#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 0.00 -0.17 1.12 1.01 -1.26 -4.07 120.40 117.03 1trv s VAL 2 Ca 0.00 -1.99 -0.07 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 0.37 -0.75 0.00 0.00 0.00 175.10 174.72 1trv s LYS 3 N -4.15 0.30 -0.02 2.72 2.20 -1.20 -5.02 119.74 114.57 1trv s LYS 3 Ca 0.39 0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 1trv s LYS 3 Cb 0.07 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1trv s LYS 3 CO 0.12 -0.22 0.97 -1.14 -0.36 0.00 0.00 175.35 174.72 1trv s GLN 4 N 2.07 4.53 -0.11 4.03 0.74 -1.26 -1.35 119.66 128.31 1trv s GLN 4 Ca -0.04 1.39 -0.17 0.00 0.05 0.00 0.00 55.36 56.59 1trv s GLN 4 Cb -0.11 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1trv s GLN 4 CO -0.12 -0.09 0.44 0.42 -0.55 0.00 0.00 175.29 175.40 1trv s ILE 5 N 1.16 5.18 -0.11 -2.34 -1.09 -0.67 -4.93 121.20 118.41 1trv s ILE 5 Ca 0.51 0.88 0.08 0.00 -2.23 0.00 0.00 60.65 59.88 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 0.26 0.37 0.42 -0.62 -1.23 0.00 0.00 174.94 174.14 1trv n GLU 6 N 3.43 0.67 0.00 2.79 1.02 -1.26 -4.51 120.64 122.78 1trv n GLU 6 Ca -0.09 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1trv n GLU 6 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 -3.12 0.00 0.10 1.62 3.41 -1.26 -4.14 113.62 110.23 1trv n SER 7 Ca -0.26 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.33 1trv n SER 7 Cb 1.06 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.98 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 -0.12 4.33 3.64 -1.93 -3.00 116.57 119.49 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 0.74 0.02 1.15 -2.27 0.00 0.00 179.45 179.09 1trv h THR 9 N 0.00 0.94 -0.08 1.00 2.02 -2.00 -1.17 112.91 113.61 1trv h THR 9 Ca -0.01 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1trv h THR 9 Cb 1.55 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1trv h THR 9 CO 0.10 0.01 -0.43 0.00 0.37 0.00 0.00 175.52 175.57 1trv h ALA 10 N 1.09 1.12 -0.01 6.16 0.00 -1.97 -2.50 119.26 123.14 1trv h ALA 10 Ca 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1trv h ALA 10 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1trv h ALA 10 CO -0.08 0.60 -0.01 0.35 0.00 0.00 0.00 179.25 180.11 1trv h PHE 11 N 0.16 -0.03 -0.01 0.00 3.57 -1.20 0.42 116.94 119.85 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 0.84 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1trv h PHE 11 CO 0.01 -0.02 0.00 1.96 -2.23 0.00 0.00 178.31 178.03 1trv h GLN 12 N -0.02 0.01 -0.01 1.11 4.20 -1.16 -2.10 115.11 117.14 1trv h GLN 12 Ca 0.01 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1trv h GLN 12 Cb 0.03 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1trv h GLN 12 CO -0.02 0.18 -0.01 0.93 -0.67 0.00 0.00 178.83 179.24 1trv h GLU 13 N -0.16 0.02 -0.33 1.46 5.08 -1.27 -1.74 114.58 117.64 1trv h GLU 13 Ca 0.00 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1trv h GLU 13 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1trv h GLU 13 CO -0.00 0.02 -0.07 0.00 -1.00 0.00 0.00 179.01 177.96 1trv h ALA 14 N 1.98 0.46 0.00 3.43 0.00 0.37 -2.18 119.26 123.32 1trv h ALA 14 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1trv h ALA 14 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1trv h ALA 14 