#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 0.13 -0.24 2.03 1.01 -1.26 -3.62 120.40 118.45 1tru s VAL 2 Ca 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 61.98 60.43 1tru s VAL 2 Cb 0.00 -1.65 0.13 0.00 0.00 0.00 0.00 36.38 34.86 1tru s VAL 2 CO 0.00 -0.60 0.37 -0.75 0.00 0.00 0.00 175.10 174.12 1tru s LYS 3 N -3.94 0.34 -0.09 2.72 2.47 -1.00 -4.99 119.74 115.24 1tru s LYS 3 Ca 0.12 0.53 -0.29 0.00 -1.56 0.00 0.00 55.97 54.77 1tru s LYS 3 Cb 0.06 -0.50 -0.01 0.00 -1.46 0.00 0.00 37.83 35.91 1tru s LYS 3 CO -0.05 -0.63 1.00 -1.14 0.16 0.00 0.00 175.35 174.68 1tru s GLN 4 N 2.53 4.44 -0.49 4.03 0.74 -1.26 -2.64 119.66 127.02 1tru s GLN 4 Ca 0.12 1.38 -0.23 0.00 0.05 0.00 0.00 55.36 56.68 1tru s GLN 4 Cb -0.15 -3.53 0.03 0.00 1.10 0.00 0.00 33.01 30.46 1tru s GLN 4 CO -0.15 -0.28 0.82 0.42 -0.55 0.00 0.00 175.29 175.55 1tru s ILE 5 N 1.87 4.59 -0.54 -2.34 -1.09 -0.91 -4.87 121.20 117.91 1tru s ILE 5 Ca 0.49 0.27 0.24 0.00 -2.23 0.00 0.00 60.65 59.42 1tru s ILE 5 Cb -0.19 -4.39 0.01 0.00 -1.58 0.00 0.00 42.46 36.32 1tru s ILE 5 CO 0.19 -0.85 1.20 -0.33 -1.23 0.00 0.00 174.94 173.92 1tru h GLU 6 N 9.09 0.00 -3.02 2.79 5.08 -1.94 -3.42 114.58 123.15 1tru h GLU 6 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1tru h GLU 6 Cb 1.08 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.23 1tru h GLU 6 CO 1.00 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.67 1tru s SER 7 N -4.46 -0.48 0.60 1.42 1.04 -1.26 -4.49 113.70 106.08 1tru s SER 7 Ca 0.04 -0.16 0.29 0.00 0.48 0.00 0.00 55.95 56.60 1tru s SER 7 Cb 0.13 0.62 1.53 0.00 0.10 0.00 0.00 66.02 68.40 1tru s SER 7 CO 0.75 -1.05 1.93 0.50 0.98 0.00 0.00 173.24 176.35 1tru h LYS 8 N 2.02 0.00 0.67 4.02 3.64 -1.92 -1.62 116.57 123.38 1tru h LYS 8 Ca -0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1tru h LYS 8 Cb 1.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.35 0.00 -0.32 1.15 -2.27 0.00 0.00 179.45 178.36 1tru h THR 9 N 0.00 0.34 0.00 1.00 2.02 -2.00 -2.00 112.91 112.27 1tru h THR 9 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1tru h THR 9 Cb 0.98 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 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 -0.56 1.12 0.87 6.16 0.00 -1.71 -2.89 119.26 122.26 1tru h ALA 10 Ca -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.69 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 10 CO 0.15 0.03 -0.42 0.35 0.00 0.00 0.00 179.25 179.36 1tru h PHE 11 N 0.00 -1.09 -0.05 0.00 3.57 -1.08 0.34 116.94 118.62 1tru h PHE 11 Ca -0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.19 0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1tru h PHE 11 CO 0.00 -0.67 0.02 1.96 -2.23 0.00 0.00 178.31 177.39 1tru h GLN 12 N -1.23 0.08 -0.28 1.11 4.20 -1.42 -2.14 115.11 115.42 1tru h GLN 12 Ca -0.12 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.59 1tru h GLN 12 Cb 0.91 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1tru h GLN 12 CO 0.20 0.21 0.19 0.93 -0.67 0.00 0.00 178.83 179.69 1tru h GLU 13 N -0.07 0.30 -0.36 1.46 5.08 -1.52 -1.42 114.58 118.05 1tru h GLU 13 Ca 0.02 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1tru h GLU 13 Cb 0.