#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 0.09 -0.17 2.03 1.01 -1.26 -4.34 120.40 117.75 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 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 34.00 1trv s VAL 2 CO 0.00 0.00 0.34 -0.75 0.00 0.00 0.00 175.10 174.69 1trv s LYS 3 N -3.47 0.25 -0.11 2.72 2.20 -1.21 -5.01 119.74 115.10 1trv s LYS 3 Ca 0.38 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.54 1trv s LYS 3 Cb 0.02 0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 1trv s LYS 3 CO 0.26 -0.31 1.03 -1.14 -0.36 0.00 0.00 175.35 174.82 1trv s GLN 4 N 2.52 4.40 -0.16 4.03 0.74 -1.26 -1.35 119.66 128.58 1trv s GLN 4 Ca 0.01 1.41 -0.18 0.00 0.05 0.00 0.00 55.36 56.65 1trv s GLN 4 Cb -0.12 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 1trv s GLN 4 CO -0.11 -0.36 0.50 0.42 -0.55 0.00 0.00 175.29 175.18 1trv s ILE 5 N 2.17 5.15 -0.09 -2.34 -1.09 -0.65 -4.95 121.20 119.40 1trv s ILE 5 Ca 0.49 0.96 0.14 0.00 -2.23 0.00 0.00 60.65 60.00 1trv s ILE 5 Cb -0.18 -3.83 -0.24 0.00 -1.58 0.00 0.00 42.46 36.63 1trv s ILE 5 CO 0.17 0.26 0.48 -0.62 -1.23 0.00 0.00 174.94 174.00 1trv n GLU 6 N 4.19 0.65 -0.37 2.79 -0.58 -1.26 -4.43 120.64 121.63 1trv n GLU 6 Ca -0.06 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1trv n GLU 6 Cb 0.51 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1trv n SER 7 N -2.97 0.00 0.15 1.62 3.41 -1.26 -4.06 113.62 110.52 1trv n SER 7 Ca -0.22 -0.35 0.05 0.00 -0.26 0.00 0.00 58.87 58.09 1trv n SER 7 Cb 1.08 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 65.09 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 0.00 4.33 3.64 -1.93 -3.14 116.57 119.48 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 -0.04 1.15 -2.27 0.00 0.00 179.45 178.65 1trv h THR 9 N 0.00 0.90 -0.09 1.00 2.02 -2.01 -1.57 112.91 113.16 1trv h THR 9 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 1trv h THR 9 Cb 1.29 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1trv h THR 9 CO 0.05 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.53 1trv h ALA 10 N 0.93 1.14 -0.63 6.16 0.00 -1.98 -2.94 119.26 121.93 1trv h ALA 10 Ca 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1trv h ALA 10 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1trv h ALA 10 CO -0.04 0.58 0.41 0.35 0.00 0.00 0.00 179.25 180.55 1trv h PHE 11 N 0.17 0.77 0.36 0.00 3.57 -1.34 0.20 116.94 120.67 1trv h PHE 11 Ca 0.02 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1trv h PHE 11 Cb 0.80 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1trv h PHE 11 CO 0.01 0.47 -0.17 1.96 -2.23 0.00 0.00 178.31 178.35 1trv h GLN 12 N 0.82 -0.46 -0.00 1.11 4.20 -1.14 -2.38 115.11 117.25 1trv h GLN 12 Ca 0.24 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1trv h GLN 12 Cb -0.05 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1trv h GLN 12 CO -0.07 -0.19 0.01 0.93 -0.67 0.00 0.00 178.83 178.83 1trv h GLU 13 N -0.68 0.00 -0.10 1.46 3.07 -1.35 -1.97 114.58 115.01 1trv h GLU 13 Ca -0.05 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1trv h GLU 13 Cb 0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1trv h GLU 13 CO 0.08 0.00 -0.03 0.00 -1.40 0.00 0.00 179.01 177.66 1trv h ALA 14 N 1.99 0.13 0.00 3.43 0.00 -0.13 -2.15 119.26 122.54 1trv h ALA 14 