#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 0.10 -0.21 1.12 1.01 -1.26 -3.77 120.40 117.38 1tru s VAL 2 Ca 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 1tru s VAL 2 Cb 0.00 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.54 1tru s VAL 2 CO 0.00 -0.45 0.35 -0.75 0.00 0.00 0.00 175.10 174.25 1tru s LYS 3 N -4.02 0.30 -0.10 2.72 2.47 -0.96 -4.99 119.74 115.16 1tru s LYS 3 Ca 0.21 0.64 -0.29 0.00 -1.56 0.00 0.00 55.97 54.98 1tru s LYS 3 Cb 0.06 -0.32 -0.02 0.00 -1.46 0.00 0.00 37.83 36.10 1tru s LYS 3 CO 0.01 -0.51 0.96 -1.14 0.16 0.00 0.00 175.35 174.83 1tru s GLN 4 N 2.52 4.42 -0.39 4.03 0.74 -1.26 -2.82 119.66 126.90 1tru s GLN 4 Ca 0.07 1.32 -0.22 0.00 0.05 0.00 0.00 55.36 56.57 1tru s GLN 4 Cb -0.14 -3.53 0.01 0.00 1.10 0.00 0.00 33.01 30.45 1tru s GLN 4 CO -0.14 -0.27 0.75 0.42 -0.55 0.00 0.00 175.29 175.49 1tru s ILE 5 N 1.88 4.74 -0.52 -2.34 -1.09 -1.23 -4.89 121.20 117.75 1tru s ILE 5 Ca 0.47 0.63 0.23 0.00 -2.23 0.00 0.00 60.65 59.75 1tru s ILE 5 Cb -0.18 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.50 1tru s ILE 5 CO 0.18 -0.51 1.21 -0.33 -1.23 0.00 0.00 174.94 174.26 1tru h GLU 6 N 8.66 0.00 -2.90 2.79 5.08 -1.94 -3.43 114.58 122.84 1tru h GLU 6 Ca -0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1tru h GLU 6 Cb 1.09 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 1tru h GLU 6 CO 0.91 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.58 1tru s SER 7 N -4.55 -0.57 0.57 1.42 1.04 -1.26 -4.48 113.70 105.87 1tru s SER 7 Ca 0.04 0.07 0.28 0.00 0.48 0.00 0.00 55.95 56.82 1tru s SER 7 Cb 0.12 0.59 1.50 0.00 0.10 0.00 0.00 66.02 68.34 1tru s SER 7 CO 0.75 -0.93 1.98 0.50 0.98 0.00 0.00 173.24 176.53 1tru h LYS 8 N 2.12 0.00 0.33 4.02 3.64 -1.92 -1.42 116.57 123.34 1tru h LYS 8 Ca -0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1tru h LYS 8 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1tru h LYS 8 CO 0.38 0.00 -0.20 1.15 -2.27 0.00 0.00 179.45 178.51 1tru h THR 9 N 0.00 0.58 0.00 1.00 2.02 -2.01 -1.43 112.91 113.07 1tru h THR 9 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1tru h THR 9 Cb 0.95 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1tru h THR 9 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.82 1tru h ALA 10 N 0.15 1.27 0.18 6.16 0.00 -1.67 -2.81 119.26 122.53 1tru h ALA 10 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 10 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1tru h ALA 10 CO 0.03 0.08 -0.09 0.35 0.00 0.00 0.00 179.25 179.63 1tru h PHE 11 N 0.00 -0.22 0.55 0.00 3.57 -0.95 0.35 116.94 120.23 1tru h PHE 11 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.23 0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.05 1tru h PHE 11 CO 0.00 -0.07 -0.26 1.96 -2.23 0.00 0.00 178.31 177.70 1tru h GLN 12 N -0.32 -0.71 -0.08 1.11 4.20 -1.24 -2.19 115.11 115.87 1tru h GLN 12 Ca -0.02 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1tru h GLN 12 Cb 0.25 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1tru h GLN 12 CO 0.04 -0.42 0.08 0.93 -0.67 0.00 0.00 178.83 178.80 1tru h GLU 13 N -0.90 0.00 -0.34 1.46 5.08 -1.54 -1.24 114.58 117.12 1tru h GLU 13 Ca -0.08 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1tru h GLU 13 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1tru h GLU 13 CO 0.12 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.70 1tru h ALA 14 N 1.91 0.59 -0.29 3.43 0.00 0.14 -1.12 119.26 123.92 1tru h ALA 14 Ca 0.04 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1tru h ALA 14 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tru h ALA 14 CO -0.00 0.68 -0.26 -0.07 0.00 0.00 0.00 179.25 179.59 1tru h LEU 15 N 0.69 0.74 -1.06 0.00 3.38 -0.63 -2.19 115.31 116.25 1tru h LEU 15 Ca 0.05 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1tru h LEU 15 Cb 1.