#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 -0.16 2.03 1.01 -1.26 -4.23 120.40 117.79 1trv s VAL 2 Ca 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 61.98 59.98 1trv s VAL 2 Cb 0.00 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.28 -0.75 0.00 0.00 0.00 175.10 174.63 1trv s LYS 3 N -3.70 0.19 -0.11 2.72 2.47 -1.16 -5.01 119.74 115.15 1trv s LYS 3 Ca 0.39 0.64 -0.30 0.00 -1.56 0.00 0.00 55.97 55.14 1trv s LYS 3 Cb 0.04 -0.29 -0.01 0.00 -1.46 0.00 0.00 37.83 36.10 1trv s LYS 3 CO 0.21 -0.39 1.05 -1.14 0.16 0.00 0.00 175.35 175.23 1trv s GLN 4 N 2.43 4.40 -0.27 4.03 0.74 -1.26 -1.54 119.66 128.19 1trv s GLN 4 Ca 0.03 1.44 -0.18 0.00 0.05 0.00 0.00 55.36 56.71 1trv s GLN 4 Cb -0.13 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 1trv s GLN 4 CO -0.10 -0.37 0.52 0.42 -0.55 0.00 0.00 175.29 175.21 1trv s ILE 5 N 2.15 5.06 -0.12 -2.34 -1.09 -0.71 -4.92 121.20 119.24 1trv s ILE 5 Ca 0.49 0.86 0.17 0.00 -2.23 0.00 0.00 60.65 59.94 1trv s ILE 5 Cb -0.19 -3.84 -0.17 0.00 -1.58 0.00 0.00 42.46 36.67 1trv s ILE 5 CO 0.18 0.06 0.69 -0.62 -1.23 0.00 0.00 174.94 174.02 1trv n GLU 6 N 5.57 0.63 -0.37 2.79 4.71 -1.26 -4.50 120.64 128.21 1trv n GLU 6 Ca -0.04 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1trv n GLU 6 Cb 0.50 -1.75 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1trv n SER 7 N -2.85 0.00 0.15 1.62 3.41 -1.26 -4.36 113.62 110.33 1trv n SER 7 Ca -0.13 -0.35 0.06 0.00 -0.26 0.00 0.00 58.87 58.19 1trv n SER 7 Cb 0.89 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.04 4.33 3.64 -1.94 -3.18 116.57 119.37 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 0.27 0.00 1.15 -2.27 0.00 0.00 179.45 178.60 1trv h THR 9 N 0.00 0.97 -0.14 1.00 2.02 -2.00 -1.22 112.91 113.55 1trv h THR 9 Ca -0.02 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 1trv h THR 9 Cb 1.24 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1trv h THR 9 CO 0.04 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.55 1trv h ALA 10 N 1.04 1.11 -0.12 6.16 0.00 -1.98 -2.38 119.26 123.09 1trv h ALA 10 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1trv h ALA 10 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1trv h ALA 10 CO -0.03 0.58 0.06 0.35 0.00 0.00 0.00 179.25 180.20 1trv h PHE 11 N 0.25 0.10 0.13 0.00 3.57 -1.38 0.41 116.94 120.02 1trv h PHE 11 Ca 0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1trv h PHE 11 Cb 0.78 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1trv h PHE 11 CO 0.02 0.06 -0.06 0.37 -2.23 0.00 0.00 178.31 176.46 1trv h GLN 12 N 0.12 -0.17 -0.03 1.11 -0.00 -1.12 -2.30 115.11 112.72 1trv h GLN 12 Ca 0.05 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1trv h GLN 12 Cb 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.53 1trv h GLN 12 CO -0.03 0.05 0.02 0.93 0.00 0.00 0.00 178.83 179.80 1trv h GLU 13 N -0.37 0.00 -0.14 1.69 5.08 -1.26 -1.76 114.58 117.81 1trv h GLU 13 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1trv h GLU 13 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1trv h GLU 13 CO 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 179.01 178.00 1trv h ALA 14 N 1.98 0.20 0.00 3.43 0.00 0.33 -1.98 119.26 123.21 1trv h ALA 14 Ca 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1trv h ALA 14 CO -0.00 -0.04 -0.12 -0.07 0.00 0.00 0.00 179.25 179.02 1trv h LEU 15 N -0.04 0.00 -0.16 0.00 3.38 -0.84 -1.90 115.31 115.75 1trv h LEU 15 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1trv h LEU 15 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1trv h LEU 15 CO 0.02 0.12 -0.31 -0.78 0.09 0.00 0.00 178.44 177.58 1trv h ASP 16 N 0.00 0.56 0.96 -0.43 1.82 -0.92 -3.02 116.42 115.39 1trv h ASP 16 Ca -0.00 -0.55 -0.04 0.00 -0.39 0.00 0.00 57.03 56.05 1trv h ASP 16 Cb 0.37 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1trv h ASP 16 CO 0.02 1.00 -0.20 0.00 -1.61 0.00 0.00 179.24 178.44 1trv h ALA 17 N 0.57 1.01 -0.45 -0.78 0.00 -0.97 -2.94 119.26 115.71 1trv h ALA 17 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 17 Cb 0.90 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1trv h ALA 17 CO 0.07 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1trv h ALA 18 N 1.80 1.15 0.00 0.00 0.00 -1.23 -3.47 119.26 117.51 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 0.73 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1trv h ALA 18 CO 0.03 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1trv n GLY 19 N -0.68 2.12 0.00 0.00 0.00 -1.11 -3.08 105.19 102.43 1trv n GLY 19 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 6.37 0.00 -4.80 1.61 9.92 -1.26 -4.58 116.55 123.81 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.79 52.97 1trv n ASP 20 Cb 0.00 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.59 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1trv s LYS 21 N 0.00 1.72 0.81 -1.24 1.02 -1.18 -4.61 119.74 116.26 1trv s LYS 21 Ca 0.00 0.49 -0.12 0.00 0.02 0.00 0.00 55.97 56.36 1trv s LYS 21 Cb 0.00 -1.89 0.08 0.00 -0.52 0.00 0.00 37.83 35.51 1trv s LYS 21 CO 0.00 -1.84 1.16 -1.17 -0.92 0.00 0.00 175.35 172.58 1trv s LEU 22 N -5.87 3.08 -0.30 3.17 0.20 -1.26 -4.52 118.68 113.18 1trv s LEU 22 Ca 0.62 2.20 0.01 0.00 0.69 0.00 0.00 54.13 57.65 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 -2.56 0.35 -0.69 -0.29 0.00 0.00 176.35 173.69 1trv s VAL 23 N -2.41 -0.48 0.57 1.68 1.01 -0.77 -2.98 120.40 117.02 1trv s VAL 23 Ca 0.69 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1trv s VAL 23 Cb -0.24 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1trv s VAL 23 CO 0.52 -0.42 0.84 -0.69 0.00 0.00 0.00 175.10 175.35 1trv s VAL 24 N 2.32 3.20 0.01 2.92 1.01 -0.61 -0.76 120.40 128.48 1trv s VAL 24 Ca 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1trv s VAL 24 Cb -0.13 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1trv s VAL 24 CO -0.29 -0.22 0.01 -0.69 0.00 0.00 0.00 175.10 173.92 1trv s VAL 25 N -2.88 0.07 -0.29 2.92 1.01 -0.69 -2.43 120.40 118.12 1trv s VAL 25 Ca 0.55 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1trv s VAL 25 Cb -0.10 -0.22 0.07 0.00 0.00 0.00 0.00 36.38 36.12 1trv s VAL 25 CO 0.42 -0.33 -0.04 -0.62 0.00 0.00 0.00 175.10 174.52 1trv s ASP 26 N -1.01 4.63 -0.54 3.32 2.15 -1.02 -2.91 116.67 121.29 1trv s ASP 26 Ca -0.11 -1.56 -0.16 0.00 0.43 0.00 0.00 52.55 51.14 1trv s ASP 26 Cb -0.07 -1.61 0.12 0.00 -0.30 0.00 0.00 42.92 41.07 1trv s ASP 26 CO -0.00 -0.26 0.53 -0.36 -0.17 0.00 0.00 175.17 174.91 1trv s PHE 27 N 1.09 3.21 0.00 -5.34 0.40 -0.26 -1.30 117.98 115.77 1trv s PHE 27 Ca -0.03 -1.21 0.00 0.00 -0.60 0.00 0.00 56.93 