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1trv h ALA 14 CO -0.00 -0.12 -0.12 -0.07 0.00 0.00 0.00 179.25 178.94 1trv h LEU 15 N -0.15 0.00 -0.27 0.00 3.38 -0.90 -2.32 115.31 115.05 1trv h LEU 15 Ca 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1trv h LEU 15 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1trv h LEU 15 CO 0.01 0.12 -0.50 -0.78 0.09 0.00 0.00 178.44 177.38 1trv h ASP 16 N 0.00 0.90 0.80 -0.43 1.82 -1.04 -2.99 116.42 115.47 1trv h ASP 16 Ca -0.00 -0.53 -0.08 0.00 -0.39 0.00 0.00 57.03 56.03 1trv h ASP 16 Cb 0.37 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1trv h ASP 16 CO 0.02 1.26 -0.36 0.00 -1.61 0.00 0.00 179.24 178.54 1trv h ALA 17 N 0.66 1.03 -0.52 -0.78 0.00 -0.89 -2.96 119.26 115.80 1trv h ALA 17 Ca 0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1trv h ALA 17 Cb 1.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1trv h ALA 17 CO 0.11 0.46 0.05 0.00 0.00 0.00 0.00 179.25 179.87 1trv h ALA 18 N 1.64 1.11 0.00 0.00 0.00 -1.29 -3.47 119.26 117.25 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 0.86 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1trv h ALA 18 CO 0.05 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1trv n GLY 19 N -0.70 2.17 0.00 0.00 0.00 -1.12 -3.00 105.19 102.55 1trv n GLY 19 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 6.29 0.00 -4.80 1.61 2.03 -1.26 -4.55 116.55 115.87 1trv n ASP 20 Ca 0.00 -1.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 1trv n ASP 20 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1trv s LYS 21 N 0.00 2.01 0.82 -0.67 1.02 -1.16 -4.66 119.74 117.10 1trv s LYS 21 Ca 0.00 0.60 -0.12 0.00 0.02 0.00 0.00 55.97 56.47 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 1.16 -1.17 -0.92 0.00 0.00 175.35 172.76 1trv s LEU 22 N -5.79 3.06 -0.30 3.17 0.20 -1.26 -4.56 118.68 113.19 1trv s LEU 22 Ca 0.61 2.19 0.01 0.00 0.69 0.00 0.00 54.13 57.63 1trv s LEU 22 Cb -0.14 -4.57 0.15 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.54 -2.60 0.34 -0.69 -0.29 0.00 0.00 176.35 173.64 1trv s VAL 23 N -2.45 -0.46 0.55 1.68 1.01 -0.89 -2.95 120.40 116.90 1trv s VAL 23 Ca 0.69 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1trv s VAL 23 Cb -0.24 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1trv s VAL 23 CO 0.53 -0.43 0.82 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.27 3.49 -0.01 2.92 1.01 -0.59 -0.92 120.40 128.58 1trv s VAL 24 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1trv s VAL 24 Cb -0.14 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1trv s VAL 24 CO -0.28 -0.31 0.03 -0.69 0.00 0.00 0.00 175.10 173.85 1trv s VAL 25 N -2.85 0.04 -0.31 2.92 1.01 -0.76 -2.32 120.40 118.13 1trv s VAL 25 Ca 0.53 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1trv s VAL 25 Cb -0.10 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.18 1trv s VAL 25 CO 0.42 -0.17 0.03 -0.62 0.00 0.00 0.00 175.10 174.76 1trv s ASP 26 N -0.49 4.96 -0.64 3.32 2.15 -1.07 -2.86 116.67 122.04 1trv s ASP 26 Ca -0.06 -1.35 -0.16 0.00 0.43 0.00 0.00 52.55 51.42 1trv s ASP 26 Cb -0.04 -1.74 0.16 0.00 -0.30 0.00 0.00 42.92 41.01 1trv s ASP 26 CO -0.00 -0.30 0.61 -0.36 -0.17 0.00 0.00 175.17 174.95 1trv s PHE 27 N 1.25 3.40 0.00 -5.34 0.40 -0.39 -1.21 117.98 116.09 1trv s PHE 27 