#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 0.05 -0.16 2.03 1.01 -1.26 -4.10 120.40 117.97 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 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.94 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 -4.05 0.29 -0.04 2.72 2.20 -1.20 -5.02 119.74 114.64 1trv s LYS 3 Ca 0.39 0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 56.55 1trv s LYS 3 Cb 0.06 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1trv s LYS 3 CO 0.14 -0.23 0.97 -1.14 -0.36 0.00 0.00 175.35 174.73 1trv s GLN 4 N 2.10 4.50 -0.12 4.03 0.74 -1.26 -1.28 119.66 128.36 1trv s GLN 4 Ca -0.04 1.37 -0.17 0.00 0.05 0.00 0.00 55.36 56.56 1trv s GLN 4 Cb -0.11 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1trv s GLN 4 CO -0.11 -0.13 0.45 0.42 -0.55 0.00 0.00 175.29 175.36 1trv s ILE 5 N 1.34 5.21 -0.11 -2.34 -1.09 -0.52 -4.94 121.20 118.75 1trv s ILE 5 Ca 0.50 0.88 0.11 0.00 -2.23 0.00 0.00 60.65 59.91 1trv s ILE 5 Cb -0.20 -3.78 -0.24 0.00 -1.58 0.00 0.00 42.46 36.66 1trv s ILE 5 CO 0.24 0.34 0.41 -0.62 -1.23 0.00 0.00 174.94 174.07 1trv n GLU 6 N 3.63 0.66 -0.03 2.79 1.02 -1.26 -4.45 120.64 123.01 1trv n GLU 6 Ca -0.08 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1trv n GLU 6 Cb 0.52 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.03 0.00 0.10 1.62 3.41 -1.26 -4.02 113.62 110.44 1trv n SER 7 Ca -0.25 -0.02 -0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1trv n SER 7 Cb 1.08 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.15 4.33 3.64 -1.93 -3.11 116.57 119.35 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 0.57 0.03 1.15 -2.27 0.00 0.00 179.45 178.93 1trv h THR 9 N 0.00 0.94 -0.15 1.00 2.02 -2.00 -1.03 112.91 113.69 1trv h THR 9 Ca -0.03 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1trv h THR 9 Cb 1.51 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1trv h THR 9 CO 0.08 0.02 -0.38 0.00 0.37 0.00 0.00 175.52 175.60 1trv h ALA 10 N 1.10 1.07 -0.58 6.16 0.00 -1.97 -2.76 119.26 122.27 1trv h ALA 10 Ca 0.06 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1trv h ALA 10 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1trv h ALA 10 CO -0.08 0.59 0.37 0.35 0.00 0.00 0.00 179.25 180.48 1trv h PHE 11 N 0.28 0.71 0.37 0.00 3.57 -1.29 0.31 116.94 120.88 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 0.80 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1trv h PHE 11 CO 0.02 0.43 -0.18 0.37 -2.23 0.00 0.00 178.31 176.72 1trv h GLN 12 N 0.76 -0.48 0.00 1.11 4.15 -1.03 -2.34 115.11 117.27 1trv h GLN 12 Ca 0.22 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 1trv h GLN 12 Cb -0.05 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1trv h GLN 12 CO -0.06 -0.21 -0.01 0.93 -1.93 0.00 0.00 178.83 177.55 1trv h GLU 13 N -0.70 0.00 -0.15 1.69 5.08 -1.31 -1.98 114.58 117.21 1trv h GLU 13 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1trv h GLU 13 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1trv h GLU 13 CO 0.08 0.01 -0.05 0.00 -1.00 0.00 0.00 179.01 178.05 1trv h ALA 14 N 1.99 0.21 0.00 3.43 0.00 0.08 -2.41 119.26 122.56 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 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1trv h ALA 14 CO 0.00 -0.02 -0.09 -0.07 0.00 0.00 0.00 179.25 179.07 