#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 0.06 -0.17 2.03 1.01 -1.26 -4.13 120.40 117.94 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 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.98 1trv s VAL 2 CO 0.00 0.00 0.35 -0.75 0.00 0.00 0.00 175.10 174.70 1trv s LYS 3 N -3.53 0.25 -0.09 2.72 2.47 -1.14 -5.00 119.74 115.42 1trv s LYS 3 Ca 0.39 0.90 -0.29 0.00 -1.56 0.00 0.00 55.97 55.41 1trv s LYS 3 Cb 0.03 0.16 -0.02 0.00 -1.46 0.00 0.00 37.83 36.54 1trv s LYS 3 CO 0.25 -0.27 0.99 -1.14 0.16 0.00 0.00 175.35 175.34 1trv s GLN 4 N 2.53 4.44 -0.22 4.03 0.74 -1.26 -1.38 119.66 128.54 1trv s GLN 4 Ca -0.00 1.38 -0.18 0.00 0.05 0.00 0.00 55.36 56.61 1trv s GLN 4 Cb -0.12 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 1trv s GLN 4 CO -0.11 -0.26 0.50 0.42 -0.55 0.00 0.00 175.29 175.29 1trv s ILE 5 N 1.82 5.11 -0.10 -2.34 -1.09 -0.72 -4.93 121.20 118.94 1trv s ILE 5 Ca 0.49 0.90 0.15 0.00 -2.23 0.00 0.00 60.65 59.95 1trv s ILE 5 Cb -0.19 -3.82 -0.21 0.00 -1.58 0.00 0.00 42.46 36.66 1trv s ILE 5 CO 0.20 0.16 0.58 -0.62 -1.23 0.00 0.00 174.94 174.02 1trv n GLU 6 N 5.00 0.64 0.00 2.79 1.02 -1.26 -4.53 120.64 124.31 1trv n GLU 6 Ca -0.05 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.50 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.92 0.00 0.06 1.62 3.41 -1.26 -4.29 113.62 110.24 1trv n SER 7 Ca -0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.39 1trv n SER 7 Cb 1.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.87 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 -0.21 4.33 3.64 -1.93 -3.15 116.57 119.24 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 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1trv h LYS 8 CO 0.00 0.69 0.10 1.15 -2.27 0.00 0.00 179.45 179.12 1trv h THR 9 N 0.00 0.99 -0.05 1.00 2.02 -2.00 -1.67 112.91 113.18 1trv h THR 9 Ca -0.09 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1trv h THR 9 Cb 1.71 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 1trv h THR 9 CO 0.09 0.04 -0.42 0.00 0.37 0.00 0.00 175.52 175.60 1trv h ALA 10 N 1.11 1.20 0.05 6.16 0.00 -1.97 -2.64 119.26 123.17 1trv h ALA 10 Ca 0.09 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1trv h ALA 10 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1trv h ALA 10 CO -0.07 0.57 -0.02 0.35 0.00 0.00 0.00 179.25 180.08 1trv h PHE 11 N 0.10 -0.06 0.00 0.00 3.57 -1.30 0.23 116.94 119.48 1trv h PHE 11 Ca 0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.79 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1trv h PHE 11 CO 0.01 -0.04 -0.00 0.37 -2.23 0.00 0.00 178.31 176.42 1trv h GLN 12 N -0.07 -0.01 -0.03 1.11 -0.00 -1.25 -1.90 115.11 112.97 1trv h GLN 12 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1trv h GLN 12 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.54 1trv h GLN 12 CO 0.01 0.12 0.02 0.93 0.00 0.00 0.00 178.83 179.92 1trv h GLU 13 N -0.13 0.00 -0.02 1.69 4.39 -1.31 -1.44 114.58 117.76 1trv h GLU 13 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1trv h GLU 13 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1trv h GLU 13 CO 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.84 1trv h ALA 14 N 1.98 0.02 0.00 3.43 0.00 0.24 -1.97 119.26 122.96 1trv h ALA 14 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 