Ca -0.03 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 54.80 1trv s PHE 27 Cb -0.20 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.50 1trv s PHE 27 CO -0.01 -1.04 0.00 0.43 0.70 0.00 0.00 175.22 175.30 1trv n SER 28 N 4.92 1.85 -3.74 1.36 7.64 -1.14 -1.93 113.62 122.58 1trv n SER 28 Ca -0.04 -0.48 -0.21 0.00 1.01 0.00 0.00 58.87 59.15 1trv n SER 28 Cb 0.43 0.00 -0.18 0.00 -1.01 0.00 0.00 64.21 63.45 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.00 0.49 -0.05 -0.43 0.00 -1.26 -2.95 121.76 115.56 1trv s ALA 29 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1trv s ALA 29 Cb 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 23.12 22.24 1trv s ALA 29 CO 0.00 -0.43 1.08 0.00 0.00 0.00 0.00 175.76 176.41 1trv h THR 30 N 6.36 1.53 -0.18 0.00 1.03 -1.96 -3.02 112.91 116.67 1trv h THR 30 Ca -0.19 -1.74 0.05 0.00 -0.01 0.00 0.00 66.41 64.52 1trv h THR 30 Cb 1.12 2.63 -0.01 0.00 -1.07 0.00 0.00 68.15 70.82 1trv h THR 30 CO 0.24 0.47 0.38 4.11 -0.01 0.00 0.00 175.52 180.71 1trv h TRP 31 N -0.53 0.00 -3.61 0.00 5.08 -2.01 -3.40 115.95 111.47 1trv h TRP 31 Ca -0.01 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.83 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.00 1trv h TRP 31 CO 0.16 0.00 0.07 0.00 -1.28 0.00 0.00 178.44 177.40 1trv n GLY 33 N -1.26 -0.58 0.23 0.00 0.00 -1.26 -4.05 105.19 98.26 1trv n GLY 33 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.27 0.30 0.00 1.61 0.11 -1.96 0.44 132.00 132.23 1trv h PRO 34 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1trv h PRO 34 Cb 0.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1trv h PRO 34 CO 0.00 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 177.99 1trv n LYS 36 N -1.36 0.76 0.00 0.00 4.81 0.15 -4.20 118.16 118.31 1trv n LYS 36 Ca 0.03 -0.10 0.09 0.00 -0.87 0.00 0.00 58.31 57.46 1trv n LYS 36 Cb 0.08 -1.49 0.42 0.00 0.02 0.00 0.00 35.03 34.05 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 -2.47 0.16 -0.16 1.64 2.81 -0.68 -2.18 117.12 116.25 1trv n MET 37 Ca -0.18 0.15 0.12 0.00 -1.81 0.00 0.00 57.70 55.98 1trv n MET 37 Cb 0.84 -1.50 0.20 0.00 -0.71 0.00 0.00 33.22 32.05 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 -1.36 0.41 0.13 2.02 5.41 -1.24 -4.32 119.36 120.41 1trv n ILE 38 Ca 0.07 -0.70 0.05 0.00 1.00 0.00 0.00 62.75 63.17 1trv n ILE 38 Cb 0.16 1.06 0.02 0.00 -0.71 0.00 0.00 39.64 40.17 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 4.49 0.00 0.00 0.38 2.10 -1.67 -3.20 116.57 118.67 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 0.30 0.00 -0.35 -2.00 0.00 0.00 179.45 177.40 1trv n PRO 40 N -3.06 0.15 -0.06 0.07 -0.05 -1.26 -0.93 135.00 129.85 1trv n PRO 40 Ca -0.00 0.33 -0.05 0.00 -0.05 0.00 0.00 63.50 63.73 1trv n PRO 40 Cb 0.70 -1.76 -0.03 0.00 -0.05 0.00 0.00 33.50 32.36 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 -0.02 0.54 0.04 -1.83 -2.72 116.94 112.94 1trv h PHE 41 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.39 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1trv h PHE 41 CO 0.00 0.25 0.02 0.35 -0.60 0.00 0.00 178.31 178.33 1trv h PHE 42 N -1.00 0.03 0.00 -0.55 3.57 -1.57 -1.98 116.94 115.44 1trv h PHE 42 Ca -0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1trv h PHE 42 Cb 0.42 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1trv h PHE 42 CO -0.04 0.05 -0.07 1.25 -2.23 0.00 0.00 178.31 177.26 1trv h HIS 43 N 0.01 0.00 -0.16 0.41 2.76 -1.22 -1.59 115.15 115.36 1trv h HIS 43 Ca 0.01 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1trv h HIS 43 Cb 0.