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1tru h LEU 15 CO 0.10 1.05 -0.35 -0.78 0.09 0.00 0.00 178.44 178.55 1tru h ASP 16 N 0.44 0.22 0.14 -0.43 3.58 -1.43 -2.71 116.42 116.24 1tru h ASP 16 Ca 0.05 -0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.29 1tru h ASP 16 Cb 0.83 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1tru h ASP 16 CO 0.07 0.56 -0.47 0.00 -2.88 0.00 0.00 179.24 176.52 1tru h ALA 17 N 1.45 0.91 -0.34 -0.78 0.00 -1.05 -2.86 119.26 116.59 1tru h ALA 17 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1tru h ALA 17 Cb 0.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1tru h ALA 17 CO 0.05 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.05 1tru h ALA 18 N 1.19 1.53 0.00 0.00 0.00 -1.06 -3.48 119.26 117.44 1tru h ALA 18 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 18 Cb 0.95 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1tru h ALA 18 CO 0.08 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1tru n GLY 19 N -1.13 2.10 0.54 0.00 0.00 -1.08 -3.25 105.19 102.37 1tru n GLY 19 Ca 0.02 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.56 1tru n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tru n ASP 20 N 8.16 2.87 -4.83 1.61 9.92 -1.26 -3.60 116.55 129.41 1tru n ASP 20 Ca 0.00 -2.17 -0.31 0.00 -0.53 0.00 0.00 54.79 51.79 1tru n ASP 20 Cb 0.00 -0.24 0.05 0.00 -0.64 0.00 0.00 41.12 40.30 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1tru s LYS 21 N -1.30 2.82 0.78 -1.24 1.02 -1.20 -4.81 119.74 115.80 1tru s LYS 21 Ca 0.22 0.77 -0.13 0.00 0.02 0.00 0.00 55.97 56.85 1tru s LYS 21 Cb 0.13 -1.99 0.07 0.00 -0.52 0.00 0.00 37.83 35.52 1tru s LYS 21 CO 0.12 -1.14 1.18 -1.17 -0.92 0.00 0.00 175.35 173.42 1tru s LEU 22 N -5.52 3.17 -0.34 3.17 0.20 -1.26 -4.60 118.68 113.50 1tru s LEU 22 Ca 0.58 2.25 0.02 0.00 0.69 0.00 0.00 54.13 57.67 1tru s LEU 22 Cb -0.13 -4.58 0.15 0.00 -0.43 0.00 0.00 46.19 41.20 1tru s LEU 22 CO 0.54 -2.44 0.34 -0.69 -0.29 0.00 0.00 176.35 173.81 1tru s VAL 23 N -2.25 -0.33 -0.27 1.68 1.01 -0.97 -2.91 120.40 116.35 1tru s VAL 23 Ca 0.71 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1tru s VAL 23 Cb -0.26 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1tru s VAL 23 CO 0.49 -0.56 0.24 -0.69 0.00 0.00 0.00 175.10 174.58 1tru s VAL 24 N 1.75 5.28 0.03 2.92 1.01 -1.00 -0.13 120.40 130.25 1tru s VAL 24 Ca 0.14 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1tru s VAL 24 Cb -0.15 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1tru s VAL 24 CO -0.14 0.24 0.30 -0.69 0.00 0.00 0.00 175.10 174.82 1tru s VAL 25 N 1.69 5.25 -0.24 2.92 1.01 0.74 -2.56 120.40 129.22 1tru s VAL 25 Ca 0.10 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1tru s VAL 25 Cb -0.15 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.69 1tru s VAL 25 CO 0.09 0.35 -0.13 -0.62 0.00 0.00 0.00 175.10 174.79 1tru s ASP 26 N -1.71 4.11 -0.50 3.32 2.15 -0.66 -1.41 116.67 121.97 1tru s ASP 26 Ca 0.29 -1.21 -0.16 0.00 0.43 0.00 0.00 52.55 51.90 1tru s ASP 26 Cb -0.13 -1.53 0.10 0.00 -0.30 0.00 0.00 42.92 41.06 1tru s ASP 26 CO 0.17 -0.14 0.44 -0.36 -0.17 0.00 0.00 175.17 175.10 1tru s PHE 27 N 1.15 3.24 0.18 -5.34 0.08 -0.31 -2.80 117.98 114.19 1tru s PHE 27 Ca -0.06 -1.08 -0.03 0.00 0.12 0.00 0.00 56.93 55.89 1tru s PHE 27 Cb -0.18 -3.45 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 1tru s PHE 27 CO -0.07 -0.90 0.15 -1.12 -0.10 0.00 0.00 175.22 173.19 1tru s SER 28 N 3.03 0.16 -0.58 1.36 0.01 -1.23 -1.80 113.70 114.66 1tru s SER 28 Ca 0.04 -1.27 -0.18 0.00 1.31 0.00 0.00 55.95 55.85 1tru s SER 28 Cb -0.27 0.38 0.11 0.00 0.21 0.00 0.00 66.02 66.45 1tru s SER 28 CO 0.05 -0.84 0.67 0.00 0.41 0.00 0.00 173.24 173.53 1tru s ALA 29 N -4.10 3.46 0.55 1.44 0.00 -1.26 -3.12 121.76 118.72 1tru s ALA 29 Ca 0.32 -2.29 0.25 0.00 0.00 0.00 0.00 51.96 50.24 1tru s ALA 29 Cb 0.06 -3.48 1.48 0.00 0.00 0.00 0.00 23.12 21.18 1tru s ALA 29 CO 0.08 -2.29 2.05 0.00 0.00 0.00 0.00 175.76 175.61 1tru h THR 30 N 5.92 0.66 -0.02 0.00 1.03 -1.95 0.12 112.91 118.67 1tru h THR 30 Ca -0.30 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 65.91 1tru h THR 30 Cb 1.09 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1tru h THR 30 CO 1.09 0.00 -0.84 4.11 -0.01 0.00 0.00 175.52 179.87 1tru h TRP 31 N 0.00 0.40 -3.58 0.00 5.08 -2.02 -3.45 115.95 112.38 1tru h TRP 31 Ca 0.15 -0.21 -0.46 0.00 1.08 0.00 0.00 58.89 59.45 1tru h TRP 31 Cb 0.66 -0.05 0.20 0.00 -3.00 0.00 0.00 29.16 26.97 1tru h TRP 31 CO 0.00 0.99 0.08 0.00 -1.28 0.00 0.00 178.44 178.24 1tru n GLY 33 N 0.46 -0.39 0.35 0.00 0.00 -1.26 -3.94 105.19 100.41 1tru n GLY 33 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 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 0.06 1.61 0.11 -1.95 -0.43 132.00 131.39 1tru h PRO 34 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 1tru h PRO 34 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1tru h PRO 34 CO 0.00 0.00 -0.52 0.00 -0.21 0.00 0.00 178.00 177.27 1tru n LYS 36 N -4.36 0.15 0.00 0.00 4.81 -0.27 -2.22 118.16 116.28 1tru n LYS 36 Ca -0.14 0.47 0.06 0.00 -0.87 0.00 0.00 58.31 57.82 1tru n LYS 36 Cb 0.66 -1.84 0.29 0.00 0.02 0.00 0.00 35.03 34.15 1tru n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1tru n MET 37 N -2.14 0.13 -0.25 1.64 2.81 -0.64 -2.05 117.12 116.62 1tru n MET 37 Ca 0.01 0.21 0.12 0.00 -1.81 0.00 0.00 57.70 56.23 1tru n MET 37 Cb 0.16 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 31.42 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1tru n ILE 38 N -1.34 0.66 0.10 2.02 5.41 -0.94 -4.35 119.36 120.91 1tru n ILE 38 Ca 0.05 -0.83 -0.01 0.00 1.00 0.00 0.00 62.75 62.96 1tru n ILE 38 Cb 0.11 0.84 -0.04 0.00 -0.71 0.00 0.00 39.64 39.83 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 4.41 0.00 0.00 0.38 2.10 -1.63 -2.90 116.57 118.93 1tru h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tru h LYS 39 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1tru h LYS 39 CO 0.00 0.65 0.00 -2.30 -2.00 0.00 0.00 179.45 175.80 1tru n PRO 40 N -3.23 0.34 0.00 0.07 -0.02 -1.26 -1.80 135.00 129.10 1tru n PRO 40 Ca -0.01 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1tru n PRO 40 Cb 0.83 -1.38 -0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1tru n PHE 41 N -0.88 0.00 0.39 6.00 3.72 -1.17 -4.35 117.46 121.17 1tru n PHE 41 Ca 0.06 