14 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1trv h ALA 14 CO -0.00 -0.27 -0.11 -0.07 0.00 0.00 0.00 179.25 178.80 1trv h LEU 15 N -0.36 0.00 -0.18 0.00 3.38 -0.88 -2.22 115.31 115.05 1trv h LEU 15 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 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 0.11 -0.33 -0.78 0.09 0.00 0.00 178.44 177.54 1trv h ASP 16 N 0.00 0.60 1.15 -0.43 3.58 -0.97 -2.95 116.42 117.40 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 0.37 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1trv h ASP 16 CO 0.01 1.03 0.00 0.00 -2.88 0.00 0.00 179.24 177.40 1trv h ALA 17 N 0.59 1.00 -0.67 -0.78 0.00 -0.97 -3.02 119.26 115.40 1trv h ALA 17 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1trv h ALA 17 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1trv h ALA 17 CO 0.07 0.00 0.11 0.00 0.00 0.00 0.00 179.25 179.43 1trv h ALA 18 N 2.07 0.90 0.00 0.00 0.00 -1.23 -3.48 119.26 117.52 1trv h ALA 18 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 18 Cb 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1trv h ALA 18 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1trv n GLY 19 N -0.57 1.49 0.00 0.00 0.00 -1.15 -3.75 105.19 101.21 1trv n GLY 19 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 3.98 0.02 -4.80 1.61 2.03 -1.26 -4.56 116.55 113.57 1trv n ASP 20 Ca 0.00 -1.01 -0.29 0.00 0.52 0.00 0.00 54.79 54.02 1trv n ASP 20 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.01 1.32 0.82 -0.67 1.02 -1.25 -4.64 119.74 116.34 1trv s LYS 21 Ca 0.00 0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 1trv s LYS 21 Cb 0.00 -1.86 0.09 0.00 -0.52 0.00 0.00 37.83 35.54 1trv s LYS 21 CO 0.00 -2.08 1.15 -1.17 -0.92 0.00 0.00 175.35 172.34 1trv s LEU 22 N -5.96 3.05 -0.28 3.17 0.20 -1.26 -4.52 118.68 113.08 1trv s LEU 22 Ca 0.63 2.16 -0.00 0.00 0.69 0.00 0.00 54.13 57.61 1trv s LEU 22 Cb -0.14 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.53 -2.58 0.32 -0.69 -0.29 0.00 0.00 176.35 173.64 1trv s VAL 23 N -2.49 -0.47 0.55 1.68 1.01 -0.52 -3.11 120.40 117.05 1trv s VAL 23 Ca 0.68 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1trv s VAL 23 Cb -0.23 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1trv s VAL 23 CO 0.53 -0.39 0.80 -0.69 0.00 0.00 0.00 175.10 175.35 1trv s VAL 24 N 2.41 3.25 0.02 2.92 1.01 -0.45 -0.25 120.40 129.32 1trv s VAL 24 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1trv s VAL 24 Cb -0.14 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1trv s VAL 24 CO -0.30 -0.21 0.01 -0.69 0.00 0.00 0.00 175.10 173.91 1trv s VAL 25 N -2.81 0.12 -0.23 2.92 1.01 -0.57 -2.53 120.40 118.31 1trv s VAL 25 Ca 0.54 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1trv s VAL 25 Cb -0.10 -0.44 0.06 0.00 0.00 0.00 0.00 36.38 35.90 1trv s VAL 25 CO 0.40 -0.53 -0.07 -0.62 0.00 0.00 0.00 175.10 174.29 1trv s ASP 26 N -1.61 3.77 -0.49 3.32 2.15 -1.03 -2.93 116.67 119.84 1trv s ASP 26 Ca -0.13 -1.12 -0.15 0.00 0.43 0.00 0.00 52.55 51.58 1trv s ASP 26 Cb -0.08 -1.21 0.10 0.00 -0.30 0.00 0.00 42.92 41.43 1trv s ASP 26 CO -0.02 -0.21 0.42 -0.36 -0.17 0.00 0.00 175.17 174.84 1trv s PHE 27 N 1.38 3.26 0.15 -5.34 0.40 -0.05 -1.48 117.98 116.30 1trv s PHE 27 Ca -0.05 -1.16 0.00 0.00 -0.60 0.00 0.00 