#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 -0.18 2.03 1.01 -1.26 -3.02 120.40 119.13 1tru s VAL 2 Ca 0.00 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 1tru s VAL 2 Cb 0.00 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 35.03 1tru s VAL 2 CO 0.00 -0.70 0.38 -0.75 0.00 0.00 0.00 175.10 174.03 1tru s LYS 3 N -3.89 0.29 -0.20 2.72 2.47 -1.14 -4.99 119.74 115.00 1tru s LYS 3 Ca 0.07 0.95 -0.28 0.00 -1.56 0.00 0.00 55.97 55.15 1tru s LYS 3 Cb 0.06 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.65 1tru s LYS 3 CO -0.10 -0.25 0.99 -1.14 0.16 0.00 0.00 175.35 175.02 1tru s GLN 4 N 2.46 4.28 -0.50 4.03 0.74 -1.26 -2.85 119.66 126.56 1tru s GLN 4 Ca -0.02 1.29 -0.22 0.00 0.05 0.00 0.00 55.36 56.46 1tru s GLN 4 Cb -0.12 -3.62 0.04 0.00 1.10 0.00 0.00 33.01 30.41 1tru s GLN 4 CO -0.12 -0.54 0.79 0.42 -0.55 0.00 0.00 175.29 175.30 1tru s ILE 5 N 2.87 4.62 -0.42 -2.34 -1.09 -1.17 -4.87 121.20 118.80 1tru s ILE 5 Ca 0.43 0.15 0.23 0.00 -2.23 0.00 0.00 60.65 59.23 1tru s ILE 5 Cb -0.16 -4.39 -0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1tru s ILE 5 CO 0.09 -0.87 1.13 -0.62 -1.23 0.00 0.00 174.94 173.44 1tru n GLU 6 N 6.83 0.46 -3.58 2.79 -0.58 -1.26 -4.49 120.64 120.81 1tru n GLU 6 Ca -0.00 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 1tru n GLU 6 Cb 0.47 -1.75 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 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 -4.80 -0.46 0.61 1.62 1.04 -1.26 -4.31 113.70 106.15 1tru s SER 7 Ca 0.02 -0.22 0.29 0.00 0.48 0.00 0.00 55.95 56.53 1tru s SER 7 Cb 0.11 0.64 1.55 0.00 0.10 0.00 0.00 66.02 68.42 1tru s SER 7 CO 0.77 -1.10 1.94 0.50 0.98 0.00 0.00 173.24 176.33 1tru h LYS 8 N 2.01 0.00 0.71 4.02 3.64 -1.93 -1.66 116.57 123.36 1tru h LYS 8 Ca -0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1tru h LYS 8 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.33 0.00 -0.38 1.15 -2.27 0.00 0.00 179.45 178.28 1tru h THR 9 N 0.00 0.23 0.00 1.00 2.02 -2.00 -2.02 112.91 112.13 1tru h THR 9 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 1tru h THR 9 Cb 0.92 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1tru h THR 9 CO -0.00 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.80 1tru h ALA 10 N -0.74 1.37 0.66 6.16 0.00 -1.72 -2.54 119.26 122.45 1tru h ALA 10 Ca -0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1tru h ALA 10 Cb 0.79 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1tru h ALA 10 CO 0.13 0.11 -0.32 0.35 0.00 0.00 0.00 179.25 179.53 1tru h PHE 11 N 0.00 -0.82 -0.12 0.00 3.57 -1.03 0.34 116.94 118.88 1tru h PHE 11 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.24 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1tru h PHE 11 CO 0.00 -0.49 0.03 1.96 -2.23 0.00 0.00 178.31 177.58 1tru h GLN 12 N -0.93 0.18 -0.50 1.11 1.08 -1.30 -1.93 115.11 112.82 1tru h GLN 12 Ca -0.09 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1tru h GLN 12 Cb 0.69 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1tru h GLN 12 CO 0.15 0.33 0.33 0.93 -0.95 0.00 0.00 178.83 179.62 1tru h GLU 13 N -0.00 0.54 -0.25 1.46 4.39 -1.43 -1.20 114.58 118.09 1tru h GLU 13 Ca 0.04 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1tru h GLU 13 Cb 0.23 