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.31 1tru n PHE 41 Cb 0.03 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.02 -0.93 0.00 1.38 3.57 -1.55 -2.24 116.94 117.15 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 0.02 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1tru h PHE 42 CO -0.01 -0.58 0.00 1.58 -2.23 0.00 0.00 178.31 177.07 1tru n HIS 43 N -4.88 0.00 0.09 0.41 -0.00 -0.75 -1.69 115.22 108.41 1tru n HIS 43 Ca -0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.06 1tru n HIS 43 Cb 0.40 -0.44 -0.03 0.00 -0.12 0.00 0.00 29.99 29.79 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 0.00 0.26 0.87 -0.94 -3.24 113.55 110.50 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 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1tru h SER 44 CO 0.00 0.59 0.01 0.18 -0.53 0.00 0.00 176.83 177.08 1tru n LEU 45 N -3.11 0.04 -0.11 2.23 4.77 -0.68 -1.70 117.00 118.45 1tru n LEU 45 Ca -0.03 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.53 1tru n LEU 45 Cb 0.80 -0.52 0.40 0.00 -2.33 0.00 0.00 43.42 41.77 1tru n LEU 45 CO 0.42 -0.53 1.20 0.28 -1.33 0.00 0.00 177.39 177.43 1tru h SER 46 N 0.00 0.55 0.81 -1.43 0.02 -1.75 0.46 113.55 112.22 1tru h SER 46 Ca 0.00 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1tru h SER 46 Cb 0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1tru h SER 46 CO 0.00 0.37 -1.28 -0.33 -1.14 0.00 0.00 176.83 174.46 1tru h GLU 47 N 0.64 0.00 0.00 3.45 4.39 -1.61 -3.32 114.58 118.13 1tru h GLU 47 Ca 0.25 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.89 1tru h GLU 47 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1tru h GLU 47 CO -0.07 0.25 -0.42 -0.22 -1.16 0.00 0.00 179.01 177.38 1tru h LYS 48 N 0.00 0.00 -3.56 2.33 3.64 -1.40 -3.41 116.57 114.16 1tru h LYS 48 Ca -0.12 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.53 1tru h LYS 48 Cb 1.47 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.96 1tru h LYS 48 CO 0.04 0.60 -0.16 0.71 -2.27 0.00 0.00 179.45 178.36 1tru s TYR 49 N -2.11 3.63 -1.20 1.91 2.02 0.15 -4.88 117.35 116.88 1tru s TYR 49 Ca -0.16 -2.63 0.17 0.00 -0.37 0.00 0.00 57.07 54.08 1tru s TYR 49 Cb 0.01 -3.38 0.81 0.00 -0.40 0.00 0.00 41.96 39.00 1tru s TYR 49 CO 0.42 -0.85 1.54 -1.13 -1.57 0.00 0.00 175.55 173.96 1tru n SER 50 N 3.28 0.00 -2.24 2.29 3.41 -1.26 -2.86 113.62 116.24 1tru n SER 50 Ca 0.13 0.29 -0.26 0.00 -0.26 0.00 0.00 58.87 58.77 1tru n SER 50 Cb 0.40 -0.40 0.16 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.40 4.41 -4.03 4.04 5.15 -1.26 -4.77 115.26 117.41 1tru n ASN 51 Ca 0.06 -3.63 -0.18 0.00 -0.60 0.00 0.00 54.58 50.23 1tru n ASN 51 Cb 0.17 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.42 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 -3.53 0.69 -0.33 3.44 1.01 -1.14 -4.70 120.40 115.86 1tru s VAL 52 Ca 0.58 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 1tru s VAL 52 Cb 0.48 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1tru s VAL 52 CO 0.09 0.14 0.30 -0.63 0.00 0.00 0.00 175.10 175.00 1tru s ILE 53 N -0.32 5.22 -0.14 2.22 -1.09 -1.15 -4.65 121.20 121.29 1tru s ILE 53 Ca 0.02 0.04 -0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1tru s ILE 53 Cb -0.04 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1tru s ILE 53 CO -0.00 0.00 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.28 1tru s PHE 54 N 1.90 2.94 -0.14 3.97 0.08 -1.25 -2.39 