#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 0.18 -0.21 1.12 1.01 -1.26 -3.26 120.40 117.97 1tru s VAL 2 Ca 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.48 1tru s VAL 2 Cb 0.00 -1.38 0.11 0.00 0.00 0.00 0.00 36.38 35.11 1tru s VAL 2 CO 0.00 -0.80 0.38 -0.75 0.00 0.00 0.00 175.10 173.93 1tru s LYS 3 N -3.77 0.31 -0.13 2.72 2.47 -1.12 -5.00 119.74 115.22 1tru s LYS 3 Ca 0.05 0.77 -0.29 0.00 -1.56 0.00 0.00 55.97 54.94 1tru s LYS 3 Cb 0.06 -0.10 -0.01 0.00 -1.46 0.00 0.00 37.83 36.32 1tru s LYS 3 CO -0.10 -0.43 0.98 -1.14 0.16 0.00 0.00 175.35 174.82 1tru s GLN 4 N 2.55 4.39 -0.50 4.03 0.74 -1.26 -2.91 119.66 126.70 1tru s GLN 4 Ca 0.05 1.33 -0.23 0.00 0.05 0.00 0.00 55.36 56.56 1tru s GLN 4 Cb -0.14 -3.56 0.04 0.00 1.10 0.00 0.00 33.01 30.46 1tru s GLN 4 CO -0.14 -0.34 0.82 0.42 -0.55 0.00 0.00 175.29 175.50 1tru s ILE 5 N 2.13 4.58 -0.78 -2.34 -1.09 -1.19 -4.87 121.20 117.64 1tru s ILE 5 Ca 0.46 0.23 0.24 0.00 -2.23 0.00 0.00 60.65 59.36 1tru s ILE 5 Cb -0.18 -4.40 -0.02 0.00 -1.58 0.00 0.00 42.46 36.28 1tru s ILE 5 CO 0.16 -0.89 1.26 -0.62 -1.23 0.00 0.00 174.94 173.63 1tru n GLU 6 N 6.93 0.17 -3.45 2.79 -0.58 -1.26 -4.57 120.64 120.66 1tru n GLU 6 Ca 0.01 0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1tru n GLU 6 Cb 0.47 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1tru s SER 7 N -3.63 -0.54 0.58 1.62 1.04 -1.26 -4.49 113.70 107.01 1tru s SER 7 Ca 0.07 -0.04 0.28 0.00 0.48 0.00 0.00 55.95 56.74 1tru s SER 7 Cb 0.15 0.60 1.51 0.00 0.10 0.00 0.00 66.02 68.38 1tru s SER 7 CO 0.74 -0.98 1.96 0.50 0.98 0.00 0.00 173.24 176.44 1tru h LYS 8 N 2.02 0.00 0.57 4.02 3.64 -1.92 -1.52 116.57 123.38 1tru h LYS 8 Ca -0.33 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1tru h LYS 8 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1tru h LYS 8 CO 0.38 0.00 -0.28 1.15 -2.27 0.00 0.00 179.45 178.43 1tru h THR 9 N 0.00 0.43 0.00 1.00 2.02 -2.00 -1.94 112.91 112.41 1tru h THR 9 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1tru h THR 9 Cb 1.02 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1tru h THR 9 CO -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.35 1.20 0.91 6.16 0.00 -1.70 -2.74 119.26 122.75 1tru h ALA 10 Ca -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1tru h ALA 10 Cb 0.60 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1tru h ALA 10 CO 0.13 0.07 -0.44 0.35 0.00 0.00 0.00 179.25 179.35 1tru h PHE 11 N 0.00 -1.14 -0.42 0.00 3.57 -0.96 0.11 116.94 118.11 1tru h PHE 11 Ca -0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1tru h PHE 11 Cb 0.23 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1tru h PHE 11 CO 0.00 -0.71 0.18 1.96 -2.23 0.00 0.00 178.31 177.51 1tru h GLN 12 N -1.29 0.61 -0.46 1.11 4.20 -1.44 -2.32 115.11 115.53 1tru h GLN 12 Ca -0.13 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.51 1tru h GLN 12 Cb 0.94 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1tru h GLN 12 CO 0.21 0.56 0.30 0.93 -0.67 0.00 0.00 178.83 180.16 1tru h GLU 13 N 0.53 0.51 -0.32 1.46 5.08 -1.47 -0.79 114.58 119.58 1tru h GLU 13 Ca 0.14 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1tru h GLU 13 Cb 0.16 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1tru h GLU 13 CO -0.01 0.34 -0.37 0.00 -1.00 0.00 0.00 179.01 177.97 1tru h ALA 14 N 1.73 0.47 -0.31 3.43 0.00 -0.27 -0.20 119.26 124.13 1tru h ALA 14 Ca 0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1tru h ALA 14 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tru h ALA 14 CO -0.04 0.56 -0.22 -0.07 0.00 0.00 0.00 179.25 179.47 1tru h LEU 15 N 0.59 0.73 -0.46 0.00 3.38 -0.87 -0.72 115.31 117.96 1tru h LEU 15 Ca 0.04 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 1tru h LEU 15 Cb 0.95 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1tru h LEU 15 CO 0.09 1.02 -0.17 -0.78 0.09 0.00 0.00 178.44 178.69 1tru h ASP 16 N 0.45 0.94 0.92 -0.43 3.58 -1.17 -2.54 116.42 118.17 1tru h ASP 16 Ca 0.06 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.11 1tru h ASP 16 Cb 0.78 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1tru h ASP 16 CO 0.06 1.11 -0.09 0.00 -2.88 0.00 0.00 179.24 177.44 1tru h ALA 17 N 0.86 1.03 -0.35 -0.78 0.00 -0.97 -2.77 119.26 116.29 1tru h ALA 17 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1tru h ALA 17 Cb 0.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 17 CO 0.06 0.12 0.09 0.00 0.00 0.00 0.00 179.25 179.52 1tru h ALA 18 N 1.91 1.52 0.00 0.00 0.00 -0.67 -3.48 119.26 118.54 1tru h ALA 18 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tru h ALA 18 CO 0.01 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1tru n GLY 19 N -1.12 1.16 0.49 0.00 0.00 -1.05 -3.36 105.19 101.31 1tru n GLY 19 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 7.40 2.64 -4.83 1.61 2.03 -1.26 -3.73 116.55 120.41 1tru n ASP 20 Ca 0.00 -1.94 -0.31 0.00 0.52 0.00 0.00 54.79 53.06 1tru n ASP 20 Cb 0.00 -0.17 0.04 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.98 3.11 0.79 -0.67 1.02 -1.21 -4.84 119.74 116.96 1tru s LYS 21 Ca 0.17 0.90 -0.13 0.00 0.02 0.00 0.00 55.97 56.94 1tru s LYS 21 Cb 0.09 -2.01 0.07 0.00 -0.52 0.00 0.00 37.83 35.46 1tru s LYS 21 CO 0.12 -0.96 1.17 -1.17 -0.92 0.00 0.00 175.35 173.59 1tru s LEU 22 N -5.44 3.13 -0.31 3.17 0.20 -1.26 -4.63 118.68 113.54 1tru s LEU 22 Ca 0.57 2.21 0.01 0.00 0.69 0.00 0.00 54.13 57.61 1tru s LEU 22 Cb -0.13 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1tru s LEU 22 CO 0.55 -2.46 0.32 -0.69 -0.29 0.00 0.00 176.35 173.77 1tru s VAL 23 N -2.35 -0.40 -0.28 1.68 1.01 -0.90 -3.37 120.40 115.79 1tru s VAL 23 Ca 0.70 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1tru s VAL 23 Cb -0.25 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1tru s VAL 23 CO 0.51 -0.49 0.26 -0.69 0.00 0.00 0.00 175.10 174.69 1tru s VAL 24 N 2.14 5.26 -0.10 2.92 1.01 -1.06 -0.12 120.40 130.45 1tru s VAL 24 Ca 0.11 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 1tru s VAL 24 Cb -0.14 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1tru s VAL 24 CO -0.26 0.19 0.30 -0.69 0.00 0.00 0.00 175.10 174.64 1tru s VAL 25 N 1.88 5.26 -0.29 2.92 1.01 0.69 -2.54 120.40 129.32 1tru s VAL 25 Ca 0.10 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1tru s VAL 25 Cb -0.16 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1tru s VAL 25 CO 0.11 0.51 0.06 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.42 5.02 -0.54 3.32 2.15 -0.67 -1.02 116.67 124.51 1tru s ASP 26 Ca 0.19 -0.79 -0.16 0.00 0.43 0.00 0.00 52.55 52.22 1tru s ASP 26 Cb -0.14 -1.84 0.12 0.00 -0.30 0.00 0.00 42.92 40.75 1tru s ASP 26 CO 0.07 -0.20 0.51 -0.36 -0.17 0.00 0.00 175.17 175.03 1tru s PHE 27 N 