#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tru s VAL 2 N 0.00 0.15 -0.21 3.17 1.01 -1.26 -3.28 120.40 119.97 1tru s VAL 2 Ca 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 1tru s VAL 2 Cb 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 36.38 34.94 1tru s VAL 2 CO 0.00 -0.67 0.39 -0.75 0.00 0.00 0.00 175.10 174.08 1tru s LYS 3 N -3.91 0.32 -0.29 2.72 2.47 -0.97 -4.97 119.74 115.10 1tru s LYS 3 Ca 0.10 0.84 -0.28 0.00 -1.56 0.00 0.00 55.97 55.06 1tru s LYS 3 Cb 0.06 0.02 0.01 0.00 -1.46 0.00 0.00 37.83 36.47 1tru s LYS 3 CO -0.08 -0.39 1.04 -1.14 0.16 0.00 0.00 175.35 174.94 1tru s GLN 4 N 2.58 4.11 -0.39 4.03 0.74 -1.26 -2.22 119.66 127.25 1tru s GLN 4 Ca 0.04 1.10 -0.23 0.00 0.05 0.00 0.00 55.36 56.32 1tru s GLN 4 Cb -0.13 -3.71 0.01 0.00 1.10 0.00 0.00 33.01 30.28 1tru s GLN 4 CO -0.14 -0.80 0.78 0.42 -0.55 0.00 0.00 175.29 175.00 1tru s ILE 5 N 3.46 4.71 -0.36 -2.34 -1.09 -1.12 -4.89 121.20 119.58 1tru s ILE 5 Ca 0.44 0.74 0.23 0.00 -2.23 0.00 0.00 60.65 59.82 1tru s ILE 5 Cb -0.13 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1tru s ILE 5 CO 0.13 -0.52 1.06 -0.62 -1.23 0.00 0.00 174.94 173.76 1tru n GLU 6 N 6.50 0.50 -3.47 2.79 1.02 -1.26 -4.53 120.64 122.19 1tru n GLU 6 Ca 0.03 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 1tru n GLU 6 Cb 0.48 -1.75 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1tru s SER 7 N -4.89 -0.51 0.59 1.62 1.04 -1.26 -4.43 113.70 105.85 1tru s SER 7 Ca 0.01 -0.08 0.29 0.00 0.48 0.00 0.00 55.95 56.65 1tru s SER 7 Cb 0.11 0.59 1.55 0.00 0.10 0.00 0.00 66.02 68.38 1tru s SER 7 CO 0.78 -0.98 1.99 0.50 0.98 0.00 0.00 173.24 176.51 1tru h LYS 8 N 2.04 0.00 0.42 4.02 3.64 -1.93 -1.54 116.57 123.22 1tru h LYS 8 Ca -0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1tru h LYS 8 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.38 0.00 -0.24 1.15 -2.27 0.00 0.00 179.45 178.47 1tru h THR 9 N 0.00 0.50 0.00 1.00 2.02 -2.01 -1.56 112.91 112.87 1tru h THR 9 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1tru h THR 9 Cb 0.86 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1tru h THR 9 CO -0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1tru h ALA 10 N -0.06 1.32 0.11 6.16 0.00 -1.70 -2.79 119.26 122.30 1tru h ALA 10 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 10 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tru h ALA 10 CO 0.06 0.10 -0.05 0.35 0.00 0.00 0.00 179.25 179.70 1tru h PHE 11 N 0.00 -0.14 -0.04 0.00 3.57 -0.97 0.26 116.94 119.61 1tru h PHE 11 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1tru h PHE 11 Cb 0.24 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1tru h PHE 11 CO 0.00 -0.02 0.02 1.96 -2.23 0.00 0.00 178.31 178.04 1tru h GLN 12 N -0.23 0.06 -0.27 1.11 1.08 -1.21 -2.00 115.11 113.64 1tru h GLN 12 Ca -0.02 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1tru h GLN 12 Cb 0.18 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1tru h GLN 12 CO 0.03 0.16 0.19 0.93 -0.95 0.00 0.00 178.83 179.19 1tru h GLU 13 N -0.06 0.14 -0.26 1.46 5.08 -1.44 -1.00 114.58 118.49 1tru h GLU 13 Ca 0.01 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1tru h GLU 13 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1tru h GLU 13 CO -0.00 0.09 -0.47 0.00 -1.00 0.00 0.00 179.01 177.63 1tru h ALA 14 N 1.86 0.69 0.00 3.43 0.00 -0.31 0.88 119.26 125.80 1tru h ALA 14 Ca 0.12 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1tru