56.93 55.12 1trv s PHE 27 Cb -0.18 -3.41 0.00 0.00 0.51 0.00 0.00 43.02 39.94 1trv s PHE 27 CO -0.07 -0.90 0.03 0.43 0.70 0.00 0.00 175.22 175.42 1trv n SER 28 N 5.18 2.19 -3.68 1.36 7.64 -1.16 -1.65 113.62 123.50 1trv n SER 28 Ca -0.13 -1.63 -0.27 0.00 1.01 0.00 0.00 58.87 57.86 1trv n SER 28 Cb 0.42 0.08 -0.17 0.00 -1.01 0.00 0.00 64.21 63.53 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 -2.25 0.74 0.01 -0.43 0.00 -1.15 -2.93 121.76 115.74 1trv s ALA 29 Ca 0.02 -0.53 -0.25 0.00 0.00 0.00 0.00 51.96 51.20 1trv s ALA 29 Cb -0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 23.12 21.82 1trv s ALA 29 CO 0.01 -1.18 1.35 0.00 0.00 0.00 0.00 175.76 175.94 1trv h THR 30 N 6.47 1.13 -0.31 0.00 1.03 -1.96 -2.48 112.91 116.79 1trv h THR 30 Ca -0.16 -0.77 0.09 0.00 -0.01 0.00 0.00 66.41 65.56 1trv h THR 30 Cb 1.13 1.63 -0.01 0.00 -1.07 0.00 0.00 68.15 69.83 1trv h THR 30 CO 0.32 0.19 0.54 4.11 -0.01 0.00 0.00 175.52 180.66 1trv h TRP 31 N -0.46 0.00 -3.57 0.00 5.08 -1.95 -3.40 115.95 111.65 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 0.39 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.55 1trv h TRP 31 CO 0.04 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.24 1trv n GLY 33 N -1.01 -0.65 0.21 0.00 0.00 -1.26 -4.33 105.19 98.15 1trv n GLY 33 Ca 0.01 -0.06 -0.02 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 -0.33 0.31 -1.66 1.61 0.11 -1.96 -0.54 132.00 129.53 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 31.23 1trv h PRO 34 CO 0.00 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.00 1trv n LYS 36 N 1.17 0.00 0.00 0.00 4.81 -0.22 -2.94 118.16 120.98 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 0.36 -0.49 0.50 0.00 0.02 0.00 0.00 35.03 35.42 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 -0.66 0.47 -0.24 1.64 0.00 -1.12 -1.97 117.12 115.24 1trv n MET 37 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 57.70 57.85 1trv n MET 37 Cb 0.00 -1.50 0.26 0.00 0.00 0.00 0.00 33.22 31.98 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 -1.08 0.63 0.09 3.17 5.41 -1.26 -4.32 119.36 122.00 1trv n ILE 38 Ca 0.12 -0.79 -0.04 0.00 1.00 0.00 0.00 62.75 63.04 1trv n ILE 38 Cb 0.08 0.78 -0.07 0.00 -0.71 0.00 0.00 39.64 39.72 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 4.25 0.00 0.00 0.38 2.10 -1.75 -3.16 116.57 118.40 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 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1trv h LYS 39 CO 0.00 0.81 0.00 -0.35 -2.00 0.00 0.00 179.45 177.91 1trv n PRO 40 N -3.29 0.11 -0.07 0.07 -0.05 -1.26 -1.22 135.00 129.29 1trv n PRO 40 Ca 0.00 0.39 -0.04 0.00 -0.05 0.00 0.00 63.50 63.79 1trv n PRO 40 Cb 0.87 -1.73 -0.02 0.00 -0.05 0.00 0.00 33.50 32.57 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 -0.30 0.54 0.04 -1.84 -3.12 116.94 112.25 1trv h PHE 41 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1trv h PHE 41 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1trv h PHE 41 CO 0.00 0.11 0.19 0.35 -0.60 0.00 0.00 178.31 178.37 1trv h PHE 42 N -1.00 0.37 0.00 -0.55 3.57 -1.56 -2.02 116.94 115.74 1trv h PHE 42 Ca -0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1trv h PHE 42 Cb 0.42 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1trv h PHE 42 CO -0.12 0.23 -0.09 1.25 -2.23 0.00 0.00 178.31 177.34 1trv h HIS 43 N 0.40 0.00 -0.09 0.41 2.76 -1.36 -1.62 115.15 115.65 1trv h HIS 43 Ca 0.11 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.19 1trv h HIS 43 Cb -0.