117.98 123.10 1tru s PHE 54 Ca 0.10 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 1tru s PHE 54 Cb -0.17 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1tru s PHE 54 CO 0.11 -0.10 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.57 1tru s LEU 55 N 0.34 3.19 -0.37 -0.37 1.02 -1.06 -2.26 118.68 119.17 1tru s LEU 55 Ca -0.07 -0.13 -0.03 0.00 0.02 0.00 0.00 54.13 53.92 1tru s LEU 55 Cb -0.15 -1.76 0.09 0.00 0.02 0.00 0.00 46.19 44.39 1tru s LEU 55 CO 0.04 0.19 0.14 -0.70 0.02 0.00 0.00 176.35 176.04 1tru s GLU 56 N 0.23 2.19 -0.12 1.70 -6.30 -1.13 -1.65 118.70 113.62 1tru s GLU 56 Ca -0.03 -1.60 -0.04 0.00 -2.50 0.00 0.00 54.97 50.79 1tru s GLU 56 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 34.13 30.48 1tru s GLU 56 CO 0.03 -0.91 0.04 0.08 0.02 0.00 0.00 175.26 174.52 1tru s VAL 57 N 1.20 4.62 -0.33 3.70 1.01 -1.12 -3.52 120.40 125.96 1tru s VAL 57 Ca 0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 57 Cb -0.22 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1tru s VAL 57 CO -0.02 0.56 0.31 -0.62 0.00 0.00 0.00 175.10 175.33 1tru s ASP 58 N -0.47 6.13 0.00 3.32 2.15 -1.26 -3.48 116.67 123.06 1tru s ASP 58 Ca 0.09 -0.26 0.02 0.00 0.43 0.00 0.00 52.55 52.83 1tru s ASP 58 Cb -0.12 -2.17 0.11 0.00 -0.30 0.00 0.00 42.92 40.43 1tru s ASP 58 CO 0.02 -0.28 0.38 1.33 -0.17 0.00 0.00 175.17 176.45 1tru n VAL 59 N 5.18 0.00 -0.05 1.11 0.24 -1.18 -1.25 118.33 122.37 1tru n VAL 59 Ca -0.11 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.12 1tru n VAL 59 Cb 0.50 -0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 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 -0.71 3.07 0.03 -1.34 9.92 -1.26 -4.38 116.55 121.88 1tru n ASP 60 Ca 0.01 -0.05 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 0.02 -0.14 0.00 -0.64 0.00 0.00 41.12 40.36 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 0.46 -2.14 -2.24 3.58 -1.79 -3.37 116.42 110.92 1tru h ASP 61 Ca -0.25 -0.89 -0.76 0.00 0.42 0.00 0.00 57.03 55.56 1tru h ASP 61 Cb 1.42 -0.15 -0.30 0.00 1.72 0.00 0.00 39.33 42.02 1tru h ASP 61 CO -0.03 1.70 0.73 0.00 -2.88 0.00 0.00 179.24 178.76 1tru n ALA 62 N -2.94 5.97 0.13 -0.78 0.00 -0.38 -4.75 120.51 117.75 1tru n ALA 62 Ca -0.26 -4.47 0.08 0.00 0.00 0.00 0.00 53.44 48.80 1tru n ALA 62 Cb 0.97 -1.85 0.42 0.00 0.00 0.00 0.00 19.45 18.98 1tru n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tru n GLN 63 N -0.25 0.10 -0.03 0.00 10.64 -1.26 -1.40 117.38 125.19 1tru n GLN 63 Ca 0.47 0.59 -0.16 0.00 -1.83 0.00 0.00 57.00 56.06 1tru n GLN 63 Cb 0.29 -1.89 -0.09 0.00 -0.86 0.00 0.00 30.24 27.70 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1tru h ASP 64 N 0.00 0.57 0.79 2.61 2.03 -1.94 -2.38 116.42 118.11 1tru h ASP 64 Ca 0.00 -0.64 -0.13 0.00 -0.73 0.00 0.00 57.03 55.53 1tru h ASP 64 Cb 0.11 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.43 1tru h ASP 64 CO 0.00 1.12 -0.62 0.58 -1.03 0.00 0.00 179.24 179.29 1tru h VAL 65 N 0.06 1.32 -0.27 4.15 2.07 -1.61 -2.19 116.25 119.78 1tru h VAL 65 Ca -0.03 -2.20 -0.06 0.00 0.82 0.00 0.00 66.70 65.23 1tru h VAL 65 Cb 1.10 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1tru h VAL 65 CO 0.10 0.60 -0.05 0.00 0.02 0.00 0.00 177.57 178.24 1tru h ALA 66 N 1.38 0.37 -0.06 1.67 0.00 -1.44 0.17 119.26 121.36 1tru h ALA 66 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1tru h ALA 66 