h ALA 14 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tru h ALA 14 CO -0.02 0.67 -0.00 -0.07 0.00 0.00 0.00 179.25 179.83 1tru h LEU 15 N 0.54 -0.01 -1.02 0.00 3.38 -0.51 -0.62 115.31 117.07 1tru h LEU 15 Ca 0.03 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 1tru h LEU 15 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1tru h LEU 15 CO 0.10 0.42 -0.34 -0.78 0.09 0.00 0.00 178.44 177.93 1tru h ASP 16 N -0.43 0.28 0.20 -0.43 3.58 -1.42 -2.68 116.42 115.54 1tru h ASP 16 Ca -0.00 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.22 1tru h ASP 16 Cb 0.42 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1tru h ASP 16 CO 0.00 0.61 -0.48 0.00 -2.88 0.00 0.00 179.24 176.50 1tru h ALA 17 N 1.41 0.95 0.00 -0.78 0.00 -0.73 -2.72 119.26 117.39 1tru h ALA 17 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1tru h ALA 17 Cb 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tru h ALA 17 CO 0.05 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.84 1tru h ALA 18 N 1.24 1.80 -0.00 0.00 0.00 -0.75 -3.47 119.26 118.07 1tru h ALA 18 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tru h ALA 18 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1tru h ALA 18 CO 0.08 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1tru n GLY 19 N -1.20 2.02 0.49 0.00 0.00 -1.03 -3.14 105.19 102.33 1tru n GLY 19 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.54 1tru n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tru n ASP 20 N 8.78 2.68 -4.82 1.61 2.03 -1.26 -3.94 116.55 121.62 1tru n ASP 20 Ca 0.00 -1.97 -0.30 0.00 0.52 0.00 0.00 54.79 53.03 1tru n ASP 20 Cb 0.00 -0.17 0.06 0.00 -0.72 0.00 0.00 41.12 40.29 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1tru s LYS 21 N -0.99 2.64 0.82 -0.67 1.02 -1.19 -4.84 119.74 116.53 1tru s LYS 21 Ca 0.18 0.77 -0.12 0.00 0.02 0.00 0.00 55.97 56.82 1tru s LYS 21 Cb 0.09 -1.97 0.09 0.00 -0.52 0.00 0.00 37.83 35.52 1tru s LYS 21 CO 0.12 -1.26 1.16 -0.51 -0.92 0.00 0.00 175.35 173.93 1tru s LEU 22 N -5.60 3.06 -0.32 3.17 1.43 -1.26 -4.65 118.68 114.51 1tru s LEU 22 Ca 0.59 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.87 1tru s LEU 22 Cb -0.14 -4.57 0.14 0.00 0.03 0.00 0.00 46.19 41.66 1tru s LEU 22 CO 0.54 -2.57 0.31 -0.69 0.23 0.00 0.00 176.35 174.17 1tru s VAL 23 N -2.46 -0.33 -0.30 -1.59 1.01 -0.94 -3.10 120.40 112.69 1tru s VAL 23 Ca 0.68 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1tru s VAL 23 Cb -0.24 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1tru s VAL 23 CO 0.53 -0.55 0.25 -0.69 0.00 0.00 0.00 175.10 174.64 1tru s VAL 24 N 1.94 5.27 -0.12 2.92 1.01 -1.03 -0.38 120.40 130.02 1tru s VAL 24 Ca 0.13 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1tru s VAL 24 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1tru s VAL 24 CO -0.21 0.13 0.27 -0.69 0.00 0.00 0.00 175.10 174.61 1tru s VAL 25 N 1.83 5.29 -0.33 2.92 1.01 0.38 -2.58 120.40 128.92 1tru s VAL 25 Ca 0.09 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1tru s VAL 25 Cb -0.16 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1tru s VAL 25 CO 0.11 0.49 0.12 -0.62 0.00 0.00 0.00 175.10 175.20 1tru s ASP 26 N -0.24 5.37 -0.62 3.32 2.15 -0.81 -1.14 116.67 124.70 1tru s ASP 26 Ca 0.17 -0.97 -0.16 0.00 0.43 0.00 0.00 52.55 52.03 1tru s ASP 26 Cb -0.13 -1.91 0.14 0.00 -0.30 0.00 0.00 42.92 40.72 1tru s ASP 26 CO 0.06 -0.30 0.60 -0.36 -0.17 0.00 0.00 175.17 175.00 1tru