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1trv h HIS 43 CO -0.07 0.07 -0.31 1.03 -1.30 0.00 0.00 177.93 177.35 1trv h SER 44 N 0.00 0.32 -0.18 3.26 0.87 -1.03 -2.35 113.55 114.44 1trv h SER 44 Ca -0.00 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1trv h SER 44 Cb 0.16 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1trv h SER 44 CO 0.01 0.63 0.15 -0.07 -0.53 0.00 0.00 176.83 177.02 1trv h LEU 45 N 0.28 0.00 -0.98 2.23 3.38 -1.02 -1.88 115.31 117.32 1trv h LEU 45 Ca 0.04 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.24 1trv h LEU 45 Cb 0.69 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.32 1trv h LEU 45 CO 0.05 0.00 0.56 0.28 0.09 0.00 0.00 178.44 179.42 1trv h SER 46 N 0.00 0.63 0.86 -0.43 0.02 -1.51 0.34 113.55 113.46 1trv h SER 46 Ca 0.09 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1trv h SER 46 Cb 0.39 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1trv h SER 46 CO -0.00 0.12 -0.90 -0.62 -1.14 0.00 0.00 176.83 174.28 1trv n GLU 47 N -4.89 0.46 0.04 3.45 -0.58 -0.72 -3.87 120.64 114.53 1trv n GLU 47 Ca 0.25 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.98 1trv n GLU 47 Cb 0.70 -1.75 -0.13 0.00 -0.57 0.00 0.00 31.44 29.69 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 0.07 -2.48 3.49 3.64 -0.63 -3.40 116.57 117.25 1trv h LYS 48 Ca 0.00 -0.11 -0.60 0.00 -1.27 0.00 0.00 60.65 58.67 1trv h LYS 48 Cb 0.88 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 32.34 1trv h LYS 48 CO 0.00 0.87 -0.75 0.66 -2.27 0.00 0.00 179.45 177.96 1trv n TYR 49 N -3.28 1.94 0.86 1.91 4.01 0.90 -4.90 117.16 118.59 1trv n TYR 49 Ca -0.10 -3.94 0.06 0.00 -0.16 0.00 0.00 57.90 53.76 1trv n TYR 49 Cb 1.00 -0.39 0.33 0.00 -0.31 0.00 0.00 39.34 39.98 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 1.69 0.00 -1.26 7.72 3.41 -1.25 -1.67 113.62 122.26 1trv n SER 50 Ca 0.25 -0.51 0.11 0.00 -0.26 0.00 0.00 58.87 58.46 1trv n SER 50 Cb 0.42 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 -0.91 3.67 -4.18 4.04 5.15 -1.26 -4.91 115.26 116.86 1trv n ASN 51 Ca 0.08 -2.00 -0.18 0.00 -0.60 0.00 0.00 54.58 51.89 1trv n ASN 51 Cb 0.04 -0.43 -0.12 0.00 -0.53 0.00 0.00 39.78 38.74 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 -1.13 1.14 -0.31 3.44 1.01 -0.67 -4.71 120.40 119.16 1trv s VAL 52 Ca 0.46 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1trv s VAL 52 Cb 0.24 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1trv s VAL 52 CO 0.32 -0.26 0.20 -0.63 0.00 0.00 0.00 175.10 174.73 1trv s ILE 53 N -1.41 5.18 -0.15 2.22 -1.09 -1.15 -5.00 121.20 119.79 1trv s ILE 53 Ca -0.00 -0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 1trv s ILE 53 Cb -0.09 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1trv s ILE 53 CO 0.02 0.11 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.45 1trv s PHE 54 N 1.72 3.03 0.46 3.97 0.08 -1.26 -1.54 117.98 124.44 1trv s PHE 54 Ca 0.06 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 56.91 1trv s PHE 54 Cb -0.17 