#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 0.12 -0.22 1.12 1.01 -1.26 -3.65 120.40 117.51 1tru s VAL 2 Ca 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 1tru s VAL 2 Cb 0.00 -1.69 0.12 0.00 0.00 0.00 0.00 36.38 34.81 1tru s VAL 2 CO 0.00 -0.55 0.37 -0.75 0.00 0.00 0.00 175.10 174.18 1tru s LYS 3 N -3.95 0.32 -0.10 2.72 2.20 -0.87 -4.98 119.74 115.09 1tru s LYS 3 Ca 0.13 0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 1tru s LYS 3 Cb 0.05 -0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.08 1tru s LYS 3 CO -0.04 -0.53 0.98 -1.14 -0.36 0.00 0.00 175.35 174.26 1tru s GLN 4 N 2.55 4.43 -0.42 4.03 0.74 -1.26 -2.56 119.66 127.17 1tru s GLN 4 Ca 0.08 1.36 -0.23 0.00 0.05 0.00 0.00 55.36 56.62 1tru s GLN 4 Cb -0.14 -3.53 0.02 0.00 1.10 0.00 0.00 33.01 30.45 1tru s GLN 4 CO -0.14 -0.27 0.76 0.42 -0.55 0.00 0.00 175.29 175.50 1tru s ILE 5 N 1.87 4.70 -0.40 -2.34 -1.09 -1.15 -4.89 121.20 117.91 1tru s ILE 5 Ca 0.48 0.52 0.23 0.00 -2.23 0.00 0.00 60.65 59.65 1tru s ILE 5 Cb -0.18 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1tru s ILE 5 CO 0.19 -0.61 1.16 -0.33 -1.23 0.00 0.00 174.94 174.11 1tru h GLU 6 N 8.82 0.00 -3.01 2.79 5.08 -1.94 -3.42 114.58 122.90 1tru h GLU 6 Ca -0.25 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1tru h GLU 6 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1tru h GLU 6 CO 0.93 0.00 0.21 -1.54 -1.00 0.00 0.00 179.01 177.62 1tru s SER 7 N -4.95 -0.47 0.60 1.42 1.04 -1.26 -4.40 113.70 105.67 1tru s SER 7 Ca 0.02 -0.19 0.29 0.00 0.48 0.00 0.00 55.95 56.55 1tru s SER 7 Cb 0.11 0.64 1.54 0.00 0.10 0.00 0.00 66.02 68.41 1tru s SER 7 CO 0.76 -1.08 1.95 0.50 0.98 0.00 0.00 173.24 176.35 1tru h LYS 8 N 2.01 0.00 0.70 4.02 3.64 -1.93 -1.74 116.57 123.27 1tru h LYS 8 Ca -0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1tru h LYS 8 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.34 0.00 -0.35 1.15 -2.27 0.00 0.00 179.45 178.32 1tru h THR 9 N 0.00 0.28 0.00 1.00 2.02 -2.00 -1.97 112.91 112.24 1tru h THR 9 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1tru h THR 9 Cb 0.94 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1tru h THR 9 CO -0.00 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.86 1tru h ALA 10 N -0.66 1.15 0.75 6.16 0.00 -1.73 -2.75 119.26 122.18 1tru h ALA 10 Ca -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.74 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1tru h ALA 10 CO 0.15 0.04 -0.36 0.35 0.00 0.00 0.00 179.25 179.43 1tru h PHE 11 N 0.00 -0.94 -0.08 0.00 3.57 -1.07 0.40 116.94 118.82 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 0.18 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1tru h PHE 11 CO 0.00 -0.56 0.03 1.96 -2.23 0.00 0.00 178.31 177.51 1tru h GLN 12 N -1.09 0.13 -0.52 1.11 1.08 -1.37 -1.64 115.11 112.80 1tru h GLN 12 Ca -0.10 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1tru h GLN 12 Cb 0.79 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 1tru h GLN 12 CO 0.17 0.26 0.35 0.93 -0.95 0.00 0.00 178.83 179.59 1tru h GLU 13 N -0.03 0.58 -0.23 1.46 4.39 -1.49 -1.26 114.58 117.99 1tru h GLU 13 Ca 0.03 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 1tru h GLU 13 Cb 0.18 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1tru h GLU 13 CO -0.00 0.38 -0.45 0.00 -1.16 0.00 0.00 