#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trw s VAL 2 N 0.00 0.31 -0.13 2.03 1.01 -1.26 -4.08 120.40 118.28 1trw s VAL 2 Ca 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 59.92 1trw s VAL 2 Cb 0.00 -2.53 0.06 0.00 0.00 0.00 0.00 36.38 33.91 1trw s VAL 2 CO 0.00 0.00 0.29 -0.75 0.00 0.00 0.00 175.10 174.64 1trw s LYS 3 N -3.88 0.22 -0.14 2.72 2.20 -1.19 -5.01 119.74 114.66 1trw s LYS 3 Ca 0.37 0.69 -0.28 0.00 -0.36 0.00 0.00 55.97 56.39 1trw s LYS 3 Cb 0.06 -0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.33 1trw s LYS 3 CO 0.17 -0.22 0.95 -1.14 -0.36 0.00 0.00 175.35 174.75 1trw s GLN 4 N 1.84 4.37 -0.21 4.03 0.74 -1.26 -1.11 119.66 128.07 1trw s GLN 4 Ca -0.05 1.26 -0.20 0.00 0.05 0.00 0.00 55.36 56.42 1trw s GLN 4 Cb -0.11 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1trw s GLN 4 CO -0.09 -0.34 0.59 0.42 -0.55 0.00 0.00 175.29 175.32 1trw s ILE 5 N 2.13 5.05 -0.09 -2.34 -1.09 -0.57 -4.93 121.20 119.35 1trw s ILE 5 Ca 0.45 1.09 0.15 0.00 -2.23 0.00 0.00 60.65 60.11 1trw s ILE 5 Cb -0.17 -3.90 -0.20 0.00 -1.58 0.00 0.00 42.46 36.60 1trw s ILE 5 CO 0.15 0.12 0.62 -0.62 -1.23 0.00 0.00 174.94 173.99 1trw n GLU 6 N 5.04 0.64 -0.46 2.79 1.02 -1.26 -4.43 120.64 123.98 1trw n GLU 6 Ca -0.03 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1trw n GLU 6 Cb 0.50 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1trw n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trw n SER 7 N -2.92 0.00 0.15 1.62 3.41 -1.26 -4.20 113.62 110.42 1trw n SER 7 Ca -0.16 -0.44 0.04 0.00 -0.26 0.00 0.00 58.87 58.04 1trw n SER 7 Cb 0.98 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.99 1trw n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1trw h LYS 8 N 0.00 0.00 0.19 4.33 3.64 -1.93 -3.12 116.57 119.68 1trw h LYS 8 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1trw h LYS 8 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1trw h LYS 8 CO 0.00 0.42 -0.14 1.15 -2.27 0.00 0.00 179.45 178.61 1trw h THR 9 N 0.00 0.71 -0.05 1.00 2.02 -2.01 -1.83 112.91 112.75 1trw h THR 9 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1trw h THR 9 Cb 1.31 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1trw h THR 9 CO 0.05 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.59 1trw h ALA 10 N 0.47 1.31 -0.37 6.16 0.00 -1.98 -2.81 119.26 122.04 1trw h ALA 10 Ca -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1trw h ALA 10 Cb 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1trw h ALA 10 CO 0.00 0.49 0.23 0.35 0.00 0.00 0.00 179.25 180.32 1trw h PHE 11 N 0.09 0.43 0.27 0.00 3.57 -1.34 0.12 116.94 120.08 1trw h PHE 11 Ca 0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1trw h PHE 11 Cb 0.68 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1trw h PHE 11 CO 0.00 0.26 -0.13 1.96 -2.23 0.00 0.00 178.31 178.17 1trw h GLN 12 N 0.47 -0.35 -0.08 1.11 4.20 -1.18 -2.56 115.11 116.71 1trw h GLN 12 Ca 0.14 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1trw h GLN 12 Cb -0.02 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1trw h GLN 12 CO -0.05 -0.07 0.09 0.93 -0.67 0.00 0.00 178.83 179.06 1trw h GLU 13 N -0.63 0.00 -0.19 1.46 5.08 -1.37 -1.09 114.58 117.85 1trw h GLU 13 Ca -0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1trw h GLU 13 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1trw h GLU 13 CO 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 179.01 178.00 1trw h ALA 14 N 1.90 0.26 0.00 3.43 0.00 -0.38 -1.62 119.26 122.84 1trw h ALA 14 