00 0.00 0.00 61.98 63.08 1trv s VAL 71 Cb -0.05 -4.43 0.47 0.00 0.00 0.00 0.00 36.38 32.37 1trv s VAL 71 CO 0.78 -0.84 1.38 0.29 0.00 0.00 0.00 175.10 176.71 1trv n LYS 72 N 7.16 2.95 -3.20 2.72 5.02 -1.26 -4.87 118.16 126.68 1trv n LYS 72 Ca 0.06 -2.61 0.01 0.00 -2.02 0.00 0.00 58.31 53.75 1trv n LYS 72 Cb 0.48 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.27 -2.02 0.14 7.82 0.00 -1.26 -5.16 121.76 119.02 1trv s ALA 73 Ca 0.37 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1trv s ALA 73 Cb 0.28 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1trv s ALA 73 CO 0.11 -1.55 0.20 0.95 0.00 0.00 0.00 175.76 175.47 1trv s THR 74 N 2.77 4.90 0.71 0.00 -4.23 -1.26 -4.19 115.64 114.34 1trv s THR 74 Ca 0.15 -0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1trv s THR 74 Cb -0.13 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.23 1trv s THR 74 CO -0.23 -0.06 1.07 -2.16 -0.54 0.00 0.00 174.62 172.70 1trv s PRO 75 N -3.03 2.86 -0.04 3.99 0.04 -1.26 -4.95 135.00 132.61 1trv s PRO 75 Ca 0.33 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1trv s PRO 75 Cb -0.11 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.26 -1.10 0.26 0.99 0.04 0.00 0.00 177.00 177.45 1trv s THR 76 N -3.15 0.04 0.04 1.26 2.01 -0.62 -3.31 115.64 111.91 1trv s THR 76 Ca 0.58 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.32 1trv s THR 76 Cb -0.13 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 1trv s THR 76 CO 0.54 -0.19 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.69 1trv s PHE 77 N -0.78 2.03 0.02 4.92 0.40 -0.92 -0.72 117.98 122.92 1trv s PHE 77 Ca -0.09 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1trv s PHE 77 Cb -0.05 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1trv s PHE 77 CO 0.02 0.09 -0.16 -0.65 0.70 0.00 0.00 175.22 175.23 1trv s GLN 78 N -1.14 1.17 -0.36 0.44 -0.21 -1.14 -2.13 119.66 116.29 1trv s GLN 78 Ca 0.09 -0.69 -0.08 0.00 0.02 0.00 0.00 55.36 54.70 1trv s GLN 78 Cb -0.09 -1.17 0.04 0.00 1.00 0.00 0.00 33.01 32.78 1trv s GLN 78 CO 0.02 0.31 0.16 -0.06 -2.12 0.00 0.00 175.29 173.59 1trv s PHE 79 N -0.60 3.26 0.13 0.91 0.40 0.11 -1.51 117.98 120.68 1trv s PHE 79 Ca 0.05 -1.28 0.06 0.00 -0.60 0.00 0.00 56.93 55.16 1trv s PHE 79 Cb -0.07 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1trv s PHE 79 CO 0.00 -0.71 0.01 -0.06 0.70 0.00 0.00 175.22 175.16 1trv s PHE 80 N 1.46 2.94 -0.17 0.36 0.08 0.65 -1.81 117.98 121.48 1trv s PHE 80 Ca 0.00 -0.08 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 1trv s PHE 80 Cb -0.20 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.85 1trv s PHE 80 CO 0.04 0.50 0.42 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.66 0.42 -1.34 0.44 2.20 -0.59 -1.03 119.74 117.17 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 -0.10 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1trv s LYS 81 CO 0.19 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.66 1trv n LYS 82 N 4.09 -1.28 -1.91 4.03 5.02 -1.26 0.96 118.16 127.81 1trv n LYS 82 Ca -0.22 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1trv n LYS 82 Cb 0.56 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 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 -0.24 0.41 2.89 0.72 0.00 -1.26 -5.05 105.19 102.67 1trv n GLY 83 Ca -0.13 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.85 0.99 0.06 1.61 -1.52 0.27 -5.11 119.66 112.11 1trv s GLN 84 Ca 0.00 -0.13 -0.31 0.00 -1.95 0.00 0.00 55.36 52.98 1trv s GLN 84 Cb 0.00 -1.02 -0.08 0.00 -0.22 0.00 0.00 33.01 31.69 1trv s GLN 84 CO 0.00 -0.12 1.60 0.21 -0.25 0.00 0.00 175.29 176.72 1trv s LYS 85 N 1.15 4.22 0.00 2.91 2.20 -1.26 -1.54 119.74 127.41 1trv s LYS 85 Ca -0.07 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1trv s LYS 85 Cb -0.14 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1trv s LYS 85 CO -0.01 -0.70 0.00 1.33 -0.36 0.00 0.00 175.35 175.61 1trv n VAL 86 N 4.69 0.00 -3.60 4.02 0.24 -0.75 -4.96 118.33 117.98 1trv n VAL 86 Ca 0.15 -0.34 -0.04 0.00 -2.04 0.00 0.00 64.34 62.06 1trv n VAL 86 Cb 0.41 0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.30 -0.27 -0.13 7.63 0.00 -1.18 -5.02 107.32 107.05 1trv s GLY 87 Ca 0.00 1.67 -0.33 0.00 0.00 0.00 0.00 44.72 46.06 1trv s GLY 87 CO 0.00 0.58 1.14 -1.83 0.00 0.00 0.00 173.10 172.99 1trv s GLU 88 N -2.31 0.44 -0.05 2.90 -1.05 -1.26 0.08 118.70 117.45 1trv s GLU 