CO 0.00 0.29 -0.06 -0.07 0.00 0.00 0.00 179.25 179.41 1trv h LEU 15 N 0.43 0.00 -0.14 0.00 3.38 -0.69 -2.37 115.31 115.92 1trv h LEU 15 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1trv h LEU 15 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1trv h LEU 15 CO 0.03 0.06 -0.28 -0.78 0.09 0.00 0.00 178.44 177.57 1trv h ASP 16 N 0.00 0.48 1.04 -0.43 3.58 -0.76 -3.04 116.42 117.29 1trv h ASP 16 Ca -0.00 -0.56 -0.02 0.00 0.42 0.00 0.00 57.03 56.87 1trv h ASP 16 Cb 0.36 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1trv h ASP 16 CO 0.01 0.95 -0.10 0.00 -2.88 0.00 0.00 179.24 177.21 1trv h ALA 17 N 0.54 1.01 -0.29 -0.78 0.00 -1.11 -2.88 119.26 115.76 1trv h ALA 17 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1trv h ALA 17 Cb 0.87 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1trv h ALA 17 CO 0.06 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.34 1trv h ALA 18 N 1.90 1.29 0.00 0.00 0.00 -1.32 -3.47 119.26 117.66 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 0.65 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1trv h ALA 18 CO 0.01 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.15 1trv n GLY 19 N -0.70 1.82 0.00 0.00 0.00 -1.09 -3.48 105.19 101.73 1trv n GLY 19 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 6.10 0.00 -4.63 1.61 8.00 -1.26 -4.63 116.55 121.74 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1trv n ASP 20 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 0.94 0.81 -1.24 1.02 -1.23 -4.60 119.74 115.45 1trv s LYS 21 Ca 0.00 0.16 -0.12 0.00 0.02 0.00 0.00 55.97 56.03 1trv s LYS 21 Cb 0.00 -1.83 0.09 0.00 -0.52 0.00 0.00 37.83 35.57 1trv s LYS 21 CO 0.00 -2.31 1.16 -1.17 -0.92 0.00 0.00 175.35 172.11 1trv s LEU 22 N -6.06 3.07 -0.29 3.17 0.20 -1.26 -4.57 118.68 112.94 1trv s LEU 22 Ca 0.65 2.18 0.00 0.00 0.69 0.00 0.00 54.13 57.66 1trv s LEU 22 Cb -0.13 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.21 1trv s LEU 22 CO 0.53 -2.56 0.33 -0.69 -0.29 0.00 0.00 176.35 173.67 1trv s VAL 23 N -2.44 -0.48 0.53 1.68 1.01 -0.92 -3.08 120.40 116.70 1trv s VAL 23 Ca 0.69 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1trv s VAL 23 Cb -0.24 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 1trv s VAL 23 CO 0.52 -0.40 0.81 -0.69 0.00 0.00 0.00 175.10 175.34 1trv s VAL 24 N 2.42 4.04 -0.01 2.92 1.01 -0.46 -1.25 120.40 129.06 1trv s VAL 24 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1trv s VAL 24 Cb -0.13 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1trv s VAL 24 CO -0.32 -0.52 0.02 -0.69 0.00 0.00 0.00 175.10 173.60 1trv s VAL 25 N -2.81 -0.02 -0.36 2.92 1.01 -0.87 -2.16 120.40 118.11 1trv s VAL 25 Ca 0.51 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 1trv s VAL 25 Cb -0.10 -0.05 0.03 0.00 0.00 0.00 0.00 36.38 36.26 1trv s VAL 25 CO 0.43 0.04 0.15 -0.62 0.00 0.00 0.00 175.10 175.10 1trv s ASP 26 N 0.45 5.51 -0.60 3.32 2.15 -1.04 -2.73 116.67 123.73 1trv s ASP 26 Ca -0.04 -1.07 -0.15 0.00 0.43 0.00 0.00 52.55 51.72 1trv s ASP 26 Cb -0.05 -1.94 0.15 0.00 -0.30 0.00 0.00 42.92 40.77 1trv s ASP 26 CO -0.01 -0.35 0.56 -0.36 -0.17 0.00 0.00 175.17 174.83 1trv s PHE 27 N 1.48 3.37 0.00 -5.34 0.40 -0.51 -1.42 117.98 115.96 1trv s PHE 27 Ca 0.00 -1.46 0.00 0.00 -0.60 0.00 