55.09 1trv s PHE 27 Cb -0.20 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.53 1trv s PHE 27 CO -0.05 -1.05 0.00 -1.13 0.70 0.00 0.00 175.22 173.69 1trv n SER 28 N 5.43 1.84 -3.74 1.36 3.41 -1.16 -1.57 113.62 119.20 1trv n SER 28 Ca -0.13 -0.63 -0.24 0.00 -0.26 0.00 0.00 58.87 57.61 1trv n SER 28 Cb 0.41 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.18 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1trv s ALA 29 N -2.00 0.71 -0.03 7.33 0.00 -1.26 -3.11 121.76 123.40 1trv s ALA 29 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1trv s ALA 29 Cb 0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 23.12 22.04 1trv s ALA 29 CO 0.00 -0.72 1.21 0.00 0.00 0.00 0.00 175.76 176.24 1trv h THR 30 N 6.40 1.44 -0.20 0.00 1.03 -1.95 -2.85 112.91 116.77 1trv h THR 30 Ca -0.18 -1.35 0.06 0.00 -0.01 0.00 0.00 66.41 64.94 1trv h THR 30 Cb 1.13 2.30 -0.01 0.00 -1.07 0.00 0.00 68.15 70.50 1trv h THR 30 CO 0.27 0.36 0.45 4.11 -0.01 0.00 0.00 175.52 180.70 1trv h TRP 31 N -0.48 0.00 -3.61 0.00 5.08 -2.02 -3.40 115.95 111.52 1trv h TRP 31 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1trv h TRP 31 Cb 0.60 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.76 1trv h TRP 31 CO 0.12 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.34 1trv n GLY 33 N -1.07 -0.63 0.19 0.00 0.00 -1.26 -4.02 105.19 98.40 1trv n GLY 33 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 0.19 0.00 1.61 0.11 -1.96 0.33 132.00 131.88 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 0.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1trv h PRO 34 CO 0.00 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 177.91 1trv n LYS 36 N -2.24 0.63 0.00 0.00 4.81 0.11 -3.80 118.16 117.67 1trv n LYS 36 Ca -0.01 0.21 0.08 0.00 -0.87 0.00 0.00 58.31 57.73 1trv n LYS 36 Cb 0.06 -1.77 0.47 0.00 0.02 0.00 0.00 35.03 33.80 1trv n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1trv n MET 37 N -2.89 0.39 -0.25 1.64 1.56 -0.33 -2.07 117.12 115.16 1trv n MET 37 Ca -0.13 0.07 0.12 0.00 -0.27 0.00 0.00 57.70 57.48 1trv n MET 37 Cb 0.90 -1.50 0.26 0.00 2.15 0.00 0.00 33.22 35.04 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1trv n ILE 38 N -1.15 0.67 0.08 1.12 5.41 -1.23 -4.33 119.36 119.94 1trv n ILE 38 Ca 0.10 -0.81 -0.04 0.00 1.00 0.00 0.00 62.75 63.01 1trv n ILE 38 Cb 0.10 0.74 -0.07 0.00 -0.71 0.00 0.00 39.64 39.70 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 4.23 0.00 0.00 0.38 2.10 -1.64 -3.18 116.57 118.46 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 0.78 0.00 -0.35 -2.00 0.00 0.00 179.45 177.88 1trv n PRO 40 N -3.28 0.17 -0.07 0.07 -0.05 -1.26 -1.19 135.00 129.39 1trv n PRO 40 Ca -0.00 0.42 -0.06 0.00 -0.05 0.00 0.00 63.50 63.80 1trv n PRO 40 Cb 0.87 -1.84 -0.03 0.00 -0.05 0.00 0.00 33.50 32.45 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 0.31 0.54 -1.00 -1.84 -3.00 116.94 111.95 1trv h PHE 41 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1trv h PHE 41 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1trv h PHE 41 CO 0.00 0.28 -0.15 0.35 -1.61 0.00 0.00 178.31 177.18 1trv h PHE 42 N -1.00 -0.39 0.00 -0.55 3.57 -1.54 -2.30 116.94 114.73 1trv h PHE 42 Ca -0.05 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1trv h PHE 42 Cb 0.49 