179.01 177.78 1tru h ALA 14 N 1.70 0.79 -0.02 3.43 0.00 0.21 0.60 119.26 125.97 1tru h ALA 14 Ca 0.21 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1tru h ALA 14 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tru h ALA 14 CO -0.05 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 179.77 1tru h LEU 15 N 0.46 0.05 -1.00 0.00 3.38 -0.31 -1.17 115.31 116.71 1tru h LEU 15 Ca 0.03 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 1tru h LEU 15 Cb 0.97 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1tru h LEU 15 CO 0.09 0.51 -0.32 -0.78 0.09 0.00 0.00 178.44 178.02 1tru h ASP 16 N -0.42 0.32 0.44 -0.43 1.82 -1.31 -2.56 116.42 114.29 1tru h ASP 16 Ca 0.00 -0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.42 1tru h ASP 16 Cb 0.49 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1tru h ASP 16 CO 0.00 0.63 -0.49 0.00 -1.61 0.00 0.00 179.24 177.78 1tru h ALA 17 N 1.39 1.14 0.00 -0.78 0.00 -0.82 -2.62 119.26 117.57 1tru h ALA 17 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1tru h ALA 17 Cb 0.71 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tru h ALA 17 CO 0.05 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.83 1tru h ALA 18 N 1.45 1.68 0.00 0.00 0.00 -0.77 -3.48 119.26 118.14 1tru h ALA 18 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 18 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1tru h ALA 18 CO 0.07 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1tru n GLY 19 N -1.13 1.37 0.55 0.00 0.00 -0.99 -3.25 105.19 101.75 1tru n GLY 19 Ca -0.03 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 7.92 2.91 -4.83 1.61 9.92 -1.26 -3.94 116.55 128.89 1tru n ASP 20 Ca 0.00 -2.22 -0.30 0.00 -0.53 0.00 0.00 54.79 51.74 1tru n ASP 20 Cb 0.00 -0.26 0.06 0.00 -0.64 0.00 0.00 41.12 40.28 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 -1.39 2.67 0.82 -1.24 1.02 -1.20 -4.80 119.74 115.61 1tru s LYS 21 Ca 0.23 0.70 -0.12 0.00 0.02 0.00 0.00 55.97 56.80 1tru s LYS 21 Cb 0.14 -1.98 0.09 0.00 -0.52 0.00 0.00 37.83 35.56 1tru s LYS 21 CO 0.11 -1.22 1.17 -1.17 -0.92 0.00 0.00 175.35 173.32 1tru s LEU 22 N -5.55 3.08 -0.33 3.17 0.20 -1.26 -4.61 118.68 113.37 1tru s LEU 22 Ca 0.59 2.22 0.02 0.00 0.69 0.00 0.00 54.13 57.64 1tru s LEU 22 Cb -0.13 -4.57 0.15 0.00 -0.43 0.00 0.00 46.19 41.21 1tru s LEU 22 CO 0.54 -2.60 0.34 -0.69 -0.29 0.00 0.00 176.35 173.65 1tru s VAL 23 N -2.39 -0.37 -0.30 1.68 1.01 -0.89 -2.94 120.40 116.20 1tru s VAL 23 Ca 0.69 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1tru s VAL 23 Cb -0.25 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1tru s VAL 23 CO 0.52 -0.52 0.24 -0.69 0.00 0.00 0.00 175.10 174.65 1tru s VAL 24 N 1.86 5.27 -0.08 2.92 1.01 -1.01 -0.19 120.40 130.19 1tru s VAL 24 Ca 0.13 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 1tru s VAL 24 Cb -0.15 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1tru s VAL 24 CO -0.17 0.15 0.31 -0.69 0.00 0.00 0.00 175.10 174.71 1tru s VAL 25 N 1.82 5.23 -0.31 2.92 1.01 0.65 -2.61 120.40 129.12 1tru s VAL 25 Ca 0.08 0.61 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 1tru s VAL 25 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1tru s VAL 25 CO 0.11 0.52 0.07 -0.62 0.00 0.00 0.00 175.10 175.18 1tru s ASP 26 N -0.53 5.09 -0.55 3.32 2.15 -0.67 -1.14 116.67 124.33 1tru s ASP 26 