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1tru h GLU 13 CO -0.00 0.20 -0.42 0.00 -1.00 0.00 0.00 179.01 177.78 1tru h ALA 14 N 1.83 0.54 -0.28 3.43 0.00 0.08 -0.67 119.26 124.20 1tru h ALA 14 Ca 0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1tru h ALA 14 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1tru h ALA 14 CO -0.02 0.67 -0.25 -0.07 0.00 0.00 0.00 179.25 179.58 1tru h LEU 15 N 0.74 0.70 -0.92 0.00 3.38 -0.72 -1.97 115.31 116.52 1tru h LEU 15 Ca 0.05 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1tru h LEU 15 Cb 1.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1tru h LEU 15 CO 0.10 1.02 -0.33 -0.78 0.09 0.00 0.00 178.44 178.54 1tru h ASP 16 N 0.40 0.40 0.48 -0.43 3.58 -1.28 -2.63 116.42 116.93 1tru h ASP 16 Ca 0.05 -0.15 -0.11 0.00 0.42 0.00 0.00 57.03 57.24 1tru h ASP 16 Cb 0.81 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 1tru h ASP 16 CO 0.06 0.71 -0.50 0.00 -2.88 0.00 0.00 179.24 176.63 1tru h ALA 17 N 1.32 1.15 -0.38 -0.78 0.00 -1.00 -2.81 119.26 116.76 1tru h ALA 17 Ca 0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1tru h ALA 17 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1tru h ALA 17 CO 0.06 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.06 1tru h ALA 18 N 1.48 1.51 0.00 0.00 0.00 -0.97 -3.48 119.26 117.80 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 0.90 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tru h ALA 18 CO 0.07 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1tru n GLY 19 N -1.13 1.67 0.52 0.00 0.00 -1.06 -3.30 105.19 101.89 1tru n GLY 19 Ca 0.02 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 7.73 2.81 -4.82 1.61 9.92 -1.26 -3.63 116.55 128.91 1tru n ASP 20 Ca 0.00 -2.11 -0.30 0.00 -0.53 0.00 0.00 54.79 51.85 1tru n ASP 20 Cb 0.00 -0.21 0.07 0.00 -0.64 0.00 0.00 41.12 40.34 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 -1.19 2.38 0.70 -1.24 1.02 -1.21 -4.81 119.74 115.41 1tru s LYS 21 Ca 0.20 0.64 -0.16 0.00 0.02 0.00 0.00 55.97 56.67 1tru s LYS 21 Cb 0.12 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1tru s LYS 21 CO 0.12 -1.41 1.21 -1.17 -0.92 0.00 0.00 175.35 173.18 1tru s LEU 22 N -5.65 3.38 -0.32 3.17 0.20 -1.26 -4.61 118.68 113.60 1tru s LEU 22 Ca 0.60 2.38 0.00 0.00 0.69 0.00 0.00 54.13 57.79 1tru s LEU 22 Cb -0.14 -4.59 0.14 0.00 -0.43 0.00 0.00 46.19 41.17 1tru s LEU 22 CO 0.54 -2.14 0.28 -0.69 -0.29 0.00 0.00 176.35 174.05 1tru s VAL 23 N -1.89 -0.28 -0.27 1.68 1.01 -1.06 -2.70 120.40 116.89 1tru s VAL 23 Ca 0.75 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1tru s VAL 23 Cb -0.30 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1tru s VAL 23 CO 0.43 -0.59 0.18 -0.69 0.00 0.00 0.00 175.10 174.43 1tru s VAL 24 N 1.95 5.22 -0.08 2.92 1.01 -1.01 -0.30 120.40 130.11 1tru s VAL 24 Ca 0.12 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 1tru s VAL 24 Cb -0.15 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1tru s VAL 24 CO -0.22 0.27 0.26 -0.69 0.00 0.00 0.00 175.10 174.71 1tru s VAL 25 N 1.67 5.30 -0.31 2.92 1.01 0.51 -2.61 120.40 128.89 1tru s VAL 25 Ca 0.07 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.48 1tru s VAL 25 Cb -0.16 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1tru s VAL 25 CO 0.10 0.57 0.05 -0.62 0.00 0.00 0.00 175.10 175.20 1tru s ASP 26 N -0.82 5.05 -0.50 3.32 2.15 -0.82 -1.15 116.67 123.91 1tru s ASP 26 Ca 0.18 -1.09 -0.16 0.00 0.43 0.00 0.00 52.55 51.92 1tru s ASP 26 Cb -0.14 -1.80 0.09 0.00 -0.30 0.00 0.00 42.92 40.77 1tru s ASP 26 CO 0.07 -0.27 