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1tru h ALA 66 CO 0.08 0.17 -0.06 1.03 0.00 0.00 0.00 179.25 180.47 1tru h SER 67 N 0.28 0.16 -0.65 0.00 0.87 -1.41 -2.40 113.55 110.40 1tru h SER 67 Ca 0.07 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1tru h SER 67 Cb 0.52 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1tru h SER 67 CO 0.02 0.61 0.33 -0.08 -0.53 0.00 0.00 176.83 177.19 1tru h GLU 68 N -0.29 0.95 0.00 2.24 4.57 -1.41 0.28 114.58 120.92 1tru h GLU 68 Ca 0.01 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1tru h GLU 68 Cb 0.57 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1tru h GLU 68 CO 0.02 0.73 0.00 0.00 -1.18 0.00 0.00 179.01 178.57 1tru n ALA 69 N -2.44 2.16 -3.67 2.92 0.00 0.59 -4.86 120.51 115.22 1tru n ALA 69 Ca 0.06 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 1tru n ALA 69 Cb 0.13 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.23 -4.92 -2.83 0.00 1.02 0.09 -4.89 120.64 107.88 1tru n GLU 70 Ca 0.11 0.61 -0.43 0.00 -0.02 0.00 0.00 57.16 57.43 1tru n GLU 70 Cb 0.15 -5.45 -0.04 0.00 -0.02 0.00 0.00 31.44 26.08 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 -3.19 4.46 -0.19 2.62 1.01 -0.98 -4.84 120.40 119.29 1tru s VAL 71 Ca 0.56 0.62 0.10 0.00 0.00 0.00 0.00 61.98 63.26 1tru s VAL 71 Cb -0.28 -4.45 0.21 0.00 0.00 0.00 0.00 36.38 31.86 1tru s VAL 71 CO 0.69 -0.89 1.14 0.29 0.00 0.00 0.00 175.10 176.32 1tru n LYS 72 N 7.21 2.38 -3.31 2.72 5.02 -1.26 -4.89 118.16 126.04 1tru n LYS 72 Ca 0.05 -2.11 -0.10 0.00 -2.02 0.00 0.00 58.31 54.12 1tru n LYS 72 Cb 0.48 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.87 -1.11 0.22 7.82 0.00 -1.26 -5.15 121.76 120.41 1tru s ALA 73 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1tru s ALA 73 Cb 0.16 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 1tru s ALA 73 CO 0.04 -1.94 0.43 0.95 0.00 0.00 0.00 175.76 175.24 1tru s THR 74 N 2.09 5.16 0.53 0.00 -4.23 -1.26 -4.09 115.64 113.84 1tru s THR 74 Ca 0.13 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 1tru s THR 74 Cb -0.12 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.92 1tru s THR 74 CO -0.19 -0.19 1.01 -2.16 -0.54 0.00 0.00 174.62 172.55 1tru s PRO 75 N -3.34 3.74 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.12 1tru s PRO 75 Ca 0.40 1.12 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1tru s PRO 75 Cb -0.11 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1tru s PRO 75 CO 0.29 -0.46 0.05 0.99 0.04 0.00 0.00 177.00 177.91 1tru s THR 76 N -2.42 -0.09 -0.16 1.26 2.01 -0.74 -3.48 115.64 112.02 1tru s THR 76 Ca 0.62 0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.94 1tru s THR 76 Cb -0.13 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1tru s THR 76 CO 0.29 0.17 0.07 -0.36 -0.69 0.00 0.00 174.62 174.10 1tru s PHE 77 N 1.98 3.30 0.07 4.92 0.08 -1.14 -1.16 117.98 126.03 1tru s PHE 77 Ca 0.03 0.17 0.09 0.00 0.12 0.00 0.00 56.93 57.33 1tru s PHE 77 Cb -0.12 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1tru s PHE 77 CO -0.03 0.28 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.48 1tru s GLN 78 N 0.05 1.48 -0.19 0.44 -0.21 -0.50 -1.97 119.66 118.76 1tru s GLN 78 Ca 0.06 -1.10 -0.05 0.00 0.02 0.00 0.00 55.36 54.30 1tru s GLN 78 Cb -0.12 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.16 1tru s GLN 78 CO 0.01 0.43 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.53 1tru s PHE 79 