#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 0.16 -0.19 1.12 1.01 -1.26 -3.22 120.40 118.02 1tru s VAL 2 Ca 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 60.52 1tru s VAL 2 Cb 0.00 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 35.03 1tru s VAL 2 CO 0.00 -0.73 0.40 -0.75 0.00 0.00 0.00 175.10 174.02 1tru s LYS 3 N -3.89 0.30 -0.17 2.72 2.20 -1.11 -5.00 119.74 114.79 1tru s LYS 3 Ca 0.07 1.00 -0.28 0.00 -0.36 0.00 0.00 55.97 56.39 1tru s LYS 3 Cb 0.06 0.29 -0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1tru s LYS 3 CO -0.10 -0.26 0.98 -1.14 -0.36 0.00 0.00 175.35 174.47 1tru s GLN 4 N 2.59 4.33 -0.50 4.03 0.74 -1.26 -2.65 119.66 126.93 1tru s GLN 4 Ca -0.01 1.30 -0.23 0.00 0.05 0.00 0.00 55.36 56.47 1tru s GLN 4 Cb -0.12 -3.59 0.04 0.00 1.10 0.00 0.00 33.01 30.44 1tru s GLN 4 CO -0.12 -0.45 0.82 0.42 -0.55 0.00 0.00 175.29 175.40 1tru s ILE 5 N 2.54 4.59 -0.54 -2.34 -1.09 -1.10 -4.87 121.20 118.38 1tru s ILE 5 Ca 0.44 0.21 0.24 0.00 -2.23 0.00 0.00 60.65 59.31 1tru s ILE 5 Cb -0.17 -4.40 0.03 0.00 -1.58 0.00 0.00 42.46 36.34 1tru s ILE 5 CO 0.12 -0.89 1.24 -0.33 -1.23 0.00 0.00 174.94 173.85 1tru h GLU 6 N 9.11 0.00 -2.96 2.79 4.39 -1.94 -3.40 114.58 122.57 1tru h GLU 6 Ca -0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1tru h GLU 6 Cb 1.08 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.62 1tru h GLU 6 CO 1.01 0.00 0.23 -1.54 -1.16 0.00 0.00 179.01 177.55 1tru s SER 7 N -4.49 -0.52 0.61 1.42 1.04 -1.26 -4.23 113.70 106.26 1tru s SER 7 Ca 0.04 -0.08 0.29 0.00 0.48 0.00 0.00 55.95 56.68 1tru s SER 7 Cb 0.12 0.61 1.55 0.00 0.10 0.00 0.00 66.02 68.40 1tru s SER 7 CO 0.74 -1.00 1.94 0.50 0.98 0.00 0.00 173.24 176.40 1tru h LYS 8 N 2.00 0.00 0.62 4.02 3.64 -1.92 -1.61 116.57 123.32 1tru h LYS 8 Ca -0.32 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 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 0.36 0.00 -0.33 1.15 -2.27 0.00 0.00 179.45 178.35 1tru h THR 9 N 0.00 0.32 0.00 1.00 2.02 -2.00 -1.92 112.91 112.33 1tru h THR 9 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1tru h THR 9 Cb 0.92 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1tru h THR 9 CO -0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.82 1tru h ALA 10 N -0.53 1.32 0.61 6.16 0.00 -1.71 -2.70 119.26 122.42 1tru h ALA 10 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1tru h ALA 10 Cb 0.69 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1tru h ALA 10 CO 0.11 0.08 -0.29 0.35 0.00 0.00 0.00 179.25 179.50 1tru h PHE 11 N 0.00 -0.76 0.13 0.00 3.57 -1.09 0.60 116.94 119.39 1tru h PHE 11 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 11 Cb 0.20 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1tru h PHE 11 CO 0.00 -0.46 -0.06 1.96 -2.23 0.00 0.00 178.31 177.52 1tru h GLN 12 N -0.85 -0.16 -0.46 1.11 1.08 -1.31 -1.59 115.11 112.92 1tru h GLN 12 Ca -0.08 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1tru h GLN 12 Cb 0.64 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1tru h GLN 12 CO 0.14 0.06 0.31 0.93 -0.95 0.00 0.00 178.83 179.32 1tru h GLU 13 N -0.37 0.49 -0.18 1.46 5.08 -1.47 -1.23 114.58 118.36 1tru h GLU 13 Ca -0.02 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1tru h GLU 13 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1tru h GLU 13 CO 0.03 0.33 -0.46 0.00 -1.00 0.00 0.00 179.01 177.90 1tru h ALA 14 N 1.73 0.86 -0.19 3.43 0.00 0.52 -1.47 119.26 124.15 1tru h ALA 14 Ca 0.18 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1tru h ALA 14 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1tru h ALA 14 CO -0.05 0.65 -0.18 -0.07 0.00 0.00 0.00 179.25 179.61 1tru h LEU 15 N 0.37 0.48 -1.24 0.00 3.38 -0.25 -2.39 115.31 115.66 1tru h LEU 15 Ca 0.02 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1tru h LEU 15 Cb 0.