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1trw h ALA 14 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1trw h ALA 14 CO -0.00 0.07 -0.16 -0.07 0.00 0.00 0.00 179.25 179.09 1trw h LEU 15 N 0.08 0.00 -0.14 0.00 3.38 -0.85 -1.82 115.31 115.96 1trw h LEU 15 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1trw h LEU 15 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1trw h LEU 15 CO 0.02 0.16 -0.31 -0.78 0.09 0.00 0.00 178.44 177.62 1trw h ASP 16 N 0.00 0.52 1.03 -0.43 1.82 -0.87 -3.04 116.42 115.46 1trw h ASP 16 Ca -0.00 -0.57 -0.03 0.00 -0.39 0.00 0.00 57.03 56.04 1trw h ASP 16 Cb 0.43 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 1trw h ASP 16 CO 0.02 0.99 -0.13 0.00 -1.61 0.00 0.00 179.24 178.51 1trw h ALA 17 N 0.54 1.01 -0.58 -0.78 0.00 -0.97 -2.96 119.26 115.52 1trw h ALA 17 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1trw h ALA 17 Cb 0.92 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1trw h ALA 17 CO 0.07 0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.55 1trw h ALA 18 N 1.87 1.02 0.00 0.00 0.00 -1.22 -3.48 119.26 117.44 1trw h ALA 18 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1trw h ALA 18 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1trw h ALA 18 CO 0.02 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1trw n GLY 19 N -0.62 1.64 0.00 0.00 0.00 -1.12 -3.59 105.19 101.49 1trw n GLY 19 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1trw n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trw n ASP 20 N 4.68 0.12 -4.81 1.61 9.92 -1.26 -4.49 116.55 122.33 1trw n ASP 20 Ca 0.00 -1.04 -0.29 0.00 -0.53 0.00 0.00 54.79 52.92 1trw n ASP 20 Cb 0.00 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.59 1trw n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1trw s LYS 21 N -0.04 1.66 0.77 -1.24 1.02 -1.24 -4.53 119.74 116.14 1trw s LYS 21 Ca 0.00 0.42 -0.13 0.00 0.02 0.00 0.00 55.97 56.28 1trw s LYS 21 Cb 0.00 -1.89 0.06 0.00 -0.52 0.00 0.00 37.83 35.49 1trw s LYS 21 CO 0.00 -1.87 1.18 -1.17 -0.92 0.00 0.00 175.35 172.57 1trw s LEU 22 N -5.87 3.18 -0.31 3.17 0.20 -1.26 -4.45 118.68 113.35 1trw s LEU 22 Ca 0.62 2.25 0.00 0.00 0.69 0.00 0.00 54.13 57.69 1trw s LEU 22 Cb -0.14 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.18 1trw s LEU 22 CO 0.53 -2.41 0.31 -0.69 -0.29 0.00 0.00 176.35 173.80 1trw s VAL 23 N -2.25 -0.38 0.56 1.68 1.01 -0.22 -3.00 120.40 117.80 1trw s VAL 23 Ca 0.71 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1trw s VAL 23 Cb -0.26 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1trw s VAL 23 CO 0.49 -0.50 0.86 -0.69 0.00 0.00 0.00 175.10 175.26 1trw s VAL 24 N 2.16 3.97 0.03 2.92 1.01 -0.53 -0.95 120.40 129.01 1trw s VAL 24 Ca 0.11 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1trw s VAL 24 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1trw s VAL 24 CO -0.27 -0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 173.54 1trw s VAL 25 N -2.90 0.38 -0.25 2.92 1.01 -0.70 -2.08 120.40 118.77 1trw s VAL 25 Ca 0.52 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1trw s VAL 25 Cb -0.10 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 35.87 1trw s VAL 25 CO 0.45 -0.41 -0.09 -0.62 0.00 0.00 0.00 175.10 174.43 1trw s ASP 26 N -1.48 4.26 -0.53 3.32 2.15 -1.01 -2.93 116.67 120.44 1trw s ASP 26 Ca -0.12 -1.34 -0.16 0.00 0.43 0.00 0.00 52.55 51.36 1trw s ASP 26 Cb -0.10 -1.43 0.12 0.00 -0.30 0.00 0.00 42.92 41.22 1trw s ASP 26 CO -0.00 -0.21 0.49 -0.36 -0.17 0.00 0.00 175.17 174.92 1trw s PHE 27 N 1.20 3.25 0.00 -5.34 