#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 0.07 -0.17 3.17 1.01 -1.26 -4.19 120.40 119.04 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 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.96 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 -3.67 0.27 -0.06 2.72 2.20 -1.20 -5.02 119.74 115.00 1trv s LYS 3 Ca 0.39 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.57 1trv s LYS 3 Cb 0.04 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 1trv s LYS 3 CO 0.22 -0.24 1.02 -1.14 -0.36 0.00 0.00 175.35 174.85 1trv s GLN 4 N 2.25 4.47 -0.18 4.03 0.74 -1.26 -1.49 119.66 128.22 1trv s GLN 4 Ca -0.03 1.43 -0.18 0.00 0.05 0.00 0.00 55.36 56.63 1trv s GLN 4 Cb -0.11 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 1trv s GLN 4 CO -0.11 -0.22 0.51 0.42 -0.55 0.00 0.00 175.29 175.33 1trv s ILE 5 N 1.63 5.13 -0.09 -2.34 -1.09 -0.63 -4.94 121.20 118.87 1trv s ILE 5 Ca 0.50 0.95 0.14 0.00 -2.23 0.00 0.00 60.65 60.02 1trv s ILE 5 Cb -0.20 -3.83 -0.23 0.00 -1.58 0.00 0.00 42.46 36.62 1trv s ILE 5 CO 0.22 0.21 0.53 -0.62 -1.23 0.00 0.00 174.94 174.05 1trv n GLU 6 N 4.52 0.65 -0.08 2.79 1.02 -1.26 -4.48 120.64 123.80 1trv n GLU 6 Ca -0.05 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1trv n GLU 6 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -2.95 0.00 0.12 1.62 3.41 -1.26 -4.22 113.62 110.34 1trv n SER 7 Ca -0.20 -0.08 0.02 0.00 -0.26 0.00 0.00 58.87 58.36 1trv n SER 7 Cb 1.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.14 4.33 3.64 -1.94 -3.17 116.57 119.30 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 0.43 0.02 1.15 -2.27 0.00 0.00 179.45 178.78 1trv h THR 9 N 0.00 0.93 -0.18 1.00 2.02 -2.00 -0.57 112.91 114.11 1trv h THR 9 Ca -0.04 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 1trv h THR 9 Cb 1.41 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1trv h THR 9 CO 0.06 0.01 -0.37 0.00 0.37 0.00 0.00 175.52 175.59 1trv h ALA 10 N 1.10 1.04 -0.40 6.16 0.00 -1.98 -2.60 119.26 122.58 1trv h ALA 10 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1trv h ALA 10 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1trv h ALA 10 CO -0.09 0.60 0.26 0.35 0.00 0.00 0.00 179.25 180.37 1trv h PHE 11 N 0.33 0.50 0.22 0.00 3.57 -1.33 0.25 116.94 120.47 1trv h PHE 11 Ca 0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1trv h PHE 11 Cb 0.80 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1trv h PHE 11 CO 0.02 0.31 -0.11 0.37 -2.23 0.00 0.00 178.31 176.68 1trv h GLN 12 N 0.54 -0.29 0.00 1.11 4.15 -0.98 -2.25 115.11 117.39 1trv h GLN 12 Ca 0.15 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 1trv h GLN 12 Cb -0.06 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 1trv h GLN 12 CO -0.03 -0.06 -0.01 0.93 -1.93 0.00 0.00 178.83 177.72 1trv h GLU 13 N -0.48 0.00 -0.08 1.69 5.08 -1.29 -2.03 114.58 117.48 1trv h GLU 13 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1trv h GLU 13 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1trv h GLU 13 CO 0.05 0.01 -0.03 0.00 -1.00 0.00 0.00 179.01 178.05 1trv h ALA 14 N 1.99 0.11 0.00 3.43 0.00 0.06 -1.44 119.26 123.40 1trv h ALA 14 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 14 CO 0.00 -0.16 -0.15 -0.07 0.00 0.00 0.00 179.25 178.87 1trv h LEU 15 N -0.19 0.00 -0.15 0.00 3.38 -0.93 -1.60 