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1tru h LEU 15 CO 0.08 0.85 -0.38 -0.78 0.09 0.00 0.00 178.44 178.31 1tru h ASP 16 N 0.11 0.00 0.39 -0.43 3.58 -1.33 -2.45 116.42 116.28 1tru h ASP 16 Ca 0.03 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.37 1tru h ASP 16 Cb 0.71 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1tru h ASP 16 CO 0.04 0.38 -0.48 0.00 -2.88 0.00 0.00 179.24 176.30 1tru h ALA 17 N 1.62 1.11 -0.63 -0.78 0.00 -1.12 -2.87 119.26 116.58 1tru h ALA 17 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tru h ALA 17 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1tru h ALA 17 CO 0.05 0.63 0.26 0.00 0.00 0.00 0.00 179.25 180.19 1tru h ALA 18 N 1.42 1.27 0.00 0.00 0.00 -0.93 -3.48 119.26 117.54 1tru h ALA 18 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 18 Cb 0.89 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1tru h ALA 18 CO 0.07 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1tru n GLY 19 N -1.03 1.97 0.48 0.00 0.00 -1.09 -3.24 105.19 102.28 1tru n GLY 19 Ca 0.06 -0.51 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 8.07 2.58 -4.83 1.61 2.03 -1.26 -3.66 116.55 121.09 1tru n ASP 20 Ca 0.00 -1.91 -0.31 0.00 0.52 0.00 0.00 54.79 53.09 1tru n ASP 20 Cb 0.00 -0.16 0.04 0.00 -0.72 0.00 0.00 41.12 40.28 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 -0.96 3.13 0.79 -0.67 1.02 -1.20 -4.84 119.74 117.01 1tru s LYS 21 Ca 0.17 0.91 -0.13 0.00 0.02 0.00 0.00 55.97 56.94 1tru s LYS 21 Cb 0.09 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.46 1tru s LYS 21 CO 0.12 -0.94 1.18 -1.17 -0.92 0.00 0.00 175.35 173.62 1tru s LEU 22 N -5.41 3.16 -0.31 3.17 0.20 -1.26 -4.63 118.68 113.60 1tru s LEU 22 Ca 0.57 2.27 0.00 0.00 0.69 0.00 0.00 54.13 57.67 1tru s LEU 22 Cb -0.13 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1tru s LEU 22 CO 0.54 -2.49 0.32 -0.69 -0.29 0.00 0.00 176.35 173.74 1tru s VAL 23 N -2.24 -0.38 -0.29 1.68 1.01 -0.96 -2.79 120.40 116.43 1tru s VAL 23 Ca 0.71 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1tru s VAL 23 Cb -0.26 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1tru s VAL 23 CO 0.50 -0.50 0.24 -0.69 0.00 0.00 0.00 175.10 174.65 1tru s VAL 24 N 2.13 5.27 -0.09 2.92 1.01 -0.96 -0.12 120.40 130.55 1tru s VAL 24 Ca 0.11 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 1tru s VAL 24 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1tru s VAL 24 CO -0.25 0.19 0.28 -0.69 0.00 0.00 0.00 175.10 174.63 1tru s VAL 25 N 1.84 5.27 -0.23 2.92 1.01 0.48 -2.50 120.40 129.19 1tru s VAL 25 Ca 0.09 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1tru s VAL 25 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1tru s VAL 25 CO 0.11 0.53 -0.06 -0.62 0.00 0.00 0.00 175.10 175.05 1tru s ASP 26 N -0.54 4.20 -0.49 3.32 2.15 -0.87 -1.14 