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1tru h GLU 13 CO -0.00 0.36 -0.45 0.00 -1.16 0.00 0.00 179.01 177.75 1tru h ALA 14 N 1.71 0.74 -0.11 3.43 0.00 0.03 0.13 119.26 125.19 1tru h ALA 14 Ca 0.20 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 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 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.68 1tru h LEU 15 N 0.51 0.28 -0.96 0.00 3.38 -0.50 -1.74 115.31 116.28 1tru h LEU 15 Ca 0.03 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1tru h LEU 15 Cb 0.99 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1tru h LEU 15 CO 0.09 0.71 -0.31 -0.78 0.09 0.00 0.00 178.44 178.24 1tru h ASP 16 N -0.14 0.38 0.76 -0.43 1.82 -1.26 -2.37 116.42 115.18 1tru h ASP 16 Ca 0.02 -0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 56.46 1tru h ASP 16 Cb 0.63 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1tru h ASP 16 CO 0.03 0.68 -0.27 0.00 -1.61 0.00 0.00 179.24 178.07 1tru h ALA 17 N 1.35 1.08 -0.30 -0.78 0.00 -0.89 -2.75 119.26 116.96 1tru h ALA 17 Ca 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1tru h ALA 17 Cb 0.71 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1tru h ALA 17 CO 0.05 0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.71 1tru h ALA 18 N 1.73 1.56 0.00 0.00 0.00 -0.75 -3.47 119.26 118.33 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 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1tru h ALA 18 CO 0.04 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1tru n GLY 19 N -1.13 1.91 0.00 0.00 0.00 -1.04 -3.17 105.19 101.76 1tru n GLY 19 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 7.09 0.63 -4.83 1.61 8.00 -1.26 -4.12 116.55 123.67 1tru n ASP 20 Ca 0.00 -1.30 -0.30 0.00 0.71 0.00 0.00 54.79 53.90 1tru n ASP 20 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tru s LYS 21 N -0.30 2.61 0.78 -1.24 1.02 -1.19 -4.80 119.74 116.63 1tru s LYS 21 Ca 0.00 0.70 -0.13 0.00 0.02 0.00 0.00 55.97 56.56 1tru s LYS 21 Cb 0.00 -1.97 0.07 0.00 -0.52 0.00 0.00 37.83 35.40 1tru s LYS 21 CO 0.00 -1.26 1.17 -1.17 -0.92 0.00 0.00 175.35 173.16 1tru s LEU 22 N -5.58 3.17 -0.31 3.17 0.20 -1.26 -4.57 118.68 113.49 1tru s LEU 22 Ca 0.59 2.21 0.00 0.00 0.69 0.00 0.00 54.13 57.63 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 0.54 -2.40 0.31 -0.69 -0.29 0.00 0.00 176.35 173.82 1tru s VAL 23 N -2.30 -0.36 -0.30 1.68 1.01 -0.96 -3.26 120.40 115.91 1tru s VAL 23 Ca 0.70 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1tru s VAL 23 Cb -0.25 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1tru s VAL 23 CO 0.49 -0.52 0.22 -0.69 0.00 0.00 0.00 175.10 174.60 1tru s VAL 24 N 2.06 5.29 -0.11 2.92 1.01 -1.02 -0.19 120.40 130.36 1tru s VAL 24 Ca 0.12 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 1tru s VAL 24 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1tru s VAL 24 CO -0.24 0.15 0.25 -0.69 0.00 0.00 0.00 175.10 174.57 1tru s VAL 25 N 1.77 5.32 -0.28 2.92 1.01 0.41 -2.49 120.40 129.06 1tru s VAL 25 Ca 0.07 0.46 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1tru s VAL 25 Cb -0.16 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1tru s VAL 25 CO 0.11 0.52 0.02 -0.62 0.00 0.00 0.00 175.10 175.13 1tru s ASP 26 N -0.45 4.77 -0.47 3.32 2.15 -0.84 -1.11 116.67 