1.46 3.22 0.20 -5.34 0.08 0.48 -2.78 117.98 115.31 1tru s PHE 27 Ca 0.02 -1.20 -0.03 0.00 0.12 0.00 0.00 56.93 55.83 1tru s PHE 27 Cb -0.17 -3.74 -0.03 0.00 -0.57 0.00 0.00 43.02 38.50 1tru s PHE 27 CO 0.01 -1.02 0.20 -1.54 -0.10 0.00 0.00 175.22 172.77 1tru s SER 28 N 3.47 0.11 -0.53 1.36 1.04 -1.22 -1.76 113.70 116.16 1tru s SER 28 Ca 0.04 -1.28 -0.17 0.00 0.48 0.00 0.00 55.95 55.02 1tru s SER 28 Cb -0.29 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.35 1tru s SER 28 CO 0.04 -0.89 0.56 0.00 0.98 0.00 0.00 173.24 173.93 1tru s ALA 29 N -4.12 3.51 0.55 5.32 0.00 -1.26 -3.14 121.76 122.61 1tru s ALA 29 Ca 0.34 -2.19 0.25 0.00 0.00 0.00 0.00 51.96 50.36 1tru s ALA 29 Cb 0.05 -3.32 1.44 0.00 0.00 0.00 0.00 23.12 21.29 1tru s ALA 29 CO 0.11 -2.05 2.04 0.00 0.00 0.00 0.00 175.76 175.85 1tru h THR 30 N 5.86 0.70 -0.00 0.00 1.03 -1.95 0.14 112.91 118.69 1tru h THR 30 Ca -0.29 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.92 1tru h THR 30 Cb 1.10 0.80 -0.01 0.00 -1.07 0.00 0.00 68.15 68.96 1tru h THR 30 CO 1.01 0.00 -0.85 4.11 -0.01 0.00 0.00 175.52 179.78 1tru h TRP 31 N 0.00 0.27 -3.65 0.00 5.08 -2.02 -3.45 115.95 112.18 1tru h TRP 31 Ca 0.17 -0.15 -0.47 0.00 1.08 0.00 0.00 58.89 59.53 1tru h TRP 31 Cb 0.74 -0.03 0.20 0.00 -3.00 0.00 0.00 29.16 27.07 1tru h TRP 31 CO 0.00 0.95 0.09 0.00 -1.28 0.00 0.00 178.44 178.20 1tru n GLY 33 N 0.52 -0.37 0.35 0.00 0.00 -1.26 -3.93 105.19 100.50 1tru n GLY 33 Ca 0.06 -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 0.00 1.61 0.11 -1.96 0.01 132.00 131.76 1tru h PRO 34 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 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 -0.13 0.00 -0.21 0.00 0.00 178.00 177.66 1tru n LYS 36 N -4.59 0.11 0.12 0.00 4.81 -0.30 -1.99 118.16 116.31 1tru n LYS 36 Ca -0.12 0.43 0.11 0.00 -0.87 0.00 0.00 58.31 57.86 1tru n LYS 36 Cb 0.49 -1.74 0.47 0.00 0.02 0.00 0.00 35.03 34.27 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 -1.96 0.16 -0.95 1.64 1.56 -0.17 -2.37 117.12 115.04 1tru n MET 37 Ca 0.02 0.43 -0.09 0.00 -0.27 0.00 0.00 57.70 57.78 1tru n MET 37 Cb 0.15 -1.83 0.24 0.00 2.15 0.00 0.00 33.22 33.93 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 -2.15 2.72 0.06 1.12 5.41 -0.84 -4.36 119.36 121.31 1tru n ILE 38 Ca 0.02 -1.48 0.03 0.00 1.00 0.00 0.00 62.75 62.31 1tru n ILE 38 Cb 0.20 -0.44 -0.05 0.00 -0.71 0.00 0.00 39.64 38.64 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 2.00 0.00 0.00 0.38 2.10 -1.69 -3.30 116.57 116.06 1tru h LYS 39 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1tru h LYS 39 Cb 2.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.61 1tru h LYS 39 CO 0.74 0.24 0.00 -0.35 -2.00 0.00 0.00 179.45 178.08 1tru n PRO 40 N -2.87 0.49 0.00 0.07 -0.05 -1.26 -2.32 135.00 129.05 1tru n PRO 40 Ca -0.07 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.77 -1.22 -0.00 0.00 -0.05 0.00 0.00 33.50 33.00 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1tru n PHE 41 N -0.72 0.00 0.47 0.54 3.72 -1.25 -4.35 117.46 115.87 1tru n PHE 41 Ca 0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.27 1tru n PHE 41 Cb 0.02 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.47 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 -1.10 0.00 1.38 3.57 -1.64 -2.15 116.94 116.98 1tru h PHE 42 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 