116.67 123.30 1tru s ASP 26 Ca 0.18 -0.64 -0.15 0.00 0.43 0.00 0.00 52.55 52.37 1tru s ASP 26 Cb -0.14 -1.68 0.09 0.00 -0.30 0.00 0.00 42.92 40.89 1tru s ASP 26 CO 0.07 -0.07 0.42 -0.36 -0.17 0.00 0.00 175.17 175.06 1tru s PHE 27 N 1.39 3.25 0.15 -5.34 0.08 0.48 -2.73 117.98 115.28 1tru s PHE 27 Ca 0.03 -1.08 -0.02 0.00 0.12 0.00 0.00 56.93 55.98 1tru s PHE 27 Cb -0.15 -3.37 -0.03 0.00 -0.57 0.00 0.00 43.02 38.89 1tru s PHE 27 CO -0.05 -0.87 0.12 -1.12 -0.10 0.00 0.00 175.22 173.20 1tru s SER 28 N 2.91 0.22 -0.57 1.36 0.01 -1.22 -2.02 113.70 114.38 1tru s SER 28 Ca 0.04 -1.20 -0.18 0.00 1.31 0.00 0.00 55.95 55.92 1tru s SER 28 Cb -0.26 0.34 0.11 0.00 0.21 0.00 0.00 66.02 66.42 1tru s SER 28 CO 0.05 -0.79 0.65 0.00 0.41 0.00 0.00 173.24 173.57 1tru s ALA 29 N -4.06 3.46 0.54 1.44 0.00 -1.26 -3.14 121.76 118.74 1tru s ALA 29 Ca 0.27 -2.26 0.24 0.00 0.00 0.00 0.00 51.96 50.21 1tru s ALA 29 Cb 0.07 -3.46 1.43 0.00 0.00 0.00 0.00 23.12 21.15 1tru s ALA 29 CO 0.04 -2.25 2.06 0.00 0.00 0.00 0.00 175.76 175.60 1tru h THR 30 N 5.91 0.73 -0.01 0.00 1.03 -1.95 0.13 112.91 118.75 1tru h THR 30 Ca -0.29 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 65.93 1tru h THR 30 Cb 1.09 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1tru h THR 30 CO 1.08 0.00 -0.78 4.11 -0.01 0.00 0.00 175.52 179.92 1tru h TRP 31 N 0.00 0.16 -3.77 0.00 5.08 -2.02 -3.45 115.95 111.95 1tru h TRP 31 Ca 0.15 -0.08 -0.47 0.00 1.08 0.00 0.00 58.89 59.57 1tru h TRP 31 Cb 0.64 -0.02 0.18 0.00 -3.00 0.00 0.00 29.16 26.97 1tru h TRP 31 CO 0.00 0.84 0.14 0.00 -1.28 0.00 0.00 178.44 178.15 1tru n GLY 33 N -0.08 -0.36 0.34 0.00 0.00 -1.26 -4.04 105.19 99.80 1tru n GLY 33 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.24 132.00 130.52 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 -0.14 0.00 -0.21 0.00 0.00 178.00 177.65 1tru n LYS 36 N -4.63 0.09 0.12 0.00 4.81 -0.57 -2.37 118.16 115.62 1tru n LYS 36 Ca -0.10 0.24 0.11 0.00 -0.87 0.00 0.00 58.31 57.69 1tru n LYS 36 Cb 0.39 -1.50 0.48 0.00 0.02 0.00 0.00 35.03 34.42 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 -1.38 0.16 -0.87 1.64 2.81 -0.63 -1.94 117.12 116.91 1tru n MET 37 Ca 0.04 0.47 0.02 0.00 -1.81 0.00 0.00 57.70 56.42 1tru n MET 37 Cb 0.11 -1.85 0.34 0.00 -0.71 0.00 0.00 33.22 31.10 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 -2.16 2.61 0.05 2.02 5.41 -1.00 -4.37 119.36 121.92 1tru n ILE 38 Ca 0.01 -1.35 -0.00 0.00 1.00 0.00 0.00 62.75 62.40 1tru n ILE 38 Cb 0.17 -0.34 -0.06 0.00 -0.71 0.00 0.00 39.64 38.70 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 3.21 0.00 0.00 0.38 2.10 -1.63 -3.27 116.57 117.36 1tru h LYS 39 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1tru h LYS 39 Cb 2.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.33 1tru h LYS 39 CO 0.54 0.40 0.00 -0.35 -2.00 0.00 0.00 179.45 178.04 1tru n PRO 40 N -3.01 0.46 0.00 0.07 -0.05 -1.26 -2.28 135.00 128.94 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 0.84 -1.25 -0.00 0.00 -0.05 0.00 0.00 33.50 33.04 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 -0.75 0.00 0.45 0.54 3.72 -1.24 -4.33 117.46 115.85 1tru n PHE 41 Ca 0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 1tru n PHE 41 Cb 0.02 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.04 -1.09 0.00 1.38 3.57 -1.63 -1.79 116.94 117.34 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 0.04 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1tru h PHE 42 CO -0.02 -0.67 0.00 1.58 -2.23 0.00 0.00 178.31 176.97 1tru n HIS 43 N -5.13 0.00 0.09 0.41 -0.00 -0.97 -1.91 115.22 107.71 1tru n HIS 43 Ca -0.14 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.09 1tru n HIS 43 Cb 0.46 -0.31 -0.02 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 0.00 0.26 0.87 -1.28 -3.29 113.55 110.11 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 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1tru h SER 44 CO 0.00 0.31 0.00 0.18 -0.53 0.00 0.00 176.83 176.79 1tru n LEU 45 N -2.88 0.00 -0.14 2.23 4.77 -0.80 -1.78 117.00 118.41 1tru n LEU 45 Ca -0.03 0.50 0.07 0.00 -0.03 0.00 0.00 56.01 56.51 1tru n LEU 45 Cb 0.70 -0.50 0.38 0.00 -2.33 0.00 0.00 43.42 41.67 1tru n LEU 45 CO 0.41 -0.50 1.20 0.28 -1.33 0.00 0.00 177.39 177.46 1tru h SER 46 N 0.00 0.59 0.87 -1.43 0.02 -1.76 0.59 113.55 112.42 1tru h SER 46 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1tru h SER 46 Cb 0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1tru h SER 46 CO 0.00 0.39 -1.21 -0.33 -1.14 0.00 0.00 176.83 174.54 1tru h GLU 47 N 0.68 0.00 0.00 3.45 4.39 -1.65 -3.34 114.58 118.11 1tru h GLU 47 Ca 0.28 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1tru h GLU 47 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1tru h GLU 47 CO -0.08 0.28 -0.33 -0.22 -1.16 0.00 0.00 179.01 177.50 1tru h LYS 48 N 0.00 0.00 -3.51 2.33 1.63 -1.37 -3.42 116.57 112.23 1tru h LYS 48 Ca -0.12 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 58.96 1tru h LYS 48 Cb 1.47 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.77 1tru h LYS 48 CO 0.04 0.30 -0.13 0.71 -3.45 0.00 0.00 179.45 176.92 1tru s TYR 49 N -1.98 3.70 -1.23 1.91 2.02 0.20 -4.88 117.35 117.09 1tru s TYR 49 Ca -0.12 -2.72 0.17 0.00 -0.37 0.00 0.00 57.07 54.03 1tru s TYR 49 Cb 0.01 -3.36 0.78 0.00 -0.40 0.00 0.00 41.96 38.99 1tru s TYR 49 CO 0.26 -0.83 1.51 -1.13 -1.57 0.00 0.00 175.55 173.79 1tru n SER 50 N 3.07 0.00 -2.25 2.29 3.41 -1.25 -2.83 113.62 116.06 1tru n SER 50 Ca 0.15 0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.75 1tru n SER 50 Cb 0.39 -0.39 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.39 5.00 -4.02 4.04 5.15 -1.26 -4.45 115.26 118.33 1tru n ASN 51 Ca 0.06 -3.65 -0.17 0.00 -0.60 0.00 0.00 54.58 50.22 1tru n ASN 51 Cb 0.16 -0.88 -0.14 0.00 -0.53 0.00 0.00 39.78 38.39 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 -3.74 0.64 -0.32 3.44 1.01 -1.13 -4.69 120.40 115.61 1tru s VAL 52 Ca 0.59 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 1tru s VAL 52 Cb 0.48 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 36.28 1tru s VAL 52 CO 0.07 0.11 0.29 -0.63 0.00 0.00 0.00 175.10 174.94 1tru s ILE 53 N -0.34 5.24 -0.17 2.22 -1.09 -1.12 -4.07 121.20 121.87 1tru s ILE 53 Ca 0.02 0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1tru s ILE 53 Cb -0.04 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1tru s ILE 53 CO -0.00 0.03 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.32 1tru s PHE 54 N 1.87 2.97 -0.11 3.97 0.08 -1.20 -2.26 117.98 123.30 1tru s PHE 54 Ca 0.09 -0.50 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 1tru s PHE 54 Cb -0.17 