0.43 -0.36 -0.17 0.00 0.00 175.17 174.88 1tru s PHE 27 N 1.36 3.24 0.21 -5.34 0.08 -0.16 -2.83 117.98 114.55 1tru s PHE 27 Ca -0.02 -1.05 -0.04 0.00 0.12 0.00 0.00 56.93 55.94 1tru s PHE 27 Cb -0.19 -3.39 -0.03 0.00 -0.57 0.00 0.00 43.02 38.84 1tru s PHE 27 CO 0.01 -0.88 0.22 -1.54 -0.10 0.00 0.00 175.22 172.93 1tru s SER 28 N 2.95 0.11 -0.58 1.36 1.04 -1.22 -1.32 113.70 116.04 1tru s SER 28 Ca 0.04 -1.28 -0.18 0.00 0.48 0.00 0.00 55.95 55.01 1tru s SER 28 Cb -0.26 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.40 1tru s SER 28 CO 0.05 -0.92 0.65 0.00 0.98 0.00 0.00 173.24 174.00 1tru s ALA 29 N -4.11 3.48 0.55 5.32 0.00 -1.26 -3.13 121.76 122.60 1tru s ALA 29 Ca 0.35 -2.31 0.26 0.00 0.00 0.00 0.00 51.96 50.26 1tru s ALA 29 Cb 0.05 -3.46 1.46 0.00 0.00 0.00 0.00 23.12 21.17 1tru s ALA 29 CO 0.11 -2.26 2.02 0.00 0.00 0.00 0.00 175.76 175.63 1tru h THR 30 N 5.92 0.64 -0.02 0.00 1.03 -1.95 0.79 112.91 119.31 1tru h THR 30 Ca -0.30 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.87 1tru h THR 30 Cb 1.09 0.76 0.01 0.00 -1.07 0.00 0.00 68.15 68.94 1tru h THR 30 CO 1.08 0.00 -0.94 4.11 -0.01 0.00 0.00 175.52 179.76 1tru h TRP 31 N 0.00 0.81 -3.11 0.00 5.08 -2.01 -3.45 115.95 113.27 1tru h TRP 31 Ca 0.19 -0.42 -0.47 0.00 1.08 0.00 0.00 58.89 59.27 1tru h TRP 31 Cb 0.84 -0.10 0.22 0.00 -3.00 0.00 0.00 29.16 27.13 1tru h TRP 31 CO 0.00 1.25 -0.41 0.00 -1.28 0.00 0.00 178.44 177.99 1tru n GLY 33 N 1.31 -0.39 0.36 0.00 0.00 -1.26 -3.82 105.19 101.39 1tru n GLY 33 Ca 0.04 0.00 0.16 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 0.01 1.61 0.11 -1.96 0.16 132.00 131.93 1tru h PRO 34 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1tru h PRO 34 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1tru h PRO 34 CO 0.00 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 177.41 1tru h LYS 36 N -0.94 0.00 0.00 0.00 3.64 -1.20 -2.46 116.57 115.61 1tru h LYS 36 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1tru h LYS 36 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1tru h LYS 36 CO -0.04 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.81 1tru n MET 37 N -2.52 0.03 -0.69 1.90 2.81 -0.13 -2.01 117.12 116.52 1tru n MET 37 Ca 0.01 0.34 0.08 0.00 -1.81 0.00 0.00 57.70 56.31 1tru n MET 37 Cb 0.19 -1.58 0.35 0.00 -0.71 0.00 0.00 33.22 31.48 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1tru n ILE 38 N -1.64 2.08 0.06 2.02 5.41 -0.93 -4.35 119.36 122.01 1tru n ILE 38 Ca 0.02 -1.18 -0.01 0.00 1.00 0.00 0.00 62.75 62.59 1tru n ILE 38 Cb 0.14 -0.08 -0.06 0.00 -0.71 0.00 0.00 39.64 38.93 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 3.76 0.00 0.00 0.38 2.10 -1.62 -3.25 116.57 117.94 1tru h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tru h LYS 39 Cb 1.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1tru h LYS 39 CO 0.33 0.46 0.00 -0.35 -2.00 0.00 0.00 179.45 177.88 1tru n PRO 40 N -3.06 0.51 0.00 0.07 -0.05 -1.26 -2.32 135.00 128.89 1tru n PRO 40 Ca -0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.39 1tru n PRO 40 Cb 0.84 -1.19 -0.00 0.00 -0.05 0.00 0.00 33.50 33.11 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 -0.69 0.00 0.48 0.54 3.72 -1.24 -4.34 117.46 115.93 1tru n PHE 41 Ca 0.05 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.26 1tru n PHE 41 Cb 0.02 -0.01 -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 -0.02 -1.13 0.00 1.38 3.04 -1.63 -1.80 116.94 116.78 1tru h PHE 42 Ca 0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1tru h PHE 42 Cb 0.02 0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.90 1tru h PHE 42 CO -0.01 -0.70 0.00 1.58 -2.02 0.00 0.00 178.31 177.16 1tru n HIS 43 N -5.29 0.00 0.07 0.41 -0.00 -0.98 -1.97 115.22 107.46 1tru n HIS 43 Ca -0.15 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.06 1tru n HIS 43 Cb 0.48 -0.26 -0.04 0.00 -0.12 0.00 0.00 29.99 30.04 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 0.02 0.26 0.87 -1.29 -3.31 113.55 110.10 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 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1tru h SER 44 CO 0.00 0.40 0.00 0.18 -0.53 0.00 0.00 176.83 176.88 1tru n LEU 45 N -2.87 0.00 -0.12 2.23 4.77 -0.83 -2.07 117.00 118.11 1tru n LEU 45 Ca -0.06 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.37 1tru n LEU 45 Cb 0.74 -0.38 0.40 0.00 -2.33 0.00 0.00 43.42 41.85 1tru n LEU 45 CO 0.42 -0.37 1.20 0.28 -1.33 0.00 0.00 177.39 177.58 1tru h SER 46 N 0.00 0.56 0.74 -1.43 0.02 -1.77 0.53 113.55 112.20 1tru h SER 46 Ca 0.00 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1tru h SER 46 Cb 0.01 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1tru h SER 46 CO 0.00 0.37 -1.37 -0.33 -1.14 0.00 0.00 176.83 174.35 1tru h GLU 47 N 0.64 0.00 0.00 3.45 5.08 -1.73 -3.35 114.58 118.67 1tru h GLU 47 Ca 0.26 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1tru h GLU 47 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1tru h GLU 47 CO -0.08 0.35 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.66 1tru h LYS 48 N 0.00 0.00 -3.48 2.33 3.64 -1.46 -3.41 116.57 114.18 1tru h LYS 48 Ca -0.16 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.50 1tru h LYS 48 Cb 1.63 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 48 CO 0.05 0.52 -0.12 0.71 -2.27 0.00 0.00 179.45 178.35 1tru s TYR 49 N -2.08 3.74 -1.17 1.91 2.02 0.18 -4.88 117.35 117.08 1tru s TYR 49 Ca -0.15 -2.77 0.18 0.00 -0.37 0.00 0.00 57.07 53.96 1tru s TYR 49 Cb 0.01 -3.35 0.83 0.00 -0.40 0.00 0.00 41.96 39.05 1tru s TYR 49 CO 0.38 -0.82 1.57 -1.13 -1.57 0.00 0.00 175.55 173.98 1tru n SER 50 N 2.95 0.00 -2.22 2.29 3.41 -1.26 -2.95 113.62 115.84 1tru n SER 50 Ca 0.16 0.32 -0.27 0.00 -0.26 0.00 0.00 58.87 58.82 1tru n SER 50 Cb 0.39 -0.42 0.14 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.42 4.99 -4.00 4.04 5.15 -1.26 -4.32 115.26 118.44 1tru n ASN 51 Ca 0.06 -3.61 -0.17 0.00 -0.60 0.00 0.00 54.58 50.26 1tru n ASN 51 Cb 0.18 -0.88 -0.14 0.00 -0.53 0.00 0.00 39.78 38.41 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 -3.65 0.59 -0.33 3.44 1.01 -1.15 -4.70 120.40 115.61 1tru s VAL 52 Ca 0.57 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.03 1tru s VAL 52 Cb 0.47 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 36.32 1tru s VAL 52 CO 0.07 0.13 0.33 -0.63 0.00 0.00 0.00 175.10 174.99 1tru s ILE 53 N -0.27 5.20 -0.15 2.22 -1.09 -1.10 -3.91 121.20 122.10 1tru s ILE 53 Ca 0.02 0.08 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1tru s ILE 53 Cb -0.03 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1tru s ILE 53 CO -0.00 -0.02 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.27 1tru s PHE 54 N 1.96 2.96 -0.10 3.97 0.08 -1.24 -2.39 117.98 123.22 1tru s PHE 54 