115.31 115.83 1trv h LEU 15 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1trv h LEU 15 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1trv h LEU 15 CO 0.01 0.15 -0.37 -0.78 0.09 0.00 0.00 178.44 177.54 1trv h ASP 16 N 0.00 0.59 0.94 -0.43 1.82 -1.03 -3.08 116.42 115.22 1trv h ASP 16 Ca -0.00 -0.58 -0.05 0.00 -0.39 0.00 0.00 57.03 56.01 1trv h ASP 16 Cb 0.38 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1trv h ASP 16 CO 0.02 1.06 -0.25 0.00 -1.61 0.00 0.00 179.24 178.45 1trv h ALA 17 N 0.55 1.01 -0.55 -0.78 0.00 -0.87 -2.99 119.26 115.63 1trv h ALA 17 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1trv h ALA 17 Cb 0.98 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1trv h ALA 17 CO 0.08 0.32 0.09 0.00 0.00 0.00 0.00 179.25 179.73 1trv h ALA 18 N 1.75 1.11 0.00 0.00 0.00 -1.22 -3.47 119.26 117.43 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 0.79 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1trv h ALA 18 CO 0.03 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1trv n GLY 19 N -0.73 1.99 0.00 0.00 0.00 -1.13 -3.19 105.19 102.14 1trv n GLY 19 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 5.98 0.01 -4.81 1.61 2.03 -1.26 -4.53 116.55 115.58 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.01 1trv n ASP 20 Cb 0.00 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.51 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 1.62 0.78 -0.67 1.02 -1.19 -4.73 119.74 116.57 1trv s LYS 21 Ca 0.00 0.40 -0.13 0.00 0.02 0.00 0.00 55.97 56.26 1trv s LYS 21 Cb 0.00 -1.89 0.07 0.00 -0.52 0.00 0.00 37.83 35.49 1trv s LYS 21 CO 0.00 -1.89 1.17 -1.17 -0.92 0.00 0.00 175.35 172.54 1trv s LEU 22 N -5.87 3.16 -0.33 3.17 0.20 -1.26 -4.59 118.68 113.16 1trv s LEU 22 Ca 0.62 2.23 0.01 0.00 0.69 0.00 0.00 54.13 57.68 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 0.53 -2.43 0.34 -0.69 -0.29 0.00 0.00 176.35 173.81 1trv s VAL 23 N -2.29 -0.38 0.55 1.68 1.01 -0.89 -2.93 120.40 117.14 1trv s VAL 23 Ca 0.70 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1trv s VAL 23 Cb -0.25 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1trv s VAL 23 CO 0.50 -0.51 0.82 -0.69 0.00 0.00 0.00 175.10 175.21 1trv s VAL 24 N 1.96 3.50 0.01 2.92 1.01 -0.64 -0.78 120.40 128.38 1trv s VAL 24 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1trv s VAL 24 Cb -0.14 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1trv s VAL 24 CO -0.20 -0.31 0.01 -0.69 0.00 0.00 0.00 175.10 173.91 1trv s VAL 25 N -2.83 0.07 -0.26 2.92 1.01 -0.75 -2.38 120.40 118.17 1trv s VAL 25 Ca 0.53 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1trv s VAL 25 Cb -0.10 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.13 1trv s VAL 25 CO 0.42 -0.30 -0.10 -0.62 0.00 0.00 0.00 175.10 174.50 1trv s ASP 26 N -0.90 4.50 -0.54 3.32 2.15 -1.04 -2.91 116.67 121.25 1trv s ASP 26 Ca -0.10 -1.39 -0.16 0.00 0.43 0.00 0.00 52.55 51.34 1trv s ASP 26 Cb -0.06 -1.57 0.13 0.00 -0.30 0.00 0.00 42.92 41.12 1trv s ASP 26 CO -0.00 -0.20 0.50 -0.36 -0.17 0.00 0.00 175.17 174.94 1trv s PHE 27 N 1.12 3.26 0.09 -5.34 0.08 -0.46 -1.20 117.98 115.52 1trv s PHE 27 Ca -0.08 -1.32 0.01 0.00 0.12 0.00 0.00 56.93 55.65 1trv s PHE 27 Cb -0.20 -3.79 0.01 0.00 -0.57 0.00 0.00 43.02 38.46 1trv s PHE 27 CO -0.05 -1.02 0.04 