1trv h LEU 15 N -0.01 0.00 -0.29 0.00 3.38 -0.87 -2.33 115.31 115.20 1trv h LEU 15 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 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 0.02 0.09 -0.50 -0.78 0.09 0.00 0.00 178.44 177.36 1trv h ASP 16 N 0.00 0.94 0.84 -0.43 3.58 -1.02 -2.97 116.42 117.37 1trv h ASP 16 Ca -0.00 -0.53 -0.08 0.00 0.42 0.00 0.00 57.03 56.85 1trv h ASP 16 Cb 0.37 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1trv h ASP 16 CO 0.01 1.29 -0.37 0.00 -2.88 0.00 0.00 179.24 177.30 1trv h ALA 17 N 0.68 1.00 -0.57 -0.78 0.00 -0.96 -2.99 119.26 115.64 1trv h ALA 17 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1trv h ALA 17 Cb 1.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1trv h ALA 17 CO 0.11 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.90 1trv h ALA 18 N 1.63 1.08 0.00 0.00 0.00 -1.30 -3.47 119.26 117.20 1trv h ALA 18 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 18 Cb 0.89 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1trv h ALA 18 CO 0.05 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1trv n GLY 19 N -0.70 2.10 0.00 0.00 0.00 -1.13 -3.12 105.19 102.34 1trv n GLY 19 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1trv n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1trv n ASP 20 N 6.13 0.00 -4.81 1.61 -0.08 -1.26 -4.51 116.55 113.63 1trv n ASP 20 Ca 0.00 -1.00 -0.30 0.00 -1.51 0.00 0.00 54.79 51.98 1trv n ASP 20 Cb 0.00 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.55 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1trv s LYS 21 N 0.00 2.00 0.83 -0.67 1.02 -1.18 -4.65 119.74 117.09 1trv s LYS 21 Ca 0.00 0.57 -0.12 0.00 0.02 0.00 0.00 55.97 56.44 1trv s LYS 21 Cb 0.00 -1.91 0.09 0.00 -0.52 0.00 0.00 37.83 35.49 1trv s LYS 21 CO 0.00 -1.66 1.17 -1.17 -0.92 0.00 0.00 175.35 172.76 1trv s LEU 22 N -5.78 3.05 -0.29 3.17 0.20 -1.26 -4.52 118.68 113.25 1trv s LEU 22 Ca 0.61 2.22 0.00 0.00 0.69 0.00 0.00 54.13 57.65 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 0.54 -2.66 0.32 -0.69 -0.29 0.00 0.00 176.35 173.57 1trv s VAL 23 N -2.41 -0.47 0.54 1.68 1.01 -0.80 -3.00 120.40 116.95 1trv s VAL 23 Ca 0.69 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1trv s VAL 23 Cb -0.25 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1trv s VAL 23 CO 0.53 -0.41 0.80 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.41 3.48 -0.01 2.92 1.01 -0.51 -0.81 120.40 128.90 1trv s VAL 24 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1trv s VAL 24 Cb -0.14 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1trv s VAL 24 CO -0.31 -0.29 0.05 -0.69 0.00 0.00 0.00 175.10 173.85 1trv s VAL 25 N -2.80 0.04 -0.29 2.92 1.01 -0.84 -2.23 120.40 118.22 1trv s VAL 25 Ca 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1trv s VAL 25 Cb -0.10 -0.19 0.05 0.00 0.00 0.00 0.00 36.38 36.14 1trv s VAL 25 CO 0.41 -0.19 -0.03 -0.62 0.00 0.00 0.00 175.10 174.67 1trv s ASP 26 N -0.59 4.74 -0.58 3.32 -1.08 -0.99 -2.91 116.67 118.58 1trv s ASP 26 Ca -0.07 -1.24 -0.15 0.00 -0.52 0.00 0.00 52.55 50.57 1trv s ASP 26 Cb -0.04 -1.68 0.14 0.00 -1.46 0.00 0.00 42.92 39.88 1trv s ASP 26 CO 0.00 -0.23 0.53 -0.36 0.52 0.00 0.00 175.17 175.63 1trv s PHE 27 N 1.24 3.34 0.02 -5.34 0.40 -0.35 -1.23 117.98 116.05 1trv s PHE 27 Ca -0.05 -1.43 