42 Cb 0.02 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1tru h PHE 42 CO -0.01 -0.68 0.00 1.58 -2.23 0.00 0.00 178.31 176.97 1tru n HIS 43 N -5.22 0.00 0.07 0.41 -0.00 -0.98 -2.46 115.22 107.04 1tru n HIS 43 Ca -0.15 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.90 1tru n HIS 43 Cb 0.47 -0.31 -0.14 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.27 0.00 0.26 0.87 -1.30 -3.22 113.55 110.43 1tru h SER 44 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1tru h SER 44 Cb 0.12 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1tru h SER 44 CO 0.00 1.27 0.01 0.18 -0.53 0.00 0.00 176.83 177.76 1tru n LEU 45 N -3.41 0.14 -0.20 2.23 4.77 -1.03 -1.75 117.00 117.75 1tru n LEU 45 Ca -0.10 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1tru n LEU 45 Cb 1.01 -0.58 0.32 0.00 -2.33 0.00 0.00 43.42 41.84 1tru n LEU 45 CO 0.50 -0.61 1.22 0.28 -1.33 0.00 0.00 177.39 177.46 1tru h SER 46 N 0.00 0.74 0.90 -1.43 0.02 -1.74 0.33 113.55 112.37 1tru h SER 46 Ca 0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1tru h SER 46 Cb 0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1tru h SER 46 CO 0.00 0.49 -1.15 -0.33 -1.14 0.00 0.00 176.83 174.70 1tru h GLU 47 N 0.84 0.00 0.00 3.45 5.08 -1.60 -3.38 114.58 118.97 1tru h GLU 47 Ca 0.31 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 1tru h GLU 47 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1tru h GLU 47 CO -0.10 0.12 -0.55 -0.22 -1.00 0.00 0.00 179.01 177.26 1tru h LYS 48 N 0.00 0.00 -3.78 2.33 3.64 -1.40 -3.42 116.57 113.94 1tru h LYS 48 Ca -0.07 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.60 1tru h LYS 48 Cb 1.24 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.74 1tru h LYS 48 CO 0.02 0.85 -0.30 0.71 -2.27 0.00 0.00 179.45 178.46 1tru s TYR 49 N -2.23 3.49 -1.39 1.91 2.02 0.11 -4.90 117.35 116.36 1tru s TYR 49 Ca -0.21 -2.47 0.17 0.00 -0.37 0.00 0.00 57.07 54.19 1tru s TYR 49 Cb 0.01 -3.35 0.87 0.00 -0.40 0.00 0.00 41.96 39.09 1tru s TYR 49 CO 0.56 -0.90 1.52 -1.13 -1.57 0.00 0.00 175.55 174.04 1tru n SER 50 N 3.81 0.00 -2.14 2.29 3.41 -1.26 -2.78 113.62 116.95 1tru n SER 50 Ca 0.06 0.08 -0.19 0.00 -0.26 0.00 0.00 58.87 58.56 1tru n SER 50 Cb 0.40 -0.30 0.22 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.30 4.01 -4.05 4.04 5.15 -1.26 -4.59 115.26 117.26 1tru n ASN 51 Ca 0.08 -3.51 -0.22 0.00 -0.60 0.00 0.00 54.58 50.33 1tru n ASN 51 Cb 0.14 -0.81 -0.15 0.00 -0.53 0.00 0.00 39.78 38.43 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 -3.22 0.97 -0.33 3.44 1.01 -1.12 -4.70 120.40 116.45 1tru s VAL 52 Ca 0.56 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1tru s VAL 52 Cb 0.47 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1tru s VAL 52 CO 0.11 0.29 0.25 -0.63 0.00 0.00 0.00 175.10 175.12 1tru s ILE 53 N 0.06 5.28 -0.19 2.22 -1.09 -1.22 -3.98 121.20 122.28 1tru s ILE 53 Ca -0.02 -0.11 -0.05 0.00 -2.23 0.00 0.00 60.65 58.25 1tru s ILE 53 Cb -0.08 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1tru s ILE 53 CO 0.01 0.03 0.00 -0.36 -1.23 0.00 0.00 174.94 173.39 1tru s PHE 54 N 1.77 3.06 -0.13 3.97 0.08 -1.20 -2.57 117.98 122.96 1tru s PHE 54 Ca 0.07 -0.35 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 1tru s PHE 54 Cb -0.17 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1tru s PHE 