N -0.90 3.03 0.19 0.91 0.40 0.92 -0.18 117.98 122.34 1tru s PHE 79 Ca 0.10 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.08 1tru s PHE 79 Cb -0.10 -2.04 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 1tru s PHE 79 CO 0.03 -0.19 -0.16 -0.06 0.70 0.00 0.00 175.22 175.54 1tru s PHE 80 N 0.81 1.75 -0.19 0.36 0.08 0.81 -1.56 117.98 120.03 1tru s PHE 80 Ca -0.00 -0.53 -0.14 0.00 0.12 0.00 0.00 56.93 56.38 1tru s PHE 80 Cb -0.14 -0.84 0.06 0.00 -0.57 0.00 0.00 43.02 41.53 1tru s PHE 80 CO 0.02 0.35 0.49 0.21 -0.10 0.00 0.00 175.22 176.19 1tru s LYS 81 N -3.26 0.53 -0.36 0.44 2.47 -0.29 -2.30 119.74 116.96 1tru s LYS 81 Ca 0.19 0.82 0.00 0.00 -1.56 0.00 0.00 55.97 55.42 1tru s LYS 81 Cb -0.03 0.14 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1tru s LYS 81 CO 0.07 -0.12 0.00 1.63 0.16 0.00 0.00 175.35 177.09 1tru n LYS 82 N 3.62 -1.79 -0.93 4.03 5.02 -1.24 0.90 118.16 127.77 1tru n LYS 82 Ca -0.18 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1tru n LYS 82 Cb 0.56 -4.23 0.00 0.00 -0.02 0.00 0.00 35.03 31.34 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 0.35 1.13 2.96 0.72 0.00 -1.26 -4.93 105.19 104.16 1tru n GLY 83 Ca -0.03 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.31 1.04 -0.00 1.61 -0.21 0.26 -5.10 119.66 114.95 1tru s GLN 84 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 1tru s GLN 84 Cb 0.00 -0.96 -0.07 0.00 1.00 0.00 0.00 33.01 32.98 1tru s GLN 84 CO 0.00 0.01 1.63 0.21 -2.12 0.00 0.00 175.29 175.02 1tru s LYS 85 N 0.59 4.20 -0.09 2.91 2.20 -1.26 -1.14 119.74 127.14 1tru s LYS 85 Ca -0.09 2.22 0.10 0.00 -0.36 0.00 0.00 55.97 57.84 1tru s LYS 85 Cb -0.13 -3.81 -0.14 0.00 -1.51 0.00 0.00 37.83 32.25 1tru s LYS 85 CO 0.01 -0.78 0.07 1.33 -0.36 0.00 0.00 175.35 175.62 1tru n VAL 86 N 5.13 0.64 -3.72 4.02 0.24 -0.60 -4.95 118.33 119.08 1tru n VAL 86 Ca 0.16 -0.43 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 1tru n VAL 86 Cb 0.42 -0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 32.19 1tru n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tru s GLY 87 N -4.19 -0.26 -0.14 7.63 0.00 -1.18 -5.03 107.32 104.15 1tru s GLY 87 Ca -0.05 0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.56 1tru s GLY 87 CO 0.45 0.04 1.06 -1.83 0.00 0.00 0.00 173.10 172.82 1tru s GLU 88 N -3.36 0.52 -0.29 2.90 -1.05 -1.26 -0.06 118.70 116.11 1tru s GLU 88 Ca 0.11 -0.04 -0.18 0.00 -0.15 0.00 0.00 54.97 54.70 1tru s GLU 88 Cb -0.02 0.24 0.12 0.00 -0.44 0.00 0.00 34.13 34.04 1tru s GLU 88 CO 0.01 -0.20 0.91 -0.59 0.95 0.00 0.00 175.26 176.34 1tru s PHE 89 N -1.92 -0.67 -0.15 4.83 -0.12 -0.83 -4.99 117.98 114.13 1tru s PHE 89 Ca 0.04 1.39 -0.05 0.00 -0.05 0.00 0.00 56.93 58.25 1tru s PHE 89 Cb -0.01 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.04 -0.33 0.04 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 1.18 5.49 0.00 1.98 1.04 -1.26 -2.88 113.70 119.25 1tru s SER 90 Ca -0.07 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1tru s SER 90 Cb -0.04 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.26 1tru s SER 90 CO -0.14 0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1tru n GLY 91 N 2.99 3.87 2.09 7.32 0.00 -1.23 -4.97 105.19 115.27 1tru n GLY 91 Ca -0.18 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.19 6.72 -3.42 4.61 0.00 -1.26 -4.72 120.51 121.25 1tru n ALA 92 Ca 0.00 -2.31 -0.41 0.00 0.00 0.00 0.00 53.44 