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1trv h HIS 43 CO -0.06 0.09 -0.38 0.66 -1.30 0.00 0.00 177.93 176.94 1trv h SER 44 N 0.00 0.19 -0.36 3.26 4.64 -1.30 -2.49 113.55 117.48 1trv h SER 44 Ca -0.00 -0.07 0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1trv h SER 44 Cb 0.18 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1trv h SER 44 CO 0.01 0.56 0.26 -0.07 -0.87 0.00 0.00 176.83 176.72 1trv h LEU 45 N 0.16 0.04 -0.92 5.97 3.38 -1.10 -1.55 115.31 121.29 1trv h LEU 45 Ca 0.02 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.16 1trv h LEU 45 Cb 0.75 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.39 1trv h LEU 45 CO 0.06 0.03 0.51 0.28 0.09 0.00 0.00 178.44 179.40 1trv h SER 46 N 0.05 0.62 0.89 -0.43 0.02 -1.53 0.25 113.55 113.42 1trv h SER 46 Ca 0.17 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1trv h SER 46 Cb 0.62 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1trv h SER 46 CO -0.01 0.22 -1.13 -0.62 -1.14 0.00 0.00 176.83 174.15 1trv n GLU 47 N -4.84 0.61 0.07 3.45 1.02 -0.61 -3.84 120.64 116.49 1trv n GLU 47 Ca 0.20 0.13 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 1trv n GLU 47 Cb 0.51 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 1trv n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1trv h LYS 48 N 0.00 0.22 -2.40 3.49 3.64 -0.94 -3.39 116.57 117.19 1trv h LYS 48 Ca -0.03 -0.37 -0.60 0.00 -1.27 0.00 0.00 60.65 58.37 1trv h LYS 48 Cb 1.11 0.14 -0.42 0.00 -0.41 0.00 0.00 32.23 32.65 1trv h LYS 48 CO 0.01 1.10 -0.62 0.66 -2.27 0.00 0.00 179.45 178.32 1trv n TYR 49 N -3.44 3.24 0.80 1.91 4.01 0.78 -4.88 117.16 119.58 1trv n TYR 49 Ca -0.13 -4.14 0.05 0.00 -0.16 0.00 0.00 57.90 53.52 1trv n TYR 49 Cb 1.03 -0.55 0.32 0.00 -0.31 0.00 0.00 39.34 39.83 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 1.18 0.00 -1.37 7.72 3.41 -1.25 -1.63 113.62 121.68 1trv n SER 50 Ca 0.27 -0.47 0.11 0.00 -0.26 0.00 0.00 58.87 58.52 1trv n SER 50 Cb 0.40 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.68 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 4.01 -4.17 4.04 5.15 -1.26 -4.91 115.26 117.20 1trv n ASN 51 Ca 0.08 -2.09 -0.19 0.00 -0.60 0.00 0.00 54.58 51.78 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 -1.21 1.12 -0.30 3.44 1.01 -0.65 -4.73 120.40 119.08 1trv s VAL 52 Ca 0.48 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1trv s VAL 52 Cb 0.26 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1trv s VAL 52 CO 0.31 -0.19 0.25 -0.63 0.00 0.00 0.00 175.10 174.84 1trv s ILE 53 N -1.21 5.27 -0.13 2.22 -1.09 -1.18 -4.80 121.20 120.28 1trv s ILE 53 Ca -0.01 0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.49 1trv s ILE 53 Cb -0.10 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1trv s ILE 53 CO 0.02 0.13 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.46 1trv s PHE 54 N 1.82 3.02 0.38 3.97 0.08 -1.26 -1.34 117.98 124.64 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 -0.16 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 1trv s PHE 54 CO 0.11 0.07 0.21 -0.51 -0.10 0.00 0.00 175.22 