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1tru s PHE 54 CO 0.11 -0.19 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.51 1tru s LEU 55 N 0.64 3.43 -0.34 -0.37 1.02 -1.04 -2.75 118.68 119.26 1tru s LEU 55 Ca -0.03 0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 1tru s LEU 55 Cb -0.15 -1.80 0.07 0.00 0.02 0.00 0.00 46.19 44.33 1tru s LEU 55 CO 0.02 0.29 0.08 -0.70 0.02 0.00 0.00 176.35 176.07 1tru s GLU 56 N -0.38 2.34 -0.15 1.70 2.12 -1.09 -2.05 118.70 121.19 1tru s GLU 56 Ca 0.07 -1.41 -0.05 0.00 0.36 0.00 0.00 54.97 53.93 1tru s GLU 56 Cb -0.12 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1tru s GLU 56 CO 0.02 -0.76 0.03 0.08 -0.54 0.00 0.00 175.26 174.09 1tru s VAL 57 N 1.25 4.56 -0.37 3.70 1.01 -1.10 -2.70 120.40 126.74 1tru s VAL 57 Ca -0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1tru s VAL 57 Cb -0.21 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 1tru s VAL 57 CO -0.01 0.52 0.40 -0.62 0.00 0.00 0.00 175.10 175.38 1tru s ASP 58 N -0.09 6.19 0.00 3.32 2.15 -1.26 -3.39 116.67 123.59 1tru s ASP 58 Ca 0.05 -0.37 0.01 0.00 0.43 0.00 0.00 52.55 52.67 1tru s ASP 58 Cb -0.12 -2.21 0.05 0.00 -0.30 0.00 0.00 42.92 40.33 1tru s ASP 58 CO 0.02 -0.43 0.26 1.33 -0.17 0.00 0.00 175.17 176.18 1tru n VAL 59 N 5.32 0.00 -0.03 1.11 0.24 -1.19 -1.25 118.33 122.52 1tru n VAL 59 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.17 1tru n VAL 59 Cb 0.49 -0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 32.34 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 -0.57 3.47 0.03 -1.34 9.92 -1.26 -4.42 116.55 122.38 1tru n ASP 60 Ca 0.01 -0.03 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.00 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 0.47 -2.01 -2.24 3.58 -1.80 -3.37 116.42 111.06 1tru h ASP 61 Ca -0.16 -0.90 -0.75 0.00 0.42 0.00 0.00 57.03 55.64 1tru h ASP 61 Cb 1.27 -0.15 -0.29 0.00 1.72 0.00 0.00 39.33 41.87 1tru h ASP 61 CO -0.02 1.75 0.81 0.00 -2.88 0.00 0.00 179.24 178.90 1tru n ALA 62 N -2.96 6.22 0.09 -0.78 0.00 -0.38 -4.72 120.51 117.98 1tru n ALA 62 Ca -0.27 -4.26 0.06 0.00 0.00 0.00 0.00 53.44 48.97 1tru n ALA 62 Cb 1.00 -1.83 0.30 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.43 0.07 -0.02 0.00 10.64 -1.26 -0.96 117.38 125.42 1tru n GLN 63 Ca 0.50 0.54 -0.17 0.00 -1.83 0.00 0.00 57.00 56.04 1tru n GLN 63 Cb 0.29 -1.82 -0.07 0.00 -0.86 0.00 0.00 30.24 27.78 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 0.88 0.76 2.61 3.04 -1.94 -2.24 116.42 119.52 1tru h ASP 64 Ca 0.00 -0.63 -0.17 0.00 -3.24 0.00 0.00 57.03 52.99 1tru h ASP 64 Cb 0.16 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.17 1tru h ASP 64 CO 0.00 1.37 -0.80 0.58 -2.04 0.00 0.00 179.24 178.34 1tru h VAL 65 N 0.45 1.56 -0.23 4.15 2.07 -1.44 -2.24 116.25 120.58 1tru h VAL 65 Ca -0.05 -2.70 -0.05 0.00 0.82 0.00 0.00 66.70 64.73 1tru h VAL 65 Cb 1.35 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1tru h VAL 65 CO 0.15 0.77 -0.04 0.00 0.02 0.00 0.00 177.57 178.47 1tru h ALA 66 N 1.17 0.31 -0.38 1.67 0.00 -1.45 -0.74 119.26 119.84 1tru h ALA 66 Ca -0.01 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1tru h ALA 66 Cb 1.