#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 -0.23 1.12 1.01 -1.26 -3.38 120.40 117.81 1tru s VAL 2 Ca 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 1tru s VAL 2 Cb 0.00 -1.59 0.13 0.00 0.00 0.00 0.00 36.38 34.92 1tru s VAL 2 CO 0.00 -0.68 0.38 -0.75 0.00 0.00 0.00 175.10 174.05 1tru s LYS 3 N -3.93 0.34 -0.12 2.72 2.20 -0.85 -4.96 119.74 115.14 1tru s LYS 3 Ca 0.11 0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.01 1tru s LYS 3 Cb 0.06 -0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 35.98 1tru s LYS 3 CO -0.07 -0.59 1.00 -1.14 -0.36 0.00 0.00 175.35 174.19 1tru s GLN 4 N 2.55 4.41 -0.44 4.03 0.74 -1.26 -2.54 119.66 127.14 1tru s GLN 4 Ca 0.11 1.37 -0.23 0.00 0.05 0.00 0.00 55.36 56.66 1tru s GLN 4 Cb -0.15 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.44 1tru s GLN 4 CO -0.15 -0.33 0.76 0.42 -0.55 0.00 0.00 175.29 175.44 1tru s ILE 5 N 2.08 4.68 -0.34 -2.34 -1.09 -1.18 -4.88 121.20 118.14 1tru s ILE 5 Ca 0.48 0.41 0.23 0.00 -2.23 0.00 0.00 60.65 59.54 1tru s ILE 5 Cb -0.18 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.39 1tru s ILE 5 CO 0.17 -0.68 1.08 -0.62 -1.23 0.00 0.00 174.94 173.66 1tru n GLU 6 N 6.63 0.52 -3.59 2.79 1.02 -1.26 -4.59 120.64 122.16 1tru n GLU 6 Ca 0.02 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1tru n GLU 6 Cb 0.48 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1tru s SER 7 N -5.01 -0.43 0.60 1.62 1.04 -1.26 -4.51 113.70 105.75 1tru s SER 7 Ca 0.01 -0.24 0.29 0.00 0.48 0.00 0.00 55.95 56.49 1tru s SER 7 Cb 0.11 0.62 1.57 0.00 0.10 0.00 0.00 66.02 68.42 1tru s SER 7 CO 0.78 -1.07 1.96 0.50 0.98 0.00 0.00 173.24 176.39 1tru h LYS 8 N 2.04 0.00 0.74 4.02 3.64 -1.93 -1.89 116.57 123.20 1tru h LYS 8 Ca -0.29 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1tru h LYS 8 Cb 1.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.34 0.00 -0.36 1.15 -2.27 0.00 0.00 179.45 178.32 1tru h THR 9 N 0.00 0.27 0.00 1.00 2.02 -2.01 -2.12 112.91 112.08 1tru h THR 9 Ca 0.14 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1tru h THR 9 Cb 0.88 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1tru h THR 9 CO -0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 1tru h ALA 10 N -0.73 1.26 0.69 6.16 0.00 -1.76 -2.83 119.26 122.06 1tru h ALA 10 Ca -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1tru h ALA 10 Cb 0.76 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1tru h ALA 10 CO 0.17 0.05 -0.33 0.35 0.00 0.00 0.00 179.25 179.49 1tru h PHE 11 N 0.00 -0.85 -0.05 0.00 3.57 -1.12 0.26 116.94 118.75 1tru h PHE 11 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 11 Cb 0.16 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1tru h PHE 11 CO 0.00 -0.52 0.02 1.96 -2.23 0.00 0.00 178.31 177.54 1tru h GLN 12 N -0.97 0.07 -0.24 1.11 4.20 -1.34 -2.31 115.11 115.63 1tru h GLN 12 Ca -0.09 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1tru h GLN 12 Cb 0.72 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1tru h GLN 12 CO 0.15 0.22 0.16 0.93 -0.67 0.00 0.00 178.83 179.62 1tru h GLU 13 N -0.09 0.23 -0.35 1.46 5.08 -1.49 -1.89 114.58 117.52 1tru h GLU 13 Ca 0.02 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1tru h GLU 13 Cb 0.17 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1tru h GLU 13 CO -0.00 0.15 -0.43 0.00 -1.00 0.00 0.00 179.01 177.73 1tru h ALA 14 N 1.86 0.57 -0.10 3.43 0.00 -0.07 0.16 119.26 125.12 1tru h ALA 14 Ca 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1tru h ALA 14 Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tru h ALA 14 CO -0.02 0.68 -0.07 -0.07 0.00 0.00 0.00 179.25 179.77 1tru h LEU 15 N 0.72 0.23 -1.20 0.00 3.38 -0.83 -1.84 115.31 115.77 1tru h LEU 15 Ca 0.05 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1tru h LEU 15 Cb 1.