175.01 1trv s LEU 55 N 0.03 3.26 -0.21 -0.37 1.02 -1.05 -2.88 118.68 118.48 1trv s LEU 55 Ca 0.00 -0.85 -0.04 0.00 0.02 0.00 0.00 54.13 53.26 1trv s LEU 55 Cb -0.13 -1.74 0.08 0.00 0.02 0.00 0.00 46.19 44.41 1trv s LEU 55 CO 0.03 -0.45 0.12 -0.70 0.02 0.00 0.00 176.35 175.37 1trv s GLU 56 N -3.93 0.12 0.11 1.70 2.12 -0.48 -2.45 118.70 115.90 1trv s GLU 56 Ca 0.41 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.60 1trv s GLU 56 Cb -0.01 -1.52 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 1trv s GLU 56 CO 0.24 -0.78 0.08 0.08 -0.54 0.00 0.00 175.26 174.34 1trv s VAL 57 N 2.16 4.39 -0.18 3.70 1.01 -0.55 -1.76 120.40 129.17 1trv s VAL 57 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1trv s VAL 57 Cb -0.16 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1trv s VAL 57 CO -0.18 0.04 -0.18 -0.62 0.00 0.00 0.00 175.10 174.15 1trv s ASP 58 N -2.64 3.28 0.00 3.32 2.15 -1.26 -3.00 116.67 118.53 1trv s ASP 58 Ca 0.29 -0.62 0.05 0.00 0.43 0.00 0.00 52.55 52.70 1trv s ASP 58 Cb -0.11 -1.51 0.28 0.00 -0.30 0.00 0.00 42.92 41.28 1trv s ASP 58 CO 0.22 -0.00 0.65 1.33 -0.17 0.00 0.00 175.17 177.20 1trv n VAL 59 N 4.64 0.00 -0.04 1.11 0.24 -1.15 0.08 118.33 123.21 1trv n VAL 59 Ca -0.21 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 1trv n VAL 59 Cb 0.50 -0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 32.17 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -0.79 1.84 0.02 -1.34 9.92 -1.26 -4.01 116.55 120.91 1trv n ASP 60 Ca 0.04 0.04 -0.13 0.00 -0.53 0.00 0.00 54.79 54.20 1trv n ASP 60 Cb 0.02 -0.21 -0.14 0.00 -0.64 0.00 0.00 41.12 40.15 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 -0.18 0.20 -0.41 -2.24 3.58 -1.89 -3.36 116.42 112.12 1trv h ASP 61 Ca -0.22 -0.36 -0.26 0.00 0.42 0.00 0.00 57.03 56.62 1trv h ASP 61 Cb 1.25 -0.06 -0.17 0.00 1.72 0.00 0.00 39.33 42.06 1trv h ASP 61 CO -0.09 1.31 -0.31 0.00 -2.88 0.00 0.00 179.24 177.27 1trv n ALA 62 N -2.66 4.49 0.10 -0.78 0.00 0.11 -4.73 120.51 117.04 1trv n ALA 62 Ca -0.18 -3.38 0.05 0.00 0.00 0.00 0.00 53.44 49.93 1trv n ALA 62 Cb 1.04 -0.61 0.28 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.01 0.07 -0.02 0.00 0.00 -1.11 -0.60 117.38 114.71 1trv n GLN 63 Ca 0.34 0.52 -0.09 0.00 0.00 0.00 0.00 57.00 57.77 1trv n GLN 63 Cb 0.91 -1.88 0.06 0.00 0.00 0.00 0.00 30.24 29.33 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 0.66 0.63 2.61 2.03 -1.89 -2.36 116.42 118.10 1trv h ASP 64 Ca 0.00 -0.32 -0.27 0.00 -0.73 0.00 0.00 57.03 55.71 1trv h ASP 64 Cb 0.31 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1trv h ASP 64 CO 0.00 1.03 -1.21 0.58 -1.03 0.00 0.00 179.24 178.61 1trv h VAL 65 N 0.49 1.50 -0.26 4.15 2.07 -1.18 -3.23 116.25 119.80 1trv h VAL 65 Ca 0.03 -3.03 -0.03 0.00 0.82 0.00 0.00 66.70 64.48 1trv h VAL 65 Cb 1.00 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 1trv h VAL 65 CO 0.09 0.89 0.02 0.00 0.02 0.00 0.00 177.57 178.59 1trv h ALA 66 N 0.61 1.55 -0.12 1.67 0.00 -1.45 -1.66 119.26 119.86 1trv h ALA 66 Ca -0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1trv h ALA 66 Cb 1.