124.03 1tru s ASP 26 Ca 0.17 -0.80 -0.15 0.00 0.43 0.00 0.00 52.55 52.19 1tru s ASP 26 Cb -0.13 -1.78 0.07 0.00 -0.30 0.00 0.00 42.92 40.78 1tru s ASP 26 CO 0.06 -0.17 0.39 -0.36 -0.17 0.00 0.00 175.17 174.92 1tru s PHE 27 N 1.41 3.25 0.20 -5.34 0.08 0.07 -2.90 117.98 114.76 1tru s PHE 27 Ca 0.01 -0.96 -0.03 0.00 0.12 0.00 0.00 56.93 56.07 1tru s PHE 27 Cb -0.17 -3.18 -0.03 0.00 -0.57 0.00 0.00 43.02 39.07 1tru s PHE 27 CO -0.01 -0.80 0.18 -1.12 -0.10 0.00 0.00 175.22 173.37 1tru s SER 28 N 2.61 0.13 -0.56 1.36 0.01 -1.23 -1.76 113.70 114.24 1tru s SER 28 Ca 0.04 -1.27 -0.19 0.00 1.31 0.00 0.00 55.95 55.84 1tru s SER 28 Cb -0.24 0.40 0.10 0.00 0.21 0.00 0.00 66.02 66.49 1tru s SER 28 CO 0.06 -0.88 0.66 0.00 0.41 0.00 0.00 173.24 173.49 1tru s ALA 29 N -4.12 3.43 0.54 1.44 0.00 -1.26 -3.13 121.76 118.67 1tru s ALA 29 Ca 0.34 -2.15 0.23 0.00 0.00 0.00 0.00 51.96 50.37 1tru s ALA 29 Cb 0.06 -3.45 1.40 0.00 0.00 0.00 0.00 23.12 21.13 1tru s ALA 29 CO 0.10 -2.23 2.07 0.00 0.00 0.00 0.00 175.76 175.70 1tru h THR 30 N 5.90 0.77 0.00 0.00 1.03 -1.95 0.13 112.91 118.79 1tru h THR 30 Ca -0.29 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 65.96 1tru h THR 30 Cb 1.09 0.84 -0.02 0.00 -1.07 0.00 0.00 68.15 68.99 1tru h THR 30 CO 1.06 0.00 -0.73 4.11 -0.01 0.00 0.00 175.52 179.95 1tru h TRP 31 N 0.00 0.00 -3.89 0.00 5.08 -2.02 -3.45 115.95 111.67 1tru h TRP 31 Ca 0.14 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.64 1tru h TRP 31 Cb 0.59 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 26.92 1tru h TRP 31 CO 0.00 0.73 0.19 0.00 -1.28 0.00 0.00 178.44 178.08 1tru n GLY 33 N -0.55 -0.37 0.34 0.00 0.00 -1.26 -4.00 105.19 99.35 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 -0.75 132.00 131.01 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 -0.10 0.00 -0.21 0.00 0.00 178.00 177.69 1tru n LYS 36 N -4.65 0.06 0.12 0.00 4.81 -0.63 -2.09 118.16 115.78 1tru n LYS 36 Ca -0.08 0.28 0.11 0.00 -0.87 0.00 0.00 58.31 57.74 1tru n LYS 36 Cb 0.33 -1.50 0.48 0.00 0.02 0.00 0.00 35.03 34.37 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 -1.41 0.16 -0.80 1.64 1.56 -0.38 -1.77 117.12 116.11 1tru n MET 37 Ca 0.03 0.47 0.04 0.00 -0.27 0.00 0.00 57.70 57.97 1tru n MET 37 Cb 0.10 -1.85 0.34 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 -2.16 2.43 0.05 1.12 5.41 -0.89 -4.33 119.36 121.00 1tru n ILE 38 Ca 0.01 -1.24 -0.02 0.00 1.00 0.00 0.00 62.75 62.50 1tru n ILE 38 Cb 0.16 -0.33 -0.07 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 3.26 0.00 0.00 0.38 2.10 -1.58 -3.19 116.57 117.54 1tru h LYS 39 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1tru h LYS 39 Cb 1.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.18 1tru h LYS 39 CO 0.47 0.46 0.00 -0.35 -2.00 0.00 0.00 179.45 178.02 1tru n PRO 40 N -3.05 0.58 0.00 0.07 -0.05 -1.26 -2.42 135.00 128.87 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 0.86 -1.22 -0.00 0.00 -0.05 0.00 0.00 33.50 33.09 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 0.38 0.54 3.72 -1.24 -4.35 117.46 115.79 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 38.48 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 -0.03 -0.93 0.00 1.38 3.57 -1.64 -1.93 116.94 117.37 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 