0.43 -0.10 0.00 0.00 175.22 174.53 1trv n SER 28 N 5.22 1.58 -3.64 1.36 7.64 -1.15 -1.89 113.62 122.74 1trv n SER 28 Ca -0.13 -1.32 -0.28 0.00 1.01 0.00 0.00 58.87 58.14 1trv n SER 28 Cb 0.40 0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.46 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.13 0.90 0.07 -0.43 0.00 -1.04 -3.09 121.76 116.03 1trv s ALA 29 Ca 0.03 -1.05 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 1trv s ALA 29 Cb -0.00 -1.36 -0.17 0.00 0.00 0.00 0.00 23.12 21.60 1trv s ALA 29 CO 0.02 -1.49 1.62 0.00 0.00 0.00 0.00 175.76 175.91 1trv h THR 30 N 6.45 0.87 -0.50 0.00 1.03 -1.96 -1.46 112.91 117.35 1trv h THR 30 Ca -0.17 -0.17 0.14 0.00 -0.01 0.00 0.00 66.41 66.21 1trv h THR 30 Cb 1.05 0.97 -0.02 0.00 -1.07 0.00 0.00 68.15 69.08 1trv h THR 30 CO 0.41 0.04 0.63 4.11 -0.01 0.00 0.00 175.52 180.70 1trv h TRP 31 N -0.31 0.00 -3.52 0.00 5.08 -1.95 -3.39 115.95 111.84 1trv h TRP 31 Ca -0.02 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.44 1trv h TRP 31 Cb 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 1trv h TRP 31 CO -0.04 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.15 1trv n GLY 33 N -1.20 -0.62 0.17 0.00 0.00 -1.26 -4.31 105.19 97.97 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 -0.26 0.14 -1.58 1.61 0.11 -1.96 -0.65 132.00 129.41 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 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1trv h PRO 34 CO 0.00 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 177.88 1trv n LYS 36 N 1.03 0.00 0.00 0.00 4.81 -0.27 -2.49 118.16 121.24 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 0.33 -0.49 0.54 0.00 0.02 0.00 0.00 35.03 35.43 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 -0.72 0.53 -0.23 1.64 2.81 -1.07 -2.10 117.12 117.98 1trv n MET 37 Ca 0.00 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.03 1trv n MET 37 Cb 0.00 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.04 0.60 0.12 2.02 5.41 -1.26 -4.30 119.36 120.91 1trv n ILE 38 Ca 0.13 -0.78 0.04 0.00 1.00 0.00 0.00 62.75 63.15 1trv n ILE 38 Cb 0.08 0.83 0.02 0.00 -0.71 0.00 0.00 39.64 39.86 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 4.31 0.00 0.00 0.38 2.10 -1.78 -3.20 116.57 118.39 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 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1trv h LYS 39 CO 0.00 0.32 0.00 -0.35 -2.00 0.00 0.00 179.45 177.42 1trv n PRO 40 N -3.07 0.15 -0.06 0.07 -0.05 -1.26 -0.83 135.00 129.95 1trv n PRO 40 Ca -0.01 0.34 -0.04 0.00 -0.05 0.00 0.00 63.50 63.74 1trv n PRO 40 Cb 0.71 -1.76 -0.02 0.00 -0.05 0.00 0.00 33.50 32.38 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 -0.32 0.54 0.04 -1.84 -2.73 116.94 112.63 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 0.38 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1trv h PHE 41 CO 0.00 0.18 0.20 0.35 -0.60 0.00 0.00 178.31 178.45 1trv h PHE 42 N -1.00 0.40 0.00 -0.55 3.57 -1.57 -1.72 116.94 116.07 1trv h PHE 42 Ca -0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1trv h PHE 42 Cb 0.36 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1trv h PHE 42 CO -0.05 0.27 -0.11 1.25 -2.23 0.00 0.00 178.31 177.43 1trv h HIS 43 N 0.42 0.00 -0.25 0.41 2.76 -1.15 -1.88 115.15 115.45 1trv h HIS 43 Ca 0.12 