Ca 0.20 -0.91 -0.17 0.00 0.43 0.00 0.00 52.55 52.10 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 0.08 -0.24 0.54 -0.36 -0.17 0.00 0.00 175.17 175.03 1tru s PHE 27 N 1.43 3.19 0.20 -5.34 0.08 0.09 -2.71 117.98 114.92 1tru s PHE 27 Ca 0.00 -1.19 -0.03 0.00 0.12 0.00 0.00 56.93 55.83 1tru s PHE 27 Cb -0.18 -3.82 -0.03 0.00 -0.57 0.00 0.00 43.02 38.42 1tru s PHE 27 CO 0.02 -1.07 0.18 -1.12 -0.10 0.00 0.00 175.22 173.13 1tru s SER 28 N 3.55 0.12 -0.53 1.36 0.01 -1.21 -1.78 113.70 115.21 1tru s SER 28 Ca 0.05 -1.31 -0.18 0.00 1.31 0.00 0.00 55.95 55.82 1tru s SER 28 Cb -0.28 0.41 0.09 0.00 0.21 0.00 0.00 66.02 66.45 1tru s SER 28 CO 0.04 -0.88 0.58 0.00 0.41 0.00 0.00 173.24 173.39 1tru s ALA 29 N -4.13 3.48 0.55 1.44 0.00 -1.26 -3.13 121.76 118.71 1tru s ALA 29 Ca 0.36 -2.12 0.24 0.00 0.00 0.00 0.00 51.96 50.43 1tru s ALA 29 Cb 0.06 -3.33 1.45 0.00 0.00 0.00 0.00 23.12 21.30 1tru s ALA 29 CO 0.11 -2.06 2.07 0.00 0.00 0.00 0.00 175.76 175.88 1tru h THR 30 N 5.86 0.71 0.00 0.00 1.03 -1.95 0.17 112.91 118.74 1tru h THR 30 Ca -0.29 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 65.96 1tru h THR 30 Cb 1.10 0.83 -0.02 0.00 -1.07 0.00 0.00 68.15 68.99 1tru h THR 30 CO 1.00 0.00 -0.74 4.11 -0.01 0.00 0.00 175.52 179.88 1tru h TRP 31 N 0.00 0.00 -3.82 0.00 5.08 -2.02 -3.45 115.95 111.73 1tru h TRP 31 Ca 0.13 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 0.18 0.00 -3.00 0.00 0.00 29.16 26.92 1tru h TRP 31 CO 0.00 0.74 0.16 0.00 -1.28 0.00 0.00 178.44 178.07 1tru n GLY 33 N -0.34 -0.37 0.34 0.00 0.00 -1.26 -4.00 105.19 99.55 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 -0.92 132.00 130.84 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 -0.11 0.00 -0.21 0.00 0.00 178.00 177.68 1tru n LYS 36 N -4.65 0.09 0.14 0.00 4.81 -0.61 -2.09 118.16 115.85 1tru n LYS 36 Ca -0.08 0.25 0.12 0.00 -0.87 0.00 0.00 58.31 57.72 1tru n LYS 36 Cb 0.33 -1.50 0.52 0.00 0.02 0.00 0.00 35.03 34.39 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 -1.37 0.18 -1.01 1.64 1.56 -0.45 -2.04 117.12 115.63 1tru n MET 37 Ca 0.04 0.48 -0.14 0.00 -0.27 0.00 0.00 57.70 57.81 1tru n MET 37 Cb 0.09 -1.90 0.21 0.00 2.15 0.00 0.00 33.22 33.77 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 -2.25 2.82 0.05 1.12 5.41 -0.89 -4.37 119.36 121.25 1tru n ILE 38 Ca 0.01 -1.57 0.02 0.00 1.00 0.00 0.00 62.75 62.21 1tru n ILE 38 Cb 0.18 -0.48 -0.06 0.00 -0.71 0.00 0.00 39.64 38.56 1tru n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1tru h LYS 39 N 1.53 0.00 0.00 0.38 2.10 -1.65 -3.24 116.57 115.68 1tru h LYS 39 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1tru h LYS 39 Cb 2.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.77 1tru h LYS 39 CO 0.84 0.25 0.00 -0.35 -2.00 0.00 0.00 179.45 178.20 1tru n PRO 40 N -2.88 0.66 0.00 0.07 -0.04 -1.26 -2.67 135.00 128.88 1tru n PRO 40 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1tru n PRO 40 Cb 0.79 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tru n PHE 41 N -0.78 0.00 0.36 0.54 3.01 -1.25 -4.37 117.46 114.98 1tru n PHE 41 Ca 0.09 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.41 1tru n PHE 41 Cb 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.44 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1tru h PHE 42 N 0.00 -0.85 0.00 1.38 3.57 -1.68 -2.01 116.94 