0.00 0.00 -0.60 0.00 0.00 56.93 54.85 1trv s PHE 27 Cb -0.19 -3.79 0.00 0.00 0.51 0.00 0.00 43.02 39.55 1trv s PHE 27 CO -0.02 -1.01 0.01 0.43 0.70 0.00 0.00 175.22 175.32 1trv n SER 28 N 5.03 1.55 -3.66 1.36 7.64 -1.14 -1.84 113.62 122.56 1trv n SER 28 Ca -0.09 -1.06 -0.27 0.00 1.01 0.00 0.00 58.87 58.45 1trv n SER 28 Cb 0.41 0.00 -0.16 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 -2.02 0.77 0.02 -0.43 0.00 -1.09 -3.05 121.76 115.96 1trv s ALA 29 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 1trv s ALA 29 Cb -0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 23.12 21.76 1trv s ALA 29 CO 0.00 -1.27 1.40 0.00 0.00 0.00 0.00 175.76 175.89 1trv h THR 30 N 6.46 1.05 -0.40 0.00 1.03 -1.96 -2.36 112.91 116.73 1trv h THR 30 Ca -0.16 -0.63 0.12 0.00 -0.01 0.00 0.00 66.41 65.72 1trv h THR 30 Cb 1.11 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 69.63 1trv h THR 30 CO 0.34 0.15 0.58 4.11 -0.01 0.00 0.00 175.52 180.69 1trv h TRP 31 N -0.44 0.00 -3.56 0.00 5.08 -1.95 -3.40 115.95 111.68 1trv h TRP 31 Ca -0.01 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.45 1trv h TRP 31 Cb 0.36 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.52 1trv h TRP 31 CO 0.02 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.21 1trv n GLY 33 N -0.96 -0.65 0.16 0.00 0.00 -1.26 -4.27 105.19 98.21 1trv n GLY 33 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.30 0.12 -1.60 1.61 0.11 -1.96 -0.54 132.00 129.43 1trv h PRO 34 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1trv h PRO 34 Cb 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1trv h PRO 34 CO 0.00 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 177.87 1trv n LYS 36 N 1.07 0.10 0.00 0.00 4.81 -0.23 -2.66 118.16 121.24 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 0.34 -0.49 0.51 0.00 0.02 0.00 0.00 35.03 35.41 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 -0.49 0.50 -0.33 1.64 2.81 -1.09 -2.04 117.12 118.12 1trv n MET 37 Ca 0.00 0.02 0.11 0.00 -1.81 0.00 0.00 57.70 56.02 1trv n MET 37 Cb 0.00 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.05 0.88 0.09 2.02 5.41 -1.26 -4.30 119.36 121.15 1trv n ILE 38 Ca 0.12 -0.90 -0.03 0.00 1.00 0.00 0.00 62.75 62.95 1trv n ILE 38 Cb 0.07 0.50 -0.05 0.00 -0.71 0.00 0.00 39.64 39.44 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 4.01 0.00 0.00 0.38 2.10 -1.77 -3.15 116.57 118.15 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 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 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 -3.31 0.07 -0.06 0.07 -0.05 -1.26 -1.91 135.00 128.55 1trv n PRO 40 Ca 0.01 0.27 -0.03 0.00 -0.05 0.00 0.00 63.50 63.70 1trv n PRO 40 Cb 0.85 -1.62 -0.01 0.00 -0.05 0.00 0.00 33.50 32.67 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 0.07 0.54 -1.00 -1.84 -3.23 116.94 111.48 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 0.33 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1trv h PHE 41 CO 0.00 0.00 -0.14 0.35 -1.61 0.00 0.00 178.31 176.91 1trv h PHE 42 N -1.00 -0.37 0.00 -0.55 3.57 -1.57 0.89 116.94 117.92 1trv h PHE 42 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 42 Cb 0.37 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1trv h PHE 42 CO -0.16 -0.21 0.02 1.58 -2.23 0.00 0.00 178.31 