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 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 -0.05 0.11 -0.28 1.03 -1.30 0.00 0.00 177.93 177.44 1trv h SER 44 N 0.00 0.50 -0.25 3.26 0.87 -0.99 -2.32 113.55 114.63 1trv h SER 44 Ca -0.00 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1trv h SER 44 Cb 0.22 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1trv h SER 44 CO 0.01 0.76 0.21 -0.07 -0.53 0.00 0.00 176.83 177.22 1trv h LEU 45 N 0.43 0.00 -0.85 2.23 3.38 -1.09 -1.80 115.31 117.61 1trv h LEU 45 Ca 0.06 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.21 1trv h LEU 45 Cb 0.71 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 1trv h LEU 45 CO 0.05 0.00 0.38 0.28 0.09 0.00 0.00 178.44 179.25 1trv h SER 46 N 0.00 0.37 0.86 -0.43 0.02 -1.49 0.27 113.55 113.16 1trv h SER 46 Ca 0.12 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1trv h SER 46 Cb 0.54 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1trv h SER 46 CO -0.00 0.09 -0.80 -0.33 -1.14 0.00 0.00 176.83 174.64 1trv h GLU 47 N 0.47 0.00 0.10 3.45 4.39 -1.51 -3.28 114.58 118.20 1trv h GLU 47 Ca 0.50 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.91 1trv h GLU 47 Cb 0.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 1trv h GLU 47 CO -0.46 0.00 -1.47 -0.22 -1.16 0.00 0.00 179.01 175.70 1trv h LYS 48 N 0.00 0.22 -2.45 2.33 1.63 -0.82 -3.39 116.57 114.08 1trv h LYS 48 Ca 0.00 -0.37 -0.60 0.00 -0.85 0.00 0.00 60.65 58.83 1trv h LYS 48 Cb 0.83 0.14 -0.41 0.00 -0.60 0.00 0.00 32.23 32.19 1trv h LYS 48 CO 0.00 1.08 -0.66 0.66 -3.45 0.00 0.00 179.45 177.08 1trv n TYR 49 N -3.43 2.85 0.76 1.91 4.01 0.74 -4.89 117.16 119.12 1trv n TYR 49 Ca -0.14 -4.09 0.05 0.00 -0.16 0.00 0.00 57.90 53.55 1trv n TYR 49 Cb 1.03 -0.51 0.30 0.00 -0.31 0.00 0.00 39.34 39.85 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 1.36 0.00 -1.31 7.72 3.41 -1.25 -1.52 113.62 122.02 1trv n SER 50 Ca 0.26 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1trv n SER 50 Cb 0.41 0.00 0.31 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 3.81 -4.20 4.04 5.15 -1.26 -4.91 115.26 116.97 1trv n ASN 51 Ca 0.08 -2.01 -0.18 0.00 -0.60 0.00 0.00 54.58 51.86 1trv n ASN 51 Cb 0.03 -0.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.69 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 -1.07 1.20 -0.32 3.44 1.01 -0.58 -4.70 120.40 119.38 1trv s VAL 52 Ca 0.47 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1trv s VAL 52 Cb 0.25 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1trv s VAL 52 CO 0.32 -0.32 0.19 -0.63 0.00 0.00 0.00 175.10 174.66 1trv s ILE 53 N -1.72 5.01 -0.15 2.22 -1.09 -1.15 -4.78 121.20 119.54 1trv s ILE 53 Ca 0.03 -0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1trv s ILE 53 Cb -0.07 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1trv s ILE 53 CO 0.02 0.07 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.41 1trv s PHE 54 N 1.69 3.03 0.41 3.97 0.08 -1.26 -1.62 117.98 124.28 1trv s PHE 54 Ca 0.06 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 56.91 1trv s PHE 54 Cb -0.17 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1trv s PHE 54 CO 0.09 -0.00 0.31 -0.51 -0.10 0.00 0.00 175.22 175.00 1trv s LEU 55 N 0.27 3.30 -0.23 -0.37 1.02 -1.00 -3.21 118.68 118.46 1trv s LEU 55 Ca -0.03 -0.86 -0.04 0.00 0.02 0.00 0.00 54.13 53.22 1trv s LEU 55 Cb -0.14 -1.84 0.09 0.00 0.02 0.00 0.00 46.19 44.32 1trv s LEU 55 CO 0.03 -0.61 0.17 -0.70 0.02 0.00 0.00 176.35 175.26 1trv s GLU 56 N -4.05 0.17 0.08 1.70 2.12 -0.56 -2.48 118.70 115.69 1trv s GLU 56 Ca 0.45 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.68 1trv s GLU 56 Cb -0.01 -1.