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1trv h PHE 42 CO -0.06 -0.20 -0.02 1.25 -2.23 0.00 0.00 178.31 177.05 1trv h HIS 43 N -0.48 0.00 -0.15 0.41 2.76 -1.36 -0.86 115.15 115.47 1trv h HIS 43 Ca -0.04 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 1trv h HIS 43 Cb 0.36 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1trv h HIS 43 CO -0.04 0.02 -0.34 1.03 -1.30 0.00 0.00 177.93 177.30 1trv h SER 44 N 0.00 0.31 -0.47 3.26 0.87 -1.26 -2.44 113.55 113.81 1trv h SER 44 Ca -0.00 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1trv h SER 44 Cb 0.05 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1trv h SER 44 CO 0.00 0.63 0.32 -0.07 -0.53 0.00 0.00 176.83 177.18 1trv h LEU 45 N 0.26 0.39 -0.94 2.23 3.38 -0.96 -1.94 115.31 117.73 1trv h LEU 45 Ca 0.03 -0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.21 1trv h LEU 45 Cb 0.73 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.27 1trv h LEU 45 CO 0.06 0.26 0.50 0.28 0.09 0.00 0.00 178.44 179.63 1trv h SER 46 N 0.45 0.55 1.09 -0.43 0.02 -1.50 0.45 113.55 114.17 1trv h SER 46 Ca 0.20 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1trv h SER 46 Cb 0.23 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1trv h SER 46 CO -0.05 0.11 -0.92 -0.33 -1.14 0.00 0.00 176.83 174.50 1trv h GLU 47 N 0.55 0.00 0.00 3.45 5.08 -1.52 -3.31 114.58 118.83 1trv h GLU 47 Ca 0.58 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.75 1trv h GLU 47 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1trv h GLU 47 CO -0.46 0.03 -1.10 -0.22 -1.00 0.00 0.00 179.01 176.26 1trv h LYS 48 N 0.00 0.00 -2.42 2.33 1.63 -0.61 -3.39 116.57 114.11 1trv h LYS 48 Ca -0.01 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.19 1trv h LYS 48 Cb 1.05 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.28 1trv h LYS 48 CO 0.00 0.65 -0.81 0.66 -3.45 0.00 0.00 179.45 176.50 1trv n TYR 49 N -3.17 1.39 0.84 1.91 4.01 0.13 -4.91 117.16 117.36 1trv n TYR 49 Ca -0.05 -3.83 0.06 0.00 -0.16 0.00 0.00 57.90 53.92 1trv n TYR 49 Cb 0.90 -0.31 0.33 0.00 -0.31 0.00 0.00 39.34 39.94 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 1.78 0.00 -1.39 7.72 3.41 -1.25 -1.69 113.62 122.20 1trv n SER 50 Ca 0.25 -0.49 0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1trv n SER 50 Cb 0.44 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.72 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 4.06 -4.18 4.04 5.15 -1.26 -4.91 115.26 117.23 1trv n ASN 51 Ca 0.08 -2.09 -0.18 0.00 -0.60 0.00 0.00 54.58 51.79 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 1.14 -0.30 3.44 1.01 -0.68 -4.70 120.40 119.10 1trv s VAL 52 Ca 0.49 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1trv s VAL 52 Cb 0.27 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1trv s VAL 52 CO 0.31 -0.27 0.20 -0.63 0.00 0.00 0.00 175.10 174.70 1trv s ILE 53 N -1.48 5.18 -0.16 2.22 -1.09 -1.16 -4.89 121.20 119.82 1trv s ILE 53 Ca 0.00 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1trv s ILE 53 Cb -0.09 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1trv s ILE 53 CO 0.02 0.15 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.49 1trv s PHE 54 N 1.73 3.03 0.41 3.97 0.08 -1.26 -1.57 117.98 124.36 1trv s PHE 54 Ca 0.06 -0.29 0.08 0.00 0.12 0.00 0.00 56.93 56.90 1trv s PHE 54 Cb -0.17 