117.35 1tru h PHE 42 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 42 Cb 0.00 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1tru h PHE 42 CO 0.00 -0.53 0.00 1.58 -2.23 0.00 0.00 178.31 177.13 1tru n HIS 43 N -4.48 0.00 0.07 0.41 -0.00 -1.09 -1.90 115.22 108.23 1tru n HIS 43 Ca -0.11 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.08 1tru n HIS 43 Cb 0.36 -0.26 -0.05 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 0.01 0.26 0.87 -1.23 -3.28 113.55 110.18 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 0.54 0.00 0.18 -0.53 0.00 0.00 176.83 177.02 1tru n LEU 45 N -2.99 0.25 -0.08 2.23 4.77 -0.80 -1.72 117.00 118.67 1tru n LEU 45 Ca -0.06 0.62 0.09 0.00 -0.03 0.00 0.00 56.01 56.63 1tru n LEU 45 Cb 0.80 -0.65 0.45 0.00 -2.33 0.00 0.00 43.42 41.70 1tru n LEU 45 CO 0.42 -0.70 1.19 0.28 -1.33 0.00 0.00 177.39 177.25 1tru h SER 46 N 0.00 0.45 0.80 -1.43 0.02 -1.75 0.58 113.55 112.21 1tru h SER 46 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1tru h SER 46 Cb 0.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1tru h SER 46 CO 0.00 0.29 -1.31 -0.33 -1.14 0.00 0.00 176.83 174.35 1tru h GLU 47 N 0.52 0.00 0.00 3.45 4.39 -1.62 -3.34 114.58 117.97 1tru h GLU 47 Ca 0.25 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1tru h GLU 47 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1tru h GLU 47 CO -0.07 0.33 -0.35 -0.22 -1.16 0.00 0.00 179.01 177.54 1tru h LYS 48 N 0.00 0.00 -3.51 2.33 1.63 -1.34 -3.42 116.57 112.26 1tru h LYS 48 Ca -0.14 0.00 -0.73 0.00 -0.85 0.00 0.00 60.65 58.93 1tru h LYS 48 Cb 1.58 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.88 1tru h LYS 48 CO 0.05 0.33 -0.07 0.71 -3.45 0.00 0.00 179.45 177.01 1tru s TYR 49 N -2.00 3.77 -1.38 1.91 2.02 0.19 -4.87 117.35 116.99 1tru s TYR 49 Ca -0.12 -2.71 0.17 0.00 -0.37 0.00 0.00 57.07 54.03 1tru s TYR 49 Cb 0.01 -3.41 0.82 0.00 -0.40 0.00 0.00 41.96 38.99 1tru s TYR 49 CO 0.28 -0.84 1.49 -1.13 -1.57 0.00 0.00 175.55 173.78 1tru n SER 50 N 3.01 0.00 -2.21 2.29 3.41 -1.25 -2.76 113.62 116.10 1tru n SER 50 Ca 0.16 0.10 -0.26 0.00 -0.26 0.00 0.00 58.87 58.62 1tru n SER 50 Cb 0.39 -0.31 0.15 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.31 4.62 -4.04 4.04 5.15 -1.26 -4.57 115.26 117.89 1tru n ASN 51 Ca 0.07 -3.60 -0.18 0.00 -0.60 0.00 0.00 54.58 50.27 1tru n ASN 51 Cb 0.14 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.38 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 0.74 -0.31 3.44 1.01 -1.11 -4.70 120.40 115.94 1tru s VAL 52 Ca 0.57 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 1tru s VAL 52 Cb 0.47 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1tru s VAL 52 CO 0.08 0.11 0.27 -0.63 0.00 0.00 0.00 175.10 174.93 1tru s ILE 53 N -0.43 5.25 -0.16 2.22 -1.09 -1.15 -4.39 121.20 121.45 1tru s ILE 53 Ca 0.02 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.52 1tru s ILE 53 Cb -0.05 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1tru s ILE 53 CO -0.00 0.09 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.37 1tru s PHE 54 N 1.86 2.93 -0.12 3.97 0.08 -1.24 -2.39 117.98 123.08 1tru s PHE 54 Ca 0.09 -0.59 -0.02 0.00 0.12 0.00 0.00 56.93 56.53 1tru s PHE 54 Cb -0.16 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1tru s PHE 54 CO 0.11 -0.23 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.46 