54 CO 0.11 -0.15 0.00 -0.51 -0.10 0.00 0.00 175.22 174.57 1tru s LEU 55 N 0.81 3.54 -0.35 -0.37 1.02 -1.05 -2.79 118.68 119.49 1tru s LEU 55 Ca 0.01 0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 1tru s LEU 55 Cb -0.14 -1.84 0.07 0.00 0.02 0.00 0.00 46.19 44.30 1tru s LEU 55 CO 0.02 0.27 0.09 -0.70 0.02 0.00 0.00 176.35 176.05 1tru s GLU 56 N -0.22 2.31 -0.17 1.70 2.12 -1.15 -1.67 118.70 121.61 1tru s GLU 56 Ca 0.06 -1.45 -0.06 0.00 0.36 0.00 0.00 54.97 53.87 1tru s GLU 56 Cb -0.12 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1tru s GLU 56 CO 0.02 -0.79 0.03 0.08 -0.54 0.00 0.00 175.26 174.06 1tru s VAL 57 N 1.24 4.51 -0.32 3.70 1.01 -1.12 -3.14 120.40 126.28 1tru s VAL 57 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 1tru s VAL 57 Cb -0.21 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1tru s VAL 57 CO -0.01 0.48 0.40 -0.62 0.00 0.00 0.00 175.10 175.34 1tru s ASP 58 N 0.30 6.23 0.00 3.32 2.15 -1.26 -3.45 116.67 123.97 1tru s ASP 58 Ca 0.01 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.97 1tru s ASP 58 Cb -0.13 -2.22 0.09 0.00 -0.30 0.00 0.00 42.92 40.37 1tru s ASP 58 CO 0.01 -0.33 0.35 1.33 -0.17 0.00 0.00 175.17 176.37 1tru n VAL 59 N 5.25 0.00 -0.04 1.11 0.24 -1.19 -0.85 118.33 122.85 1tru n VAL 59 Ca -0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.50 -0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 32.30 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 -0.63 2.93 0.03 -1.34 9.92 -1.26 -4.41 116.55 121.79 1tru n ASP 60 Ca 0.01 -0.02 -0.22 0.00 -0.53 0.00 0.00 54.79 54.03 1tru n ASP 60 Cb 0.01 -0.15 -0.14 0.00 -0.64 0.00 0.00 41.12 40.20 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 -0.05 0.49 -1.93 -2.24 3.58 -1.86 -3.37 116.42 111.05 1tru h ASP 61 Ca -0.19 -0.92 -0.74 0.00 0.42 0.00 0.00 57.03 55.61 1tru h ASP 61 Cb 1.26 -0.16 -0.29 0.00 1.72 0.00 0.00 39.33 41.86 1tru h ASP 61 CO -0.04 1.78 0.79 0.00 -2.88 0.00 0.00 179.24 178.88 1tru n ALA 62 N -2.95 6.30 0.14 -0.78 0.00 -0.03 -4.71 120.51 118.47 1tru n ALA 62 Ca -0.28 -4.15 0.08 0.00 0.00 0.00 0.00 53.44 49.09 1tru n ALA 62 Cb 1.02 -1.77 0.44 0.00 0.00 0.00 0.00 19.45 19.14 1tru n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tru n GLN 63 N -0.53 0.11 -0.04 0.00 6.02 -1.26 -1.15 117.38 120.53 1tru n GLN 63 Ca 0.52 0.59 -0.16 0.00 -0.01 0.00 0.00 57.00 57.94 1tru n GLN 63 Cb 0.30 -1.92 -0.08 0.00 1.02 0.00 0.00 30.24 29.56 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1tru h ASP 64 N 0.00 0.69 0.41 1.08 2.03 -1.93 -1.89 116.42 116.80 1tru h ASP 64 Ca 0.00 -0.62 -0.18 0.00 -0.73 0.00 0.00 57.03 55.50 1tru h ASP 64 Cb 0.14 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.43 1tru h ASP 64 CO 0.00 1.19 -0.78 0.58 -1.03 0.00 0.00 179.24 179.20 1tru h VAL 65 N 0.23 1.43 0.00 4.15 2.07 -1.50 -2.97 116.25 119.64 1tru h VAL 65 Ca -0.03 -2.31 -0.07 0.00 0.82 0.00 0.00 66.70 65.11 1tru h VAL 65 Cb 1.14 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1tru h VAL 65 CO 0.11 0.68 -0.34 0.00 0.02 0.00 0.00 177.57 178.04 1tru h ALA 66 N 0.99 1.39 0.34 1.67 0.00 -1.43 -0.21 119.26 122.00 1tru h ALA 66 Ca -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1tru h ALA 66 Cb 1.