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1trv s PHE 54 CO 0.10 -0.04 0.31 -0.51 -0.10 0.00 0.00 175.22 174.98 1trv s LEU 55 N 0.39 3.32 -0.20 -0.37 1.02 -1.02 -2.98 118.68 118.83 1trv s LEU 55 Ca -0.04 -0.83 -0.04 0.00 0.02 0.00 0.00 54.13 53.24 1trv s LEU 55 Cb -0.14 -1.88 0.08 0.00 0.02 0.00 0.00 46.19 44.27 1trv s LEU 55 CO 0.03 -0.59 0.16 -0.70 0.02 0.00 0.00 176.35 175.27 1trv s GLU 56 N -4.05 0.15 0.11 1.70 2.12 -0.59 -2.44 118.70 115.69 1trv s GLU 56 Ca 0.45 -0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.83 1trv s GLU 56 Cb -0.01 -1.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.91 1trv s GLU 56 CO 0.26 -0.72 0.02 0.08 -0.54 0.00 0.00 175.26 174.36 1trv s VAL 57 N 2.23 4.08 -0.17 3.70 1.01 -0.42 -1.73 120.40 129.09 1trv s VAL 57 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1trv s VAL 57 Cb -0.16 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1trv s VAL 57 CO -0.15 0.07 -0.17 -0.62 0.00 0.00 0.00 175.10 174.23 1trv s ASP 58 N -2.48 3.42 0.00 3.32 2.15 -1.26 -2.99 116.67 118.83 1trv s ASP 58 Ca 0.27 -0.56 0.08 0.00 0.43 0.00 0.00 52.55 52.77 1trv s ASP 58 Cb -0.11 -1.53 0.42 0.00 -0.30 0.00 0.00 42.92 41.39 1trv s ASP 58 CO 0.19 0.03 1.09 1.33 -0.17 0.00 0.00 175.17 177.64 1trv n VAL 59 N 4.43 0.70 -0.11 1.11 0.24 -1.18 0.42 118.33 123.94 1trv n VAL 59 Ca -0.20 0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 1trv n VAL 59 Cb 0.51 -1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 31.75 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 -1.24 1.73 0.04 -1.34 9.92 -1.26 -3.71 116.55 120.69 1trv n ASP 60 Ca 0.04 0.18 -0.04 0.00 -0.53 0.00 0.00 54.79 54.45 1trv n ASP 60 Cb 0.06 -0.57 -0.09 0.00 -0.64 0.00 0.00 41.12 39.88 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 -0.61 0.00 -0.52 -2.24 1.82 -1.92 -3.34 116.42 109.61 1trv h ASP 61 Ca -0.53 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 55.74 1trv h ASP 61 Cb 1.53 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 41.28 1trv h ASP 61 CO -0.28 0.78 -0.53 0.00 -1.61 0.00 0.00 179.24 177.61 1trv n ALA 62 N -2.40 4.67 0.20 -0.78 0.00 0.17 -4.76 120.51 117.61 1trv n ALA 62 Ca -0.08 -3.56 0.10 0.00 0.00 0.00 0.00 53.44 49.90 1trv n ALA 62 Cb 0.91 -0.48 0.54 0.00 0.00 0.00 0.00 19.45 20.42 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 1.71 0.00 -0.31 0.00 3.07 -1.62 0.70 115.11 118.65 1trv h GLN 63 Ca 0.27 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.84 1trv h GLN 63 Cb 1.36 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.92 1trv h GLN 63 CO 0.57 0.00 -0.49 0.38 0.09 0.00 0.00 178.83 179.38 1trv h ASP 64 N 0.00 0.95 0.74 0.06 2.03 -1.89 -2.32 116.42 115.98 1trv h ASP 64 Ca 0.00 -0.48 -0.24 0.00 -0.73 0.00 0.00 57.03 55.58 1trv h ASP 64 Cb 0.42 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.64 1trv h ASP 64 CO 0.00 1.27 -1.09 0.58 -1.03 0.00 0.00 179.24 178.97 1trv h VAL 65 N 0.68 1.57 -0.84 4.15 2.07 -1.19 -3.21 116.25 119.48 1trv h VAL 65 Ca 0.03 -3.09 -0.03 0.00 0.82 0.00 0.00 66.70 64.43 1trv h VAL 65 Cb 1.08 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 33.64 1trv h VAL 65 CO 0.11 0.90 0.41 0.00 0.02 0.00 0.00 177.57 179.00 1trv h ALA 66 N 0.79 1.08 0.00 1.67 0.00 -1.42 -1.09 119.26 120.28 1trv h ALA 66 Ca -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1trv h ALA 66 Cb 1.82 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1trv h ALA 66 CO 0.17 0.64 -0.12 0.66 0.00 0.00 0.00 179.25 180.60 1trv h SER 67 N 1.19 0.00 0.46 0.00 4.64 -1.45 0.45 113.55 118.84 1trv h SER 67 Ca 0.29 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 1trv h SER 67 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1trv h SER 67 CO -0.04 0.12 -0.22 -0.08 -0.87 0.00 0.00 176.83 175.74 1trv h GLU 68 N 0.00 -0.60 -0.02 4.77 4.81 -1.20 -2.57 114.58 119.77 1trv h GLU 68 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1trv h GLU 68 Cb 0.37 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1trv h GLU 68 CO 0.02 -0.31 0.00 0.00 -0.73 0.00 0.00 179.01 177.99 1trv n ALA 69 N -2.48 2.62 -3.56 2.92 0.00 -1.12 -4.92 120.51 113.97 1trv n ALA 69 Ca -0.11 -0.26 -0.26 0.00 0.00 0.00 0.00 53.44 52.81 1trv n ALA 69 Cb 0.30 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.55 -1.41 -2.80 0.00 4.71 0.09 -4.88 120.64 115.81 1trv n GLU 70 Ca 0.19 0.63 -0.43 0.00 -0.01 0.00 0.00 57.16 57.55 1trv n GLU 70 Cb 0.17 -4.44 -0.04 0.00 -1.01 0.00 0.00 31.44 26.13 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1trv s VAL 71 N -3.38 4.35 -0.20 2.62 1.01 -0.87 -4.85 120.40 119.08 1trv s VAL 71 Ca 0.41 0.45 0.16 0.00 0.00 0.00 0.00 61.98 62.99 1trv s VAL 71 Cb -0.13 -4.54 0.56 0.00 0.00 0.00 0.00 36.38 32.27 1trv s VAL 71 CO 0.83 -1.09 1.47 0.29 0.00 0.00 0.00 175.10 176.60 1trv n LYS 72 N 7.54 3.00 -3.20 2.72 5.02 -1.26 -4.85 118.16 127.13 1trv n LYS 72 Ca 0.03 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 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 -2.87 -2.02 0.14 7.82 0.00 -1.26 -5.16 121.76 118.40 1trv s ALA 73 Ca 0.44 0.96 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1trv s ALA 73 Cb 0.36 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1trv s ALA 73 CO 0.09 -1.71 0.22 0.95 0.00 0.00 0.00 175.76 175.31 1trv s THR 74 N 2.75 5.05 0.73 0.00 -4.23 -1.26 -4.19 115.64 114.49 1trv s THR 74 Ca 0.12 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1trv s THR 74 Cb -0.12 -3.56 0.03 0.00 1.34 0.00 0.00 72.50 70.19 1trv s THR 74 CO -0.26 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.70 1trv s PRO 75 N -3.03 2.63 -0.02 3.99 0.04 -1.26 -4.94 135.00 132.40 1trv s PRO 75 Ca 0.33 0.67 -0.13 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 32.47 1trv s PRO 75 CO 0.27 -1.25 0.28 0.99 0.04 0.00 0.00 177.00 177.33 1trv s THR 76 N -3.19 0.06 -0.01 1.26 2.01 -0.61 -3.27 115.64 111.90 1trv s THR 76 Ca 0.59 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 62.15 1trv s THR 76 Cb -0.13 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 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 -1.26 1.65 0.03 4.92 0.40 -0.95 -1.11 117.98 121.66 1trv s PHE 77 Ca -0.13 -0.31 0.06 0.00 -0.60 0.00 0.00 56.93 55.95 1trv s PHE 77 Cb -0.06 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 1trv s PHE 77 CO 0.04 -0.02 -0.19 -0.65 0.70 0.00 0.00 175.22 175.09 1trv s GLN 78 N -0.48 1.36 -0.35 0.44 -0.21 -1.14 -2.25 119.66 117.02 1trv s GLN 78 Ca 0.07 -0.84 -0.07 0.00 0.02 0.00 0.00 55.36 54.54 1trv s GLN 78 Cb -0.07 -1.41 0.04 0.00 1.00 0.00 0.00 33.01 32.57 1trv s GLN 78 CO -0.01 0.37 0.13 -0.06 -2.12 0.00 0.00 175.29 173.60 1trv