0.03 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1tru h PHE 42 CO -0.01 -0.57 0.00 1.58 -2.23 0.00 0.00 178.31 177.08 1tru n HIS 43 N -4.67 0.00 0.03 0.41 -0.00 -1.02 -2.12 115.22 107.85 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 0.39 -0.23 -0.09 0.00 -0.12 0.00 0.00 29.99 29.93 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 -1.30 -3.29 113.55 110.09 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 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1tru h SER 44 CO 0.00 0.78 0.01 0.18 -0.53 0.00 0.00 176.83 177.26 1tru n LEU 45 N -3.06 0.29 0.10 2.23 4.77 -0.90 -1.60 117.00 118.84 1tru n LEU 45 Ca -0.09 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 1tru n LEU 45 Cb 0.91 -0.67 0.59 0.00 -2.33 0.00 0.00 43.42 41.92 1tru n LEU 45 CO 0.44 -0.74 1.13 0.28 -1.33 0.00 0.00 177.39 177.18 1tru h SER 46 N 0.00 0.15 0.71 -1.43 0.02 -1.75 0.44 113.55 111.69 1tru h SER 46 Ca 0.00 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1tru h SER 46 Cb 0.01 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1tru h SER 46 CO 0.00 0.10 -1.42 -0.33 -1.14 0.00 0.00 176.83 174.04 1tru h GLU 47 N 0.17 0.00 0.00 3.45 5.08 -1.58 -3.37 114.58 118.33 1tru h GLU 47 Ca 0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1tru h GLU 47 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1tru h GLU 47 CO -0.02 0.40 -0.51 -0.22 -1.00 0.00 0.00 179.01 177.66 1tru h LYS 48 N 0.00 0.00 -3.68 2.33 3.64 -1.38 -3.42 116.57 114.06 1tru h LYS 48 Ca -0.18 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.47 1tru h LYS 48 Cb 1.71 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.21 1tru h LYS 48 CO 0.06 0.76 -0.20 0.71 -2.27 0.00 0.00 179.45 178.51 1tru s TYR 49 N -2.19 3.53 -1.12 1.91 1.51 0.15 -4.89 117.35 116.25 1tru s TYR 49 Ca -0.20 -2.45 0.18 0.00 -1.01 0.00 0.00 57.07 53.59 1tru s TYR 49 Cb 0.01 -3.42 0.81 0.00 -0.11 0.00 0.00 41.96 39.26 1tru s TYR 49 CO 0.51 -0.89 1.57 -1.13 -1.11 0.00 0.00 175.55 174.50 1tru n SER 50 N 3.67 0.00 -2.20 2.29 3.41 -1.26 -2.94 113.62 116.60 1tru n SER 50 Ca 0.10 0.37 -0.24 0.00 -0.26 0.00 0.00 58.87 58.83 1tru n SER 50 Cb 0.41 -0.44 0.16 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.44 4.24 -4.01 4.04 5.15 -1.26 -4.39 115.26 117.59 1tru n ASN 51 Ca 0.06 -3.57 -0.20 0.00 -0.60 0.00 0.00 54.58 50.27 1tru n ASN 51 Cb 0.19 -0.85 -0.15 0.00 -0.53 0.00 0.00 39.78 38.44 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 -3.36 0.78 -0.33 3.44 1.01 -1.15 -4.70 120.40 116.08 1tru s VAL 52 Ca 0.56 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 1tru s VAL 52 Cb 0.46 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1tru s VAL 52 CO 0.09 0.24 0.28 -0.63 0.00 0.00 0.00 175.10 175.08 1tru s ILE 53 N 0.04 5.25 -0.18 2.22 -1.09 -1.20 -3.40 121.20 122.83 1tru s ILE 53 Ca -0.01 -0.03 -0.05 0.00 -2.23 0.00 0.00 60.65 58.34 1tru s ILE 53 Cb -0.07 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1tru s ILE 53 CO 0.00 0.01 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.36 1tru s PHE 54 N 1.84 3.05 -0.12 3.97 0.08 -1.17 -2.45 117.98 123.20 1tru s PHE 54 Ca 0.09 -0.36 -0.03 0.00 0.12 0.00 0.00 56.93 56.74 1tru s PHE 54 Cb -0.17 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1tru s PHE 54 CO 0.11 -0.14 0.00 -0.51 -0.10 0.00 0.00 175.22 174.58 1tru s LEU 55 N 0.74 3.55 -0.36 -0.37 1.02 -1.04 -2.87 118.68 119.36 1tru s LEU 55 Ca -0.00 0.07 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 1tru s LEU 55 Cb -0.14 -1.84 0.08 0.00 0.02 0.00 0.00 46.19 44.31 1tru s LEU 55 CO 0.02 0.30 0.11 -0.70 0.02 0.00 0.00 176.35 176.10 1tru s GLU 56 N -0.38 2.27 -0.17 1.70 2.12 -1.13 -1.99 118.70 121.11 1tru s GLU 56 Ca 0.07 -1.50 -0.06 0.00 0.36 0.00 0.00 54.97 53.83 1tru s GLU 56 Cb -0.12 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1tru s GLU 56 CO 0.02 -0.84 0.04 0.08 -0.54 0.00 0.00 175.26 174.02 1tru s VAL 57 N 1.23 4.60 -0.35 3.70 1.01 -1.14 -3.02 120.40 126.43 1tru s VAL 57 Ca 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1tru s VAL 57 Cb -0.21 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1tru s VAL 57 CO -0.02 0.47 0.42 -0.62 0.00 0.00 0.00 175.10 175.35 1tru s ASP 58 N 0.32 6.22 0.00 3.32 2.15 -1.26 -3.53 116.67 123.89 1tru s ASP 58 Ca 0.02 -0.21 0.02 0.00 0.43 0.00 0.00 52.55 52.81 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 -0.41 0.35 1.33 -0.17 0.00 0.00 175.17 176.28 1tru n VAL 59 N 5.32 0.00 -0.05 1.11 0.24 -1.18 -1.16 118.33 122.60 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 0.49 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 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 -0.67 3.22 0.02 -1.34 9.92 -1.26 -4.38 116.55 122.06 1tru n ASP 60 Ca 0.01 -0.04 -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 40.37 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 0.45 -2.05 -2.24 3.58 -1.78 -3.37 116.42 111.01 1tru h ASP 61 Ca -0.21 -0.89 -0.74 0.00 0.42 0.00 0.00 57.03 55.60 1tru h ASP 61 Cb 1.36 -0.15 -0.31 0.00 1.72 0.00 0.00 39.33 41.96 1tru h ASP 61 CO -0.02 1.74 0.62 0.00 -2.88 0.00 0.00 179.24 178.70 1tru n ALA 62 N -2.97 5.97 0.12 -0.78 0.00 -0.31 -4.75 120.51 117.79 1tru n ALA 62 Ca -0.27 -4.38 0.07 0.00 0.00 0.00 0.00 53.44 48.86 1tru n ALA 62 Cb 0.99 -1.72 0.40 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.34 0.10 -0.05 0.00 3.00 -1.26 -1.03 117.38 117.79 1tru n GLN 63 Ca 0.47 0.58 -0.16 0.00 -0.01 0.00 0.00 57.00 57.88 1tru n GLN 63 Cb 0.32 -1.88 -0.06 0.00 0.00 0.00 0.00 30.24 28.61 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1tru h ASP 64 N 0.00 0.81 0.28 1.08 2.03 -1.94 -1.08 116.42 117.60 1tru h ASP 64 Ca 0.00 -0.58 -0.20 0.00 -0.73 0.00 0.00 57.03 55.51 1tru h ASP 64 Cb 0.13 -0.24 -0.00 0.00 -0.83 0.00 0.00 39.33 38.39 1tru h ASP 64 CO 0.00 1.25 -0.82 0.58 -1.03 0.00 0.00 179.24 179.22 1tru h VAL 65 N 0.41 1.39 -0.23 4.15 2.07 -1.46 -2.61 116.25 119.97 1tru h VAL 65 Ca -0.02 -2.27 -0.09 0.00 0.82 0.00 0.00 66.70 65.14 1tru h VAL 65 Cb 1.17 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1tru h VAL 65 CO 0.12 0.68 -0.27 0.00 0.02 0.00 0.00 177.57 178.12 1tru h ALA 66 N 0.84 1.12 0.39 1.67 0.00 -1.44 0.15 119.26 121.99 1tru h ALA 66 Ca -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1tru h ALA 66 Cb 1.