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1trv h ALA 66 CO 0.20 0.33 -0.18 1.03 0.00 0.00 0.00 179.25 180.63 1trv h SER 67 N 0.38 0.19 0.72 0.00 0.87 -1.44 0.70 113.55 114.97 1trv h SER 67 Ca 0.09 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1trv h SER 67 Cb 0.22 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1trv h SER 67 CO 0.00 0.39 -0.37 -0.08 -0.53 0.00 0.00 176.83 176.25 1trv h GLU 68 N 0.19 -0.96 -0.00 2.24 4.57 -1.37 -2.29 114.58 116.95 1trv h GLU 68 Ca 0.04 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1trv h GLU 68 Cb 0.44 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1trv h GLU 68 CO 0.03 -0.64 -0.07 0.00 -1.18 0.00 0.00 179.01 177.15 1trv n ALA 69 N -2.55 2.62 -3.28 2.92 0.00 -1.15 -4.95 120.51 114.13 1trv n ALA 69 Ca -0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1trv n ALA 69 Cb 0.41 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.22 -1.46 -2.78 0.00 2.13 0.24 -4.88 120.64 112.67 1trv n GLU 70 Ca 0.13 1.18 -0.43 0.00 0.66 0.00 0.00 57.16 58.70 1trv n GLU 70 Cb 0.27 -4.98 -0.04 0.00 0.27 0.00 0.00 31.44 26.96 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1trv s VAL 71 N -3.09 4.28 -0.23 6.31 1.01 -0.86 -4.84 120.40 122.97 1trv s VAL 71 Ca 0.11 0.35 0.14 0.00 0.00 0.00 0.00 61.98 62.57 1trv s VAL 71 Cb -0.02 -4.61 0.60 0.00 0.00 0.00 0.00 36.38 32.34 1trv s VAL 71 CO 0.79 -1.22 1.53 0.29 0.00 0.00 0.00 175.10 176.49 1trv n LYS 72 N 7.76 3.08 -3.20 2.72 4.76 -1.26 -4.82 118.16 127.19 1trv n LYS 72 Ca 0.03 -2.98 -0.00 0.00 -2.87 0.00 0.00 58.31 52.48 1trv n LYS 72 Cb 0.48 -1.95 -0.02 0.00 -1.84 0.00 0.00 35.03 31.69 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 -2.93 -2.02 0.13 7.82 0.00 -1.26 -5.15 121.76 118.34 1trv s ALA 73 Ca 0.46 0.66 0.02 0.00 0.00 0.00 0.00 51.96 53.11 1trv s ALA 73 Cb 0.38 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1trv s ALA 73 CO 0.09 -1.87 0.24 0.95 0.00 0.00 0.00 175.76 175.16 1trv s THR 74 N 2.58 5.17 0.73 0.00 -4.23 -1.26 -4.17 115.64 114.46 1trv s THR 74 Ca 0.11 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 1trv s THR 74 Cb -0.10 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1trv s THR 74 CO -0.24 -0.03 1.08 -2.16 -0.54 0.00 0.00 174.62 172.73 1trv s PRO 75 N -3.01 2.68 -0.02 3.99 0.04 -1.26 -4.91 135.00 132.50 1trv s PRO 75 Ca 0.34 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1trv s PRO 75 Cb -0.11 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.46 1trv s PRO 75 CO 0.27 -1.21 0.24 0.99 0.04 0.00 0.00 177.00 177.33 1trv s THR 76 N -3.17 0.06 0.03 1.26 2.01 -0.66 -3.26 115.64 111.90 1trv s THR 76 Ca 0.59 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1trv s THR 76 Cb -0.13 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1trv s THR 76 CO 0.54 -0.26 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.65 1trv s PHE 77 N -1.11 1.72 0.02 4.92 0.40 -0.89 -0.87 117.98 122.17 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 -0.06 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1trv s PHE 77 CO 0.03 0.06 -0.15 -0.65 0.70 0.00 0.00 175.22 175.20 1trv s GLN 78 N -0.99 1.12 -0.35 0.44 -0.21 -1.15 -2.01 119.66 116.51 1trv s GLN 78 Ca 0.07 -0.68 -0.08 0.00 0.02 0.00 0.00 55.36 54.69 1trv s GLN 78 Cb -0.08 -1.12 0.03 0.00 1.00 0.00 0.00 33.01 32.84 1trv s GLN 78 CO 0.01 0.29 0.14 -0.06 -2.12 0.00 0.00 175.29 173.56 1trv s PHE 79 N -0.61 3.24 0.14 0.91 0.40 0.10 -1.52 117.98 120.65 1trv s PHE 79 Ca 0.04 -1.19 0.06 0.00 -0.60 0.00 0.00 