Ca 0.11 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 1tru s PHE 54 Cb -0.17 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1tru s PHE 54 CO 0.11 -0.13 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.55 1tru s LEU 55 N 0.46 3.32 -0.24 -0.37 1.02 -1.07 -2.38 118.68 119.42 1tru s LEU 55 Ca -0.05 -0.00 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1tru s LEU 55 Cb -0.15 -1.75 0.01 0.00 0.02 0.00 0.00 46.19 44.32 1tru s LEU 55 CO 0.03 0.31 -0.05 -0.70 0.02 0.00 0.00 176.35 175.97 1tru s GLU 56 N -0.50 3.10 -0.10 1.70 2.12 -1.08 -1.95 118.70 121.99 1tru s GLU 56 Ca 0.08 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 54.64 1tru s GLU 56 Cb -0.12 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.27 1tru s GLU 56 CO 0.02 -0.31 -0.24 0.08 -0.54 0.00 0.00 175.26 174.28 1tru s VAL 57 N 1.41 2.02 -0.33 3.70 1.01 -1.13 -2.14 120.40 124.94 1tru s VAL 57 Ca 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1tru s VAL 57 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1tru s VAL 57 CO -0.04 0.55 0.32 -0.62 0.00 0.00 0.00 175.10 175.31 1tru s ASP 58 N 0.36 6.14 0.00 3.32 2.15 -1.26 -3.36 116.67 124.01 1tru s ASP 58 Ca -0.19 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.58 1tru s ASP 58 Cb -0.18 -2.18 0.10 0.00 -0.30 0.00 0.00 42.92 40.37 1tru s ASP 58 CO 0.09 -0.28 0.37 1.33 -0.17 0.00 0.00 175.17 176.51 1tru n VAL 59 N 5.18 0.00 -0.04 1.11 0.24 -1.18 -1.15 118.33 122.49 1tru n VAL 59 Ca -0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 1tru n VAL 59 Cb 0.50 -0.57 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 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 -0.66 3.29 0.03 -1.34 9.92 -1.26 -4.46 116.55 122.07 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 -0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 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 0.48 -2.18 -2.24 3.58 -1.82 -3.37 116.42 110.86 1tru h ASP 61 Ca -0.20 -0.91 -0.76 0.00 0.42 0.00 0.00 57.03 55.58 1tru h ASP 61 Cb 1.33 -0.16 -0.30 0.00 1.72 0.00 0.00 39.33 41.93 1tru h ASP 61 CO -0.02 1.76 0.75 0.00 -2.88 0.00 0.00 179.24 178.84 1tru n ALA 62 N -2.95 5.94 0.23 -0.78 0.00 -0.30 -4.75 120.51 117.90 1tru n ALA 62 Ca -0.27 -4.52 0.15 0.00 0.00 0.00 0.00 53.44 48.79 1tru n ALA 62 Cb 1.01 -1.90 0.80 0.00 0.00 0.00 0.00 19.45 19.35 1tru n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1tru h GLN 63 N 3.76 0.00 -0.17 0.00 7.50 -1.75 -1.04 115.11 123.41 1tru h GLN 63 Ca 0.48 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.45 1tru h GLN 63 Cb 0.31 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.85 1tru h GLN 63 CO 1.17 0.00 -0.61 0.38 -1.50 0.00 0.00 178.83 178.27 1tru h ASP 64 N 0.00 0.83 0.85 1.46 3.04 -1.94 -2.53 116.42 118.13 1tru h ASP 64 Ca 0.00 -0.61 -0.14 0.00 -3.24 0.00 0.00 57.03 53.05 1tru h ASP 64 Cb 0.10 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 38.13 1tru h ASP 64 CO 0.00 1.29 -0.66 0.58 -2.04 0.00 0.00 179.24 178.41 1tru h VAL 65 N 0.41 1.35 -0.37 4.15 2.07 -1.58 -2.95 116.25 119.34 1tru h VAL 65 Ca -0.03 -2.37 -0.10 0.00 0.82 0.00 0.00 66.70 65.01 1tru h VAL 65 Cb 1.24 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 1tru h VAL 65 CO 0.13 0.65 -0.19 0.00 0.02 0.00 0.00 177.57 178.18 1tru h ALA 66 N 1.34 0.98 0.25 1.67 0.00 -1.38 0.13 119.26 122.24 1tru h ALA 66 