1tru s LEU 55 N 0.66 3.38 -0.35 -0.37 1.02 -1.07 -2.06 118.68 119.89 1tru s LEU 55 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1tru s LEU 55 Cb -0.15 -1.79 0.07 0.00 0.02 0.00 0.00 46.19 44.35 1tru s LEU 55 CO 0.02 0.28 0.10 -0.70 0.02 0.00 0.00 176.35 176.07 1tru s GLU 56 N -0.30 2.29 -0.16 1.70 2.12 -1.06 -1.67 118.70 121.61 1tru s GLU 56 Ca 0.06 -1.48 -0.06 0.00 0.36 0.00 0.00 54.97 53.85 1tru s GLU 56 Cb -0.12 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1tru s GLU 56 CO 0.02 -0.81 0.04 0.08 -0.54 0.00 0.00 175.26 174.05 1tru s VAL 57 N 1.23 4.58 -0.33 3.70 1.01 -1.10 -2.91 120.40 126.58 1tru s VAL 57 Ca 0.01 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1tru s VAL 57 Cb -0.21 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1tru s VAL 57 CO -0.02 0.49 0.35 -0.62 0.00 0.00 0.00 175.10 175.31 1tru s ASP 58 N 0.14 6.18 0.00 3.32 2.15 -1.26 -3.35 116.67 123.85 1tru s ASP 58 Ca 0.03 -0.16 0.02 0.00 0.43 0.00 0.00 52.55 52.88 1tru s ASP 58 Cb -0.13 -2.19 0.12 0.00 -0.30 0.00 0.00 42.92 40.42 1tru s ASP 58 CO 0.01 -0.30 0.40 1.33 -0.17 0.00 0.00 175.17 176.44 1tru n VAL 59 N 5.21 0.00 -0.05 1.11 0.24 -1.18 -1.01 118.33 122.65 1tru n VAL 59 Ca -0.09 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.14 1tru n VAL 59 Cb 0.50 -0.61 -0.05 0.00 -1.47 0.00 0.00 33.84 32.21 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 -0.69 3.22 0.01 -1.34 9.92 -1.26 -4.37 116.55 122.04 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 -0.10 -0.14 0.00 -0.64 0.00 0.00 41.12 40.25 1tru n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1tru h ASP 61 N 0.00 0.41 -1.95 -2.24 1.82 -1.82 -3.37 116.42 109.27 1tru h ASP 61 Ca -0.22 -0.87 -0.74 0.00 -0.39 0.00 0.00 57.03 54.80 1tru h ASP 61 Cb 1.35 -0.13 -0.30 0.00 0.68 0.00 0.00 39.33 40.93 1tru h ASP 61 CO -0.03 1.72 0.76 0.00 -1.61 0.00 0.00 179.24 180.08 1tru n ALA 62 N -2.99 6.24 0.07 -0.78 0.00 -0.18 -4.72 120.51 118.14 1tru n ALA 62 Ca -0.28 -4.20 0.04 0.00 0.00 0.00 0.00 53.44 49.00 1tru n ALA 62 Cb 0.97 -1.77 0.22 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.49 0.05 -0.04 0.00 10.64 -1.26 -1.31 117.38 124.98 1tru n GLN 63 Ca 0.51 0.53 -0.15 0.00 -1.83 0.00 0.00 57.00 56.05 1tru n GLN 63 Cb 0.30 -1.72 -0.08 0.00 -0.86 0.00 0.00 30.24 27.88 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 0.55 0.30 2.61 2.03 -1.93 -0.98 116.42 119.00 1tru h ASP 64 Ca 0.00 -0.62 -0.20 0.00 -0.73 0.00 0.00 57.03 55.48 1tru h ASP 64 Cb 0.09 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 38.43 1tru h ASP 64 CO 0.00 1.08 -0.82 0.58 -1.03 0.00 0.00 179.24 179.05 1tru h VAL 65 N 0.06 1.39 -0.15 4.15 2.07 -1.58 -2.77 116.25 119.42 1tru h VAL 65 Ca -0.02 -2.28 -0.09 0.00 0.82 0.00 0.00 66.70 65.13 1tru h VAL 65 Cb 1.05 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1tru h VAL 65 CO 0.09 0.68 -0.32 0.00 0.02 0.00 0.00 177.57 178.04 1tru h ALA 66 N 0.86 1.18 0.18 1.67 0.00 -1.46 -0.52 119.26 121.16 1tru h ALA 66 Ca -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1tru h ALA 66 Cb 1.