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1trv s PHE 54 CO 0.10 -0.02 0.36 -0.51 -0.10 0.00 0.00 175.22 175.05 1trv s LEU 55 N 0.32 3.13 -0.25 -0.37 1.02 -0.98 -3.28 118.68 118.26 1trv s LEU 55 Ca -0.04 -0.96 -0.03 0.00 0.02 0.00 0.00 54.13 53.12 1trv s LEU 55 Cb -0.14 -1.67 0.11 0.00 0.02 0.00 0.00 46.19 44.51 1trv s LEU 55 CO 0.03 -0.78 0.22 -0.70 0.02 0.00 0.00 176.35 175.13 1trv s GLU 56 N -4.15 0.23 0.02 1.70 2.12 -0.46 -2.59 118.70 115.57 1trv s GLU 56 Ca 0.43 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1trv s GLU 56 Cb -0.02 -1.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.30 1trv s GLU 56 CO 0.25 -0.87 0.06 0.08 -0.54 0.00 0.00 175.26 174.24 1trv s VAL 57 N 2.28 4.56 -0.21 3.70 1.01 -0.35 -1.64 120.40 129.75 1trv s VAL 57 Ca 0.08 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1trv s VAL 57 Cb -0.15 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1trv s VAL 57 CO -0.25 0.30 -0.06 -0.62 0.00 0.00 0.00 175.10 174.47 1trv s ASP 58 N -1.85 4.19 0.00 3.32 2.15 -1.26 -2.89 116.67 120.33 1trv s ASP 58 Ca 0.24 -0.41 0.08 0.00 0.43 0.00 0.00 52.55 52.89 1trv s ASP 58 Cb -0.12 -1.71 0.47 0.00 -0.30 0.00 0.00 42.92 41.26 1trv s ASP 58 CO 0.15 -0.00 1.02 1.33 -0.17 0.00 0.00 175.17 177.50 1trv n VAL 59 N 4.68 0.33 -0.11 1.11 0.24 -1.15 0.29 118.33 123.72 1trv n VAL 59 Ca -0.18 0.08 -0.20 0.00 -2.04 0.00 0.00 64.34 62.00 1trv n VAL 59 Cb 0.51 -0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 31.84 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 -1.11 1.91 0.01 -1.34 9.92 -1.26 -3.70 116.55 120.98 1trv n ASP 60 Ca 0.05 0.11 -0.11 0.00 -0.53 0.00 0.00 54.79 54.32 1trv n ASP 60 Cb 0.04 -0.52 -0.14 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 -0.47 0.10 -0.64 -2.24 3.58 -1.87 -3.35 116.42 111.53 1trv h ASP 61 Ca -0.53 -0.17 -0.43 0.00 0.42 0.00 0.00 57.03 56.32 1trv h ASP 61 Cb 1.59 -0.03 -0.28 0.00 1.72 0.00 0.00 39.33 42.32 1trv h ASP 61 CO -0.23 1.15 -0.27 0.00 -2.88 0.00 0.00 179.24 177.01 1trv n ALA 62 N -2.56 4.99 0.13 -0.78 0.00 0.15 -4.74 120.51 117.70 1trv n ALA 62 Ca -0.14 -3.52 0.06 0.00 0.00 0.00 0.00 53.44 49.84 1trv n ALA 62 Cb 1.03 -0.72 0.34 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.90 0.08 -0.09 0.00 10.64 -1.21 -0.61 117.38 125.30 1trv n GLN 63 Ca 0.43 0.54 -0.14 0.00 -1.83 0.00 0.00 57.00 56.00 1trv n GLN 63 Cb 0.91 -1.97 -0.04 0.00 -0.86 0.00 0.00 30.24 28.29 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 0.94 0.63 2.61 2.03 -1.90 -1.97 116.42 118.77 1trv h ASP 64 Ca 0.00 -0.52 -0.26 0.00 -0.73 0.00 0.00 57.03 55.52 1trv h ASP 64 Cb 0.39 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1trv h ASP 64 CO 0.00 1.28 -1.19 0.58 -1.03 0.00 0.00 179.24 178.87 1trv h VAL 65 N 0.64 1.51 -0.81 4.15 2.07 -1.19 -3.20 116.25 119.41 1trv h VAL 65 Ca 0.03 -3.02 -0.04 0.00 0.82 0.00 0.00 66.70 64.49 1trv h VAL 65 Cb 1.08 2.89 -0.04 0.00 -1.52 0.00 0.00 31.29 33.70 1trv h VAL 65 CO 0.11 0.88 0.36 0.00 0.02 0.00 0.00 177.57 178.94 1trv h ALA 66 N 0.63 1.11 0.00 1.67 0.00 -1.46 -1.34 119.26 119.86 1trv h ALA 66 Ca -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1trv h ALA 66 Cb 1.91 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1trv h ALA 66 CO 0.19 0.66 -0.13 1.03 0.00 0.00 0.00 179.25 181.00 1trv h SER 67 N 1.16 0.00 