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 1trv s GLU 56 CO 0.26 -0.82 0.07 0.08 -0.54 0.00 0.00 175.26 174.31 1trv s VAL 57 N 2.21 4.46 -0.19 3.70 1.01 -0.34 -1.60 120.40 129.65 1trv s VAL 57 Ca 0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1trv s VAL 57 Cb -0.16 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1trv s VAL 57 CO -0.21 0.13 -0.12 -0.62 0.00 0.00 0.00 175.10 174.27 1trv s ASP 58 N -2.37 3.71 0.00 3.32 2.15 -1.26 -2.94 116.67 119.28 1trv s ASP 58 Ca 0.29 -0.51 0.08 0.00 0.43 0.00 0.00 52.55 52.83 1trv s ASP 58 Cb -0.12 -1.60 0.42 0.00 -0.30 0.00 0.00 42.92 41.31 1trv s ASP 58 CO 0.21 0.00 0.99 1.33 -0.17 0.00 0.00 175.17 177.54 1trv n VAL 59 N 4.62 0.37 -0.10 1.11 0.24 -1.18 0.16 118.33 123.55 1trv n VAL 59 Ca -0.20 0.09 -0.18 0.00 -2.04 0.00 0.00 64.34 62.02 1trv n VAL 59 Cb 0.51 -0.97 -0.08 0.00 -1.47 0.00 0.00 33.84 31.82 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -1.12 1.93 0.02 -1.34 9.92 -1.26 -3.78 116.55 120.91 1trv n ASP 60 Ca 0.05 0.09 -0.11 0.00 -0.53 0.00 0.00 54.79 54.28 1trv n ASP 60 Cb 0.04 -0.47 -0.14 0.00 -0.64 0.00 0.00 41.12 39.92 1trv n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trv h ASP 61 N -0.40 0.13 -0.61 -2.24 1.82 -1.89 -3.35 116.42 109.88 1trv h ASP 61 Ca -0.48 -0.22 -0.42 0.00 -0.39 0.00 0.00 57.03 55.52 1trv h ASP 61 Cb 1.55 -0.04 -0.27 0.00 0.68 0.00 0.00 39.33 41.25 1trv h ASP 61 CO -0.20 1.19 -0.28 0.00 -1.61 0.00 0.00 179.24 178.34 1trv n ALA 62 N -2.59 4.94 0.16 -0.78 0.00 0.12 -4.73 120.51 117.64 1trv n ALA 62 Ca -0.15 -3.51 0.08 0.00 0.00 0.00 0.00 53.44 49.86 1trv n ALA 62 Cb 1.03 -0.70 0.44 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.91 0.11 -0.07 0.00 -0.00 -1.21 -0.67 117.38 114.64 1trv n GLN 63 Ca 0.42 0.59 -0.14 0.00 -0.00 0.00 0.00 57.00 57.88 1trv n GLN 63 Cb 0.92 -2.04 -0.02 0.00 -0.00 0.00 0.00 30.24 29.10 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 0.91 0.78 2.61 3.04 -1.90 -2.45 116.42 119.41 1trv h ASP 64 Ca 0.00 -0.48 -0.25 0.00 -3.24 0.00 0.00 57.03 53.07 1trv h ASP 64 Cb 0.38 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.40 1trv h ASP 64 CO 0.00 1.26 -1.13 0.58 -2.04 0.00 0.00 179.24 177.91 1trv h VAL 65 N 0.64 1.59 -0.65 4.15 2.07 -1.22 -3.25 116.25 119.58 1trv h VAL 65 Ca 0.02 -3.19 -0.03 0.00 0.82 0.00 0.00 66.70 64.32 1trv h VAL 65 Cb 1.12 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.75 1trv h VAL 65 CO 0.12 0.92 0.27 0.00 0.02 0.00 0.00 177.57 178.90 1trv h ALA 66 N 0.76 1.26 0.00 1.67 0.00 -1.44 -1.57 119.26 119.94 1trv h ALA 66 Ca -0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1trv h ALA 66 Cb 1.87 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1trv h ALA 66 CO 0.17 0.55 -0.24 1.03 0.00 0.00 0.00 179.25 180.77 1trv h SER 67 N 0.93 0.00 0.24 0.00 0.87 -1.47 0.35 113.55 114.47 1trv h SER 67 Ca 0.22 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1trv h SER 67 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1trv