88 Ca 0.09 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 1trv s GLU 88 Cb -0.01 0.20 0.11 0.00 -0.44 0.00 0.00 34.13 33.99 1trv s GLU 88 CO -0.05 -0.19 1.02 -0.59 0.95 0.00 0.00 175.26 176.40 1trv s PHE 89 N -2.59 -0.24 0.04 4.83 -0.12 -0.91 -5.00 117.98 114.00 1trv s PHE 89 Ca 0.09 0.11 0.06 0.00 -0.05 0.00 0.00 56.93 57.15 1trv s PHE 89 Cb -0.01 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1trv s PHE 89 CO -0.05 -0.45 -0.18 -1.54 -0.05 0.00 0.00 175.22 172.95 1trv s SER 90 N -2.47 2.15 0.00 1.98 1.04 -1.26 -2.17 113.70 112.97 1trv s SER 90 Ca 0.08 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1trv s SER 90 Cb -0.01 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1trv s SER 90 CO -0.06 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1trv n GLY 91 N 1.96 4.32 1.55 7.32 0.00 -1.21 -4.96 105.19 114.17 1trv n GLY 91 Ca -0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.35 4.21 -3.38 4.61 0.00 -1.26 -4.69 120.51 118.65 1trv n ALA 92 Ca 0.00 -0.18 -0.45 0.00 0.00 0.00 0.00 53.44 52.81 1trv n ALA 92 Cb 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 1.96 6.86 0.49 0.00 3.04 -1.26 -4.87 114.94 121.17 1trv s ASN 93 Ca 0.06 -3.17 0.14 0.00 0.04 0.00 0.00 52.86 49.93 1trv s ASN 93 Cb 0.03 -2.17 1.17 0.00 -1.54 0.00 0.00 41.25 38.74 1trv s ASN 93 CO -0.00 -0.41 2.12 0.07 -3.04 0.00 0.00 177.10 175.84 1trv h LYS 94 N 7.12 0.11 -0.06 0.43 -0.00 -1.98 -1.12 116.57 121.06 1trv h LYS 94 Ca 0.14 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.65 60.69 1trv h LYS 94 Cb 0.95 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.14 1trv h LYS 94 CO 0.87 0.08 -0.36 0.93 -0.00 0.00 0.00 179.45 180.98 1trv h GLU 95 N 0.11 0.12 -0.34 0.07 5.08 -1.99 -2.62 114.58 115.02 1trv h GLU 95 Ca 0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1trv h GLU 95 Cb 0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1trv h GLU 95 CO -0.00 0.47 0.07 -0.22 -1.00 0.00 0.00 179.01 178.33 1trv h LYS 96 N 0.11 0.49 -0.91 2.33 3.64 -1.61 -1.98 116.57 118.63 1trv h LYS 96 Ca 0.01 -0.08 0.21 0.00 -1.27 0.00 0.00 60.65 59.53 1trv h LYS 96 Cb 0.69 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1trv h LYS 96 CO 0.05 0.46 0.61 -0.07 -2.27 0.00 0.00 179.45 178.23 1trv h LEU 97 N 0.48 0.39 0.48 5.20 3.38 -1.48 0.22 115.31 123.98 1trv h LEU 97 Ca 0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1trv h LEU 97 Cb 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1trv h LEU 97 CO -0.00 0.15 -0.23 -0.08 0.09 0.00 0.00 178.44 178.37 1trv h GLU 98 N 0.39 -0.62 -0.17 1.13 4.81 -1.49 0.20 114.58 118.82 1trv h GLU 98 Ca 0.48 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.80 1trv h GLU 98 Cb 1.23 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1trv h GLU 98 CO -0.18 -0.41 0.15 0.00 -0.73 0.00 0.00 179.01 177.84 1trv h ALA 99 N -1.65 1.97 -0.11 2.92 0.00 -1.52 -1.75 119.26 119.12 1trv h ALA 99 Ca -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1trv h ALA 99 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1trv h ALA 99 CO 0.11 -0.24 -0.31 1.15 0.00 0.00 0.00 179.25 179.96 1trv h THR 100 N 0.00 1.39 -0.59 0.00 2.02 -0.29 -2.98 112.91 112.46 1trv h THR 100 Ca 0.08 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.67 1trv h THR 100 Cb 0.38 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1trv h THR 100 CO -0.00 0.48 0.39 0.40 0.37 0.00 0.00 175.52 177.15 1trv h ILE 101 N -0.03 1.08 0.00 3.11 2.04 0.29 0.43 117.51 124.43 1trv h ILE 101 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1trv h ILE 101 Cb 0.92 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 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 -0.99 -2.13 115.26 114.50 1trv n ASN 102 Ca 0.07 -0.80 -0.08 0.00 -0.60 0.00 0.00 54.58 53.17 1trv n ASN 102 Cb 0.14 -0.01 -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 -0.04 -0.46 1.20 4.57 0.02 -3.35 114.58 116.52 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1trv h GLU 103 Cb 0.01 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1trv h GLU 103 CO 0.00 0.45 0.00 1.28 -1.18 0.00 0.00 179.01 179.56 1trv n LEU 104 N -4.74 4.80 0.00 1.64 4.77 -1.23 -5.13 117.00 117.12 1trv n LEU 104 Ca -0.06 -2.86 0.02 0.00 -0.03 0.00 0.00 56.01 53.08 1trv n LEU 104 Cb 0.25 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1trv n LEU 104 CO 0.19 0.68 0.34 0.55 -1.33 0.00 0.00 177.39 177.81