s PHE 27 N 1.47 3.31 0.17 -5.34 0.08 0.41 -2.85 117.98 115.23 1tru s PHE 27 Ca 0.01 -1.38 -0.04 0.00 0.12 0.00 0.00 56.93 55.63 1tru s PHE 27 Cb -0.19 -3.85 -0.03 0.00 -0.57 0.00 0.00 43.02 38.38 1tru s PHE 27 CO 0.04 -1.07 0.18 -1.12 -0.10 0.00 0.00 175.22 173.14 1tru s SER 28 N 3.31 0.15 -0.56 1.36 0.01 -1.23 -1.26 113.70 115.48 1tru s SER 28 Ca 0.08 -1.17 -0.20 0.00 1.31 0.00 0.00 55.95 55.97 1tru s SER 28 Cb -0.24 0.39 0.07 0.00 0.21 0.00 0.00 66.02 66.45 1tru s SER 28 CO 0.01 -0.85 0.72 0.00 0.41 0.00 0.00 173.24 173.53 1tru s ALA 29 N -4.07 3.35 0.51 1.44 0.00 -1.26 -3.09 121.76 118.64 1tru s ALA 29 Ca 0.28 -1.89 0.22 0.00 0.00 0.00 0.00 51.96 50.57 1tru s ALA 29 Cb 0.06 -3.51 1.32 0.00 0.00 0.00 0.00 23.12 20.99 1tru s ALA 29 CO 0.06 -2.25 2.00 0.00 0.00 0.00 0.00 175.76 175.57 1tru h THR 30 N 5.91 0.78 -0.03 0.00 1.03 -1.95 -1.02 112.91 117.63 1tru h THR 30 Ca -0.28 -0.03 -0.18 0.00 -0.01 0.00 0.00 66.41 65.91 1tru h THR 30 Cb 1.09 0.70 0.01 0.00 -1.07 0.00 0.00 68.15 68.88 1tru h THR 30 CO 1.05 0.01 -0.68 4.11 -0.01 0.00 0.00 175.52 180.01 1tru h TRP 31 N 0.08 0.75 -2.02 0.00 5.08 -2.01 -3.43 115.95 114.40 1tru h TRP 31 Ca 0.24 -0.38 -0.49 0.00 1.08 0.00 0.00 58.89 59.34 1tru h TRP 31 Cb 0.86 -0.09 0.24 0.00 -3.00 0.00 0.00 29.16 27.16 1tru h TRP 31 CO -0.00 1.20 -1.65 0.00 -1.28 0.00 0.00 178.44 176.71 1tru n GLY 33 N 2.62 -0.44 0.36 0.00 0.00 -1.26 -3.61 105.19 102.86 1tru n GLY 33 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1tru n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tru h PRO 34 N 0.00 0.00 0.00 1.61 0.11 -1.95 0.34 132.00 132.10 1tru h PRO 34 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1tru h PRO 34 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1tru h PRO 34 CO 0.00 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.57 1tru n LYS 36 N -4.65 0.13 0.10 0.00 4.81 -0.53 -1.71 118.16 116.32 1tru n LYS 36 Ca -0.09 0.47 0.10 0.00 -0.87 0.00 0.00 58.31 57.92 1tru n LYS 36 Cb 0.32 -1.80 0.44 0.00 0.02 0.00 0.00 35.03 34.01 1tru n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1tru n MET 37 N -2.06 0.14 -1.00 1.64 1.56 0.11 -2.25 117.12 115.26 1tru n MET 37 Ca 0.01 0.41 -0.13 0.00 -0.27 0.00 0.00 57.70 57.72 1tru n MET 37 Cb 0.14 -1.78 0.22 0.00 2.15 0.00 0.00 33.22 33.95 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1tru n ILE 38 N -2.05 2.81 0.05 1.12 5.41 -0.69 -4.37 119.36 121.64 1tru n ILE 38 Ca 0.02 -1.56 0.02 0.00 1.00 0.00 0.00 62.75 62.23 1tru n ILE 38 Cb 0.19 -0.46 -0.06 0.00 -0.71 0.00 0.00 39.64 38.60 1tru n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1tru h LYS 39 N 1.73 0.00 0.00 0.38 2.10 -1.67 -3.26 116.57 115.86 1tru h LYS 39 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1tru h LYS 39 Cb 2.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.74 1tru h LYS 39 CO 0.82 0.25 0.00 -0.35 -2.00 0.00 0.00 179.45 178.17 1tru n PRO 40 N -2.88 0.70 0.00 0.07 -0.04 -1.26 -2.78 135.00 128.82 1tru n PRO 40 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.79 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tru n PHE 41 N -0.78 0.00 0.40 0.54 3.72 -1.25 -4.38 117.46 115.71 1tru n PHE 41 Ca 0.10 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 1tru n PHE 41 Cb 0.