s PHE 79 N -0.70 3.26 0.12 0.91 0.40 0.11 -1.70 117.98 120.37 1trv s PHE 79 Ca 0.07 -1.34 0.05 0.00 -0.60 0.00 0.00 56.93 55.11 1trv s PHE 79 Cb -0.08 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1trv s PHE 79 CO 0.01 -0.72 0.03 -0.06 0.70 0.00 0.00 175.22 175.19 1trv s PHE 80 N 1.43 3.02 -0.18 0.36 0.08 0.06 -1.79 117.98 120.96 1trv s PHE 80 Ca -0.01 -0.03 -0.09 0.00 0.12 0.00 0.00 56.93 56.93 1trv s PHE 80 Cb -0.20 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.81 1trv s PHE 80 CO 0.04 0.50 0.42 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.57 0.38 -1.25 0.44 2.20 -0.56 -1.84 119.74 116.54 1trv s LYS 81 Ca 0.27 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1trv s LYS 81 Cb -0.11 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 1trv s LYS 81 CO 0.20 -0.19 0.00 1.63 -0.36 0.00 0.00 175.35 176.63 1trv n LYS 82 N 4.63 -1.59 -1.65 4.03 5.02 -1.26 0.89 118.16 128.22 1trv n LYS 82 Ca -0.18 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1trv n LYS 82 Cb 0.53 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 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 -0.43 0.40 2.85 0.72 0.00 -1.26 -5.04 105.19 102.43 1trv n GLY 83 Ca -0.13 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.31 0.98 0.04 1.61 -1.52 0.26 -5.11 119.66 112.60 1trv s GLN 84 Ca 0.00 -0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 1trv s GLN 84 Cb 0.00 -1.15 -0.07 0.00 -0.22 0.00 0.00 33.01 31.56 1trv s GLN 84 CO 0.00 -0.24 1.62 0.21 -0.25 0.00 0.00 175.29 176.63 1trv s LYS 85 N 1.64 4.21 0.00 2.91 2.20 -1.26 -1.49 119.74 127.94 1trv s LYS 85 Ca 0.01 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1trv s LYS 85 Cb -0.13 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1trv s LYS 85 CO -0.05 -0.73 0.13 1.33 -0.36 0.00 0.00 175.35 175.67 1trv n VAL 86 N 4.85 0.00 -3.54 4.02 0.24 -0.74 -4.96 118.33 118.21 1trv n VAL 86 Ca 0.16 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 1trv n VAL 86 Cb 0.41 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.66 -0.41 -0.19 7.63 0.00 -1.17 -5.01 107.32 107.51 1trv s GLY 87 Ca 0.00 1.52 -0.31 0.00 0.00 0.00 0.00 44.72 45.93 1trv s GLY 87 CO 0.00 0.78 1.14 -1.83 0.00 0.00 0.00 173.10 173.19 1trv s GLU 88 N -1.83 0.39 -0.11 2.90 -1.05 -1.26 0.07 118.70 117.81 1trv s GLU 88 Ca -0.02 0.01 -0.31 0.00 -0.15 0.00 0.00 54.97 54.50 1trv s GLU 88 Cb -0.01 0.18 0.12 0.00 -0.44 0.00 0.00 34.13 33.99 1trv s GLU 88 CO -0.00 -0.14 1.03 -0.59 0.95 0.00 0.00 175.26 176.51 1trv s PHE 89 N -1.56 -0.27 0.03 4.83 -0.12 -0.96 -5.00 117.98 114.92 1trv s PHE 89 Ca 0.05 0.27 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 -0.37 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.03 1trv s SER 90 N -1.99 2.29 0.00 1.98 1.04 -1.26 -2.25 113.70 113.52 1trv s SER 90 Ca 0.05 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1trv s SER 90 Cb -0.01 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1trv s SER 90 CO -0.05 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1trv n GLY 91 N 2.08 4.18 1.52 7.32 0.00 -1.20 -4.95 105.19 114.13 1trv n GLY 91 Ca -0.17 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 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 4.07 -3.32 4.61 0.00 -1.26 -4.66 120.51 118.62 1trv n ALA 92 Ca 0.00 -0.08 -0.44 