0.63 0.00 0.87 -1.40 0.90 113.55 115.72 1trv h SER 67 Ca 0.28 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1trv h SER 67 Cb 0.16 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1trv h SER 67 CO -0.03 0.13 -0.30 -0.08 -0.53 0.00 0.00 176.83 176.02 1trv h GLU 68 N 0.00 -0.82 -0.00 2.24 4.57 -1.24 -2.57 114.58 116.76 1trv h GLU 68 Ca -0.00 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1trv h GLU 68 Cb 0.38 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1trv h GLU 68 CO 0.02 -0.51 -0.02 0.00 -1.18 0.00 0.00 179.01 177.32 1trv n ALA 69 N -2.54 2.65 -3.35 2.92 0.00 -1.13 -4.93 120.51 114.13 1trv n ALA 69 Ca -0.13 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 52.91 1trv n ALA 69 Cb 0.36 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.89 -1.73 -2.76 0.00 2.13 0.26 -4.89 120.64 112.75 1trv n GLU 70 Ca 0.20 0.90 -0.42 0.00 0.66 0.00 0.00 57.16 58.49 1trv n GLU 70 Cb 0.20 -5.19 -0.04 0.00 0.27 0.00 0.00 31.44 26.68 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 -3.30 4.19 -0.25 6.31 1.01 -0.87 -4.83 120.40 122.66 1trv s VAL 71 Ca 0.34 0.12 0.13 0.00 0.00 0.00 0.00 61.98 62.56 1trv s VAL 71 Cb -0.07 -4.69 0.58 0.00 0.00 0.00 0.00 36.38 32.20 1trv s VAL 71 CO 0.78 -1.42 1.54 0.29 0.00 0.00 0.00 175.10 176.29 1trv n LYS 72 N 8.04 2.86 -3.20 2.72 5.02 -1.26 -4.84 118.16 127.50 1trv n LYS 72 Ca 0.00 -3.00 -0.00 0.00 -2.02 0.00 0.00 58.31 53.29 1trv n LYS 72 Cb 0.47 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.99 -2.00 0.13 7.82 0.00 -1.26 -5.16 121.76 118.31 1trv s ALA 73 Ca 0.46 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.38 1trv s ALA 73 Cb 0.39 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1trv s ALA 73 CO 0.08 -1.72 0.20 0.95 0.00 0.00 0.00 175.76 175.27 1trv s THR 74 N 2.74 4.98 0.75 0.00 -4.23 -1.26 -4.19 115.64 114.43 1trv s THR 74 Ca 0.11 -0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1trv s THR 74 Cb -0.12 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 70.24 1trv s THR 74 CO -0.26 -0.04 1.09 -2.16 -0.54 0.00 0.00 174.62 172.71 1trv s PRO 75 N -3.01 2.50 -0.02 3.99 0.04 -1.26 -4.92 135.00 132.33 1trv s PRO 75 Ca 0.33 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 1trv s PRO 75 Cb -0.11 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.26 -1.33 0.24 0.99 0.04 0.00 0.00 177.00 177.20 1trv s THR 76 N -3.21 0.06 0.01 1.26 2.01 -0.82 -3.29 115.64 111.67 1trv s THR 76 Ca 0.59 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.14 1trv s THR 76 Cb -0.13 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1trv s THR 76 CO 0.54 -0.28 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.65 1trv s PHE 77 N -1.21 1.54 0.04 4.92 0.40 -0.88 -1.26 117.98 121.53 1trv s PHE 77 Ca -0.13 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1trv s PHE 77 Cb -0.06 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 1trv s PHE 77 CO 0.03 0.01 -0.16 -0.65 0.70 0.00 0.00 175.22 175.14 1trv s GLN 78 N -0.67 1.11 -0.32 0.44 -0.21 -1.14 -1.94 119.66 116.92 1trv s GLN 78 Ca 0.06 -0.80 -0.06 0.00 0.02 0.00 0.00 55.36 54.58 1trv s GLN 78 Cb -0.07 -1.15 0.03 0.00 1.00 0.00 0.00 33.01 32.82 1trv s GLN 78 CO 0.00 0.29 0.09 -0.06 -2.12 0.00 0.00 175.29 173.49 1trv s PHE 79 N -0.79 3.22 0.14 0.91 0.40 0.11 -1.82 117.98 120.15 1trv s PHE 79 Ca 0.04 -1.