0.40 -0.24 -1.23 117.98 116.01 1trw s PHE 27 Ca -0.07 -1.26 0.00 0.00 -0.60 0.00 0.00 56.93 54.99 1trw s PHE 27 Cb -0.20 -3.74 0.00 0.00 0.51 0.00 0.00 43.02 39.59 1trw s PHE 27 CO -0.06 -1.00 0.00 0.43 0.70 0.00 0.00 175.22 175.29 1trw n SER 28 N 5.24 1.67 -3.70 1.36 7.64 -1.15 -1.80 113.62 122.89 1trw n SER 28 Ca -0.14 -0.87 -0.25 0.00 1.01 0.00 0.00 58.87 58.62 1trw n SER 28 Cb 0.40 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.43 1trw n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trw s ALA 29 N -2.00 0.67 -0.00 -0.43 0.00 -1.22 -3.10 121.76 115.68 1trw s ALA 29 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 1trw s ALA 29 Cb 0.00 -0.98 -0.19 0.00 0.00 0.00 0.00 23.12 21.96 1trw s ALA 29 CO 0.00 -0.94 1.31 0.00 0.00 0.00 0.00 175.76 176.13 1trw h THR 30 N 6.44 1.21 -0.23 0.00 1.03 -1.96 -2.62 112.91 116.78 1trw h THR 30 Ca -0.16 -0.91 0.07 0.00 -0.01 0.00 0.00 66.41 65.40 1trw h THR 30 Cb 1.13 1.80 -0.01 0.00 -1.07 0.00 0.00 68.15 70.00 1trw h THR 30 CO 0.28 0.23 0.46 4.11 -0.01 0.00 0.00 175.52 180.59 1trw h TRP 31 N -0.48 0.00 -3.49 0.00 5.08 -1.98 -3.40 115.95 111.68 1trw h TRP 31 Ca -0.01 0.00 -0.49 0.00 1.08 0.00 0.00 58.89 59.47 1trw h TRP 31 Cb 0.43 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.61 1trw h TRP 31 CO 0.06 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.28 1trw n GLY 33 N -1.94 -0.54 0.25 0.00 0.00 -1.26 -4.25 105.19 97.45 1trw n GLY 33 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1trw n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trw h PRO 34 N -0.23 0.43 -0.36 1.61 0.11 -1.96 0.38 132.00 131.97 1trw h PRO 34 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1trw h PRO 34 Cb 0.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1trw h PRO 34 CO 0.00 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.07 1trw n LYS 36 N -0.10 2.10 0.00 0.00 4.81 0.13 -3.42 118.16 121.68 1trw n LYS 36 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1trw n LYS 36 Cb 0.09 -0.93 0.50 0.00 0.02 0.00 0.00 35.03 34.71 1trw n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1trw n MET 37 N -1.55 0.26 -0.29 1.64 2.81 -0.89 -2.51 117.12 116.59 1trw n MET 37 Ca 0.00 0.10 0.11 0.00 -1.81 0.00 0.00 57.70 56.10 1trw n MET 37 Cb 0.21 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.50 1trw n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1trw n ILE 38 N -1.31 0.77 0.09 2.02 5.41 -1.25 -4.32 119.36 120.77 1trw n ILE 38 Ca 0.09 -0.83 -0.02 0.00 1.00 0.00 0.00 62.75 62.98 1trw n ILE 38 Cb 0.17 0.58 -0.05 0.00 -0.71 0.00 0.00 39.64 39.63 1trw n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trw h LYS 39 N 3.98 0.00 0.00 0.38 2.10 -1.80 -3.18 116.57 118.05 1trw h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trw h LYS 39 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1trw h LYS 39 CO 0.00 0.74 0.00 -0.35 -2.00 0.00 0.00 179.45 177.84 1trw n PRO 40 N -3.27 0.20 -0.07 0.07 -0.05 -1.26 -1.51 135.00 129.10 1trw n PRO 40 Ca 0.00 0.40 -0.08 0.00 -0.05 0.00 0.00 63.50 63.77 1trw n PRO 40 Cb 0.84 -1.86 -0.05 0.00 -0.05 0.00 0.00 33.50 32.39 1trw n PRO 40 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1trw h PHE 41 N 0.00 0.00 0.07 0.54 0.04 -1.84 -2.97 116.94 112.78 1trw h PHE 41 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1trw h PHE 41 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1trw h PHE 41 CO 0.00 0.44 -0.03 0.35 -0.60 0.00 0.00 178.31 178.46 1trw h PHE 42 N -1.00 -0.08 0.00 -0.55 3.57 -1.54 -1.70 116.94 115.63 1trw h PHE 42 Ca -0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1trw h PHE 42 Cb 0.60 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1trw h PHE 42 CO -0.03 -0.04 -0.03 1.25 -2.23 0.00 0.00 178.31 177.23 1trw h HIS 43 N -0.11 0.00 -0.29 0.41 2.76 -1.46 -1.49 115.15 114.97 1trw h HIS 43 Ca -0.01 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.03 1trw h HIS 43 Cb 0.08 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1trw h HIS 43 CO -0.07 0.03 -0.34 1.03 -1.30 0.00 0.00 177.93 177.28 1trw h SER 44 N 0.00 0.66 -0.26 3.26 0.87 -1.14 -2.46 113.55 114.48 1trw h SER 44 Ca -0.00 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1trw h SER 44 Cb 0.13 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1trw h SER 44 CO 0.00 0.95 0.20 -0.07 -0.53 0.00 0.00 176.83 177.38 1trw h LEU 45 N 0.54 0.00 -0.73 2.23 3.38 -1.04 -2.18 115.31 117.51 1trw h LEU 45 Ca 0.06 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.18 1trw h LEU 45 Cb 0.84 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 1trw h LEU 45 CO 0.07 0.00 0.20 0.28 0.09 0.00 0.00 178.44 179.08 1trw h SER 46 N 0.00 0.06 0.92 -0.43 0.02 -1.50 0.29 113.55 112.90 1trw h SER 46 Ca 0.13 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1trw h SER 46 Cb 0.52 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1trw h SER 46 CO -0.00 -0.01 -0.81 -0.33 -1.14 0.00 0.00 176.83 174.54 1trw h GLU 47 N 0.30 0.00 0.00 3.45 5.08 -1.56 -3.33 114.58 118.51 1trw h GLU 47 Ca 0.41 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.54 1trw h GLU 47 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1trw h GLU 47 CO -0.49 0.00 -1.28 -0.22 -1.00 0.00 0.00 179.01 176.02 1trw h LYS 48 N 0.00 0.00 -2.43 2.33 3.64 -0.99 -3.39 116.57 115.73 1trw h LYS 48 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1trw h LYS 48 Cb 0.86 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.27 1trw h LYS 48 CO 0.00 0.72 -0.71 0.66 -2.27 0.00 0.00 179.45 177.85 1trw n TYR 49 N -3.19 2.40 0.82 1.91 4.01 0.90 -4.89 117.16 119.12 1trw n TYR 49 Ca -0.07 -4.02 0.06 0.00 -0.16 0.00 0.00 57.90 53.71 1trw n TYR 49 Cb 0.97 -0.46 0.37 0.00 -0.31 0.00 0.00 39.34 39.91 1trw n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1trw n SER 50 N 1.46 0.00 -1.37 7.72 3.41 -1.25 -1.57 113.62 122.02 1trw n SER 50 Ca 0.26 -0.44 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1trw n SER 50 Cb 0.42 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.69 1trw n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trw n ASN 51 N -0.97 3.97 -4.13 4.04 5.15 -1.26 -4.90 115.26 117.17 1trw n ASN 51 Ca 0.09 -2.07 -0.19 0.00 -0.60 0.00 0.00 54.58 51.82 1trw n ASN 51 Cb 0.04 -0.50 -0.13 0.00 -0.53 0.00 0.00 39.78 38.67 1trw n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trw s VAL 52 N -1.16 1.00 -0.26 3.44 1.01 -0.61 -4.73 120.40 119.09 1trw s VAL 52 Ca 0.48 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1trw s VAL 52 Cb 0.26 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1trw s VAL 52 CO 0.31 -0.05 0.29 -0.63 0.00 0.00 0.00 175.10 175.02 1trw s ILE 53 N -0.91 5.24 -0.13 2.22 -1.09 -1.16 -4.83 121.20 120.54 1trw s ILE 53 Ca -0.00 0.41 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1trw s ILE 53 Cb -0.08 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1trw s ILE 53 CO 0.01 0.22 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.50 1trw s PHE 54 N 1.79 2.93 0.41 3.97 0.08 -1.26 -1.45 117.98 124.45 1trw s PHE 54 Ca 0.12 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 56.87 1trw s PHE 