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1tru h ALA 66 CO 0.14 0.54 -0.09 0.77 0.00 0.00 0.00 179.25 180.61 1tru h SER 67 N 0.26 -0.20 -0.57 0.00 0.02 -1.09 -1.60 113.55 110.36 1tru h SER 67 Ca 0.03 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1tru h SER 67 Cb 0.70 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1tru h SER 67 CO 0.05 0.26 0.27 -0.08 -1.14 0.00 0.00 176.83 176.20 1tru h GLU 68 N -0.72 0.86 0.00 3.45 4.81 -1.46 0.02 114.58 121.53 1tru h GLU 68 Ca -0.02 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1tru h GLU 68 Cb 0.50 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1tru h GLU 68 CO 0.04 0.68 0.00 0.00 -0.73 0.00 0.00 179.01 179.00 1tru n ALA 69 N -2.45 2.03 -3.75 2.92 0.00 -0.21 -4.89 120.51 114.16 1tru n ALA 69 Ca 0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1tru n ALA 69 Cb 0.14 -1.34 0.02 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 -1.40 -4.68 -2.79 0.00 1.02 -0.01 -4.88 120.64 107.90 1tru n GLU 70 Ca 0.07 0.58 -0.43 0.00 -0.02 0.00 0.00 57.16 57.37 1tru n GLU 70 Cb 0.21 -5.09 -0.04 0.00 -0.02 0.00 0.00 31.44 26.50 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 -3.70 4.33 -0.06 2.62 1.01 -0.86 -4.82 120.40 118.92 1tru s VAL 71 Ca 0.04 0.49 0.09 0.00 0.00 0.00 0.00 61.98 62.59 1tru s VAL 71 Cb -0.02 -4.56 0.14 0.00 0.00 0.00 0.00 36.38 31.95 1tru s VAL 71 CO 0.83 -1.11 1.07 0.29 0.00 0.00 0.00 175.10 176.18 1tru n LYS 72 N 7.59 2.12 -3.31 2.72 5.02 -1.26 -4.89 118.16 126.15 1tru n LYS 72 Ca 0.04 -2.02 -0.11 0.00 -2.02 0.00 0.00 58.31 54.20 1tru n LYS 72 Cb 0.48 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.19 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 -1.91 -1.05 0.22 7.82 0.00 -1.26 -5.15 121.76 120.42 1tru s ALA 73 Ca 0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 1tru s ALA 73 Cb 0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1tru s ALA 73 CO 0.01 -2.11 0.42 0.95 0.00 0.00 0.00 175.76 175.04 1tru s THR 74 N 1.70 5.17 0.49 0.00 -4.23 -1.26 -4.06 115.64 113.44 1tru s THR 74 Ca 0.16 -0.26 -0.19 0.00 -1.18 0.00 0.00 61.69 60.22 1tru s THR 74 Cb -0.12 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.08 -0.19 1.00 -2.16 -0.54 0.00 0.00 174.62 172.65 1tru s PRO 75 N -3.34 3.89 -0.04 3.99 0.04 -1.26 -5.02 135.00 133.26 1tru s PRO 75 Ca 0.40 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 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 -0.33 0.03 0.99 0.04 0.00 0.00 177.00 178.02 1tru s THR 76 N -2.25 0.05 -0.14 1.26 2.01 -0.74 -3.43 115.64 112.40 1tru s THR 76 Ca 0.63 0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.85 1tru s THR 76 Cb -0.13 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1tru s THR 76 CO 0.23 0.18 0.04 -0.36 -0.69 0.00 0.00 174.62 174.01 1tru s PHE 77 N 1.74 3.23 0.01 4.92 0.08 -1.16 -0.73 117.98 126.07 1tru s PHE 77 Ca -0.00 0.11 0.07 0.00 0.12 0.00 0.00 56.93 57.23 1tru s PHE 77 Cb -0.13 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.35 1tru s PHE 77 CO -0.03 0.29 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.51 1tru s GLN 78 N -0.17 1.68 -0.22 0.44 -0.21 -0.29 -2.42 119.66 118.48 1tru s GLN 78 Ca 0.06 -0.88 -0.07 0.00 0.02 0.00 0.00 55.36 54.50 1tru s GLN 78 Cb -0.12 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 32.15 1tru s GLN 78 CO 0.02 0.45 0.06 -0.06 -2.12 0.00 0.00 175.29 173.64 1tru s PHE 79 N -0.63 3.14 0.16 0.91 0.40 0.04 -0.26 117.98 121.73 1tru s PHE 79 Ca 0.09 -0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 1tru s PHE 79 Cb -0.09 -2.16 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 