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1tru h ALA 66 CO 0.14 0.55 -0.19 0.77 0.00 0.00 0.00 179.25 180.53 1tru h SER 67 N 0.38 -0.45 -0.03 0.00 0.02 -1.12 -2.33 113.55 110.03 1tru h SER 67 Ca 0.06 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1tru h SER 67 Cb 0.67 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1tru h SER 67 CO 0.05 -0.01 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.60 1tru h GLU 68 N -1.02 0.19 0.00 3.45 4.57 -1.48 0.06 114.58 120.36 1tru h GLU 68 Ca -0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1tru h GLU 68 Cb 0.52 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1tru h GLU 68 CO 0.09 0.25 0.00 0.00 -1.18 0.00 0.00 179.01 178.17 1tru n ALA 69 N -2.50 2.03 -3.87 2.92 0.00 0.52 -4.88 120.51 114.74 1tru n ALA 69 Ca -0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 1tru n ALA 69 Cb 0.19 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.39 -5.27 -2.82 0.00 1.02 0.01 -4.89 120.64 107.30 1tru n GLU 70 Ca 0.08 0.59 -0.43 0.00 -0.02 0.00 0.00 57.16 57.38 1tru n GLU 70 Cb 0.21 -5.37 -0.04 0.00 -0.02 0.00 0.00 31.44 26.21 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 -3.42 4.42 -0.07 2.62 1.01 -0.99 -4.82 120.40 119.15 1tru s VAL 71 Ca 0.48 0.54 0.08 0.00 0.00 0.00 0.00 61.98 63.08 1tru s VAL 71 Cb -0.24 -4.49 0.12 0.00 0.00 0.00 0.00 36.38 31.78 1tru s VAL 71 CO 0.83 -0.97 1.07 0.29 0.00 0.00 0.00 175.10 176.31 1tru n LYS 72 N 7.33 2.32 -3.31 2.72 5.02 -1.26 -4.89 118.16 126.09 1tru n LYS 72 Ca 0.04 -1.95 -0.11 0.00 -2.02 0.00 0.00 58.31 54.28 1tru n LYS 72 Cb 0.48 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 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 -1.76 -1.08 0.23 7.82 0.00 -1.26 -5.15 121.76 120.55 1tru s ALA 73 Ca 0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1tru s ALA 73 Cb 0.12 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1tru s ALA 73 CO 0.01 -2.05 0.45 0.95 0.00 0.00 0.00 175.76 175.13 1tru s THR 74 N 1.84 5.13 0.53 0.00 -4.23 -1.26 -4.08 115.64 113.57 1tru s THR 74 Ca 0.15 -0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.32 1tru s THR 74 Cb -0.12 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 69.94 1tru s THR 74 CO -0.12 -0.20 1.02 -2.16 -0.54 0.00 0.00 174.62 172.62 1tru s PRO 75 N -3.33 3.70 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.09 1tru s PRO 75 Ca 0.41 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 1tru s PRO 75 Cb -0.11 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1tru s PRO 75 CO 0.29 -0.49 0.02 0.99 0.04 0.00 0.00 177.00 177.85 1tru s THR 76 N -2.41 0.11 -0.21 1.26 2.01 -0.72 -3.43 115.64 112.25 1tru s THR 76 Ca 0.62 0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.78 1tru s THR 76 Cb -0.13 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 1tru s THR 76 CO 0.30 0.18 0.02 -0.36 -0.69 0.00 0.00 174.62 174.06 1tru s PHE 77 N 1.58 3.06 0.03 4.92 0.40 -1.06 -0.75 117.98 126.16 1tru s PHE 77 Ca -0.02 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.96 1tru s PHE 77 Cb -0.13 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 1tru s PHE 77 CO -0.03 -0.22 -0.13 -0.65 0.70 0.00 0.00 175.22 174.88 1tru s GLN 78 N 1.04 2.25 -0.36 0.44 -0.21 -0.27 -1.89 119.66 120.67 1tru s GLN 78 Ca 0.02 -0.89 -0.06 0.00 0.02 0.00 0.00 55.36 54.46 1tru s GLN 78 Cb -0.14 -2.31 0.06 0.00 1.00 0.00 0.00 33.01 31.61 1tru s GLN 78 CO 0.02 0.56 0.13 -0.06 -2.12 0.00 0.00 175.29 173.82 1tru s PHE 79 N -0.97 3.31 0.22 0.91 0.40 0.69 -0.45 117.98 122.09 1tru s PHE 79 Ca 0.16 -1.63 0.07 0.00 -0.60 0.00 0.00 56.93 54.92 1tru s PHE 79 Cb -0.11 -2.50 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 1tru s PHE 79 CO 0.07 -0.79 0.13 -0.06 0.70 0.00 0.00 175.22 175.26 1tru s PHE 80 N 1.35 3.03 -0.20 0.36 0.08 0.73 -1.79 117.98 121.55 1tru s PHE 80 Ca -0.00 -0.10 -0.13 0.00 0.12 0.00 0.00 56.93 56.82 1tru s PHE 80 Cb -0.21 -1.40 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1tru s PHE 80 CO 0.01 0.53 0.50 0.21 -0.10 0.00 0.00 175.22 176.37 1tru s LYS 81 N -3.48 0.51 -0.38 0.44 2.20 -0.62 -2.26 119.74 116.16 1tru s LYS 81 Ca 0.31 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1tru s LYS 81 Cb -0.09 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1tru s LYS 81 CO 0.23 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.71 1tru n LYS 82 N 3.95 -1.80 -0.79 4.03 5.02 -1.26 0.80 118.16 128.10 1tru n LYS 82 Ca -0.20 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1tru n LYS 82 Cb 0.56 -4.29 0.00 0.00 -0.02 0.00 0.00 35.03 31.28 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 0.38 1.12 2.87 0.72 0.00 -1.26 -4.95 105.19 104.07 1tru n GLY 83 Ca -0.04 -0.43 -0.23 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 -1.98 1.06 -0.31 1.61 -0.21 0.24 -5.09 119.66 114.98 1tru s GLN 84 Ca 0.00 -0.12 -0.28 0.00 0.02 0.00 0.00 55.36 54.98 1tru s GLN 84 Cb 0.00 -1.16 -0.02 0.00 1.00 0.00 0.00 33.01 32.83 1tru s GLN 84 CO 0.00 -0.19 1.88 0.21 -2.12 0.00 0.00 175.29 175.07 1tru s LYS 85 N 1.43 3.30 -0.21 2.91 2.20 -1.26 -1.59 119.74 126.52 1tru s LYS 85 Ca -0.02 1.55 0.14 0.00 -0.36 0.00 0.00 55.97 57.28 1tru s LYS 85 Cb -0.13 -4.23 0.47 0.00 -1.51 0.00 0.00 37.83 32.43 1tru s LYS 85 CO -0.03 -1.90 1.37 1.33 -0.36 0.00 0.00 175.35 175.76 1tru n VAL 86 N 7.48 2.29 0.00 4.02 0.24 -0.74 -4.99 118.33 126.64 1tru n VAL 86 Ca 0.24 -2.31 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 1tru n VAL 86 Cb 0.46 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.93 3.61 3.56 7.63 0.00 -1.20 -4.98 105.19 112.87 1tru n GLY 87 Ca 0.24 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.13 0.55 -0.28 1.61 4.04 -1.26 -0.22 118.70 121.00 1tru s GLU 88 Ca 0.00 -0.10 -0.23 0.00 0.04 0.00 0.00 54.97 54.67 1tru s GLU 88 Cb 0.00 0.25 0.12 0.00 0.02 0.00 0.00 34.13 34.53 1tru s GLU 88 CO 0.00 -0.22 1.01 -0.59 -1.84 0.00 0.00 175.26 173.62 1tru s PHE 89 N -2.23 -0.51 -0.14 4.83 -0.12 -0.79 -4.99 117.98 114.03 1tru s PHE 89 Ca 0.05 1.20 -0.04 0.00 -0.05 0.00 0.00 56.93 58.08 1tru s PHE 89 Cb -0.01 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1tru s PHE 89 CO -0.05 -0.25 0.00 -1.54 -0.05 0.00 0.00 175.22 173.34 1tru s SER 90 N 0.43 5.16 0.00 1.98 1.04 -1.26 -2.58 113.70 118.47 1tru s SER 90 Ca 0.01 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1tru s SER 90 Cb -0.05 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1tru s SER 90 CO -0.08 0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1tru n GLY 91 N 3.10 4.08 2.68 7.32 0.00 -1.22 -5.01 105.19 116.14 1tru n GLY 91 Ca -0.18 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.14 5.82 -3.83 4.61 0.00 -1.26 -4.79 120.51 119.92 1tru n ALA 92 Ca 0.00 -3.86 -0.30 0.00 0.00 0.00 0.00 53.44 49.29 1tru n ALA 92 Cb 0.00 -3.49 -0.13 0.00 0.00 0.00 0.00 19.45 15.83 