54 Cb -0.16 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1trw s PHE 54 CO 0.10 -0.04 0.28 -0.51 -0.10 0.00 0.00 175.22 174.95 1trw s LEU 55 N 0.17 3.28 -0.24 -0.37 1.02 -0.88 -3.19 118.68 118.47 1trw s LEU 55 Ca -0.04 -0.88 -0.04 0.00 0.02 0.00 0.00 54.13 53.20 1trw s LEU 55 Cb -0.14 -1.79 0.09 0.00 0.02 0.00 0.00 46.19 44.36 1trw s LEU 55 CO 0.04 -0.58 0.16 -0.70 0.02 0.00 0.00 176.35 175.28 1trw s GLU 56 N -4.02 0.17 0.02 1.70 2.12 -0.26 -2.42 118.70 116.01 1trw s GLU 56 Ca 0.45 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.57 1trw s GLU 56 Cb -0.00 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.06 1trw s GLU 56 CO 0.25 -0.85 0.07 0.08 -0.54 0.00 0.00 175.26 174.28 1trw s VAL 57 N 2.19 4.64 -0.20 3.70 1.01 -0.37 -1.51 120.40 129.86 1trw s VAL 57 Ca 0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1trw s VAL 57 Cb -0.16 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1trw s VAL 57 CO -0.24 0.30 -0.07 -0.62 0.00 0.00 0.00 175.10 174.47 1trw s ASP 58 N -1.87 4.12 0.00 3.32 2.15 -1.26 -2.91 116.67 120.21 1trw s ASP 58 Ca 0.24 -0.41 0.09 0.00 0.43 0.00 0.00 52.55 52.90 1trw s ASP 58 Cb -0.12 -1.69 0.47 0.00 -0.30 0.00 0.00 42.92 41.28 1trw s ASP 58 CO 0.16 0.01 1.08 1.33 -0.17 0.00 0.00 175.17 177.58 1trw n VAL 59 N 4.60 0.52 -0.11 1.11 0.24 -1.18 0.20 118.33 123.72 1trw n VAL 59 Ca -0.19 0.13 -0.19 0.00 -2.04 0.00 0.00 64.34 62.05 1trw n VAL 59 Cb 0.51 -0.99 -0.08 0.00 -1.47 0.00 0.00 33.84 31.81 1trw n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trw n ASP 60 N -1.18 1.92 0.04 -1.34 9.92 -1.26 -3.71 116.55 120.94 1trw n ASP 60 Ca 0.05 0.10 -0.03 0.00 -0.53 0.00 0.00 54.79 54.38 1trw n ASP 60 Cb 0.05 -0.50 -0.09 0.00 -0.64 0.00 0.00 41.12 39.95 1trw n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trw h ASP 61 N -0.43 0.00 -0.52 -2.24 3.58 -1.90 -3.35 116.42 111.56 1trw h ASP 61 Ca -0.51 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 56.57 1trw h ASP 61 Cb 1.58 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 42.35 1trw h ASP 61 CO -0.22 0.74 -0.59 0.00 -2.88 0.00 0.00 179.24 176.29 1trw n ALA 62 N -2.40 4.66 0.15 -0.78 0.00 0.13 -4.74 120.51 117.53 1trw n ALA 62 Ca -0.08 -3.59 0.07 0.00 0.00 0.00 0.00 53.44 49.84 1trw n ALA 62 Cb 0.89 -0.43 0.39 0.00 0.00 0.00 0.00 19.45 20.30 1trw n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1trw n GLN 63 N -0.87 0.10 -0.07 0.00 10.64 -1.22 -0.56 117.38 125.39 1trw n GLN 63 Ca 0.37 0.57 -0.14 0.00 -1.83 0.00 0.00 57.00 55.97 1trw n GLN 63 Cb 0.88 -2.01 -0.03 0.00 -0.86 0.00 0.00 30.24 28.22 1trw n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1trw h ASP 64 N 0.00 0.95 0.71 2.61 2.03 -1.90 -2.41 116.42 118.41 1trw h ASP 64 Ca 0.00 -0.50 -0.26 0.00 -0.73 0.00 0.00 57.03 55.54 1trw h ASP 64 Cb 0.40 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1trw h ASP 64 CO 0.00 1.30 -1.17 0.58 -1.03 0.00 0.00 179.24 178.92 1trw h VAL 65 N 0.66 1.55 -0.66 4.15 2.07 -1.16 -3.26 116.25 119.61 1trw h VAL 65 Ca 0.02 -3.13 -0.03 0.00 0.82 0.00 0.00 66.70 64.38 1trw h VAL 65 Cb 1.14 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 33.78 1trw h VAL 65 CO 0.12 0.91 0.28 0.00 0.02 0.00 0.00 177.57 178.89 1trw h ALA 66 N 0.70 1.24 0.00 1.67 0.00 -1.46 -1.70 119.26 119.71 1trw h ALA 66 Ca -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1trw h ALA 66 Cb 1.90 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1trw h ALA 66 CO 0.18 0.56 -0.22 1.03 0.00 0.00 0.00 179.25 180.80 1trw h SER 67 N 0.95 0.00 0.43 0.00 0.87 -1.47 0.21 113.55 