1tru s PHE 79 CO 0.00 -0.14 -0.18 -0.06 0.70 0.00 0.00 175.22 175.54 1tru s PHE 80 N 1.06 1.76 -0.20 0.36 0.08 0.74 -1.90 117.98 119.88 1tru s PHE 80 Ca 0.04 -0.48 -0.13 0.00 0.12 0.00 0.00 56.93 56.48 1tru s PHE 80 Cb -0.14 -0.89 0.06 0.00 -0.57 0.00 0.00 43.02 41.48 1tru s PHE 80 CO 0.03 0.30 0.51 0.21 -0.10 0.00 0.00 175.22 176.17 1tru s LYS 81 N -2.75 0.52 -0.06 0.44 2.20 -0.52 -2.09 119.74 117.48 1tru s LYS 81 Ca 0.14 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1tru s LYS 81 Cb -0.06 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1tru s LYS 81 CO 0.06 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.54 1tru n LYS 82 N 3.96 -1.97 -0.51 4.03 5.02 -1.25 0.81 118.16 128.25 1tru n LYS 82 Ca -0.20 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1tru n LYS 82 Cb 0.56 -4.09 0.00 0.00 -0.02 0.00 0.00 35.03 31.48 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 0.58 1.27 2.91 0.72 0.00 -1.26 -4.98 105.19 104.43 1tru n GLY 83 Ca -0.01 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.48 1.20 -0.26 1.61 -0.21 0.24 -5.09 119.66 115.67 1tru s GLN 84 Ca 0.00 -0.19 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1tru s GLN 84 Cb 0.00 -1.20 -0.03 0.00 1.00 0.00 0.00 33.01 32.79 1tru s GLN 84 CO 0.00 -0.14 1.83 0.21 -2.12 0.00 0.00 175.29 175.08 1tru s LYS 85 N 1.22 3.46 -0.24 2.91 2.20 -1.26 -1.44 119.74 126.58 1tru s LYS 85 Ca -0.05 1.65 0.11 0.00 -0.36 0.00 0.00 55.97 57.32 1tru s LYS 85 Cb -0.14 -4.18 0.47 0.00 -1.51 0.00 0.00 37.83 32.47 1tru s LYS 85 CO -0.02 -1.71 1.38 1.33 -0.36 0.00 0.00 175.35 175.98 1tru n VAL 86 N 7.13 2.39 0.00 4.02 0.24 -0.80 -4.98 118.33 126.33 1tru n VAL 86 Ca 0.23 -2.66 0.00 0.00 -2.04 0.00 0.00 64.34 59.86 1tru n VAL 86 Cb 0.46 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1tru n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tru n GLY 87 N -1.06 3.42 3.61 7.63 0.00 -1.23 -4.96 105.19 112.59 1tru n GLY 87 Ca 0.27 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 1tru n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tru s GLU 88 N -2.00 0.39 -0.29 1.61 2.12 -1.26 -0.78 118.70 118.49 1tru s GLU 88 Ca 0.00 0.20 -0.18 0.00 0.36 0.00 0.00 54.97 55.34 1tru s GLU 88 Cb 0.00 0.19 0.13 0.00 0.26 0.00 0.00 34.13 34.70 1tru s GLU 88 CO 0.00 -0.10 0.94 -0.59 -0.54 0.00 0.00 175.26 174.97 1tru s PHE 89 N -0.67 -0.63 -0.16 5.30 -0.12 -1.01 -5.00 117.98 115.68 1tru s PHE 89 Ca 0.03 1.32 -0.05 0.00 -0.05 0.00 0.00 56.93 58.17 1tru s PHE 89 Cb -0.02 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 1tru s PHE 89 CO -0.04 -0.31 0.02 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 1.09 5.26 0.00 1.98 1.04 -1.26 -2.99 113.70 118.82 1tru s SER 90 Ca -0.06 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1tru s SER 90 Cb -0.04 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1tru s SER 90 CO -0.13 0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1tru n GLY 91 N 3.40 3.75 2.17 7.32 0.00 -1.22 -4.98 105.19 115.62 1tru n GLY 91 Ca -0.17 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.08 6.95 -3.47 4.61 0.00 -1.26 -4.76 120.51 121.49 1tru n ALA 92 Ca 0.00 -2.70 -0.42 0.00 0.00 0.00 0.00 53.44 50.32 1tru n ALA 92 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 19.45 16.59 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 2.00 6.43 