0.00 56.93 54.87 1trv s PHE 27 Cb -0.19 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.54 1trv s PHE 27 CO 0.05 -1.01 0.00 0.43 0.70 0.00 0.00 175.22 175.38 1trv n SER 28 N 4.95 1.98 -3.77 1.36 7.64 -1.14 -1.96 113.62 122.67 1trv n SER 28 Ca -0.08 -0.60 -0.21 0.00 1.01 0.00 0.00 58.87 59.00 1trv n SER 28 Cb 0.42 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.51 -0.08 -0.43 0.00 -1.26 -2.90 121.76 115.60 1trv s ALA 29 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.70 1trv s ALA 29 Cb 0.00 -0.61 -0.23 0.00 0.00 0.00 0.00 23.12 22.29 1trv s ALA 29 CO 0.00 -0.36 1.03 0.00 0.00 0.00 0.00 175.76 176.43 1trv h THR 30 N 6.32 1.55 -0.17 0.00 1.03 -1.96 -3.04 112.91 116.64 1trv h THR 30 Ca -0.24 -1.68 0.05 0.00 -0.01 0.00 0.00 66.41 64.53 1trv h THR 30 Cb 1.13 2.68 -0.01 0.00 -1.07 0.00 0.00 68.15 70.88 1trv h THR 30 CO 0.29 0.43 0.45 4.11 -0.01 0.00 0.00 175.52 180.79 1trv h TRP 31 N -0.73 0.00 -3.56 0.00 5.08 -2.02 -3.40 115.95 111.32 1trv h TRP 31 Ca -0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.71 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.86 1trv h TRP 31 CO 0.18 0.00 0.02 0.00 -1.28 0.00 0.00 178.44 177.36 1trv n GLY 33 N -0.79 -0.67 0.19 0.00 0.00 -1.26 -3.74 105.19 98.92 1trv n GLY 33 Ca 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.39 -0.09 0.00 1.61 0.11 -1.96 0.43 132.00 131.71 1trv h PRO 34 Ca 0.00 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1trv h PRO 34 Cb 0.23 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 1trv h PRO 34 CO 0.00 -0.06 -0.00 0.00 -0.21 0.00 0.00 178.00 177.73 1trv n LYS 36 N -3.19 0.63 0.01 0.00 4.81 0.84 -3.86 118.16 117.40 1trv n LYS 36 Ca -0.03 0.13 0.08 0.00 -0.87 0.00 0.00 58.31 57.62 1trv n LYS 36 Cb 0.09 -1.75 0.35 0.00 0.02 0.00 0.00 35.03 33.73 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 -2.75 0.02 -0.31 1.64 2.81 0.11 -2.05 117.12 116.60 1trv n MET 37 Ca -0.09 0.26 0.11 0.00 -1.81 0.00 0.00 57.70 56.17 1trv n MET 37 Cb 0.76 -1.54 0.29 0.00 -0.71 0.00 0.00 33.22 32.02 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 -1.58 0.82 0.08 2.02 5.41 -1.19 -4.33 119.36 120.59 1trv n ILE 38 Ca 0.04 -0.86 -0.05 0.00 1.00 0.00 0.00 62.75 62.88 1trv n ILE 38 Cb 0.19 0.54 -0.05 0.00 -0.71 0.00 0.00 39.64 39.61 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 4.00 0.00 0.00 0.38 2.10 -1.62 -3.13 116.57 118.31 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 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1trv h LYS 39 CO 0.00 0.86 0.00 -0.35 -2.00 0.00 0.00 179.45 177.96 1trv n PRO 40 N -3.40 0.12 -0.06 0.07 -0.05 -1.26 -1.59 135.00 128.82 1trv n PRO 40 Ca 0.00 0.35 -0.04 0.00 -0.05 0.00 0.00 63.50 63.76 1trv n PRO 40 Cb 0.86 -1.73 -0.02 0.00 -0.05 0.00 0.00 33.50 32.56 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 -0.12 0.54 -1.00 -1.83 -3.14 116.94 111.39 1trv h PHE 41 Ca 0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 1trv h PHE 41 Cb 0.33 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 1trv h PHE 41 CO 0.00 0.13 -0.04 0.35 -1.61 0.00 0.00 178.31 177.13 1trv h PHE 42 N -1.00 -0.10 0.00 -0.55 3.57 -1.55 0.20 116.94 117.51 1trv h PHE 42 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 42 Cb 0.36 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1trv