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1tru h ALA 66 CO 0.11 0.08 -0.38 1.03 0.00 0.00 0.00 179.25 180.09 1tru h SER 67 N 0.17 1.00 -0.09 0.00 0.87 -1.43 -0.35 113.55 113.72 1tru h SER 67 Ca 0.06 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1tru h SER 67 Cb 0.48 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1tru h SER 67 CO 0.02 1.26 0.04 -0.08 -0.53 0.00 0.00 176.83 177.54 1tru h GLU 68 N 0.76 0.12 0.00 2.24 4.57 -1.34 -1.43 114.58 119.50 1tru h GLU 68 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1tru h GLU 68 Cb 0.98 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1tru h GLU 68 CO 0.10 0.20 0.00 0.00 -1.18 0.00 0.00 179.01 178.12 1tru n ALA 69 N -2.18 2.41 -3.82 2.92 0.00 -0.29 -4.87 120.51 114.68 1tru n ALA 69 Ca -0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 1tru n ALA 69 Cb 0.09 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.82 -4.14 -2.77 0.00 4.71 -0.54 -4.87 120.64 112.20 1tru n GLU 70 Ca 0.13 0.52 -0.43 0.00 -0.01 0.00 0.00 57.16 57.37 1tru n GLU 70 Cb 0.06 -4.87 -0.04 0.00 -1.01 0.00 0.00 31.44 25.58 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1tru s VAL 71 N -3.80 4.25 -0.11 2.62 1.01 -0.21 -4.80 120.40 119.35 1tru s VAL 71 Ca 0.01 0.27 0.16 0.00 0.00 0.00 0.00 61.98 62.42 1tru s VAL 71 Cb -0.00 -4.63 0.25 0.00 0.00 0.00 0.00 36.38 31.99 1tru s VAL 71 CO 0.85 -1.28 1.13 0.29 0.00 0.00 0.00 175.10 176.08 1tru n LYS 72 N 7.84 1.12 -3.19 2.72 4.76 -1.26 -4.88 118.16 125.27 1tru n LYS 72 Ca 0.02 -2.37 -0.12 0.00 -2.87 0.00 0.00 58.31 52.97 1tru n LYS 72 Cb 0.47 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.49 -0.88 0.22 7.82 0.00 -1.26 -5.14 121.76 120.02 1tru s ALA 73 Ca 0.28 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1tru s ALA 73 Cb 0.24 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.05 1tru s ALA 73 CO 0.03 -2.16 0.44 0.95 0.00 0.00 0.00 175.76 175.01 1tru s THR 74 N 1.13 5.15 0.54 0.00 -4.23 -1.26 -4.09 115.64 112.88 1tru s THR 74 Ca 0.23 -0.22 -0.17 0.00 -1.18 0.00 0.00 61.69 60.35 1tru s THR 74 Cb -0.06 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 69.99 1tru s THR 74 CO -0.07 -0.20 1.03 -2.16 -0.54 0.00 0.00 174.62 172.68 1tru s PRO 75 N -3.34 3.65 0.00 3.99 0.04 -1.26 -5.01 135.00 133.07 1tru s PRO 75 Ca 0.40 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.60 1tru s PRO 75 Cb -0.11 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1tru s PRO 75 CO 0.29 -0.53 -0.02 0.99 0.04 0.00 0.00 177.00 177.76 1tru s THR 76 N -2.40 0.18 -0.19 1.26 2.01 -0.86 -3.39 115.64 112.24 1tru s THR 76 Ca 0.63 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1tru s THR 76 Cb -0.14 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.24 1tru s THR 76 CO 0.31 0.01 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.75 1tru s PHE 77 N -0.15 2.54 0.03 4.92 0.08 -1.12 -0.38 117.98 123.89 1tru s PHE 77 Ca -0.00 -1.58 0.03 0.00 0.12 0.00 0.00 56.93 55.50 1tru s PHE 77 Cb -0.01 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1tru s PHE 77 CO -0.00 -0.76 -0.03 -0.65 -0.10 0.00 0.00 175.22 173.68 1tru s GLN 78 N 1.36 2.60 -0.23 0.44 -0.21 -0.29 -2.18 119.66 121.15 1tru s GLN 78 Ca 0.02 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.60 1tru s GLN 78 Cb -0.15 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 1tru s GLN 78 CO -0.10 0.59 0.04 -0.06 -2.12 0.00 0.00 175.29 173.64 1tru s PHE 79 N -1.10 3.07 0.22 0.91 0.40 0.90 -0.39 117.98 121.99 1tru s PHE 79 