0.00 0.00 0.00 0.00 53.44 52.92 1trv n ALA 92 Cb 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.47 5.53 0.20 0.00 4.05 -1.26 -4.84 115.26 120.42 1trv n ASN 93 Ca 0.02 -3.10 0.13 0.00 0.45 0.00 0.00 54.58 52.07 1trv n ASN 93 Cb 0.51 -1.33 0.72 0.00 1.23 0.00 0.00 39.78 40.90 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 6.41 0.00 -0.08 1.20 2.10 -1.99 -0.43 116.57 123.78 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 0.83 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1trv h LYS 94 CO 1.05 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 179.06 1trv h GLU 95 N 0.00 0.17 -0.16 0.07 5.08 -1.98 -2.60 114.58 115.15 1trv h GLU 95 Ca 0.06 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1trv h GLU 95 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1trv h GLU 95 CO -0.00 0.51 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.26 1trv h LYS 96 N 0.14 0.24 -0.95 2.33 3.64 -1.48 -2.10 116.57 118.39 1trv h LYS 96 Ca 0.02 -0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.59 1trv h LYS 96 Cb 0.71 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 1trv h LYS 96 CO 0.05 0.30 0.63 -0.07 -2.27 0.00 0.00 179.45 178.10 1trv h LEU 97 N 0.23 0.38 0.46 5.20 3.38 -1.50 0.18 115.31 123.64 1trv h LEU 97 Ca 0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1trv h LEU 97 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1trv h LEU 97 CO 0.01 0.13 -0.22 -0.08 0.09 0.00 0.00 178.44 178.36 1trv h GLU 98 N 0.36 -0.59 -0.21 1.13 4.81 -1.53 0.15 114.58 118.70 1trv h GLU 98 Ca 0.51 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.84 1trv h GLU 98 Cb 1.34 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1trv h GLU 98 CO -0.19 -0.40 0.17 0.00 -0.73 0.00 0.00 179.01 177.86 1trv h ALA 99 N -1.67 2.08 -0.15 2.92 0.00 -1.53 -1.69 119.26 119.22 1trv h ALA 99 Ca -0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1trv h ALA 99 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1trv h ALA 99 CO 0.10 -0.28 -0.32 1.15 0.00 0.00 0.00 179.25 179.90 1trv h THR 100 N 0.00 1.36 -0.59 0.00 2.02 -0.40 -3.00 112.91 112.31 1trv h THR 100 Ca 0.10 -1.59 0.03 0.00 0.77 0.00 0.00 66.41 65.72 1trv h THR 100 Cb 0.44 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 1trv h THR 100 CO -0.00 0.48 0.39 0.40 0.37 0.00 0.00 175.52 177.16 1trv h ILE 101 N 0.10 1.09 0.00 3.11 2.04 0.23 0.45 117.51 124.53 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 0.92 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1trv h ILE 101 CO 0.07 0.13 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 -1.01 -1.97 115.26 114.66 1trv n ASN 102 Ca 0.07 -0.70 -0.08 0.00 -0.60 0.00 0.00 54.58 53.27 1trv n ASN 102 Cb 0.11 -0.04 -0.07 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.05 -0.44 1.20 4.81 0.04 -3.35 114.58 116.79 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1trv h GLU 103 Cb 0.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1trv h GLU 103 CO 0.00 0.44 0.00 1.28 -0.73 0.00 0.00 179.01 180.00 1trv n LEU 104 N -4.74 4.80 0.00 1.64 4.77 -1.22 -5.13 117.00 117.11 1trv n LEU 104 Ca -0.06 -2.91 0.01 0.00 -0.03 0.00 0.00 56.01 53.03 1trv n LEU 104 Cb 0.24 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1trv n LEU 104 CO 0.18 0.67 0.32 0.55 -1.33 0.00 0.00 177.39 177.78