177.31 1trv n HIS 43 N -5.27 0.47 -0.11 0.41 -0.00 -0.80 -1.06 115.22 108.86 1trv n HIS 43 Ca -0.06 0.25 -0.14 0.00 0.46 0.00 0.00 57.72 58.23 1trv n HIS 43 Cb 0.19 -0.88 -0.03 0.00 -0.12 0.00 0.00 29.99 29.15 1trv n HIS 43 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1trv h SER 44 N 0.00 1.00 -0.17 0.26 4.64 -0.83 -2.74 113.55 115.71 1trv h SER 44 Ca 0.00 -0.48 0.05 0.00 -0.47 0.00 0.00 61.79 60.89 1trv h SER 44 Cb 0.03 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1trv h SER 44 CO 0.00 1.28 0.16 -0.07 -0.87 0.00 0.00 176.83 177.34 1trv h LEU 45 N 0.75 0.00 -0.56 5.97 3.38 -1.08 -2.27 115.31 121.49 1trv h LEU 45 Ca 0.05 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1trv h LEU 45 Cb 1.03 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1trv h LEU 45 CO 0.10 0.00 0.03 0.28 0.09 0.00 0.00 178.44 178.94 1trv h SER 46 N 0.00 -0.18 0.90 -0.43 0.02 -1.58 0.34 113.55 112.61 1trv h SER 46 Ca 0.08 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1trv h SER 46 Cb 0.41 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1trv h SER 46 CO -0.00 -0.07 -1.03 -0.62 -1.14 0.00 0.00 176.83 173.97 1trv n GLU 47 N -5.22 0.57 0.03 3.45 -0.58 -0.89 -3.92 120.64 114.07 1trv n GLU 47 Ca 0.07 0.10 -0.08 0.00 -0.42 0.00 0.00 57.16 56.83 1trv n GLU 47 Cb 0.31 -1.79 -0.13 0.00 -0.57 0.00 0.00 31.44 29.27 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 -2.47 3.49 1.63 -1.01 -3.39 116.57 114.83 1trv h LYS 48 Ca 0.00 -0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 59.19 1trv h LYS 48 Cb 0.96 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.19 1trv h LYS 48 CO 0.00 0.83 -0.75 0.66 -3.45 0.00 0.00 179.45 176.74 1trv n TYR 49 N -3.25 1.94 0.89 1.91 4.01 0.11 -4.90 117.16 117.87 1trv n TYR 49 Ca -0.06 -3.94 0.06 0.00 -0.16 0.00 0.00 57.90 53.80 1trv n TYR 49 Cb 0.98 -0.39 0.35 0.00 -0.31 0.00 0.00 39.34 39.97 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 1.67 0.00 -1.37 7.72 3.41 -1.25 -1.77 113.62 122.02 1trv n SER 50 Ca 0.25 -0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.46 1trv n SER 50 Cb 0.43 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.70 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 3.98 -4.17 4.04 5.15 -1.26 -4.91 115.26 117.17 1trv n ASN 51 Ca 0.09 -2.08 -0.18 0.00 -0.60 0.00 0.00 54.58 51.80 1trv n ASN 51 Cb 0.04 -0.50 -0.12 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 -1.20 1.12 -0.32 3.44 1.01 -0.73 -4.72 120.40 119.01 1trv s VAL 52 Ca 0.48 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1trv s VAL 52 Cb 0.26 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1trv s VAL 52 CO 0.31 -0.21 0.23 -0.63 0.00 0.00 0.00 175.10 174.80 1trv s ILE 53 N -1.25 5.29 -0.16 2.22 -1.09 -1.16 -4.85 121.20 120.20 1trv s ILE 53 Ca -0.02 -0.04 -0.04 0.00 -2.23 0.00 0.00 60.65 58.32 1trv s ILE 53 Cb -0.10 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1trv s ILE 53 CO 0.02 0.09 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.45 1trv s PHE 54 N 1.75 3.06 0.41 3.97 0.08 -1.26 -1.42 117.98 124.58 1trv s PHE 54 Ca 0.07 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 56.96 1trv s PHE 54 Cb -0.17 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1trv s PHE 54 CO 0.11 -0.00 0.32 -0.51 -0.10 0.00 0.00 175.22 175.03 1trv s LEU 55 N 