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tru h PHE 42 N 0.00 -0.93 0.00 1.38 3.57 -1.69 -2.01 116.94 117.26 1tru h PHE 42 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 42 Cb 0.00 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1tru h PHE 42 CO 0.00 -0.58 0.00 1.58 -2.23 0.00 0.00 178.31 177.08 1tru n HIS 43 N -4.78 0.00 0.02 0.41 -0.00 -1.12 -1.97 115.22 107.78 1tru n HIS 43 Ca -0.12 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.02 1tru n HIS 43 Cb 0.40 -0.16 -0.10 0.00 -0.12 0.00 0.00 29.99 30.00 1tru n HIS 43 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1tru h SER 44 N 0.00 0.00 0.05 0.26 0.87 -1.30 -3.30 113.55 110.13 1tru h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tru h SER 44 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1tru h SER 44 CO 0.00 0.77 0.00 0.18 -0.53 0.00 0.00 176.83 177.25 1tru n LEU 45 N -3.00 0.00 -0.19 2.23 4.77 -0.83 -2.09 117.00 117.89 1tru n LEU 45 Ca -0.11 0.45 0.06 0.00 -0.03 0.00 0.00 56.01 56.37 1tru n LEU 45 Cb 0.92 -0.45 0.33 0.00 -2.33 0.00 0.00 43.42 41.90 1tru n LEU 45 CO 0.44 -0.42 1.22 0.28 -1.33 0.00 0.00 177.39 177.58 1tru h SER 46 N 0.00 0.70 0.69 -1.43 0.02 -1.75 0.47 113.55 112.25 1tru h SER 46 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1tru h SER 46 Cb 0.03 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1tru h SER 46 CO 0.00 0.46 -1.42 -0.62 -1.14 0.00 0.00 176.83 174.11 1tru n GLU 47 N -4.47 0.62 -0.08 3.45 1.02 -0.89 -4.07 120.64 116.22 1tru n GLU 47 Ca 0.10 0.20 -0.14 0.00 -0.02 0.00 0.00 57.16 57.31 1tru n GLU 47 Cb 0.20 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 1tru n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1tru h LYS 48 N 0.00 0.00 -3.54 3.49 3.11 -1.47 -3.41 116.57 114.75 1tru h LYS 48 Ca -0.16 0.00 -0.74 0.00 -2.81 0.00 0.00 60.65 56.94 1tru h LYS 48 Cb 1.54 0.00 -0.32 0.00 -1.00 0.00 0.00 32.23 32.45 1tru h LYS 48 CO 0.04 0.76 -0.02 0.71 -2.81 0.00 0.00 179.45 178.13 1tru s TYR 49 N -2.17 3.81 -1.16 1.91 2.02 0.16 -4.87 117.35 117.05 1tru s TYR 49 Ca -0.19 -2.66 0.18 0.00 -0.37 0.00 0.00 57.07 54.02 1tru s TYR 49 Cb 0.01 -3.47 0.80 0.00 -0.40 0.00 0.00 41.96 38.90 1tru s TYR 49 CO 0.51 -0.86 1.55 -1.13 -1.57 0.00 0.00 175.55 174.05 1tru n SER 50 N 3.05 0.00 -2.23 2.29 3.41 -1.26 -2.94 113.62 115.94 1tru n SER 50 Ca 0.17 0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 58.84 1tru n SER 50 Cb 0.40 -0.42 0.15 0.00 -0.26 0.00 0.00 64.21 64.07 1tru n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tru n ASN 51 N -1.42 4.95 -4.00 4.04 5.15 -1.26 -4.30 115.26 118.42 1tru n ASN 51 Ca 0.06 -3.63 -0.17 0.00 -0.60 0.00 0.00 54.58 50.24 1tru n ASN 51 Cb 0.18 -0.88 -0.14 0.00 -0.53 0.00 0.00 39.78 38.41 1tru n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tru s VAL 52 N -3.68 0.59 -0.29 3.44 1.01 -1.15 -4.75 120.40 115.56 1tru s VAL 52 Ca 0.58 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1tru s VAL 52 Cb 0.48 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 36.31 1tru s VAL 52 CO 0.07 0.11 0.31 -0.63 0.00 0.00 0.00 175.10 174.96 1tru s ILE 53 N -0.30 5.21 -0.16 2.22 -1.09 -1.18 -3.04 121.20 122.87 1tru s ILE 53 Ca 0.02 0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.72 1tru s ILE 53 Cb -0.04 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1tru s ILE 53 CO -0.00 0.11 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.37 1tru s PHE 54 N 1.96 2.89 -0.12 3.97 0.08 -1.21 -2.46 117.98 123.10 1tru s PHE 54 Ca 0.12 -0.64 -0.03 0.00 0.12 0.00 0.00 56.93 56.50 1tru s PHE 54 Cb -0.16 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1tru s PHE 54 CO 0.11 -0.25 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.44 1tru s LEU 55 N 0.61 3.40 -0.34 -0.37 1.02 -1.07 -2.29 118.68 119.64 1tru s LEU 55 Ca -0.05 0.00 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1tru s LEU 55 Cb -0.15 -1.79 0.07 0.00 0.02 0.00 0.00 46.19 44.33 1tru s LEU 55 CO 0.03 0.28 0.09 -0.70 0.02 0.00 0.00 176.35 176.06 1tru s GLU 56 N -0.27 2.32 -0.18 1.70 2.12 -0.94 -1.93 118.70 121.51 1tru s GLU 56 Ca 0.05 -1.44 -0.07 0.00 0.36 0.00 0.00 54.97 53.88 1tru s GLU 56 Cb -0.12 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1tru s GLU 56 CO 0.02 -0.78 0.05 0.08 -0.54 0.00 0.00 175.26 174.09 1tru s VAL 57 N 1.24 4.62 -0.38 3.70 1.01 -1.13 -2.79 120.40 126.67 1tru s VAL 57 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1tru s VAL 57 Cb -0.21 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1tru s VAL 57 CO -0.01 0.46 0.42 -0.62 0.00 0.00 0.00 175.10 175.35 1tru s ASP 58 N 0.42 6.21 0.00 3.32 2.15 -1.26 -3.53 116.67 123.97 1tru s ASP 58 Ca 0.02 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.61 1tru s ASP 58 Cb -0.13 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1tru s ASP 58 CO 0.01 -0.47 0.24 1.33 -0.17 0.00 0.00 175.17 176.10 1tru n VAL 59 N 5.36 0.15 0.00 1.11 0.24 -1.18 -1.55 118.33 122.46 1tru n VAL 59 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1tru n VAL 59 Cb 0.48 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 1tru n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tru n ASP 60 N 0.56 2.28 0.01 -1.34 9.92 -1.26 -4.71 116.55 122.01 1tru n ASP 60 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 1tru n ASP 60 Cb 0.12 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.46 1tru n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1tru h ASP 61 N 0.00 0.41 -2.17 -2.24 3.58 -1.86 -3.38 116.42 110.75 1tru h ASP 61 Ca 0.00 -0.89 -0.78 0.00 0.42 0.00 0.00 57.03 55.78 1tru h ASP 61 Cb 0.58 -0.13 -0.28 0.00 1.72 0.00 0.00 39.33 41.21 1tru h ASP 61 CO 0.00 1.80 0.90 0.00 -2.88 0.00 0.00 179.24 179.06 1tru n ALA 62 N -2.95 6.08 0.27 -0.78 0.00 -0.60 -4.74 120.51 117.79 1tru n ALA 62 Ca -0.30 -4.49 0.18 0.00 0.00 0.00 0.00 53.44 48.83 1tru n ALA 62 Cb 1.05 -2.01 0.98 0.00 0.00 0.00 0.00 19.45 19.46 1tru n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1tru h GLN 63 N 3.80 0.00 -0.15 0.00 1.08 -1.77 -1.64 115.11 116.43 1tru h GLN 63 Ca 0.52 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.61 1tru h GLN 63 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1tru h GLN 63 CO 1.21 0.00 -0.33 0.38 -0.95 0.00 0.00 178.83 179.15 1tru h ASP 64 N 0.00 0.55 0.46 1.46 2.03 -1.93 -1.16 116.42 117.82 1tru h ASP 64 Ca 0.00 -0.56 -0.17 0.00 -0.73 0.00 0.00 57.03 55.56 1tru h ASP 64 Cb 0.00 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.33 1tru h ASP 64 CO 0.00 1.01 -0.75 0.58 -1.03 0.00 0.00 179.24 179.06 1tru h VAL 65 N 0.11 1.44 -0.57 4.15 2.07 -1.71 -1.72 116.25 120.02 1tru h VAL 65 Ca 0.00 -2.30 -0.09 0.00 0.82 0.00 0.00 66.70 65.13 1tru h VAL 65 Cb 0.93 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1tru h VAL 65 CO 0.07 0.67 0.00 0.00 0.02 0.00 0.00 177.57 178.34 1tru h ALA 66 N 1.06 0.76 -0.16 1.67 0.00 -1.34 0.15 119.26 121.41 1tru h ALA 66 Ca -0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1tru h ALA 66 Cb 1.