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.07 1trv s PHE 79 Cb -0.08 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1trv s PHE 79 CO 0.01 -0.70 0.06 -0.06 0.70 0.00 0.00 175.22 175.23 1trv s PHE 80 N 1.41 3.03 -0.18 0.36 0.08 -0.10 -1.90 117.98 120.68 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 -0.19 -1.49 0.07 0.00 -0.57 0.00 0.00 43.02 40.85 1trv s PHE 80 CO 0.02 0.51 0.42 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.83 0.37 -1.18 0.44 2.20 -0.41 -2.09 119.74 116.24 1trv s LYS 81 Ca 0.29 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1trv s LYS 81 Cb -0.10 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 1trv s LYS 81 CO 0.21 -0.19 0.00 1.63 -0.36 0.00 0.00 175.35 176.63 1trv n LYS 82 N 4.71 -1.87 -1.72 4.03 5.02 -1.26 0.88 118.16 127.94 1trv n LYS 82 Ca -0.17 0.67 -0.03 0.00 -2.02 0.00 0.00 58.31 56.75 1trv n LYS 82 Cb 0.53 -5.14 -0.01 0.00 -0.02 0.00 0.00 35.03 30.40 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 -0.61 0.37 2.88 0.72 0.00 -1.26 -5.03 105.19 102.26 1trv n GLY 83 Ca -0.14 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.49 1.13 0.09 1.61 -0.21 0.25 -5.11 119.66 113.94 1trv s GLN 84 Ca 0.00 -0.14 -0.31 0.00 0.02 0.00 0.00 55.36 54.93 1trv s GLN 84 Cb 0.00 -1.22 -0.08 0.00 1.00 0.00 0.00 33.01 32.71 1trv s GLN 84 CO 0.00 -0.19 1.57 0.21 -2.12 0.00 0.00 175.29 174.76 1trv s LYS 85 N 1.45 4.23 0.00 2.91 2.20 -1.26 -1.28 119.74 127.98 1trv s LYS 85 Ca -0.01 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1trv s LYS 85 Cb -0.13 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1trv s LYS 85 CO -0.04 -0.65 0.00 1.33 -0.36 0.00 0.00 175.35 175.63 1trv n VAL 86 N 4.42 0.00 -3.55 4.02 0.24 -0.80 -4.94 118.33 117.72 1trv n VAL 86 Ca 0.14 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.34 62.12 1trv n VAL 86 Cb 0.40 0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 33.50 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 -1.47 -0.36 -0.11 7.63 0.00 -1.19 -5.03 107.32 106.79 1trv s GLY 87 Ca 0.00 1.40 -0.33 0.00 0.00 0.00 0.00 44.72 45.79 1trv s GLY 87 CO 0.00 0.52 1.13 -1.83 0.00 0.00 0.00 173.10 172.91 1trv s GLU 88 N -2.56 0.48 -0.06 2.90 -1.05 -1.26 0.07 118.70 117.22 1trv s GLU 88 Ca 0.06 -0.19 -0.31 0.00 -0.15 0.00 0.00 54.97 54.38 1trv s GLU 88 Cb -0.01 0.21 0.11 0.00 -0.44 0.00 0.00 34.13 34.00 1trv s GLU 88 CO -0.06 -0.21 1.02 -0.59 0.95 0.00 0.00 175.26 176.37 1trv s PHE 89 N -2.63 -0.24 0.02 4.83 -0.12 -0.82 -5.00 117.98 114.03 1trv s PHE 89 Ca 0.09 0.12 0.05 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 -0.44 -0.16 -1.54 -0.05 0.00 0.00 175.22 172.98 1trv s SER 90 N -2.44 1.88 0.00 1.98 1.04 -1.26 -2.07 113.70 112.82 1trv s SER 90 Ca 0.07 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1trv s SER 90 Cb -0.01 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.95 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 2.20 4.19 1.58 7.32 0.00 -1.21 -4.96 105.19 114.32 1trv n GLY 91 Ca -0.16 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.28 4.36 -3.40 4.61 0.00 -1.26 -4.67 120.51 118.87 1trv n ALA 92 Ca 0.00 -0.30 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 1trv n ALA 92 Cb 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 1.95 