h SER 67 CO -0.02 0.24 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.32 1trv h GLU 68 N 0.00 -0.31 -0.00 2.24 4.57 -1.32 -2.18 114.58 117.57 1trv h GLU 68 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1trv h GLU 68 Cb 0.43 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1trv h GLU 68 CO 0.03 -0.11 -0.05 0.00 -1.18 0.00 0.00 179.01 177.70 1trv n ALA 69 N -2.30 2.63 -3.46 2.92 0.00 -1.08 -4.93 120.51 114.28 1trv n ALA 69 Ca -0.09 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 52.92 1trv n ALA 69 Cb 0.19 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.09 -1.60 -2.81 0.00 1.02 0.12 -4.89 120.64 111.39 1trv n GLU 70 Ca 0.15 0.74 -0.43 0.00 -0.02 0.00 0.00 57.16 57.61 1trv n GLU 70 Cb 0.24 -4.82 -0.04 0.00 -0.02 0.00 0.00 31.44 26.81 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trv s VAL 71 N -3.36 4.39 -0.18 2.62 1.01 -0.91 -4.85 120.40 119.12 1trv s VAL 71 Ca 0.39 0.50 0.17 0.00 0.00 0.00 0.00 61.98 63.04 1trv s VAL 71 Cb -0.10 -4.52 0.56 0.00 0.00 0.00 0.00 36.38 32.32 1trv s VAL 71 CO 0.81 -1.03 1.45 0.29 0.00 0.00 0.00 175.10 176.62 1trv n LYS 72 N 7.43 3.10 -3.19 2.72 5.02 -1.26 -4.86 118.16 127.12 1trv n LYS 72 Ca 0.04 -2.88 0.01 0.00 -2.02 0.00 0.00 58.31 53.46 1trv n LYS 72 Cb 0.48 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.83 -2.07 0.14 7.82 0.00 -1.26 -5.16 121.76 118.40 1trv s ALA 73 Ca 0.43 1.10 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1trv s ALA 73 Cb 0.35 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1trv s ALA 73 CO 0.09 -1.65 0.21 0.95 0.00 0.00 0.00 175.76 175.36 1trv s THR 74 N 2.77 4.99 0.73 0.00 -4.23 -1.26 -4.19 115.64 114.45 1trv s THR 74 Ca 0.13 -0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 1trv s THR 74 Cb -0.12 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.22 1trv s THR 74 CO -0.25 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.71 1trv s PRO 75 N -3.01 2.62 0.01 3.99 0.04 -1.26 -4.93 135.00 132.45 1trv s PRO 75 Ca 0.33 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1trv s PRO 75 Cb -0.11 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1trv s PRO 75 CO 0.26 -1.25 0.24 0.99 0.04 0.00 0.00 177.00 177.28 1trv s THR 76 N -3.19 0.08 0.00 1.26 2.01 -0.79 -3.30 115.64 111.70 1trv s THR 76 Ca 0.59 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 62.02 1trv s THR 76 Cb -0.13 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 1trv s THR 76 CO 0.54 -0.35 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.59 1trv s PHE 77 N -1.67 1.55 0.02 4.92 0.08 -0.89 -1.36 117.98 120.63 1trv s PHE 77 Ca -0.12 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 56.68 1trv s PHE 77 Cb -0.05 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 1trv s PHE 77 CO 0.01 0.00 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.32 1trv s GLN 78 N -0.63 1.18 -0.33 0.44 -0.21 -1.15 -2.11 119.66 116.87 1trv s GLN 78 Ca 0.06 -0.74 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 1trv s GLN 78 Cb -0.07 -1.20 0.03 0.00 1.00 0.00 0.00 33.01 32.76 1trv s GLN 78 CO -0.00 0.31 0.12 -0.06 -2.12 0.00 0.00 175.29 173.54 1trv s PHE 79 N -0.66 3.21 0.12 0.91 0.40 0.10 -1.81 117.98 120.26 1trv s PHE 79 Ca 0.05 -1.17 0.06 0.00 -0.60 0.00 0.00 56.93 55.27 1trv s PHE 79 Cb -0.07 