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1tru h ALA 66 CO 0.12 0.59 -0.18 0.77 0.00 0.00 0.00 179.25 180.54 1tru h SER 67 N 0.88 0.44 -0.44 0.00 0.02 -1.15 -1.02 113.55 112.28 1tru h SER 67 Ca 0.16 -0.49 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1tru h SER 67 Cb 0.54 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1tru h SER 67 CO 0.03 0.84 0.18 -0.08 -1.14 0.00 0.00 176.83 176.66 1tru h GLU 68 N 0.05 0.66 0.00 3.45 4.22 -1.20 -1.18 114.58 120.58 1tru h GLU 68 Ca 0.02 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1tru h GLU 68 Cb 0.73 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1tru h GLU 68 CO 0.04 0.60 0.00 0.00 -2.18 0.00 0.00 179.01 177.48 1tru n ALA 69 N -2.32 2.30 -3.73 2.92 0.00 0.53 -4.87 120.51 115.35 1tru n ALA 69 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1tru n ALA 69 Cb 0.15 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.26 1tru n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tru n GLU 70 N -1.03 -4.51 -2.69 0.00 1.02 -0.45 -4.87 120.64 108.11 1tru n GLU 70 Ca 0.16 0.58 -0.42 0.00 -0.02 0.00 0.00 57.16 57.46 1tru n GLU 70 Cb 0.09 -5.05 -0.03 0.00 -0.02 0.00 0.00 31.44 26.42 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tru s VAL 71 N -3.71 4.03 -0.26 2.62 1.01 -0.46 -4.77 120.40 118.86 1tru s VAL 71 Ca 0.02 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1tru s VAL 71 Cb -0.01 -4.78 0.08 0.00 0.00 0.00 0.00 36.38 31.68 1tru s VAL 71 CO 0.82 -1.58 1.06 0.29 0.00 0.00 0.00 175.10 175.69 1tru n LYS 72 N 8.50 2.85 -3.31 2.72 5.02 -1.26 -4.87 118.16 127.82 1tru n LYS 72 Ca 0.01 -1.62 -0.12 0.00 -2.02 0.00 0.00 58.31 54.56 1tru n LYS 72 Cb 0.48 -1.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tru s ALA 73 N -0.98 -0.98 0.23 7.82 0.00 -1.26 -5.14 121.76 121.45 1tru s ALA 73 Ca 0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 1tru s ALA 73 Cb 0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 1tru s ALA 73 CO 0.04 -2.17 0.45 0.95 0.00 0.00 0.00 175.76 175.03 1tru s THR 74 N 1.51 5.13 0.48 0.00 -4.23 -1.26 -4.04 115.64 113.22 1tru s THR 74 Ca 0.17 -0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.32 1tru s THR 74 Cb -0.12 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.04 -0.20 0.99 -2.16 -0.54 0.00 0.00 174.62 172.68 1tru s PRO 75 N -3.33 3.96 -0.04 3.99 0.04 -1.26 -5.02 135.00 133.35 1tru s PRO 75 Ca 0.41 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 1tru s PRO 75 Cb -0.11 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1tru s PRO 75 CO 0.29 -0.27 0.03 0.99 0.04 0.00 0.00 177.00 178.07 1tru s THR 76 N -2.20 0.06 -0.11 1.26 2.01 -0.39 -3.50 115.64 112.77 1tru s THR 76 Ca 0.64 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.82 1tru s THR 76 Cb -0.12 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1tru s THR 76 CO 0.20 0.16 0.04 -0.36 -0.69 0.00 0.00 174.62 173.97 1tru s PHE 77 N 1.50 3.26 -0.01 4.92 0.40 -1.12 -0.44 117.98 126.49 1tru s PHE 77 Ca -0.03 0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.57 1tru s PHE 77 Cb -0.13 -1.88 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1tru s PHE 77 CO -0.03 0.44 -0.19 -0.65 0.70 0.00 0.00 175.22 175.49 1tru s GLN 78 N -0.62 1.52 -0.37 0.44 -0.21 -0.29 -2.26 119.66 117.87 1tru s GLN 78 Ca 0.11 -0.71 -0.10 0.00 0.02 0.00 0.00 55.36 54.68 1tru s GLN 78 Cb -0.12 -1.48 0.03 0.00 1.00 0.00 0.00 33.01 32.44 1tru s GLN 78 CO 0.02 0.40 0.18 -0.06 -2.12 0.00 0.00 175.29 173.71 1tru s PHE 79 N -0.49 3.25 0.19 0.91 0.40 0.78 -0.47 117.98 122.55 1tru s PHE 79 Ca 0.07 -1.13 0.08 0.00 -0.60 0.00 0.00 56.93 55.35 1tru s PHE 79 Cb -0.07 -2.