7.04 0.53 0.00 3.04 -1.26 -4.86 114.94 121.40 1trv s ASN 93 Ca 0.10 -3.62 0.20 0.00 0.04 0.00 0.00 52.86 49.58 1trv s ASN 93 Cb 0.05 -2.15 1.38 0.00 -1.54 0.00 0.00 41.25 39.00 1trv s ASN 93 CO -0.00 -0.27 2.13 0.07 -3.04 0.00 0.00 177.10 175.99 1trv h LYS 94 N 6.54 0.00 -0.09 0.43 2.10 -1.97 -0.51 116.57 123.07 1trv h LYS 94 Ca 0.17 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.73 1trv h LYS 94 Cb 0.86 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1trv h LYS 94 CO 0.98 0.00 -0.38 0.93 -2.00 0.00 0.00 179.45 178.98 1trv h GLU 95 N 0.00 0.19 -0.21 0.07 5.08 -1.99 -2.65 114.58 115.07 1trv h GLU 95 Ca 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1trv h GLU 95 Cb 0.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1trv h GLU 95 CO -0.00 0.54 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.33 1trv h LYS 96 N 0.16 0.31 -0.91 2.33 3.64 -1.49 -2.04 116.57 118.56 1trv h LYS 96 Ca 0.02 -0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.57 1trv h LYS 96 Cb 0.74 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1trv h LYS 96 CO 0.06 0.34 0.61 -0.07 -2.27 0.00 0.00 179.45 178.12 1trv h LEU 97 N 0.31 0.32 0.43 5.20 3.38 -1.49 0.23 115.31 123.70 1trv h LEU 97 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1trv h LEU 97 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1trv h LEU 97 CO 0.00 0.12 -0.21 -0.08 0.09 0.00 0.00 178.44 178.37 1trv h GLU 98 N 0.32 -0.56 -0.17 1.13 4.81 -1.51 0.21 114.58 118.81 1trv h GLU 98 Ca 0.47 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.79 1trv h GLU 98 Cb 1.32 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1trv h GLU 98 CO -0.15 -0.37 0.13 0.00 -0.73 0.00 0.00 179.01 177.89 1trv h ALA 99 N -1.68 2.07 -0.12 2.92 0.00 -1.53 -1.97 119.26 118.94 1trv h ALA 99 Ca -0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1trv h ALA 99 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1trv h ALA 99 CO 0.10 -0.22 -0.26 1.15 0.00 0.00 0.00 179.25 180.02 1trv h THR 100 N 0.00 1.38 -0.53 0.00 2.02 -0.33 -2.97 112.91 112.48 1trv h THR 100 Ca 0.08 -1.54 0.03 0.00 0.77 0.00 0.00 66.41 65.75 1trv h THR 100 Cb 0.34 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 1trv h THR 100 CO -0.00 0.45 0.35 0.40 0.37 0.00 0.00 175.52 177.09 1trv h ILE 101 N -0.03 1.07 0.00 3.11 2.04 0.17 0.45 117.51 124.32 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 0.85 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1trv h ILE 101 CO 0.06 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1trv n ASN 102 N -4.47 0.00 -0.04 1.72 5.15 -0.97 -2.06 115.26 114.59 1trv n ASN 102 Ca 0.06 -0.75 -0.08 0.00 -0.60 0.00 0.00 54.58 53.21 1trv n ASN 102 Cb 0.13 -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 -0.04 -0.45 1.20 4.81 0.07 -3.35 114.58 116.82 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 0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1trv h GLU 103 CO 0.00 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 180.04 1trv n LEU 104 N -4.73 4.71 0.00 1.64 4.77 -1.22 -5.13 117.00 117.04 1trv n LEU 104 Ca -0.06 -2.85 0.01 0.00 -0.03 0.00 0.00 56.01 53.09 1trv n LEU 104 Cb 0.26 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.85 1trv n LEU 104 CO 0.20 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.82