56.93 55.25 1trv s PHE 79 Cb -0.07 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1trv s PHE 79 CO 0.00 -0.68 -0.00 -0.06 0.70 0.00 0.00 175.22 175.18 1trv s PHE 80 N 1.47 2.89 -0.19 0.36 0.08 0.66 -2.10 117.98 121.16 1trv s PHE 80 Ca 0.00 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.86 1trv s PHE 80 Cb -0.19 -1.44 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1trv s PHE 80 CO 0.04 0.50 0.44 0.21 -0.10 0.00 0.00 175.22 176.31 1trv s LYS 81 N -2.70 0.42 -1.25 0.44 2.20 -0.75 -1.44 119.74 116.66 1trv s LYS 81 Ca 0.27 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1trv s LYS 81 Cb -0.10 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1trv s LYS 81 CO 0.18 -0.17 0.00 1.63 -0.36 0.00 0.00 175.35 176.63 1trv n LYS 82 N 4.48 -1.71 -2.09 4.03 5.02 -1.26 0.77 118.16 127.40 1trv n LYS 82 Ca -0.20 0.70 -0.04 0.00 -2.02 0.00 0.00 58.31 56.74 1trv n LYS 82 Cb 0.55 -5.11 -0.00 0.00 -0.02 0.00 0.00 35.03 30.44 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 -0.51 0.19 2.89 0.72 0.00 -1.26 -5.03 105.19 102.19 1trv n GLY 83 Ca -0.14 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.23 1.21 0.06 1.61 -1.52 0.23 -5.11 119.66 111.92 1trv s GLN 84 Ca 0.00 -0.17 -0.31 0.00 -1.95 0.00 0.00 55.36 52.94 1trv s GLN 84 Cb -0.00 -1.28 -0.08 0.00 -0.22 0.00 0.00 33.01 31.43 1trv s GLN 84 CO 0.00 -0.20 1.60 0.21 -0.25 0.00 0.00 175.29 176.66 1trv s LYS 85 N 1.47 4.21 -0.00 2.91 2.20 -1.26 -1.80 119.74 127.46 1trv s LYS 85 Ca -0.01 2.27 0.02 0.00 -0.36 0.00 0.00 55.97 57.89 1trv s LYS 85 Cb -0.13 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1trv s LYS 85 CO -0.04 -0.70 0.05 1.33 -0.36 0.00 0.00 175.35 175.63 1trv n VAL 86 N 4.67 0.00 -3.58 4.02 0.24 -0.89 -4.97 118.33 117.83 1trv n VAL 86 Ca 0.15 -0.08 -0.05 0.00 -2.04 0.00 0.00 64.34 62.33 1trv n VAL 86 Cb 0.41 0.49 -0.02 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.18 -0.34 -0.03 7.63 0.00 -1.20 -5.03 107.32 106.17 1trv s GLY 87 Ca -0.01 1.34 -0.30 0.00 0.00 0.00 0.00 44.72 45.75 1trv s GLY 87 CO 0.09 0.43 1.16 -1.83 0.00 0.00 0.00 173.10 172.96 1trv s GLU 88 N -2.61 0.57 -0.10 2.90 4.04 -1.26 0.01 118.70 122.24 1trv s GLU 88 Ca 0.09 -0.28 -0.31 0.00 0.04 0.00 0.00 54.97 54.50 1trv s GLU 88 Cb -0.01 0.22 0.12 0.00 0.02 0.00 0.00 34.13 34.48 1trv s GLU 88 CO -0.05 -0.26 1.03 -0.59 -1.84 0.00 0.00 175.26 173.55 1trv s PHE 89 N -2.66 -0.27 0.01 4.83 -0.12 -0.85 -4.99 117.98 113.93 1trv s PHE 89 Ca 0.11 0.23 0.05 0.00 -0.05 0.00 0.00 56.93 57.28 1trv s PHE 89 Cb 0.01 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1trv s PHE 89 CO -0.04 -0.38 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.05 1trv s SER 90 N -2.11 1.98 0.00 1.98 1.04 -1.26 -2.09 113.70 113.24 1trv s SER 90 Ca 0.06 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1trv s SER 90 Cb -0.01 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1trv s SER 90 CO -0.06 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1trv n GLY 91 N 2.34 4.03 1.43 7.32 0.00 -1.20 -4.95 105.19 114.15 1trv n GLY 91 Ca -0.16 -0.