50.72 1tru n ALA 92 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 19.45 16.81 1tru n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tru n ASN 93 N 2.81 5.09 0.16 0.00 4.05 -1.26 -4.86 115.26 121.24 1tru n ASN 93 Ca 0.53 -3.12 0.11 0.00 0.45 0.00 0.00 54.58 52.55 1tru n ASN 93 Cb 0.72 -1.23 0.64 0.00 1.23 0.00 0.00 39.78 41.14 1tru n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1tru h LYS 94 N 6.20 0.04 0.00 1.20 2.10 -1.98 0.98 116.57 125.11 1tru h LYS 94 Ca 0.18 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.78 1tru h LYS 94 Cb 0.81 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1tru h LYS 94 CO 0.99 0.03 -0.22 0.93 -2.00 0.00 0.00 179.45 179.18 1tru h GLU 95 N 0.04 0.00 -0.44 0.07 5.08 -1.99 -2.82 114.58 114.52 1tru h GLU 95 Ca 0.09 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1tru h GLU 95 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1tru h GLU 95 CO -0.01 0.22 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.80 1tru h LYS 96 N 0.00 0.92 -0.98 2.33 3.64 -1.21 -2.78 116.57 118.49 1tru h LYS 96 Ca -0.00 -0.40 0.26 0.00 -1.27 0.00 0.00 60.65 59.24 1tru h LYS 96 Cb 0.57 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1tru h LYS 96 CO 0.03 1.06 0.67 -0.07 -2.27 0.00 0.00 179.45 178.87 1tru h LEU 97 N 0.75 0.20 0.04 5.20 3.38 -1.49 0.14 115.31 123.53 1tru h LEU 97 Ca 0.10 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1tru h LEU 97 Cb 0.78 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1tru h LEU 97 CO 0.06 0.06 -0.02 -0.08 0.09 0.00 0.00 178.44 178.55 1tru h GLU 98 N 0.19 -0.05 -0.65 1.13 4.81 -1.60 0.21 114.58 118.62 1tru h GLU 98 Ca 0.50 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.89 1tru h GLU 98 Cb 1.63 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.99 1tru h GLU 98 CO -0.11 -0.03 0.45 0.00 -0.73 0.00 0.00 179.01 178.58 1tru h ALA 99 N -1.96 2.32 0.02 2.92 0.00 -1.54 -1.28 119.26 119.75 1tru h ALA 99 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tru h ALA 99 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1tru h ALA 99 CO 0.01 -0.50 -0.01 1.15 0.00 0.00 0.00 179.25 179.89 1tru h THR 100 N 0.20 1.38 -0.97 0.00 2.02 -0.71 -2.57 112.91 112.26 1tru h THR 100 Ca 0.31 -1.31 0.07 0.00 0.77 0.00 0.00 66.41 66.25 1tru h THR 100 Cb 0.95 2.24 -0.07 0.00 -1.74 0.00 0.00 68.15 69.54 1tru h THR 100 CO -0.06 0.33 0.62 0.40 0.37 0.00 0.00 175.52 177.18 1tru h ILE 101 N -0.61 1.07 0.00 3.11 2.04 0.20 0.48 117.51 123.80 1tru h ILE 101 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1tru h ILE 101 Cb 0.57 -0.15 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 -4.53 0.00 -0.06 1.72 5.15 -0.56 -2.01 115.26 114.97 1tru n ASN 102 Ca 0.15 -0.27 -0.07 0.00 -0.60 0.00 0.00 54.58 53.79 1tru n ASN 102 Cb 0.18 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 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 -0.62 1.20 4.57 0.40 -3.35 114.58 116.79 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tru h GLU 103 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1tru h GLU 103 CO 0.00 0.47 0.00 1.28 -1.18 0.00 0.00 179.01 179.58 1tru n LEU 104 N -4.69 5.31 0.00 1.64 4.77 -1.17 -5.12 117.00 117.74 1tru n LEU 104 Ca -0.06 -2.69 0.06 0.00 -0.03 0.00 0.00 56.01 53.28 1tru n LEU 104 Cb 0.25 -0.66 0.33 0.00 -2.33 0.00 0.00 43.42 41.00 1tru n LEU 104 CO 0.16 0.63 0.55 0.55 -1.33 0.00 0.00 177.39 177.95