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1tru h ALA 66 CO 0.13 0.43 -0.16 0.66 0.00 0.00 0.00 179.25 180.30 1tru h SER 67 N 0.00 -0.38 -0.10 0.00 4.64 -1.19 -1.68 113.55 114.83 1tru h SER 67 Ca -0.00 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 1tru h SER 67 Cb 0.62 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1tru h SER 67 CO 0.04 0.06 -0.01 -0.08 -0.87 0.00 0.00 176.83 175.97 1tru h GLU 68 N -0.95 0.30 0.00 4.77 4.81 -1.49 -0.43 114.58 121.59 1tru h GLU 68 Ca -0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1tru h GLU 68 Cb 0.52 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1tru h GLU 68 CO 0.08 0.34 0.00 0.00 -0.73 0.00 0.00 179.01 178.69 1tru n ALA 69 N -2.49 1.93 -3.62 2.92 0.00 -0.10 -4.90 120.51 114.25 1tru n ALA 69 Ca -0.00 0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1tru n ALA 69 Cb 0.20 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.28 1tru n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tru n GLU 70 N -2.17 -5.58 -2.76 0.00 2.13 -0.17 -4.89 120.64 107.19 1tru n GLU 70 Ca 0.04 0.70 -0.43 0.00 0.66 0.00 0.00 57.16 58.13 1tru n GLU 70 Cb 0.31 -5.43 -0.04 0.00 0.27 0.00 0.00 31.44 26.55 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1tru s VAL 71 N -3.55 4.25 -0.56 6.31 1.01 -1.06 -4.81 120.40 121.99 1tru s VAL 71 Ca 0.04 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.42 1tru s VAL 71 Cb -0.02 -4.63 0.16 0.00 0.00 0.00 0.00 36.38 31.90 1tru s VAL 71 CO 0.78 -1.26 1.10 0.29 0.00 0.00 0.00 175.10 176.01 1tru n LYS 72 N 7.85 2.60 -3.31 2.72 4.76 -1.26 -4.87 118.16 126.66 1tru n LYS 72 Ca 0.03 -1.72 -0.11 0.00 -2.87 0.00 0.00 58.31 53.64 1tru n LYS 72 Cb 0.48 -1.15 -0.06 0.00 -1.84 0.00 0.00 35.03 32.46 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tru s ALA 73 N -0.95 -1.09 0.22 7.82 0.00 -1.26 -5.15 121.76 121.36 1tru s ALA 73 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 1tru s ALA 73 Cb 0.07 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1tru s ALA 73 CO 0.09 -2.02 0.44 0.95 0.00 0.00 0.00 175.76 175.22 1tru s THR 74 N 1.90 5.15 0.48 0.00 -4.23 -1.26 -4.05 115.64 113.62 1tru s THR 74 Ca 0.14 -0.21 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 1tru s THR 74 Cb -0.12 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.13 -0.21 1.00 -2.16 -0.54 0.00 0.00 174.62 172.59 1tru s PRO 75 N -3.35 3.92 -0.03 3.99 0.04 -1.26 -4.99 135.00 133.32 1tru s PRO 75 Ca 0.40 1.23 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 1tru s PRO 75 Cb -0.11 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1tru s PRO 75 CO 0.29 -0.31 0.02 0.99 0.04 0.00 0.00 177.00 178.03 1tru s THR 76 N -2.14 0.07 -0.15 1.26 2.01 -0.73 -3.25 115.64 112.71 1tru s THR 76 Ca 0.64 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.80 1tru s THR 76 Cb -0.13 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1tru s THR 76 CO 0.20 0.14 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.88 1tru s PHE 77 N 1.31 3.03 0.07 4.92 0.40 -1.15 -0.39 117.98 126.18 1tru s PHE 77 Ca -0.06 -0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1tru s PHE 77 Cb -0.13 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1tru s PHE 77 CO -0.03 -0.00 -0.24 -0.65 0.70 0.00 0.00 175.22 175.00 1tru s GLN 78 N 0.28 1.79 -0.35 0.44 -0.21 -0.19 -2.15 119.66 119.27 1tru s GLN 78 Ca -0.03 -1.13 -0.07 0.00 0.02 0.00 0.00 55.36 54.14 1tru s GLN 78 Cb -0.14 -2.03 0.04 0.00 1.00 0.00 0.00 33.01 31.89 1tru s GLN 78 CO 0.03 0.50 