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.24 3.78 -3.29 4.61 0.00 -1.26 -4.64 120.51 118.47 1trv n ALA 92 Ca 0.00 -0.03 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 1trv n ALA 92 Cb 0.00 -1.01 -0.00 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 1.32 5.63 0.21 0.00 2.85 -1.26 -4.84 115.26 119.17 1trv n ASN 93 Ca 0.00 -3.12 0.13 0.00 -0.11 0.00 0.00 54.58 51.48 1trv n ASN 93 Cb 0.50 -1.34 0.73 0.00 1.24 0.00 0.00 39.78 40.91 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 6.36 0.00 -0.06 1.20 2.10 -1.98 -0.18 116.57 124.01 1trv h LYS 94 Ca 0.18 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.75 1trv h LYS 94 Cb 0.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1trv h LYS 94 CO 1.07 0.00 -0.35 0.93 -2.00 0.00 0.00 179.45 179.10 1trv h GLU 95 N 0.00 0.11 -0.18 0.07 4.39 -1.98 -2.52 114.58 114.47 1trv h GLU 95 Ca 0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1trv h GLU 95 Cb 0.25 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1trv h GLU 95 CO -0.00 0.45 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.03 1trv h LYS 96 N 0.09 0.26 -1.01 2.33 3.64 -1.43 -2.25 116.57 118.21 1trv h LYS 96 Ca 0.01 -0.05 0.25 0.00 -1.27 0.00 0.00 60.65 59.60 1trv h LYS 96 Cb 0.66 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1trv h LYS 96 CO 0.05 0.33 0.66 -0.07 -2.27 0.00 0.00 179.45 178.15 1trv h LEU 97 N 0.26 0.42 0.47 5.20 3.38 -1.49 0.34 115.31 123.88 1trv h LEU 97 Ca 0.06 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1trv h LEU 97 Cb 0.25 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1trv h LEU 97 CO 0.01 0.11 -0.22 -0.08 0.09 0.00 0.00 178.44 178.34 1trv h GLU 98 N 0.38 -0.60 -0.17 1.13 4.22 -1.56 0.14 114.58 118.13 1trv h GLU 98 Ca 0.56 0.04 0.05 0.00 0.08 0.00 0.00 59.36 60.09 1trv h GLU 98 Cb 1.45 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1trv h GLU 98 CO -0.25 -0.40 0.14 0.00 -2.18 0.00 0.00 179.01 176.32 1trv h ALA 99 N -1.66 1.95 -0.11 2.92 0.00 -1.49 -1.84 119.26 119.03 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 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1trv h ALA 99 CO 0.11 -0.23 -0.24 1.15 0.00 0.00 0.00 179.25 180.04 1trv h THR 100 N 0.00 1.39 -0.59 0.00 2.02 -0.07 -2.95 112.91 112.70 1trv h THR 100 Ca 0.08 -1.54 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1trv h THR 100 Cb 0.37 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 1trv h THR 100 CO -0.00 0.45 0.39 0.40 0.37 0.00 0.00 175.52 177.13 1trv h ILE 101 N -0.08 1.08 0.00 3.11 2.04 0.11 0.45 117.51 124.22 1trv h ILE 101 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1trv h ILE 101 Cb 0.84 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1trv h ILE 101 CO 0.05 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.13 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -0.99 -2.23 115.26 114.40 1trv n ASN 102 Ca 0.07 -0.88 -0.07 0.00 -0.60 0.00 0.00 54.58 53.11 1trv n ASN 102 Cb 0.13 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.48 1.20 4.57 0.08 -3.35 114.58 116.55 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 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1trv h GLU 103 CO 0.00 0.38 0.00 1.28 -1.18 0.00 0.00 179.01 179.49 1trv n LEU 104 N -4.75 4.90 0.00 1.64 4.77 -1.23 -5.13 117.00 117.21 1trv n LEU 104 Ca -0.05 -2.84 0.02 0.00 -0.03 0.00 0.00 56.01 53.11 1trv n LEU 104 Cb 0.21 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1trv n LEU 104 CO 0.16 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.78