h PHE 42 CO -0.09 -0.07 0.00 1.58 -2.23 0.00 0.00 178.31 177.50 1trv n HIS 43 N -5.17 0.53 -0.11 0.41 -0.00 -0.62 -1.33 115.22 108.92 1trv n HIS 43 Ca -0.04 0.27 -0.13 0.00 0.46 0.00 0.00 57.72 58.28 1trv n HIS 43 Cb 0.10 -0.93 -0.03 0.00 -0.12 0.00 0.00 29.99 29.01 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 0.91 -0.15 0.26 4.64 -0.53 -2.67 113.55 116.00 1trv h SER 44 Ca 0.00 -0.46 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1trv h SER 44 Cb 0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1trv h SER 44 CO 0.00 1.18 0.17 -0.07 -0.87 0.00 0.00 176.83 177.24 1trv h LEU 45 N 0.65 0.00 -0.48 5.97 3.38 -1.18 -2.31 115.31 121.34 1trv h LEU 45 Ca 0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1trv h LEU 45 Cb 0.91 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 1trv h LEU 45 CO 0.08 0.00 -0.03 0.28 0.09 0.00 0.00 178.44 178.86 1trv h SER 46 N 0.00 -0.27 0.88 -0.43 0.02 -1.57 0.49 113.55 112.66 1trv h SER 46 Ca 0.07 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1trv h SER 46 Cb 0.41 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1trv h SER 46 CO -0.00 -0.10 -1.16 -0.62 -1.14 0.00 0.00 176.83 173.81 1trv n GLU 47 N -5.26 0.61 0.12 3.45 1.02 -0.91 -3.95 120.64 115.73 1trv n GLU 47 Ca 0.05 0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.39 1trv n GLU 47 Cb 0.26 -1.82 0.02 0.00 -0.02 0.00 0.00 31.44 29.88 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 0.00 -2.42 3.49 3.64 -1.04 -3.39 116.57 116.86 1trv h LYS 48 Ca -0.06 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.73 1trv h LYS 48 Cb 1.20 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 1trv h LYS 48 CO 0.02 0.31 -0.81 0.66 -2.27 0.00 0.00 179.45 177.35 1trv n TYR 49 N -3.06 1.37 0.92 1.91 4.01 0.17 -4.91 117.16 117.56 1trv n TYR 49 Ca -0.01 -3.83 0.08 0.00 -0.16 0.00 0.00 57.90 53.98 1trv n TYR 49 Cb 0.70 -0.31 0.44 0.00 -0.31 0.00 0.00 39.34 39.87 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 1.79 0.00 -1.42 7.72 3.41 -1.25 -1.85 113.62 122.01 1trv n SER 50 Ca 0.25 -0.38 0.10 0.00 -0.26 0.00 0.00 58.87 58.59 1trv n SER 50 Cb 0.44 -0.05 0.33 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 -1.05 4.15 -4.13 4.04 5.15 -1.26 -4.90 115.26 117.26 1trv n ASN 51 Ca 0.11 -2.18 -0.19 0.00 -0.60 0.00 0.00 54.58 51.72 1trv n ASN 51 Cb 0.06 -0.52 -0.13 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 -1.39 1.01 -0.32 3.44 1.01 -0.77 -4.73 120.40 118.65 1trv s VAL 52 Ca 0.48 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 1trv s VAL 52 Cb 0.28 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1trv s VAL 52 CO 0.29 -0.07 0.26 -0.63 0.00 0.00 0.00 175.10 174.95 1trv s ILE 53 N -0.94 5.26 -0.15 2.22 -1.09 -1.18 -4.78 121.20 120.55 1trv s ILE 53 Ca -0.00 0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1trv s ILE 53 Cb -0.08 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1trv s ILE 53 CO 0.01 0.06 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.40 1trv s PHE 54 N 1.82 3.07 0.43 3.97 0.08 -1.26 -1.36 117.98 124.73 1trv s PHE 54 Ca 0.08 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 57.00 1trv s PHE 54 Cb -0.17 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1trv s PHE 54 CO 0.11 0.04 0.32 -0.51 -0.10 0.00 0.00 175.22 175.08 1trv s LEU 55 N 0.25 3.23 -0.25 -0.37 1.02 -0.92 -3.21 118.68 118.43 1trv s LEU 55 Ca -0.02 -0.90 -0.03 0.00 0.02 0.00 0.00 54.13 53.20 1trv s LEU 55 Cb -0.14 -1.77 0.10 0.00 0.02 0.00 0.00 46.19 44.41 1trv s LEU 55 CO 0.02 -0.67 0.19 -0.70 0.02 0.00 0.00 176.35 175.21 1trv s GLU 56 N -4.08 0.21 0.02 1.70 -6.30 -0.46 -2.49 118.70 107.29 1trv s GLU 56 Ca 0.45 -0.20 0.01 0.00 -2.50 0.00 0.00 54.97 52.73 1trv s GLU 56 Cb -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 34.13 32.94 1trv s GLU 56 CO 0.26 -0.89 0.06 0.08 0.02 0.00 0.00 175.26 174.78 1trv s VAL 57 N 2.23 4.52 -0.21 3.70 1.01 -0.50 -1.67 120.40 129.46 1trv s VAL 57 Ca 0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1trv s VAL 57 Cb -0.15 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1trv s VAL 57 CO -0.26 0.30 -0.07 -0.62 0.00 0.00 0.00 175.10 174.44 1trv s ASP 58 N -1.86 4.11 0.00 3.32 2.15 -1.26 -2.90 116.67 120.22 1trv s ASP 58 Ca 0.24 -0.43 0.07 0.00 0.43 0.00 0.00 52.55 52.86 1trv s ASP 58 Cb -0.12 -1.69 0.42 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 58 CO 0.15 -0.01 0.99 1.33 -0.17 0.00 0.00 175.17 177.46 1trv n VAL 59 N 4.74 0.38 -0.11 1.11 0.24 -1.14 0.12 118.33 123.68 1trv n VAL 59 Ca -0.19 0.10 -0.18 0.00 -2.04 0.00 0.00 64.34 62.03 1trv n VAL 59 Cb 0.51 -0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 31.81 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 -1.13 2.08 0.02 -1.34 9.92 -1.26 -3.67 116.55 121.16 1trv n ASP 60 Ca 0.05 0.03 -0.12 0.00 -0.53 0.00 0.00 54.79 54.23 1trv n ASP 60 Cb 0.04 -0.45 -0.14 0.00 -0.64 0.00 0.00 41.12 39.94 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 -0.30 0.13 -0.73 -2.24 1.82 -1.87 -3.36 116.42 109.88 1trv h ASP 61 Ca -0.50 -0.23 -0.52 0.00 -0.39 0.00 0.00 57.03 55.40 1trv h ASP 61 Cb 1.63 -0.04 -0.36 0.00 0.68 0.00 0.00 39.33 41.23 1trv h ASP 61 CO -0.17 1.20 -0.46 0.00 -1.61 0.00 0.00 179.24 178.19 1trv n ALA 62 N -2.59 5.13 0.18 -0.78 0.00 0.12 -4.76 120.51 117.81 1trv n ALA 62 Ca -0.15 -3.67 0.09 0.00 0.00 0.00 0.00 53.44 49.70 1trv n ALA 62 Cb 1.03 -0.60 0.46 0.00 0.00 0.00 0.00 19.45 20.34 1trv n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1trv h GLN 63 N 2.01 0.00 -0.24 0.00 3.07 -1.63 0.14 115.11 118.46 1trv h GLN 63 Ca 0.38 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.96 1trv h GLN 63 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.95 1trv h GLN 63 CO 0.84 0.00 -0.50 0.38 0.09 0.00 0.00 178.83 179.64 1trv h ASP 64 N 0.00 0.73 0.78 0.06 2.03 -1.89 -2.55 116.42 115.58 1trv h ASP 64 Ca 0.00 -0.37 -0.24 0.00 -0.73 0.00 0.00 57.03 55.69 1trv h ASP 64 Cb 0.43 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.71 1trv h ASP 64 CO 0.00 1.10 -1.10 0.58 -1.03 0.00 0.00 179.24 178.79 1trv h VAL 65 N 0.52 1.59 -0.61 4.15 2.07 -1.04 -3.24 116.25 119.69 1trv h VAL 65 Ca 0.02 -3.17 -0.03 0.00 0.82 0.00 0.00 66.70 64.34 1trv h VAL 65 Cb 1.06 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.65 1trv h VAL 65 CO 0.10 0.92 0.24 0.00 0.02 0.00 0.00 177.57 178.85 1trv h ALA 66 N 0.79 1.29 0.00 1.67 0.00 -1.42 -1.46 119.26 120.13 1trv h ALA 66 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 66 Cb 1.