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1tru s PHE 79 CO -0.00 -0.68 -0.02 -0.06 0.70 0.00 0.00 175.22 175.15 1tru s PHE 80 N 1.50 2.78 -0.21 0.36 0.08 0.49 -0.75 117.98 122.23 1tru s PHE 80 Ca 0.01 -0.17 -0.14 0.00 0.12 0.00 0.00 56.93 56.75 1tru s PHE 80 Cb -0.19 -1.33 0.06 0.00 -0.57 0.00 0.00 43.02 40.99 1tru s PHE 80 CO 0.05 0.53 0.52 0.21 -0.10 0.00 0.00 175.22 176.44 1tru s LYS 81 N -3.03 0.55 0.00 0.44 2.20 -0.48 -2.22 119.74 117.20 1tru s LYS 81 Ca 0.27 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1tru s LYS 81 Cb -0.09 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1tru s LYS 81 CO 0.18 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.67 1tru n LYS 82 N 3.75 -2.00 -0.53 4.03 5.02 -1.25 0.82 118.16 127.99 1tru n LYS 82 Ca -0.19 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1tru n LYS 82 Cb 0.57 -4.03 0.00 0.00 -0.02 0.00 0.00 35.03 31.54 1tru n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tru n GLY 83 N 0.61 1.29 2.92 0.72 0.00 -1.26 -4.98 105.19 104.49 1tru n GLY 83 Ca 0.00 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1tru n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tru s GLN 84 N -1.56 1.12 -0.27 1.61 -0.21 0.24 -5.09 119.66 115.50 1tru s GLN 84 Ca 0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1tru s GLN 84 Cb 0.00 -1.09 -0.03 0.00 1.00 0.00 0.00 33.01 32.89 1tru s GLN 84 CO 0.00 -0.09 1.80 0.21 -2.12 0.00 0.00 175.29 175.09 1tru s LYS 85 N 1.04 3.48 -0.23 2.91 2.20 -1.26 -1.38 119.74 126.50 1tru s LYS 85 Ca -0.09 1.62 0.13 0.00 -0.36 0.00 0.00 55.97 57.27 1tru s LYS 85 Cb -0.14 -4.17 0.46 0.00 -1.51 0.00 0.00 37.83 32.47 1tru s LYS 85 CO -0.00 -1.69 1.36 1.33 -0.36 0.00 0.00 175.35 175.99 1tru n VAL 86 N 7.11 2.33 0.00 4.02 0.24 0.07 -4.98 118.33 127.11 1tru n VAL 86 Ca 0.22 -2.57 0.00 0.00 -2.04 0.00 0.00 64.34 59.95 1tru n VAL 86 Cb 0.46 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1tru n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tru n GLY 87 N -1.04 3.50 3.60 7.63 0.00 -1.19 -4.94 105.19 112.75 1tru n GLY 87 Ca 0.25 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 1tru n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tru s GLU 88 N -2.03 0.44 -0.28 1.61 2.12 -1.26 -0.16 118.70 119.13 1tru s GLU 88 Ca 0.00 0.15 -0.19 0.00 0.36 0.00 0.00 54.97 55.28 1tru s GLU 88 Cb 0.00 0.21 0.12 0.00 0.26 0.00 0.00 34.13 34.72 1tru s GLU 88 CO 0.00 -0.13 0.94 -0.59 -0.54 0.00 0.00 175.26 174.94 1tru s PHE 89 N -0.93 -0.63 -0.17 5.30 -0.12 -0.96 -5.00 117.98 115.47 1tru s PHE 89 Ca 0.02 1.34 -0.06 0.00 -0.05 0.00 0.00 56.93 58.18 1tru s PHE 89 Cb -0.01 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.02 -0.31 0.02 -1.54 -0.05 0.00 0.00 175.22 173.32 1tru s SER 90 N 0.99 5.26 0.00 1.98 1.04 -1.26 -2.81 113.70 118.90 1tru s SER 90 Ca -0.05 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1tru s SER 90 Cb -0.04 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1tru s SER 90 CO -0.12 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1tru n GLY 91 N 3.48 3.89 2.22 7.32 0.00 -1.23 -4.98 105.19 115.89 1tru n GLY 91 Ca -0.17 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1tru n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tru n ALA 92 N -1.18 7.13 -3.48 4.61 0.00 -1.26 -4.78 120.51 121.55 1tru n ALA 92 Ca 0.00 -2.97 -0.42 0.00 0.00 0.00 0.00 53.44 50.05 1tru n ALA 92 Cb 0.00 -2.98 -0.05 