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 2.93 4.01 0.52 0.00 3.84 -1.26 -4.94 114.94 120.04 1tru s ASN 93 Ca 0.50 -2.94 0.18 0.00 0.21 0.00 0.00 52.86 50.80 1tru s ASN 93 Cb 0.14 -1.36 1.31 0.00 -0.55 0.00 0.00 41.25 40.80 1tru s ASN 93 CO -0.08 -0.23 2.14 0.07 -2.79 0.00 0.00 177.10 176.21 1tru h LYS 94 N 6.46 0.00 0.00 0.43 -0.00 -1.97 -0.51 116.57 120.97 1tru h LYS 94 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.56 1tru h LYS 94 Cb 0.89 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.11 1tru h LYS 94 CO 0.60 0.03 -0.34 0.93 -0.00 0.00 0.00 179.45 180.67 1tru h GLU 95 N 0.00 0.00 -0.43 0.07 3.07 -1.99 -2.93 114.58 112.36 1tru h GLU 95 Ca -0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 1tru h GLU 95 Cb 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1tru h GLU 95 CO 0.00 0.34 -0.12 -0.22 -1.40 0.00 0.00 179.01 177.61 1tru h LYS 96 N 0.00 0.85 -0.73 2.33 3.64 -1.50 -2.59 116.57 118.56 1tru h LYS 96 Ca -0.00 -0.33 0.21 0.00 -1.27 0.00 0.00 60.65 59.26 1tru h LYS 96 Cb 0.68 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1tru h LYS 96 CO 0.04 0.97 0.63 -0.07 -2.27 0.00 0.00 179.45 178.76 1tru h LEU 97 N 0.67 0.00 0.17 5.20 3.38 -1.49 -0.72 115.31 122.52 1tru h LEU 97 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1tru h LEU 97 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1tru h LEU 97 CO 0.05 0.00 -0.08 -0.08 0.09 0.00 0.00 178.44 178.42 1tru h GLU 98 N 0.00 -0.21 -0.64 1.13 4.22 -1.56 0.20 114.58 117.71 1tru h GLU 98 Ca 0.35 0.01 0.14 0.00 0.08 0.00 0.00 59.36 59.94 1tru h GLU 98 Cb 1.61 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.87 1tru h GLU 98 CO -0.00 -0.14 0.43 0.00 -2.18 0.00 0.00 179.01 177.12 1tru h ALA 99 N -1.82 2.22 0.13 2.92 0.00 -1.52 -0.64 119.26 120.55 1tru h ALA 99 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1tru h ALA 99 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tru h ALA 99 CO 0.04 -0.39 -0.06 1.15 0.00 0.00 0.00 179.25 179.98 1tru h THR 100 N 0.27 1.02 -0.99 0.00 2.02 -1.12 -2.61 112.91 111.50 1tru h THR 100 Ca 0.30 -1.11 0.06 0.00 0.77 0.00 0.00 66.41 66.44 1tru h THR 100 Cb 0.83 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.83 1tru h THR 100 CO -0.07 0.24 0.64 0.40 0.37 0.00 0.00 175.52 177.11 1tru h ILE 101 N -0.75 1.10 0.00 3.11 2.04 -0.05 0.46 117.51 123.42 1tru h ILE 101 Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1tru h ILE 101 Cb 0.54 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1tru h ILE 101 CO 0.03 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 175.19 1tru n ASN 102 N -4.49 0.00 -0.06 1.72 2.85 -0.30 -2.24 115.26 112.74 1tru n ASN 102 Ca 0.15 -0.54 -0.05 0.00 -0.11 0.00 0.00 54.58 54.03 1tru n ASN 102 Cb 0.18 -0.06 -0.04 0.00 1.24 0.00 0.00 39.78 41.10 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 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 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1tru h GLU 103 CO 0.00 0.33 0.00 1.28 -1.18 0.00 0.00 179.01 179.44 1tru n LEU 104 N -4.71 5.29 0.00 1.64 4.77 -1.21 -5.12 117.00 117.66 1tru n LEU 104 Ca -0.04 -2.68 0.06 0.00 -0.03 0.00 0.00 56.01 53.31 1tru n LEU 104 Cb 0.18 -0.65 0.34 0.00 -2.33 0.00 0.00 43.42 40.95 1tru n LEU 104 CO 0.11 0.64 0.56 0.55 -1.33 0.00 0.00 177.39 177.93