0.37 3.31 -0.23 -0.37 1.02 -0.94 -3.21 118.68 118.62 1trv s LEU 55 Ca -0.03 -0.84 -0.04 0.00 0.02 0.00 0.00 54.13 53.24 1trv s LEU 55 Cb -0.14 -1.87 0.09 0.00 0.02 0.00 0.00 46.19 44.29 1trv s LEU 55 CO 0.02 -0.62 0.17 -0.70 0.02 0.00 0.00 176.35 175.25 1trv s GLU 56 N -4.06 0.17 -0.00 1.70 2.12 -0.41 -2.36 118.70 115.86 1trv s GLU 56 Ca 0.46 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.65 1trv s GLU 56 Cb -0.01 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 1trv s GLU 56 CO 0.26 -0.82 0.04 0.08 -0.54 0.00 0.00 175.26 174.28 1trv s VAL 57 N 2.21 4.46 -0.20 3.70 1.01 -0.37 -1.44 120.40 129.78 1trv s VAL 57 Ca 0.06 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1trv s VAL 57 Cb -0.16 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1trv s VAL 57 CO -0.22 0.37 -0.05 -0.62 0.00 0.00 0.00 175.10 174.58 1trv s ASP 58 N -1.64 4.35 0.00 3.32 2.15 -1.26 -2.90 116.67 120.69 1trv s ASP 58 Ca 0.21 -0.35 0.08 0.00 0.43 0.00 0.00 52.55 52.92 1trv s ASP 58 Cb -0.12 -1.73 0.41 0.00 -0.30 0.00 0.00 42.92 41.18 1trv s ASP 58 CO 0.12 0.02 1.05 1.33 -0.17 0.00 0.00 175.17 177.53 1trv n VAL 59 N 4.50 0.60 -0.11 1.11 0.24 -1.17 0.19 118.33 123.69 1trv n VAL 59 Ca -0.18 0.15 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 1trv n VAL 59 Cb 0.51 -1.02 -0.09 0.00 -1.47 0.00 0.00 33.84 31.77 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 1.95 0.01 -1.34 9.92 -1.26 -3.63 116.55 121.00 1trv n ASP 60 Ca 0.04 0.10 -0.07 0.00 -0.53 0.00 0.00 54.79 54.33 1trv n ASP 60 Cb 0.05 -0.53 -0.13 0.00 -0.64 0.00 0.00 41.12 39.87 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 -0.45 0.00 -0.66 -2.24 1.82 -1.87 -3.35 116.42 109.66 1trv h ASP 61 Ca -0.55 0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 55.62 1trv h ASP 61 Cb 1.64 0.00 -0.35 0.00 0.68 0.00 0.00 39.33 41.29 1trv h ASP 61 CO -0.23 0.96 -0.62 0.00 -1.61 0.00 0.00 179.24 177.74 1trv n ALA 62 N -2.47 4.92 0.16 -0.78 0.00 0.13 -4.72 120.51 117.75 1trv n ALA 62 Ca -0.11 -3.68 0.08 0.00 0.00 0.00 0.00 53.44 49.73 1trv n ALA 62 Cb 0.99 -0.45 0.42 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.80 0.10 -0.08 0.00 10.64 -1.22 -0.61 117.38 125.42 1trv n GLN 63 Ca 0.42 0.59 -0.14 0.00 -1.83 0.00 0.00 57.00 56.03 1trv n GLN 63 Cb 0.91 -2.03 -0.03 0.00 -0.86 0.00 0.00 30.24 28.24 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 0.95 0.81 2.61 2.03 -1.89 -2.53 116.42 118.39 1trv h ASP 64 Ca 0.00 -0.49 -0.23 0.00 -0.73 0.00 0.00 57.03 55.57 1trv h ASP 64 Cb 0.39 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1trv h ASP 64 CO 0.00 1.29 -1.08 0.58 -1.03 0.00 0.00 179.24 178.99 1trv h VAL 65 N 0.67 1.61 -0.72 4.15 2.07 -1.18 -3.24 116.25 119.61 1trv h VAL 65 Ca 0.02 -3.20 -0.02 0.00 0.82 0.00 0.00 66.70 64.32 1trv h VAL 65 Cb 1.12 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.70 1trv h VAL 65 CO 0.12 0.92 0.36 0.00 0.02 0.00 0.00 177.57 178.99 1trv h ALA 66 N 0.83 0.92 0.00 1.67 0.00 -1.44 -1.00 119.26 120.23 1trv h ALA 66 Ca -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1trv h ALA 66 Cb 1.82 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1trv h ALA 66 CO 0.16 0.47 -0.03 1.03 0.00 0.00 0.00 179.25 180.88 1trv h SER 67 N 1.00 0.00 0.40 0.00 0.87 -1.50 -0.76 113.55 113.55 1trv h SER 67 Ca 0.25 