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1trv s PHE 79 CO 0.01 -0.66 -0.02 -0.06 0.70 0.00 0.00 175.22 175.19 1trv s PHE 80 N 1.47 2.89 -0.18 0.36 0.08 0.04 -1.79 117.98 120.85 1trv s PHE 80 Ca 0.01 -0.09 -0.08 0.00 0.12 0.00 0.00 56.93 56.89 1trv s PHE 80 Cb -0.19 -1.46 0.07 0.00 -0.57 0.00 0.00 43.02 40.87 1trv s PHE 80 CO 0.03 0.48 0.40 0.21 -0.10 0.00 0.00 175.22 176.24 1trv s LYS 81 N -2.48 0.34 -1.16 0.44 2.47 -0.39 -2.10 119.74 116.85 1trv s LYS 81 Ca 0.25 0.89 0.00 0.00 -1.56 0.00 0.00 55.97 55.55 1trv s LYS 81 Cb -0.11 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 1trv s LYS 81 CO 0.17 -0.21 0.00 1.63 0.16 0.00 0.00 175.35 177.10 1trv n LYS 82 N 4.84 -1.90 -1.56 4.03 5.02 -1.26 0.92 118.16 128.26 1trv n LYS 82 Ca -0.16 0.66 -0.02 0.00 -2.02 0.00 0.00 58.31 56.77 1trv n LYS 82 Cb 0.52 -5.14 -0.00 0.00 -0.02 0.00 0.00 35.03 30.39 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 -0.62 0.40 2.86 0.72 0.00 -1.26 -5.03 105.19 102.26 1trv n GLY 83 Ca -0.14 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.15 1.15 0.14 1.61 -0.21 0.26 -5.11 119.66 114.36 1trv s GLN 84 Ca 0.00 -0.12 -0.31 0.00 0.02 0.00 0.00 55.36 54.95 1trv s GLN 84 Cb 0.00 -1.31 -0.09 0.00 1.00 0.00 0.00 33.01 32.61 1trv s GLN 84 CO 0.00 -0.26 1.48 0.21 -2.12 0.00 0.00 175.29 174.61 1trv s LYS 85 N 1.71 4.27 0.00 2.91 2.20 -1.26 -1.26 119.74 128.30 1trv s LYS 85 Ca 0.03 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1trv s LYS 85 Cb -0.13 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1trv s LYS 85 CO -0.06 -0.52 0.00 1.33 -0.36 0.00 0.00 175.35 175.74 1trv n VAL 86 N 3.91 0.00 -3.52 4.02 0.24 -0.74 -4.94 118.33 117.30 1trv n VAL 86 Ca 0.13 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1trv n VAL 86 Cb 0.40 0.98 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.81 -0.42 -0.18 7.63 0.00 -1.20 -5.02 107.32 107.31 1trv s GLY 87 Ca 0.00 1.34 -0.31 0.00 0.00 0.00 0.00 44.72 45.74 1trv s GLY 87 CO 0.00 0.61 1.14 -1.83 0.00 0.00 0.00 173.10 173.02 1trv s GLU 88 N -2.32 0.40 -0.10 2.90 -1.05 -1.26 0.02 118.70 117.28 1trv s GLU 88 Ca 0.01 -0.01 -0.31 0.00 -0.15 0.00 0.00 54.97 54.51 1trv s GLU 88 Cb -0.01 0.19 0.12 0.00 -0.44 0.00 0.00 34.13 33.99 1trv s GLU 88 CO -0.04 -0.15 1.02 -0.59 0.95 0.00 0.00 175.26 176.46 1trv s PHE 89 N -1.69 -0.27 0.05 4.83 -0.12 -0.89 -5.00 117.98 114.87 1trv s PHE 89 Ca 0.05 0.26 0.07 0.00 -0.05 0.00 0.00 56.93 57.26 1trv s PHE 89 Cb -0.01 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1trv s PHE 89 CO -0.04 -0.38 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.02 1trv s SER 90 N -2.04 2.30 0.00 1.98 1.04 -1.26 -2.09 113.70 113.62 1trv s SER 90 Ca 0.05 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1trv s SER 90 Cb -0.01 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1trv s SER 90 CO -0.05 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1trv n GLY 91 N 1.81 4.21 1.46 7.32 0.00 -1.21 -4.95 105.19 113.83 1trv n GLY 91 Ca -0.17 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.33 3.88 -3.34 4.61 0.00 -1.26 -4.65 120.51 118.42 1trv n ALA 92 Ca 0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 1trv n ALA 92 Cb 0.00 -1.00 -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 1.41 5.49 0.23 0.00 2.85 -1.26 -4.84 115.26 119.14 1trv n ASN 93 Ca 0.00 -3.08 0.12 0.00 -0.11 0.00 0.00 54.58 51.52 1trv n ASN 93 Cb 0.50 -1.34 0.74 0.00 1.24 0.00 0.00 39.78 40.92 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 6.49 0.00 -0.10 1.20 2.10 -1.97 -0.51 116.57 123.78 1trv h LYS 94 Ca 0.18 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.74 1trv h LYS 94 Cb 0.