114.53 1trw h SER 67 Ca 0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1trw h SER 67 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1trw h SER 67 CO -0.02 0.22 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.21 1trw h GLU 68 N 0.00 -0.55 -0.00 2.24 4.81 -1.35 -2.56 114.58 117.16 1trw h GLU 68 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1trw h GLU 68 Cb 0.45 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1trw h GLU 68 CO 0.03 -0.27 -0.01 0.00 -0.73 0.00 0.00 179.01 178.03 1trw n ALA 69 N -2.47 2.66 -3.45 2.92 0.00 -1.15 -4.93 120.51 114.09 1trw n ALA 69 Ca -0.11 -0.24 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1trw n ALA 69 Cb 0.28 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.31 1trw n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trw n GLU 70 N -0.85 -1.41 -2.83 0.00 1.02 0.69 -4.88 120.64 112.38 1trw n GLU 70 Ca 0.21 0.95 -0.43 0.00 -0.02 0.00 0.00 57.16 57.88 1trw n GLU 70 Cb 0.18 -4.38 -0.04 0.00 -0.02 0.00 0.00 31.44 27.18 1trw n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trw s VAL 71 N -3.16 4.36 -0.20 2.62 1.01 -0.88 -4.85 120.40 119.31 1trw s VAL 71 Ca 0.17 0.24 0.16 0.00 0.00 0.00 0.00 61.98 62.55 1trw s VAL 71 Cb -0.05 -4.57 0.57 0.00 0.00 0.00 0.00 36.38 32.33 1trw s VAL 71 CO 0.82 -1.17 1.48 0.29 0.00 0.00 0.00 175.10 176.52 1trw n LYS 72 N 7.55 3.11 -3.19 2.72 5.02 -1.26 -4.84 118.16 127.27 1trw n LYS 72 Ca 0.01 -2.91 0.01 0.00 -2.02 0.00 0.00 58.31 53.40 1trw n LYS 72 Cb 0.47 -1.91 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 1trw n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trw s ALA 73 N -2.86 -2.13 0.14 7.82 0.00 -1.26 -5.15 121.76 118.31 1trw s ALA 73 Ca 0.44 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1trw s ALA 73 Cb 0.36 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1trw s ALA 73 CO 0.09 -1.83 0.30 0.95 0.00 0.00 0.00 175.76 175.27 1trw s THR 74 N 2.73 5.30 0.72 0.00 -4.23 -1.26 -4.15 115.64 114.74 1trw s THR 74 Ca 0.10 -0.47 -0.11 0.00 -1.18 0.00 0.00 61.69 60.03 1trw s THR 74 Cb -0.10 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.06 1trw s THR 74 CO -0.26 -0.04 1.08 -2.16 -0.54 0.00 0.00 174.62 172.69 1trw s PRO 75 N -3.03 2.73 -0.03 3.99 0.04 -1.26 -4.92 135.00 132.52 1trw s PRO 75 Ca 0.36 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.01 1trw s PRO 75 Cb -0.12 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1trw s PRO 75 CO 0.28 -1.18 0.22 0.99 0.04 0.00 0.00 177.00 177.35 1trw s THR 76 N -3.17 0.05 0.01 1.26 2.01 -0.75 -3.26 115.64 111.79 1trw s THR 76 Ca 0.58 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.26 1trw s THR 76 Cb -0.13 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1trw s THR 76 CO 0.54 -0.21 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.68 1trw s PHE 77 N -0.84 1.91 0.03 4.92 0.40 -0.93 -1.08 117.98 122.38 1trw s PHE 77 Ca -0.09 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1trw s PHE 77 Cb -0.05 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.27 1trw s PHE 77 CO 0.02 0.02 -0.17 -0.65 0.70 0.00 0.00 175.22 175.13 1trw s GLN 78 N -0.77 1.20 -0.37 0.44 -0.21 -1.15 -2.11 119.66 116.70 1trw s GLN 78 Ca 0.08 -0.80 -0.08 0.00 0.02 0.00 0.00 55.36 54.58 1trw s GLN 78 Cb -0.08 -1.25 0.04 0.00 1.00 0.00 0.00 33.01 32.72 1trw s GLN 78 CO 0.00 0.32 0.17 -0.06 -2.12 0.00 0.00 175.29 173.60 1trw s PHE 79 N -0.73 3.27 0.11 0.91 0.40 0.12 -1.72 117.98 120.34 1trw s PHE 79 Ca 0.05 -1.31 0.05 0.00 -0.60 0.00 0.00 56.93 55.12 1trw s PHE 79 Cb -0.08 