0.14 -0.06 -2.12 0.00 0.00 175.29 173.78 1tru s PHE 79 N -0.91 3.26 0.17 0.91 0.40 0.10 -0.22 117.98 121.69 1tru s PHE 79 Ca 0.13 -1.37 0.07 0.00 -0.60 0.00 0.00 56.93 55.16 1tru s PHE 79 Cb -0.10 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1tru s PHE 79 CO 0.04 -0.73 0.02 -0.06 0.70 0.00 0.00 175.22 175.19 1tru s PHE 80 N 1.43 2.90 -0.21 0.36 0.08 0.83 -0.77 117.98 122.60 1tru s PHE 80 Ca -0.01 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.79 1tru s PHE 80 Cb -0.20 -1.41 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1tru s PHE 80 CO 0.03 0.51 0.52 0.21 -0.10 0.00 0.00 175.22 176.40 1tru s LYS 81 N -2.91 0.55 0.00 0.44 2.20 -0.63 -2.12 119.74 117.27 1tru s LYS 81 Ca 0.28 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1tru s LYS 81 Cb -0.10 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1tru s LYS 81 CO 0.19 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.69 1tru n LYS 82 N 3.72 -1.85 -0.51 4.03 5.02 -1.24 0.65 118.16 127.98 1tru n LYS 82 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1tru n LYS 82 Cb 0.57 -4.01 0.00 0.00 -0.02 0.00 0.00 35.03 31.57 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 0.51 1.36 2.89 0.72 0.00 -1.26 -4.96 105.19 104.46 1tru n GLY 83 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.55 1.07 -0.38 1.61 -0.21 0.21 -5.09 119.66 115.32 1tru s GLN 84 Ca 0.00 -0.14 -0.28 0.00 0.02 0.00 0.00 55.36 54.96 1tru s GLN 84 Cb 0.00 -1.12 -0.02 0.00 1.00 0.00 0.00 33.01 32.87 1tru s GLN 84 CO 0.00 -0.15 1.88 0.21 -2.12 0.00 0.00 175.29 175.11 1tru s LYS 85 N 1.27 3.11 -0.36 2.91 2.20 -1.26 -1.60 119.74 126.00 1tru s LYS 85 Ca -0.05 1.32 0.06 0.00 -0.36 0.00 0.00 55.97 56.94 1tru s LYS 85 Cb -0.14 -4.27 0.49 0.00 -1.51 0.00 0.00 37.83 32.40 1tru s LYS 85 CO -0.02 -2.12 1.49 1.33 -0.36 0.00 0.00 175.35 175.66 1tru n VAL 86 N 7.44 2.75 0.00 4.02 0.24 0.05 -4.99 118.33 127.84 1tru n VAL 86 Ca 0.24 -3.23 0.00 0.00 -2.04 0.00 0.00 64.34 59.31 1tru n VAL 86 Cb 0.48 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 -0.97 4.02 3.59 7.63 0.00 -1.22 -4.93 105.19 113.32 1tru n GLY 87 Ca 0.42 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 1tru n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tru s GLU 88 N -2.63 0.46 -0.28 1.61 -1.05 -1.26 0.01 118.70 115.55 1tru s GLU 88 Ca 0.00 0.09 -0.19 0.00 -0.15 0.00 0.00 54.97 54.72 1tru s GLU 88 Cb 0.00 0.22 0.12 0.00 -0.44 0.00 0.00 34.13 34.03 1tru s GLU 88 CO 0.00 -0.15 0.93 -0.59 0.95 0.00 0.00 175.26 176.40 1tru s PHE 89 N -1.21 -0.63 -0.09 4.83 -0.12 -0.91 -5.00 117.98 114.84 1tru s PHE 89 Ca 0.01 1.35 -0.02 0.00 -0.05 0.00 0.00 56.93 58.22 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 -0.01 -0.31 0.00 -1.54 -0.05 0.00 0.00 175.22 173.31 1tru s SER 90 N 1.00 5.24 0.00 1.98 1.04 -1.26 -2.92 113.70 118.78 1tru s SER 90 Ca -0.05 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1tru s SER 90 Cb -0.04 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.57 1tru s SER 90 CO -0.12 0.36 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1tru n GLY 91 N 2.26 4.08 2.07 7.32 0.00 -1.20 -4.95 105.19 114.77 1tru n GLY 91 Ca -0.18 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.49 6.64 -3.40 4.61 0.00 -1.26 -4.71 120.51 120.89 1tru n ALA 92 Ca 0.00 -2.21 -0.41 0.00 0.00 0.00 0.00 53.44 50.82 1tru n ALA 92 