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 1trv h LYS 94 CO 1.03 0.00 -0.35 0.93 -2.00 0.00 0.00 179.45 179.06 1trv h GLU 95 N 0.00 0.20 -0.08 0.07 5.08 -1.98 -2.58 114.58 115.28 1trv h GLU 95 Ca 0.04 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1trv h GLU 95 Cb 0.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1trv h GLU 95 CO -0.00 0.53 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.22 1trv h LYS 96 N 0.17 0.12 -0.90 2.33 3.64 -1.49 -2.12 116.57 118.31 1trv h LYS 96 Ca 0.02 -0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 1trv h LYS 96 Cb 0.71 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1trv h LYS 96 CO 0.05 0.23 0.61 -0.07 -2.27 0.00 0.00 179.45 178.00 1trv h LEU 97 N 0.12 0.29 0.44 5.20 3.38 -1.49 0.15 115.31 123.38 1trv h LEU 97 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1trv h LEU 97 Cb 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1trv h LEU 97 CO 0.01 0.11 -0.21 -0.08 0.09 0.00 0.00 178.44 178.36 1trv h GLU 98 N 0.28 -0.57 -0.29 1.13 4.57 -1.54 0.23 114.58 118.40 1trv h GLU 98 Ca 0.46 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.75 1trv h GLU 98 Cb 1.34 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.05 1trv h GLU 98 CO -0.13 -0.38 0.20 0.00 -1.18 0.00 0.00 179.01 177.52 1trv h ALA 99 N -1.64 2.15 -0.07 2.92 0.00 -1.56 -1.92 119.26 119.14 1trv h ALA 99 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1trv h ALA 99 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1trv h ALA 99 CO 0.10 -0.23 -0.15 1.15 0.00 0.00 0.00 179.25 180.12 1trv h THR 100 N 0.09 1.42 -0.18 0.00 2.02 -0.58 -3.03 112.91 112.65 1trv h THR 100 Ca 0.13 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.85 1trv h THR 100 Cb 0.41 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1trv h THR 100 CO -0.01 0.41 0.12 0.40 0.37 0.00 0.00 175.52 176.81 1trv h ILE 101 N -0.27 1.02 0.00 3.11 2.04 0.10 0.42 117.51 123.93 1trv h ILE 101 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1trv h ILE 101 Cb 0.74 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1trv h ILE 101 CO 0.03 0.04 0.00 -3.20 0.00 0.00 0.00 178.15 175.02 1trv n ASN 102 N -4.51 0.00 -0.04 1.72 2.85 -0.78 -1.95 115.26 112.54 1trv n ASN 102 Ca -0.00 -0.57 -0.10 0.00 -0.11 0.00 0.00 54.58 53.80 1trv n ASN 102 Cb 0.11 -0.09 -0.09 0.00 1.24 0.00 0.00 39.78 40.95 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1trv h GLU 103 N 0.00 -0.03 -0.46 1.20 4.81 -0.03 -3.35 114.58 116.71 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 0.07 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1trv h GLU 103 CO 0.00 0.61 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 1trv n LEU 104 N -4.71 4.57 0.00 1.64 4.77 -1.22 -5.14 117.00 116.92 1trv n LEU 104 Ca -0.07 -2.74 0.01 0.00 -0.03 0.00 0.00 56.01 53.18 1trv n LEU 104 Cb 0.31 -0.56 0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1trv n LEU 104 CO 0.24 0.70 0.33 0.55 -1.33 0.00 0.00 177.39 177.88