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1trv h SER 67 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1trv h SER 67 CO -0.03 0.03 -0.19 -0.08 -0.53 0.00 0.00 176.83 176.02 1trv h GLU 68 N 0.00 -0.51 -0.04 2.24 4.57 -1.21 -2.75 114.58 116.88 1trv h GLU 68 Ca -0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1trv h GLU 68 Cb 0.28 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1trv h GLU 68 CO 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 179.01 177.63 1trv n ALA 69 N -2.51 2.59 -3.55 2.92 0.00 -1.11 -4.92 120.51 113.94 1trv n ALA 69 Ca -0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.86 1trv n ALA 69 Cb 0.28 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1trv n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trv n GLU 70 N -0.49 -1.38 -2.80 0.00 4.71 -0.33 -4.87 120.64 115.47 1trv n GLU 70 Ca 0.16 0.71 -0.43 0.00 -0.01 0.00 0.00 57.16 57.58 1trv n GLU 70 Cb 0.15 -4.34 -0.04 0.00 -1.01 0.00 0.00 31.44 26.20 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1trv s VAL 71 N -3.32 4.37 -0.52 2.62 1.01 -0.95 -4.84 120.40 118.78 1trv s VAL 71 Ca 0.34 0.53 0.15 0.00 0.00 0.00 0.00 61.98 63.00 1trv s VAL 71 Cb -0.11 -4.52 0.49 0.00 0.00 0.00 0.00 36.38 32.23 1trv s VAL 71 CO 0.83 -1.04 1.40 0.29 0.00 0.00 0.00 175.10 176.58 1trv n LYS 72 N 7.47 3.07 -3.21 2.72 4.76 -1.26 -4.87 118.16 126.84 1trv n LYS 72 Ca 0.04 -2.60 -0.00 0.00 -2.87 0.00 0.00 58.31 52.88 1trv n LYS 72 Cb 0.48 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.13 -1.92 0.13 7.82 0.00 -1.26 -5.16 121.76 119.24 1trv s ALA 73 Ca 0.37 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.77 1trv s ALA 73 Cb 0.27 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1trv s ALA 73 CO 0.13 -1.41 0.19 0.95 0.00 0.00 0.00 175.76 175.62 1trv s THR 74 N 2.76 4.89 0.76 0.00 -4.23 -1.26 -4.20 115.64 114.36 1trv s THR 74 Ca 0.17 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 1trv s THR 74 Cb -0.14 -3.47 0.05 0.00 1.34 0.00 0.00 72.50 70.28 1trv s THR 74 CO -0.21 -0.03 1.10 -2.16 -0.54 0.00 0.00 174.62 172.77 1trv s PRO 75 N -2.96 2.37 -0.05 3.99 0.04 -1.26 -4.91 135.00 132.23 1trv s PRO 75 Ca 0.32 0.59 -0.10 0.00 0.04 0.00 0.00 61.00 61.85 1trv s PRO 75 Cb -0.11 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1trv s PRO 75 CO 0.25 -1.41 0.24 0.99 0.04 0.00 0.00 177.00 177.12 1trv s THR 76 N -3.22 0.04 0.01 1.26 2.01 -0.77 -3.30 115.64 111.67 1trv s THR 76 Ca 0.60 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.38 1trv s THR 76 Cb -0.13 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1trv s THR 76 CO 0.53 -0.16 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.71 1trv s PHE 77 N -0.63 2.08 0.04 4.92 0.40 -0.87 -1.21 117.98 122.73 1trv s PHE 77 Ca -0.07 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1trv s PHE 77 Cb -0.04 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1trv s PHE 77 CO 0.02 0.03 -0.17 -0.65 0.70 0.00 0.00 175.22 175.15 1trv s GLN 78 N -0.83 1.09 -0.34 0.44 -0.21 -1.15 -1.92 119.66 116.74 1trv s GLN 78 Ca 0.09 -0.83 -0.06 0.00 0.02 0.00 0.00 55.36 54.58 1trv s GLN 78 Cb -0.09 -1.14 0.04 0.00 1.00 0.00 0.00 33.01 32.82 1trv s GLN 78 CO 0.00 0.29 0.11 -0.06 -2.12 0.00 0.00 175.29 173.51 1trv s PHE 79 N -0.84 3.27 0.15 0.91 0.40 0.12 -1.98 117.98 120.01 1trv s PHE 79 