0.45 0.00 3.84 -1.26 -4.88 114.94 121.52 1tru s ASN 93 Ca 0.68 -3.16 0.11 0.00 0.21 0.00 0.00 52.86 50.69 1tru s ASN 93 Cb 0.25 -2.08 1.01 0.00 -0.55 0.00 0.00 41.25 39.89 1tru s ASN 93 CO -0.04 -0.38 2.08 0.07 -2.79 0.00 0.00 177.10 176.04 1tru h LYS 94 N 6.99 0.30 0.00 0.43 -0.00 -1.99 -0.91 116.57 121.39 1tru h LYS 94 Ca 0.11 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.65 60.67 1tru h LYS 94 Cb 0.94 -0.07 -0.01 0.00 -0.00 0.00 0.00 32.23 33.09 1tru h LYS 94 CO 0.83 0.22 -0.31 0.93 -0.00 0.00 0.00 179.45 181.12 1tru h GLU 95 N 0.31 0.00 -0.43 0.07 5.08 -2.00 -2.94 114.58 114.66 1tru h GLU 95 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1tru h GLU 95 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1tru h GLU 95 CO -0.01 0.31 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.90 1tru h LYS 96 N 0.00 0.89 -1.01 2.33 3.64 -1.57 -2.87 116.57 117.99 1tru h LYS 96 Ca -0.00 -0.38 0.24 0.00 -1.27 0.00 0.00 60.65 59.24 1tru h LYS 96 Cb 0.65 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.35 1tru h LYS 96 CO 0.04 1.03 0.65 -0.07 -2.27 0.00 0.00 179.45 178.83 1tru h LEU 97 N 0.72 0.49 0.47 5.20 3.38 -1.48 0.21 115.31 124.30 1tru h LEU 97 Ca 0.10 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1tru h LEU 97 Cb 0.75 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1tru h LEU 97 CO 0.06 0.13 -0.23 -0.08 0.09 0.00 0.00 178.44 178.41 1tru h GLU 98 N 0.45 -0.61 -0.90 1.13 4.57 -1.61 0.24 114.58 117.85 1tru h GLU 98 Ca 0.57 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.92 1tru h GLU 98 Cb 1.36 0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 30.01 1tru h GLU 98 CO -0.29 -0.41 0.58 0.00 -1.18 0.00 0.00 179.01 177.72 1tru h ALA 99 N -1.46 1.74 -0.01 2.92 0.00 -1.41 0.01 119.26 121.05 1tru h ALA 99 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tru h ALA 99 Cb 0.48 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1tru h ALA 99 CO 0.11 0.03 -0.01 1.15 0.00 0.00 0.00 179.25 180.53 1tru h THR 100 N 0.78 1.43 -0.99 0.00 2.02 -0.59 -2.67 112.91 112.89 1tru h THR 100 Ca 0.45 -1.29 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1tru h THR 100 Cb 0.61 2.29 -0.07 0.00 -1.74 0.00 0.00 68.15 69.25 1tru h THR 100 CO -0.21 0.34 0.64 0.40 0.37 0.00 0.00 175.52 177.06 1tru h ILE 101 N -0.52 1.09 0.00 3.11 2.04 0.08 0.49 117.51 123.80 1tru h ILE 101 Ca 0.00 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1tru h ILE 101 Cb 0.56 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1tru h ILE 101 CO 0.00 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.49 0.00 -0.06 1.72 5.15 -0.07 -2.07 115.26 115.44 1tru n ASN 102 Ca 0.15 -0.40 -0.08 0.00 -0.60 0.00 0.00 54.58 53.66 1tru n ASN 102 Cb 0.18 -0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 39.25 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 4.81 0.35 -3.35 114.58 116.98 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tru h GLU 103 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1tru h GLU 103 CO 0.00 0.50 0.00 1.28 -0.73 0.00 0.00 179.01 180.06 1tru n LEU 104 N -4.68 5.29 0.00 1.64 4.77 -1.18 -5.12 117.00 117.72 1tru n LEU 104 Ca -0.07 -2.68 0.06 0.00 -0.03 0.00 0.00 56.01 53.29 1tru n LEU 104 Cb 0.27 -0.65 0.33 0.00 -2.33 0.00 0.00 43.42 41.04 1tru n LEU 104 CO 0.17 0.66 0.55 0.55 -1.33 0.00 0.00 177.39 177.98