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1trv h ALA 66 CO 0.17 0.53 -0.21 0.66 0.00 0.00 0.00 179.25 180.39 1trv h SER 67 N 0.87 0.00 0.95 0.00 4.64 -1.48 0.32 113.55 118.85 1trv h SER 67 Ca 0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1trv h SER 67 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1trv h SER 67 CO -0.02 0.21 -0.45 -0.08 -0.87 0.00 0.00 176.83 175.62 1trv h GLU 68 N 0.00 -1.22 -0.00 4.77 4.22 -1.31 -2.36 114.58 118.67 1trv h GLU 68 Ca -0.00 0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1trv h GLU 68 Cb 0.42 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1trv h GLU 68 CO 0.03 -0.82 -0.02 0.00 -2.18 0.00 0.00 179.01 176.03 1trv n ALA 69 N -2.64 2.66 -3.51 2.92 0.00 -1.15 -4.93 120.51 113.86 1trv n ALA 69 Ca -0.16 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 1trv n ALA 69 Cb 0.50 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.84 -1.54 -2.80 0.00 1.02 0.11 -4.88 120.64 111.71 1trv n GLU 70 Ca 0.21 0.67 -0.43 0.00 -0.02 0.00 0.00 57.16 57.59 1trv n GLU 70 Cb 0.19 -4.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.89 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 -3.38 4.36 -0.22 2.62 1.01 -0.79 -4.85 120.40 119.14 1trv s VAL 71 Ca 0.42 0.47 0.14 0.00 0.00 0.00 0.00 61.98 63.01 1trv s VAL 71 Cb -0.12 -4.54 0.53 0.00 0.00 0.00 0.00 36.38 32.25 1trv s VAL 71 CO 0.82 -1.08 1.45 0.29 0.00 0.00 0.00 175.10 176.58 1trv n LYS 72 N 7.52 2.58 -3.19 2.72 5.02 -1.26 -4.87 118.16 126.67 1trv n LYS 72 Ca 0.04 -2.94 0.01 0.00 -2.02 0.00 0.00 58.31 53.39 1trv n LYS 72 Cb 0.48 -1.85 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.97 -2.05 0.14 7.82 0.00 -1.26 -5.16 121.76 118.29 1trv s ALA 73 Ca 0.43 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.59 1trv s ALA 73 Cb 0.36 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1trv s ALA 73 CO 0.06 -1.60 0.19 0.95 0.00 0.00 0.00 175.76 175.36 1trv s THR 74 N 2.77 4.91 0.73 0.00 -4.23 -1.26 -4.20 115.64 114.35 1trv s THR 74 Ca 0.14 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1trv s THR 74 Cb -0.12 -3.49 0.03 0.00 1.34 0.00 0.00 72.50 70.26 1trv s THR 74 CO -0.24 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.71 1trv s PRO 75 N -3.01 2.67 -0.02 3.99 0.04 -1.26 -4.94 135.00 132.47 1trv s PRO 75 Ca 0.33 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 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 0.26 -1.21 0.25 0.99 0.04 0.00 0.00 177.00 177.32 1trv s THR 76 N -3.20 0.06 -0.02 1.26 2.01 -0.83 -3.33 115.64 111.60 1trv s THR 76 Ca 0.59 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 62.14 1trv s THR 76 Cb -0.13 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1trv s THR 76 CO 0.54 -0.27 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.65 1trv s PHE 77 N -1.19 1.64 0.04 4.92 0.08 -0.84 -1.42 117.98 121.21 1trv s PHE 77 Ca -0.13 -0.34 0.06 0.00 0.12 0.00 0.00 56.93 56.65 1trv s PHE 77 Cb -0.06 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 1trv s PHE 77 CO 0.03 -0.05 -0.19 -0.65 -0.10 0.00 0.00 175.22 174.26 1trv s GLN 78 N -0.34 1.26 -0.34 0.44 -0.21 -1.11 -1.83 119.66 117.54 1trv s GLN 78 Ca 0.05 -0.87 -0.07 0.00 0.02 0.00 0.00 55.36 54.49 1trv s GLN 78 Cb -0.08 -1.34 0.03 0.00 1.00 0.00 0.00 33.01 32.63 1trv s GLN 78 CO -0.00 0.34 0.11 -0.06 -2.12 0.00 0.00 