Ca 0.04 -1.47 0.06 0.00 -0.60 0.00 0.00 56.93 54.96 1trv s PHE 79 Cb -0.08 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1trv s PHE 79 CO 0.02 -0.74 0.07 -0.06 0.70 0.00 0.00 175.22 175.20 1trv s PHE 80 N 1.39 3.04 -0.18 0.36 0.08 0.01 -1.96 117.98 120.73 1trv s PHE 80 Ca -0.01 -0.05 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 1trv s PHE 80 Cb -0.20 -1.48 0.07 0.00 -0.57 0.00 0.00 43.02 40.84 1trv s PHE 80 CO 0.02 0.52 0.41 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.91 0.36 -1.36 0.44 2.20 -0.66 -1.90 119.74 115.91 1trv s LYS 81 Ca 0.29 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1trv s LYS 81 Cb -0.10 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1trv s LYS 81 CO 0.21 -0.19 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 4.67 -1.29 -1.65 4.03 5.02 -1.26 0.86 118.16 128.53 1trv n LYS 82 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1trv n LYS 82 Cb 0.53 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 1trv n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trv n GLY 83 N -0.23 0.62 2.85 0.72 0.00 -1.26 -5.05 105.19 102.83 1trv n GLY 83 Ca -0.13 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.46 1.05 -0.00 1.61 -1.52 0.25 -5.10 119.66 112.49 1trv s GLN 84 Ca 0.00 -0.09 -0.30 0.00 -1.95 0.00 0.00 55.36 53.02 1trv s GLN 84 Cb 0.00 -1.21 -0.07 0.00 -0.22 0.00 0.00 33.01 31.52 1trv s GLN 84 CO 0.00 -0.24 1.67 0.21 -0.25 0.00 0.00 175.29 176.69 1trv s LYS 85 N 1.64 4.19 -0.00 2.91 2.20 -1.26 -1.65 119.74 127.76 1trv s LYS 85 Ca 0.01 2.27 0.02 0.00 -0.36 0.00 0.00 55.97 57.92 1trv s LYS 85 Cb -0.13 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 1trv s LYS 85 CO -0.05 -0.81 0.09 1.33 -0.36 0.00 0.00 175.35 175.55 1trv n VAL 86 N 5.20 0.00 -3.56 4.02 0.24 -0.83 -4.97 118.33 118.43 1trv n VAL 86 Ca 0.17 -0.34 -0.07 0.00 -2.04 0.00 0.00 64.34 62.07 1trv n VAL 86 Cb 0.42 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 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 -1.52 -0.33 -0.12 7.63 0.00 -1.19 -5.02 107.32 106.77 1trv s GLY 87 Ca 0.00 1.54 -0.33 0.00 0.00 0.00 0.00 44.72 45.94 1trv s GLY 87 CO 0.10 0.58 1.15 -1.83 0.00 0.00 0.00 173.10 173.10 1trv s GLU 88 N -2.35 0.45 -0.05 2.90 -1.05 -1.26 0.12 118.70 117.46 1trv s GLU 88 Ca 0.06 -0.19 -0.31 0.00 -0.15 0.00 0.00 54.97 54.39 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 -0.20 1.03 -0.59 0.95 0.00 0.00 175.26 176.39 1trv s PHE 89 N -2.59 -0.23 0.05 4.83 -0.12 -0.81 -5.00 117.98 114.11 1trv s PHE 89 Ca 0.09 0.11 0.06 0.00 -0.05 0.00 0.00 56.93 57.14 1trv s PHE 89 Cb -0.00 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1trv s PHE 89 CO -0.05 -0.45 -0.16 -1.54 -0.05 0.00 0.00 175.22 172.97 1trv s SER 90 N -2.47 1.91 0.00 1.98 1.04 -1.26 -2.04 113.70 112.86 1trv s SER 90 Ca 0.08 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1trv s SER 90 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1trv s SER 90 CO -0.06 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1trv n GLY 91 N 1.77 4.22 1.27 7.32 0.00 -1.21 -4.95 105.19 113.61 1trv n GLY 91 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.34 3.27 -3.31 4.61 0.00 -1.26 -4.60 120.51 117.88 1trv n ALA 92 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1trv n ALA 92 Cb 0.00 -1.01 -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 1.03 5.53 0.28 0.00 2.85 -1.26 -4.84 115.26 118.86 1trv n ASN 93 Ca 0.00 -3.14 0.16 0.00 -0.11 0.00 0.00 54.58 51.49 1trv n ASN 93 Cb 0.49 -1.30 0.93 0.00 1.24 0.00 0.00 39.78 41.14 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 6.24 0.00 -0.12 1.20 -0.00 -1.98 -0.30 116.57 121.61 1trv h LYS 94 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.74 1trv h LYS 94 Cb 0.80 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.02 1trv h LYS 94 CO 1.07 0.00 -0.34 0.93 -0.00 0.00 0.00 179.45 181.10 1trv h GLU 95 N 0.00 0.24 0.00 0.07 5.08 -1.98 -2.45 114.58 115.54 1trv h GLU 95 Ca 0.02 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1trv h GLU 95 Cb 0.11 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1trv h GLU 95 CO -0.00 0.56 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.23 1trv h LYS 96 N 0.21 0.00 -0.92 2.33 3.64 -1.45 -2.03 116.57 118.34 1trv h LYS 96 Ca 0.03 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.65 1trv h LYS 96 Cb 0.71 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 1trv h LYS 96 CO 0.05 0.12 0.63 -0.07 -2.27 0.00 0.00 179.45 177.91 1trv h LEU 97 N 0.00 0.22 0.52 5.20 3.38 -1.50 0.67 115.31 123.80 1trv h LEU 97 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1trv h LEU 97 Cb 0.22 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1trv h LEU 97 CO 0.02 0.08 -0.25 -0.08 0.09 0.00 0.00 178.44 178.29 1trv h GLU 98 N 0.21 -0.67 -0.25 1.13 4.22 -1.53 0.23 114.58 117.92 1trv h GLU 98 Ca 0.47 0.05 0.07 0.00 0.08 0.00 0.00 59.36 60.02 1trv h GLU 98 Cb 1.48 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1trv h GLU 98 CO -0.11 -0.45 0.18 0.00 -2.18 0.00 0.00 179.01 176.45 1trv h ALA 99 N -1.63 2.20 -0.14 2.92 0.00 -1.54 -1.90 119.26 119.17 1trv h ALA 99 Ca -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1trv h ALA 99 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1trv h ALA 99 CO 0.12 -0.26 -0.30 1.15 0.00 0.00 0.00 179.25 179.96 1trv h THR 100 N 0.04 1.37 -0.53 0.00 2.02 -0.65 -3.02 112.91 112.13 1trv h THR 100 Ca 0.12 -1.57 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1trv h THR 100 Cb 0.43 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1trv h THR 100 CO -0.01 0.47 0.35 0.40 0.37 0.00 0.00 175.52 177.10 1trv h ILE 101 N 0.06 1.07 0.00 3.11 2.04 0.24 0.42 117.51 124.46 1trv h ILE 101 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1trv h ILE 101 Cb 0.89 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1trv h ILE 101 CO 0.07 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 175.13 1trv n ASN 102 N -4.47 0.00 -0.03 1.72 5.15 -0.95 -2.02 115.26 114.66 1trv n ASN 102 Ca 0.06 -0.72 -0.08 0.00 -0.60 0.00 0.00 54.58 53.24 1trv n ASN 102 Cb 0.12 -0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.27 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 -0.06 -0.43 1.20 4.81 -0.02 -3.35 114.58 116.73 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 0.43 0.00 1.28 -0.73 0.00 0.00 179.01 179.99 1trv n LEU 104 N -4.75 4.74 0.00 1.64 4.77 -1.22 -5.13 117.00 117.04 1trv n LEU 104 Ca -0.06 -2.91 0.01 0.00 -0.03 0.00 0.00 56.01 53.03 1trv n LEU 104 Cb 0.25 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1trv n LEU 104 CO 0.19 0.67 0.32 0.55 -1.33 0.00 0.00 177.39 177.79