Ca 0.20 -0.46 0.11 0.00 -0.60 0.00 0.00 56.93 56.19 1tru s PHE 79 Cb -0.11 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1tru s PHE 79 CO 0.11 -0.32 -0.21 -0.06 0.70 0.00 0.00 175.22 175.44 1tru s PHE 80 N 1.40 2.34 -0.21 0.36 0.08 0.82 -1.27 117.98 121.51 1tru s PHE 80 Ca 0.05 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 1tru s PHE 80 Cb -0.15 -1.11 0.06 0.00 -0.57 0.00 0.00 43.02 41.26 1tru s PHE 80 CO 0.02 0.57 0.50 0.21 -0.10 0.00 0.00 175.22 176.43 1tru s LYS 81 N -2.98 0.50 0.00 0.44 2.20 -0.60 -2.26 119.74 117.05 1tru s LYS 81 Ca 0.24 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1tru s LYS 81 Cb -0.07 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1tru s LYS 81 CO 0.12 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.59 1tru n LYS 82 N 4.20 -1.83 -0.26 4.03 5.02 -1.24 0.45 118.16 128.52 1tru n LYS 82 Ca -0.22 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1tru n LYS 82 Cb 0.56 -4.01 0.00 0.00 -0.02 0.00 0.00 35.03 31.56 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 0.50 1.57 2.88 0.72 0.00 -1.26 -4.97 105.19 104.63 1tru n GLY 83 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.18 1.09 -0.42 1.61 -0.21 0.17 -5.08 119.66 115.64 1tru s GLN 84 Ca 0.00 -0.13 -0.28 0.00 0.02 0.00 0.00 55.36 54.98 1tru s GLN 84 Cb 0.00 -1.18 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1tru s GLN 84 CO 0.00 -0.19 1.93 0.21 -2.12 0.00 0.00 175.29 175.12 1tru s LYS 85 N 1.43 2.96 -0.40 2.91 2.20 -1.26 -1.55 119.74 126.03 1tru s LYS 85 Ca -0.02 1.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.87 1tru s LYS 85 Cb -0.13 -4.31 0.46 0.00 -1.51 0.00 0.00 37.83 32.33 1tru s LYS 85 CO -0.04 -2.30 1.45 1.33 -0.36 0.00 0.00 175.35 175.44 1tru n VAL 86 N 7.46 2.86 0.00 4.02 0.24 -0.39 -4.99 118.33 127.53 1tru n VAL 86 Ca 0.24 -3.78 0.00 0.00 -2.04 0.00 0.00 64.34 58.76 1tru n VAL 86 Cb 0.49 -1.11 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 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 -0.79 4.10 3.58 7.63 0.00 -1.23 -4.93 105.19 113.55 1tru n GLY 87 Ca 0.49 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.74 0.51 -0.29 1.61 1.03 -1.26 -0.07 118.70 117.50 1tru s GLU 88 Ca 0.00 0.05 -0.18 0.00 0.03 0.00 0.00 54.97 54.86 1tru s GLU 88 Cb 0.00 0.24 0.13 0.00 -0.80 0.00 0.00 34.13 33.70 1tru s GLU 88 CO 0.00 -0.18 0.93 -0.59 -1.33 0.00 0.00 175.26 174.09 1tru s PHE 89 N -1.46 -0.65 -0.14 4.83 -0.12 -0.93 -5.00 117.98 114.52 1tru s PHE 89 Ca 0.02 1.36 -0.05 0.00 -0.05 0.00 0.00 56.93 58.21 1tru s PHE 89 Cb -0.01 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.02 -0.32 0.03 -1.54 -0.05 0.00 0.00 175.22 173.32 1tru s SER 90 N 1.11 5.39 0.00 1.98 1.04 -1.26 -2.81 113.70 119.15 1tru s SER 90 Ca -0.06 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1tru s SER 90 Cb -0.04 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1tru s SER 90 CO -0.13 0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1tru n GLY 91 N 2.89 4.03 2.16 7.32 0.00 -1.22 -4.97 105.19 115.40 1tru n GLY 91 Ca -0.18 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.39 6.92 -3.42 4.61 0.00 -1.26 -4.74 120.51 121.23 1tru n ALA 92 Ca 0.00 -2.67 -0.41 0.00 0.00 0.00 0.00 53.44 50.36 1tru n ALA 92 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 16.64 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 