175.29 173.56 1trv s PHE 79 N -0.79 3.24 0.15 0.91 0.40 0.11 -2.06 117.98 119.95 1trv s PHE 79 Ca 0.06 -1.33 0.05 0.00 -0.60 0.00 0.00 56.93 55.11 1trv s PHE 79 Cb -0.08 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1trv s PHE 79 CO 0.01 -0.70 0.08 -0.06 0.70 0.00 0.00 175.22 175.25 1trv s PHE 80 N 1.43 3.06 -0.19 0.36 0.08 -0.38 -1.72 117.98 120.61 1trv s PHE 80 Ca -0.01 -0.04 -0.09 0.00 0.12 0.00 0.00 56.93 56.92 1trv s PHE 80 Cb -0.19 -1.49 0.07 0.00 -0.57 0.00 0.00 43.02 40.84 1trv s PHE 80 CO 0.03 0.52 0.43 0.21 -0.10 0.00 0.00 175.22 176.30 1trv s LYS 81 N -2.93 0.38 -1.19 0.44 2.47 -0.37 -2.18 119.74 116.36 1trv s LYS 81 Ca 0.29 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.61 1trv s LYS 81 Cb -0.10 0.13 0.00 0.00 -1.46 0.00 0.00 37.83 36.40 1trv s LYS 81 CO 0.22 -0.20 0.00 1.63 0.16 0.00 0.00 175.35 177.16 1trv n LYS 82 N 4.73 -1.91 -1.65 4.03 5.02 -1.26 0.82 118.16 127.93 1trv n LYS 82 Ca -0.17 0.67 -0.03 0.00 -2.02 0.00 0.00 58.31 56.76 1trv n LYS 82 Cb 0.53 -5.16 -0.01 0.00 -0.02 0.00 0.00 35.03 30.37 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 -0.64 0.39 2.87 0.72 0.00 -1.26 -5.03 105.19 102.24 1trv n GLY 83 Ca -0.15 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.36 1.13 0.11 1.61 -0.21 0.24 -5.11 119.66 114.08 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 -1.25 -0.09 0.00 1.00 0.00 0.00 33.01 32.67 1trv s GLN 84 CO 0.00 -0.23 1.55 0.21 -2.12 0.00 0.00 175.29 174.71 1trv s LYS 85 N 1.60 4.23 0.00 2.91 2.20 -1.26 -1.24 119.74 128.18 1trv s LYS 85 Ca 0.01 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1trv s LYS 85 Cb -0.13 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1trv s LYS 85 CO -0.05 -0.62 0.00 1.33 -0.36 0.00 0.00 175.35 175.65 1trv n VAL 86 N 4.26 0.00 -3.59 4.02 0.24 -0.70 -4.94 118.33 117.62 1trv n VAL 86 Ca 0.14 -0.45 -0.05 0.00 -2.04 0.00 0.00 64.34 61.94 1trv n VAL 86 Cb 0.40 0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 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 -1.04 -0.27 -0.09 7.63 0.00 -1.20 -5.02 107.32 107.33 1trv s GLY 87 Ca 0.00 1.70 -0.32 0.00 0.00 0.00 0.00 44.72 46.10 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 -2.25 0.50 -0.05 2.90 -1.05 -1.26 0.08 118.70 117.56 1trv s GLU 88 Ca 0.08 -0.21 -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 -0.05 -0.22 1.01 -0.59 0.95 0.00 0.00 175.26 176.36 1trv s PHE 89 N -2.63 -0.25 0.07 4.83 -0.71 -0.76 -5.00 117.98 113.54 1trv s PHE 89 Ca 0.10 0.13 0.06 0.00 -1.04 0.00 0.00 56.93 56.17 1trv s PHE 89 Cb 0.00 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1trv s PHE 89 CO -0.05 -0.45 -0.17 -1.54 -1.34 0.00 0.00 175.22 171.67 1trv s SER 90 N -2.45 2.02 0.00 1.98 1.04 -1.26 -1.98 113.70 113.05 1trv s SER 90 Ca 0.07 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1trv s SER 90 Cb -0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1trv s SER 90 CO -0.07 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1trv n GLY 91 N 1.44 4.29 1.34 7.32 0.00 -1.21 -4.94 105.19 113.43 1trv n GLY 91 Ca -0.19 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.44 3.49 -3.24 4.61 0.00 -1.26 -4.60 120.51 118.06 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 -0.00 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 