0.00 0.00 0.00 0.00 19.45 16.43 1tru n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tru s ASN 93 N 2.01 6.26 0.43 0.00 3.84 -1.26 -4.89 114.94 121.33 1tru s ASN 93 Ca 0.68 -2.94 0.09 0.00 0.21 0.00 0.00 52.86 50.91 1tru s ASN 93 Cb 0.23 -2.07 0.94 0.00 -0.55 0.00 0.00 41.25 39.81 1tru s ASN 93 CO -0.04 -0.44 2.06 0.07 -2.79 0.00 0.00 177.10 175.96 1tru h LYS 94 N 7.26 0.38 0.00 0.43 -0.00 -2.00 -0.84 116.57 121.80 1tru h LYS 94 Ca 0.08 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.65 60.64 1tru h LYS 94 Cb 0.97 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 33.11 1tru h LYS 94 CO 0.77 0.28 -0.28 0.93 -0.00 0.00 0.00 179.45 181.15 1tru h GLU 95 N 0.39 0.00 -0.46 0.07 5.08 -2.00 -2.89 114.58 114.77 1tru h GLU 95 Ca 0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1tru h GLU 95 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1tru h GLU 95 CO -0.02 0.28 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.89 1tru h LYS 96 N 0.00 0.93 -0.99 2.33 3.64 -1.56 -2.85 116.57 118.06 1tru h LYS 96 Ca -0.00 -0.38 0.21 0.00 -1.27 0.00 0.00 60.65 59.21 1tru h LYS 96 Cb 0.64 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.32 1tru h LYS 96 CO 0.04 1.04 0.62 -0.07 -2.27 0.00 0.00 179.45 178.80 1tru h LEU 97 N 0.77 0.66 0.57 5.20 3.38 -1.46 0.20 115.31 124.63 1tru h LEU 97 Ca 0.11 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1tru h LEU 97 Cb 0.72 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1tru h LEU 97 CO 0.06 0.22 -0.27 -0.08 0.09 0.00 0.00 178.44 178.45 1tru h GLU 98 N 0.64 -0.73 -1.00 1.13 4.81 -1.60 0.27 114.58 118.09 1tru h GLU 98 Ca 0.56 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.97 1tru h GLU 98 Cb 1.05 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.51 1tru h GLU 98 CO -0.33 -0.49 0.63 0.00 -0.73 0.00 0.00 179.01 178.08 1tru h ALA 99 N -1.34 1.52 0.04 2.92 0.00 -1.36 0.12 119.26 121.15 1tru h ALA 99 Ca -0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tru h ALA 99 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1tru h ALA 99 CO 0.13 0.19 -0.02 1.15 0.00 0.00 0.00 179.25 180.70 1tru h THR 100 N 0.97 1.31 -0.95 0.00 2.02 -0.61 -2.62 112.91 113.02 1tru h THR 100 Ca 0.50 -1.22 0.07 0.00 0.77 0.00 0.00 66.41 66.53 1tru h THR 100 Cb 0.53 2.11 -0.07 0.00 -1.74 0.00 0.00 68.15 68.98 1tru h THR 100 CO -0.28 0.30 0.60 0.40 0.37 0.00 0.00 175.52 176.92 1tru h ILE 101 N -0.60 1.06 0.00 3.11 2.04 0.02 0.46 117.51 123.60 1tru h ILE 101 Ca -0.01 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.54 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1tru h ILE 101 CO 0.01 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.55 0.00 -0.06 1.72 5.15 0.36 -2.20 115.26 115.67 1tru n ASN 102 Ca 0.15 -0.49 -0.06 0.00 -0.60 0.00 0.00 54.58 53.57 1tru n ASN 102 Cb 0.19 -0.08 -0.05 0.00 -0.53 0.00 0.00 39.78 39.31 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1tru h GLU 103 N 0.00 0.00 -0.63 1.20 4.81 0.33 -3.35 114.58 116.95 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tru h GLU 103 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1tru h GLU 103 CO 0.00 0.39 0.00 1.28 -0.73 0.00 0.00 179.01 179.95 1tru n LEU 104 N -4.70 5.14 0.00 1.64 4.77 -1.19 -5.12 117.00 117.54 1tru n LEU 104 Ca -0.05 -2.61 0.05 0.00 -0.03 0.00 0.00 56.01 53.38 1tru n LEU 104 Cb 0.20 -0.64 0.32 0.00 -2.33 0.00 0.00 43.42 40.98 1tru n LEU 104 CO 0.13 0.65 0.54 0.55 -1.33 0.00 0.00 177.39 177.94