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1trw s PHE 79 CO 0.01 -0.73 -0.01 -0.06 0.70 0.00 0.00 175.22 175.13 1trw s PHE 80 N 1.45 2.94 -0.18 0.36 0.08 -0.12 -1.63 117.98 120.89 1trw s PHE 80 Ca 0.00 -0.06 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 1trw s PHE 80 Cb -0.20 -1.50 0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1trw s PHE 80 CO 0.04 0.48 0.44 0.21 -0.10 0.00 0.00 175.22 176.29 1trw s LYS 81 N -2.41 0.46 -1.19 0.44 2.20 -0.58 -1.06 119.74 117.60 1trw s LYS 81 Ca 0.26 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1trw s LYS 81 Cb -0.11 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1trw s LYS 81 CO 0.18 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.67 1trw n LYS 82 N 3.80 -1.40 -1.70 4.03 5.02 -1.26 0.94 118.16 127.59 1trw n LYS 82 Ca -0.20 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1trw n LYS 82 Cb 0.56 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 1trw n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trw n GLY 83 N -0.11 0.50 2.85 0.72 0.00 -1.26 -5.05 105.19 102.84 1trw n GLY 83 Ca -0.11 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 1trw n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trw s GLN 84 N -3.48 0.77 0.10 1.61 -0.21 0.27 -5.11 119.66 113.60 1trw s GLN 84 Ca 0.00 -0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.04 1trw s GLN 84 Cb 0.00 -0.90 -0.08 0.00 1.00 0.00 0.00 33.01 33.02 1trw s GLN 84 CO 0.00 -0.17 1.55 0.21 -2.12 0.00 0.00 175.29 174.77 1trw s LYS 85 N 1.31 4.23 0.00 2.91 2.20 -1.26 -1.52 119.74 127.61 1trw s LYS 85 Ca -0.05 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.81 1trw s LYS 85 Cb -0.13 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1trw s LYS 85 CO -0.02 -0.63 0.05 1.33 -0.36 0.00 0.00 175.35 175.72 1trw n VAL 86 N 4.37 0.00 -3.57 4.02 0.24 -0.64 -4.95 118.33 117.80 1trw n VAL 86 Ca 0.14 -0.42 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 1trw n VAL 86 Cb 0.41 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 1trw n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1trw s GLY 87 N -0.73 -0.29 -0.14 7.63 0.00 -1.19 -5.01 107.32 107.58 1trw s GLY 87 Ca 0.00 1.69 -0.33 0.00 0.00 0.00 0.00 44.72 46.07 1trw s GLY 87 CO 0.00 0.67 1.11 -1.83 0.00 0.00 0.00 173.10 173.06 1trw s GLU 88 N -2.11 0.46 -0.11 2.90 -1.05 -1.26 0.11 118.70 117.64 1trw s GLU 88 Ca 0.05 -0.16 -0.31 0.00 -0.15 0.00 0.00 54.97 54.40 1trw s GLU 88 Cb -0.01 0.21 0.12 0.00 -0.44 0.00 0.00 34.13 34.02 1trw s GLU 88 CO -0.05 -0.20 1.03 -0.59 0.95 0.00 0.00 175.26 176.40 1trw s PHE 89 N -2.60 -0.27 -0.01 4.83 -0.12 -0.90 -5.00 117.98 113.91 1trw s PHE 89 Ca 0.08 0.25 0.06 0.00 -0.05 0.00 0.00 56.93 57.27 1trw s PHE 89 Cb -0.01 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1trw s PHE 89 CO -0.06 -0.38 -0.20 -1.54 -0.05 0.00 0.00 175.22 173.00 1trw s SER 90 N -2.05 2.32 0.00 1.98 1.04 -1.26 -2.18 113.70 113.54 1trw s SER 90 Ca 0.05 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1trw s SER 90 Cb -0.01 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1trw s SER 90 CO -0.05 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1trw n GLY 91 N 2.56 4.05 1.42 7.32 0.00 -1.20 -4.96 105.19 114.37 1trw n GLY 91 Ca -0.15 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 1trw n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trw n ALA 92 N -1.15 3.74 -3.24 4.61 0.00 -1.26 -4.64 120.51 118.58 1trw n ALA 92 Ca 0.00 -0.04 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 1trw n ALA 92 