2.90 5.09 0.09 0.00 4.05 -1.26 -4.86 115.26 121.27 1tru n ASN 93 Ca 0.59 -3.11 0.11 0.00 0.45 0.00 0.00 54.58 52.62 1tru n ASN 93 Cb 0.59 -1.24 0.58 0.00 1.23 0.00 0.00 39.78 40.94 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 6.27 0.17 0.00 1.20 2.10 -1.98 0.22 116.57 124.55 1tru h LYS 94 Ca 0.18 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.75 1tru h LYS 94 Cb 0.83 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 1tru h LYS 94 CO 0.98 0.12 -0.30 0.93 -2.00 0.00 0.00 179.45 179.18 1tru h GLU 95 N 0.18 0.00 -0.40 0.07 4.39 -1.99 -2.85 114.58 113.98 1tru h GLU 95 Ca 0.13 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 1tru h GLU 95 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1tru h GLU 95 CO -0.02 0.30 -0.25 -0.22 -1.16 0.00 0.00 179.01 177.66 1tru h LYS 96 N 0.00 0.82 -0.99 2.33 3.64 -1.35 -2.95 116.57 118.06 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 0.64 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.32 1tru h LYS 96 CO 0.04 0.98 0.59 -0.07 -2.27 0.00 0.00 179.45 178.71 1tru h LEU 97 N 0.70 0.69 0.58 5.20 3.38 -1.47 0.19 115.31 124.58 1tru h LEU 97 Ca 0.09 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1tru h LEU 97 Cb 0.78 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1tru h LEU 97 CO 0.06 0.16 -0.28 -0.08 0.09 0.00 0.00 178.44 178.40 1tru h GLU 98 N 0.64 -0.74 -0.92 1.13 4.81 -1.64 0.26 114.58 118.11 1tru h GLU 98 Ca 0.61 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.99 1tru h GLU 98 Cb 1.08 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 1tru h GLU 98 CO -0.44 -0.44 0.56 0.00 -0.73 0.00 0.00 179.01 177.96 1tru h ALA 99 N -0.90 1.33 -0.10 2.92 0.00 -1.37 -0.64 119.26 120.50 1tru h ALA 99 Ca -0.08 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 99 Cb 0.65 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1tru h ALA 99 CO 0.13 0.20 -0.19 1.15 0.00 0.00 0.00 179.25 180.54 1tru h THR 100 N 0.93 1.39 -0.98 0.00 2.02 -0.63 -2.95 112.91 112.69 1tru h THR 100 Ca 0.44 -1.47 0.07 0.00 0.77 0.00 0.00 66.41 66.21 1tru h THR 100 Cb 0.37 2.11 -0.07 0.00 -1.74 0.00 0.00 68.15 68.83 1tru h THR 100 CO -0.24 0.42 0.63 0.40 0.37 0.00 0.00 175.52 177.10 1tru h ILE 101 N -0.14 1.07 0.00 3.11 2.04 -0.01 0.46 117.51 124.05 1tru h ILE 101 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1tru h ILE 101 Cb 0.78 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1tru h ILE 101 CO 0.04 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 175.20 1tru n ASN 102 N -4.53 0.00 -0.06 1.72 5.15 -0.29 -2.34 115.26 114.92 1tru n ASN 102 Ca 0.15 -0.66 -0.03 0.00 -0.60 0.00 0.00 54.58 53.44 1tru n ASN 102 Cb 0.19 -0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.41 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 -0.65 1.20 4.57 0.11 -3.35 114.58 116.46 1tru h GLU 103 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1tru h GLU 103 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1tru h GLU 103 CO 0.00 0.15 0.02 1.28 -1.18 0.00 0.00 179.01 179.27 1tru n LEU 104 N -4.74 5.20 0.00 1.64 4.77 -1.21 -5.13 117.00 117.54 1tru n LEU 104 Ca -0.02 -2.65 0.06 0.00 -0.03 0.00 0.00 56.01 53.37 1tru n LEU 104 Cb 0.10 -0.67 0.34 0.00 -2.33 0.00 0.00 43.42 40.86 1tru n LEU 104 CO 0.06 0.59 0.56 0.55 -1.33 0.00 0.00 177.39 177.82