1.19 5.69 0.27 0.00 4.05 -1.26 -4.83 115.26 120.37 1trv n ASN 93 Ca 0.00 -3.21 0.12 0.00 0.45 0.00 0.00 54.58 51.95 1trv n ASN 93 Cb 0.49 -1.28 0.79 0.00 1.23 0.00 0.00 39.78 41.01 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1trv h LYS 94 N 6.03 0.00 -0.19 1.20 -0.00 -1.98 -1.09 116.57 120.54 1trv h LYS 94 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.73 1trv h LYS 94 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.98 1trv h LYS 94 CO 1.12 0.00 -0.33 0.93 -0.00 0.00 0.00 179.45 181.17 1trv h GLU 95 N 0.00 0.39 0.00 0.07 5.08 -1.98 -2.48 114.58 115.66 1trv h GLU 95 Ca 0.01 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1trv h GLU 95 Cb 0.04 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1trv h GLU 95 CO -0.00 0.68 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.40 1trv h LYS 96 N 0.34 0.00 -0.92 2.33 3.64 -1.60 -1.93 116.57 118.43 1trv h LYS 96 Ca 0.04 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.67 1trv h LYS 96 Cb 0.74 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1trv h LYS 96 CO 0.06 0.07 0.64 -0.07 -2.27 0.00 0.00 179.45 177.88 1trv h LEU 97 N 0.00 0.18 0.53 5.20 3.38 -1.48 0.62 115.31 123.73 1trv h LEU 97 Ca -0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1trv h LEU 97 Cb 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1trv h LEU 97 CO 0.01 0.06 -0.25 -0.08 0.09 0.00 0.00 178.44 178.27 1trv h GLU 98 N 0.17 -0.68 -0.23 1.13 4.57 -1.52 0.21 114.58 118.23 1trv h GLU 98 Ca 0.46 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.76 1trv h GLU 98 Cb 1.54 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.28 1trv h GLU 98 CO -0.09 -0.45 0.18 0.00 -1.18 0.00 0.00 179.01 177.46 1trv h ALA 99 N -1.61 2.11 -0.13 2.92 0.00 -1.53 -1.62 119.26 119.39 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 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1trv h ALA 99 CO 0.12 -0.30 -0.30 1.15 0.00 0.00 0.00 179.25 179.92 1trv h THR 100 N 0.00 1.37 -0.63 0.00 2.02 -0.61 -2.98 112.91 112.09 1trv h THR 100 Ca 0.11 -1.58 0.03 0.00 0.77 0.00 0.00 66.41 65.74 1trv h THR 100 Cb 0.47 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1trv h THR 100 CO -0.00 0.47 0.41 0.40 0.37 0.00 0.00 175.52 177.17 1trv h ILE 101 N 0.04 1.08 0.00 3.11 2.04 0.38 0.42 117.51 124.59 1trv h ILE 101 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1trv h ILE 101 Cb 0.90 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1trv h ILE 101 CO 0.07 0.14 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -0.97 -2.13 115.26 114.54 1trv n ASN 102 Ca 0.08 -0.81 -0.08 0.00 -0.60 0.00 0.00 54.58 53.16 1trv n ASN 102 Cb 0.13 -0.01 -0.07 0.00 -0.53 0.00 0.00 39.78 39.30 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trv h GLU 103 N 0.00 -0.04 -0.45 1.20 4.81 0.00 -3.35 114.58 116.75 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 0.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.40 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 -4.74 4.68 0.00 1.64 4.77 -1.22 -5.13 117.00 117.00 1trv n LEU 104 Ca -0.06 -2.83 0.02 0.00 -0.03 0.00 0.00 56.01 53.11 1trv n LEU 104 Cb 0.26 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1trv n LEU 104 CO 0.20 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.83