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1tru h ALA 66 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1tru h ALA 66 CO 0.09 0.60 -0.12 1.03 0.00 0.00 0.00 179.25 180.85 1tru h SER 67 N 0.62 -0.28 -0.48 0.00 0.87 -1.38 -2.13 113.55 110.77 1tru h SER 67 Ca 0.09 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 1tru h SER 67 Cb 0.67 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1tru h SER 67 CO 0.05 0.18 0.22 -0.08 -0.53 0.00 0.00 176.83 176.67 1tru h GLU 68 N -0.83 0.75 0.00 2.24 4.22 -1.53 0.12 114.58 119.55 1tru h GLU 68 Ca -0.03 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1tru h GLU 68 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1tru h GLU 68 CO 0.06 0.61 0.00 0.00 -2.18 0.00 0.00 179.01 177.49 1tru n ALA 69 N -2.46 1.97 -4.17 2.92 0.00 0.44 -4.85 120.51 114.37 1tru n ALA 69 Ca 0.04 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1tru n ALA 69 Cb 0.15 -1.30 -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 -1.91 0.00 0.00 0.00 177.50 175.59 1tru n GLU 70 N -1.33 -3.51 -2.85 0.00 4.07 0.41 -4.87 120.64 112.56 1tru n GLU 70 Ca 0.08 0.41 -0.43 0.00 -0.06 0.00 0.00 57.16 57.16 1tru n GLU 70 Cb 0.16 -5.12 -0.04 0.00 -0.06 0.00 0.00 31.44 26.38 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1tru s VAL 71 N -3.33 4.59 -0.04 6.31 1.01 -1.04 -4.85 120.40 123.04 1tru s VAL 71 Ca 0.68 0.94 0.06 0.00 0.00 0.00 0.00 61.98 63.67 1tru s VAL 71 Cb -0.37 -4.33 0.09 0.00 0.00 0.00 0.00 36.38 31.77 1tru s VAL 71 CO 0.91 -0.61 1.03 0.29 0.00 0.00 0.00 175.10 176.72 1tru n LYS 72 N 6.81 2.30 -3.31 2.72 5.02 -1.26 -4.90 118.16 125.53 1tru n LYS 72 Ca 0.06 -1.79 -0.10 0.00 -2.02 0.00 0.00 58.31 54.45 1tru n LYS 72 Cb 0.48 -1.13 -0.06 0.00 -0.02 0.00 0.00 35.03 34.31 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 -1.53 -1.13 0.23 7.82 0.00 -1.26 -5.15 121.76 120.75 1tru s ALA 73 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1tru s ALA 73 Cb 0.09 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1tru s ALA 73 CO 0.01 -2.01 0.44 0.95 0.00 0.00 0.00 175.76 175.15 1tru s THR 74 N 1.94 5.14 0.48 0.00 -4.23 -1.26 -4.06 115.64 113.65 1tru s THR 74 Ca 0.14 -0.22 -0.19 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 69.90 1tru s THR 74 CO -0.14 -0.22 1.00 -2.16 -0.54 0.00 0.00 174.62 172.56 1tru s PRO 75 N -3.38 3.92 -0.05 3.99 0.04 -1.26 -5.02 135.00 133.25 1tru s PRO 75 Ca 0.40 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 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 0.04 0.99 0.04 0.00 0.00 177.00 178.05 1tru s THR 76 N -2.20 0.06 -0.23 1.26 2.01 -0.43 -3.39 115.64 112.71 1tru s THR 76 Ca 0.64 0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.84 1tru s THR 76 Cb -0.13 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 1tru s THR 76 CO 0.21 0.19 0.12 -0.36 -0.69 0.00 0.00 174.62 174.09 1tru s PHE 77 N 1.91 3.22 0.10 4.92 0.08 -1.14 -0.99 117.98 126.09 1tru s PHE 77 Ca 0.02 0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.15 1tru s PHE 77 Cb -0.12 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1tru s PHE 77 CO -0.03 -0.06 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.29 1tru s GLN 78 N 1.15 2.17 -0.18 0.44 -0.21 -0.30 -2.20 119.66 120.54 1tru s GLN 78 Ca 0.06 -1.00 -0.01 0.00 0.02 0.00 0.00 55.36 54.43 1tru s GLN 78 Cb -0.14 -2.33 -0.00 0.00 1.00 0.00 0.00 33.01 31.54 1tru s GLN 78 CO 