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 19.45 16.89 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 2.70 5.15 0.22 0.00 4.05 -1.26 -4.85 115.26 121.27 1tru n ASN 93 Ca 0.51 -3.12 0.09 0.00 0.45 0.00 0.00 54.58 52.50 1tru n ASN 93 Cb 0.77 -1.24 0.63 0.00 1.23 0.00 0.00 39.78 41.16 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 6.22 0.05 0.00 1.20 -0.00 -1.98 0.31 116.57 122.37 1tru h LYS 94 Ca 0.18 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.77 1tru h LYS 94 Cb 0.82 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.03 1tru h LYS 94 CO 1.00 0.03 -0.25 0.93 -0.00 0.00 0.00 179.45 181.16 1tru h GLU 95 N 0.05 0.00 -0.43 0.07 5.08 -1.99 -2.78 114.58 114.57 1tru h GLU 95 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1tru h GLU 95 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1tru h GLU 95 CO -0.00 0.25 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.83 1tru h LYS 96 N 0.00 0.86 -0.97 2.33 3.64 -1.33 -2.81 116.57 118.28 1tru h LYS 96 Ca -0.00 -0.35 0.22 0.00 -1.27 0.00 0.00 60.65 59.25 1tru h LYS 96 Cb 0.61 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.31 1tru h LYS 96 CO 0.03 0.98 0.62 -0.07 -2.27 0.00 0.00 179.45 178.75 1tru h LEU 97 N 0.75 0.53 0.42 5.20 3.38 -1.48 0.21 115.31 124.32 1tru h LEU 97 Ca 0.10 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1tru h LEU 97 Cb 0.74 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1tru h LEU 97 CO 0.06 0.18 -0.20 -0.08 0.09 0.00 0.00 178.44 178.49 1tru h GLU 98 N 0.51 -0.54 -0.81 1.13 4.81 -1.61 0.19 114.58 118.26 1tru h GLU 98 Ca 0.54 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.93 1tru h GLU 98 Cb 1.18 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 1tru h GLU 98 CO -0.27 -0.36 0.53 0.00 -0.73 0.00 0.00 179.01 178.18 1tru h ALA 99 N -1.55 1.90 0.03 2.92 0.00 -1.48 -0.63 119.26 120.46 1tru h ALA 99 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tru h ALA 99 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1tru h ALA 99 CO 0.09 -0.11 -0.02 1.15 0.00 0.00 0.00 179.25 180.37 1tru h THR 100 N 0.61 1.34 -0.99 0.00 2.02 -0.56 -2.71 112.91 112.63 1tru h THR 100 Ca 0.40 -1.26 0.07 0.00 0.77 0.00 0.00 66.41 66.38 1tru h THR 100 Cb 0.67 2.17 -0.07 0.00 -1.74 0.00 0.00 68.15 69.19 1tru h THR 100 CO -0.16 0.32 0.63 0.40 0.37 0.00 0.00 175.52 177.08 1tru h ILE 101 N -0.61 1.07 0.00 3.11 2.04 -0.07 0.50 117.51 123.55 1tru h ILE 101 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1tru h ILE 101 Cb 0.55 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1tru h ILE 101 CO 0.01 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 175.17 1tru n ASN 102 N -4.52 0.00 -0.06 1.72 5.15 -0.29 -2.19 115.26 115.07 1tru n ASN 102 Ca 0.15 -0.48 -0.05 0.00 -0.60 0.00 0.00 54.58 53.60 1tru n ASN 102 Cb 0.19 -0.08 -0.04 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.34 -3.35 114.58 116.72 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 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1tru h GLU 103 CO 0.00 0.30 0.00 1.28 -1.18 0.00 0.00 179.01 179.41 1tru n LEU 104 N -4.70 5.31 0.00 1.64 4.77 -1.19 -5.12 117.00 117.70 1tru n LEU 104 Ca -0.05 -2.69 0.06 0.00 -0.03 0.00 0.00 56.01 53.30 1tru n LEU 104 Cb 0.18 -0.67 0.35 0.00 -2.33 0.00 0.00 43.42 40.95 1tru n LEU 104 CO 0.11 0.60 0.56 0.55 -1.33 0.00 0.00 177.39 177.88