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1trw n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1trw n ASN 93 N 1.28 5.76 0.07 0.00 2.85 -1.26 -4.84 115.26 119.12 1trw n ASN 93 Ca 0.01 -3.14 0.17 0.00 -0.11 0.00 0.00 54.58 51.51 1trw n ASN 93 Cb 0.50 -1.35 0.68 0.00 1.24 0.00 0.00 39.78 40.85 1trw n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1trw h LYS 94 N 6.32 0.00 0.00 1.20 2.10 -1.99 0.13 116.57 124.33 1trw h LYS 94 Ca 0.19 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.76 1trw h LYS 94 Cb 0.80 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1trw h LYS 94 CO 1.11 0.00 -0.40 0.93 -2.00 0.00 0.00 179.45 179.09 1trw h GLU 95 N 0.00 0.00 -0.21 0.07 5.08 -1.98 -2.60 114.58 114.93 1trw h GLU 95 Ca 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1trw h GLU 95 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1trw h GLU 95 CO -0.00 0.40 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.18 1trw h LYS 96 N 0.00 0.30 -0.93 2.33 3.64 -1.15 -2.26 116.57 118.50 1trw h LYS 96 Ca -0.00 -0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.55 1trw h LYS 96 Cb 0.74 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 1trw h LYS 96 CO 0.05 0.34 0.62 -0.07 -2.27 0.00 0.00 179.45 178.12 1trw h LEU 97 N 0.30 0.38 0.59 5.20 3.38 -1.48 0.37 115.31 124.05 1trw h LEU 97 Ca 0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1trw h LEU 97 Cb 0.22 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1trw h LEU 97 CO 0.01 0.14 -0.28 -0.08 0.09 0.00 0.00 178.44 178.31 1trw h GLU 98 N 0.37 -0.77 -0.22 1.13 4.81 -1.57 0.15 114.58 118.48 1trw h GLU 98 Ca 0.49 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.84 1trw h GLU 98 Cb 1.29 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1trw h GLU 98 CO -0.18 -0.51 0.17 0.00 -0.73 0.00 0.00 179.01 177.76 1trw h ALA 99 N -1.56 2.12 -0.10 2.92 0.00 -1.55 -1.82 119.26 119.26 1trw h ALA 99 Ca -0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1trw h ALA 99 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1trw h ALA 99 CO 0.13 -0.29 -0.28 1.15 0.00 0.00 0.00 179.25 179.96 1trw h THR 100 N 0.00 1.39 -0.56 0.00 2.02 -0.67 -3.01 112.91 112.08 1trw h THR 100 Ca 0.11 -1.60 0.03 0.00 0.77 0.00 0.00 66.41 65.71 1trw h THR 100 Cb 0.45 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1trw h THR 100 CO -0.00 0.47 0.37 0.40 0.37 0.00 0.00 175.52 177.13 1trw h ILE 101 N -0.07 1.08 0.00 3.11 2.04 0.13 0.44 117.51 124.23 1trw h ILE 101 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1trw h ILE 101 Cb 0.89 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1trw h ILE 101 CO 0.06 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.13 1trw n ASN 102 N -4.47 0.00 -0.06 1.72 5.15 -0.95 -2.16 115.26 114.50 1trw n ASN 102 Ca 0.06 -0.90 -0.05 0.00 -0.60 0.00 0.00 54.58 53.10 1trw n ASN 102 Cb 0.12 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.33 1trw n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trw h GLU 103 N 0.00 0.00 -0.51 1.20 4.81 0.01 -3.36 114.58 116.73 1trw h GLU 103 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1trw h GLU 103 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 1trw h GLU 103 CO 0.00 0.34 0.11 1.28 -0.73 0.00 0.00 179.01 180.01 1trw n LEU 104 N -4.72 5.06 0.00 1.64 4.77 -1.23 -5.13 117.00 117.39 1trw n LEU 104 Ca -0.03 -3.23 0.01 0.00 -0.03 0.00 0.00 56.01 52.72 1trw n LEU 104 Cb 0.16 -0.66 0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1trw n LEU 104 CO 0.12 0.83 0.29 0.55 -1.33 0.00 0.00 177.39 177.84