0.04 0.51 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.56 1tru s PHE 79 N -1.22 2.86 0.25 0.91 0.40 0.52 -0.36 117.98 121.35 1tru s PHE 79 Ca 0.22 -0.99 0.09 0.00 -0.60 0.00 0.00 56.93 55.65 1tru s PHE 79 Cb -0.11 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 1tru s PHE 79 CO 0.14 -0.49 -0.15 -0.06 0.70 0.00 0.00 175.22 175.36 1tru s PHE 80 N 1.03 2.01 -0.19 0.36 0.08 0.59 -1.39 117.98 120.46 1tru s PHE 80 Ca -0.01 -0.50 -0.10 0.00 0.12 0.00 0.00 56.93 56.44 1tru s PHE 80 Cb -0.15 -0.95 0.07 0.00 -0.57 0.00 0.00 43.02 41.42 1tru s PHE 80 CO -0.02 0.49 0.46 0.21 -0.10 0.00 0.00 175.22 176.27 1tru s LYS 81 N -3.61 0.44 0.00 0.44 2.47 -0.30 -2.55 119.74 116.64 1tru s LYS 81 Ca 0.27 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.59 1tru s LYS 81 Cb -0.01 0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 1tru s LYS 81 CO 0.11 -0.17 0.00 1.63 0.16 0.00 0.00 175.35 177.08 1tru n LYS 82 N 4.45 -1.69 0.00 4.03 5.02 -1.24 0.66 118.16 129.39 1tru n LYS 82 Ca -0.21 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1tru n LYS 82 Cb 0.55 -3.90 0.00 0.00 -0.02 0.00 0.00 35.03 31.65 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 0.39 1.45 3.01 0.72 0.00 -1.26 -4.95 105.19 104.54 1tru n GLY 83 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.42 1.85 -0.43 1.61 1.11 0.21 -5.08 119.66 118.52 1tru s GLN 84 Ca 0.00 -0.43 -0.27 0.00 0.01 0.00 0.00 55.36 54.66 1tru s GLN 84 Cb 0.00 -1.61 -0.03 0.00 -1.01 0.00 0.00 33.01 30.36 1tru s GLN 84 CO 0.00 -0.07 1.92 0.21 0.01 0.00 0.00 175.29 177.37 1tru s LYS 85 N 1.00 2.95 -0.35 2.91 2.20 -1.26 -1.14 119.74 126.05 1tru s LYS 85 Ca -0.08 1.22 0.06 0.00 -0.36 0.00 0.00 55.97 56.82 1tru s LYS 85 Cb -0.15 -4.31 0.47 0.00 -1.51 0.00 0.00 37.83 32.32 1tru s LYS 85 CO -0.01 -2.31 1.40 1.33 -0.36 0.00 0.00 175.35 175.40 1tru n VAL 86 N 7.45 2.69 0.00 4.02 0.24 -0.49 -4.98 118.33 127.26 1tru n VAL 86 Ca 0.24 -3.55 0.00 0.00 -2.04 0.00 0.00 64.34 58.99 1tru n VAL 86 Cb 0.49 -0.86 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 -0.89 3.81 3.61 7.63 0.00 -1.21 -4.93 105.19 113.21 1tru n GLY 87 Ca 0.42 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.32 0.40 -0.29 1.61 2.12 -1.26 -0.35 118.70 118.61 1tru s GLU 88 Ca 0.00 0.21 -0.17 0.00 0.36 0.00 0.00 54.97 55.37 1tru s GLU 88 Cb 0.00 0.19 0.13 0.00 0.26 0.00 0.00 34.13 34.71 1tru s GLU 88 CO 0.00 -0.10 0.91 -0.59 -0.54 0.00 0.00 175.26 174.94 1tru s PHE 89 N -0.64 -0.68 -0.12 5.30 -0.12 -0.93 -5.00 117.98 115.78 1tru s PHE 89 Ca 0.03 1.40 -0.04 0.00 -0.05 0.00 0.00 56.93 58.26 1tru s PHE 89 Cb -0.02 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.04 -0.34 0.04 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 1.28 5.50 0.00 1.98 1.04 -1.26 -2.88 113.70 119.36 1tru s SER 90 Ca -0.08 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1tru s SER 90 Cb -0.04 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1tru s SER 90 CO -0.15 0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1tru n GLY 91 N 2.63 3.87 1.96 7.32 0.00 -1.22 -4.97 105.19 114.79 1tru n GLY 91 Ca -0.18 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.23 6.18 -3.40 4.61 0.00 -1.26 -4.69 120.51 120.71 1tru n ALA 92 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 53.44 51.35 1tru n ALA 92 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.22 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 2.41 5.11 0.20 0.00 4.05 -1.26 -4.86 115.26 120.92 1tru n ASN 93 Ca 0.39 -3.15 0.10 0.00 0.45 0.00 0.00 54.58 52.38 1tru n ASN 93 Cb 0.88 -1.21 0.64 0.00 1.23 0.00 0.00 39.78 41.32 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 6.11 0.02 0.00 1.20 -0.00 -1.97 0.12 116.57 122.04 1tru h LYS 94 Ca 0.18 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.79 1tru h LYS 94 Cb 0.80 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.02 1tru h LYS 94 CO 1.00 0.01 -0.17 0.93 -0.00 0.00 0.00 179.45 181.22 1tru h GLU 95 N 0.02 0.00 -0.28 0.07 5.08 -1.99 -2.25 114.58 115.23 1tru h GLU 95 Ca 0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1tru h GLU 95 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1tru h GLU 95 CO -0.00 0.17 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.67 1tru h LYS 96 N 0.00 0.58 -0.95 2.33 3.64 -1.16 -2.74 116.57 118.27 1tru h LYS 96 Ca -0.00 -0.24 0.21 0.00 -1.27 0.00 0.00 60.65 59.35 1tru h LYS 96 Cb 0.44 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 1tru h LYS 96 CO 0.02 0.80 0.62 -0.07 -2.27 0.00 0.00 179.45 178.55 1tru h LEU 97 N 0.50 0.47 0.62 5.20 3.38 -1.41 0.97 115.31 125.04 1tru h LEU 97 Ca 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1tru h LEU 97 Cb 0.75 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1tru h LEU 97 CO 0.06 0.17 -0.30 -0.08 0.09 0.00 0.00 178.44 178.38 1tru h GLU 98 N 0.46 -0.80 -0.99 1.13 4.81 -1.60 0.30 114.58 117.89 1tru h GLU 98 Ca 0.51 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.90 1tru h GLU 98 Cb 1.20 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.68 1tru h GLU 98 CO -0.23 -0.51 0.63 0.00 -0.73 0.00 0.00 179.01 178.17 1tru h ALA 99 N -1.13 1.52 -0.05 2.92 0.00 -1.43 0.21 119.26 121.30 1tru h ALA 99 Ca -0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 99 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tru h ALA 99 CO 0.14 0.26 -0.10 1.15 0.00 0.00 0.00 179.25 180.70 1tru h THR 100 N 1.01 1.42 -0.86 0.00 2.02 -0.80 -2.92 112.91 112.78 1tru h THR 100 Ca 0.47 -1.39 0.06 0.00 0.77 0.00 0.00 66.41 66.32 1tru h THR 100 Cb 0.42 2.22 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 1tru h THR 100 CO -0.23 0.38 0.56 0.40 0.37 0.00 0.00 175.52 177.00 1tru h ILE 101 N -0.34 1.08 0.00 3.11 2.04 0.13 0.49 117.51 124.01 1tru h ILE 101 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1tru h ILE 101 Cb 0.67 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1tru h ILE 101 CO 0.02 0.18 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1tru n ASN 102 N -4.48 0.00 -0.05 1.72 5.15 0.01 -2.13 115.26 115.49 1tru n ASN 102 Ca 0.12 -0.43 -0.03 0.00 -0.60 0.00 0.00 54.58 53.65 1tru n ASN 102 Cb 0.18 -0.10 -0.02 0.00 -0.53 0.00 0.00 39.78 39.31 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 -0.70 1.20 4.57 0.18 -3.35 114.58 116.47 1tru h GLU 103 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1tru h GLU 103 Cb 0.07 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.58 1tru h GLU 103 CO 0.00 0.18 0.15 1.28 -1.18 0.00 0.00 179.01 179.45 1tru n LEU 104 N -4.74 5.77 0.00 1.64 4.77 -1.21 -5.13 117.00 118.10 1tru n LEU 104 Ca -0.02 -2.97 0.06 0.00 -0.03 0.00 0.00 56.01 53.04 1tru n LEU 104 Cb 0.10 -0.71 0.33 0.00 -2.33 0.00 0.00 43.42 40.80 1tru n LEU 104 CO 0.06 0.71 0.55 0.55 -1.33 0.00 0.00 177.39 177.93