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1tru h LEU 15 CO 0.10 0.62 -0.38 -0.78 0.09 0.00 0.00 178.44 178.09 1tru h ASP 16 N -0.16 0.04 0.35 -0.43 1.82 -1.40 -2.52 116.42 114.11 1tru h ASP 16 Ca 0.02 -0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.53 1tru h ASP 16 Cb 0.54 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1tru h ASP 16 CO 0.02 0.42 -0.49 0.00 -1.61 0.00 0.00 179.24 177.58 1tru h ALA 17 N 1.58 1.06 -0.53 -0.78 0.00 -0.83 -2.86 119.26 116.90 1tru h ALA 17 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tru h ALA 17 Cb 0.69 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1tru h ALA 17 CO 0.05 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.15 1tru h ALA 18 N 1.36 1.38 0.00 0.00 0.00 -0.87 -3.47 119.26 117.66 1tru h ALA 18 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.92 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 18 CO 0.07 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1tru n GLY 19 N -1.09 1.89 0.48 0.00 0.00 -1.08 -3.19 105.19 102.19 1tru n GLY 19 Ca 0.04 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 8.38 2.54 -4.82 1.61 2.03 -1.26 -3.77 116.55 121.25 1tru n ASP 20 Ca 0.00 -1.88 -0.32 0.00 0.52 0.00 0.00 54.79 53.12 1tru n ASP 20 Cb 0.00 -0.15 0.02 0.00 -0.72 0.00 0.00 41.12 40.27 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1tru s LYS 21 N -0.95 3.29 0.85 -0.67 1.02 -1.19 -4.84 119.74 117.25 1tru s LYS 21 Ca 0.17 1.02 -0.11 0.00 0.02 0.00 0.00 55.97 57.07 1tru s LYS 21 Cb 0.09 -2.04 0.11 0.00 -0.52 0.00 0.00 37.83 35.47 1tru s LYS 21 CO 0.12 -0.82 1.14 -1.17 -0.92 0.00 0.00 175.35 173.71 1tru s LEU 22 N -4.91 2.96 -0.31 3.17 0.20 -1.26 -4.62 118.68 113.90 1tru s LEU 22 Ca 0.60 2.14 0.01 0.00 0.69 0.00 0.00 54.13 57.56 1tru s LEU 22 Cb -0.14 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1tru s LEU 22 CO 0.45 -2.74 0.32 -0.69 -0.29 0.00 0.00 176.35 173.40 1tru s VAL 23 N -2.60 -0.38 -0.29 1.68 1.01 -0.89 -3.10 120.40 115.83 1tru s VAL 23 Ca 0.67 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1tru s VAL 23 Cb -0.23 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1tru s VAL 23 CO 0.55 -0.50 0.21 -0.69 0.00 0.00 0.00 175.10 174.67 1tru s VAL 24 N 2.10 5.30 -0.07 2.92 1.01 -0.99 -0.29 120.40 130.39 1tru s VAL 24 Ca 0.11 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1tru s VAL 24 Cb -0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1tru s VAL 24 CO -0.25 0.20 0.29 -0.69 0.00 0.00 0.00 175.10 174.65 1tru s VAL 25 N 1.77 5.25 -0.28 2.92 1.01 0.63 -2.57 120.40 129.13 1tru s VAL 25 Ca 0.07 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 1tru s VAL 25 Cb -0.16 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1tru s VAL 25 CO 0.11 0.58 0.01 -0.62 0.00 0.00 0.00 175.10 175.17 1tru s ASP 26 N -0.90 4.76 -0.49 3.32 2.15 -0.76 -1.21 116.67 123.54 1tru s ASP 26 Ca 0.19 -0.96 -0.16 0.00 0.43 0.00 0.00 52.55 52.06 1tru s ASP 26 Cb -0.14 -1.75 0.09 0.00 -0.30 0.00 0.00 42.92 40.81 1tru s ASP 26 CO 0.09 -0.20 0.43 -0.36 -0.17 0.00 0.00 175.17 174.96 1tru s PHE 27 N 1.36 3.24 0.21 -5.34 0.08 0.01 -2.92 117.98 114.62 1tru s PHE 27 Ca -0.01 -1.02 -0.04 0.00 0.12 0.00 0.00 56.93 55.99 1tru s PHE 27 Cb -0.18 -3.36 -0.03 0.00 -0.57 0.00 0.00 43.02 38.88 1tru s PHE 27 CO -0.01 -0.87 0.20 -1.12 -0.10 0.00 0.00 175.22 173.32 1tru s SER 28 N 2.89 0.10 -0.56 1.36 0.01 -1.23 -1.53 113.70 114.74 1tru s SER 28 Ca 0.04 -1.28 -0.17 0.00 1.31 0.00 0.00 55.95 55.84 1tru s SER 28 Cb -0.26 0.42 0.11 0.00 0.21 0.00 0.00 66.02 66.50 1tru s SER 28 CO 0.06 -0.90 0.59 0.00 0.41 0.00 0.00 173.24 173.40 1tru s ALA 29 N -4.13 3.52 0.55 1.44 0.00 -1.26 -3.15 121.76 118.73 1tru s ALA 29 Ca 0.35 -2.32 0.25 0.00 0.00 0.00 0.00 51.96 50.24 1tru s ALA 29 Cb 0.05 -3.38 1.46 0.00 0.00 0.00 0.00 23.12 21.26 1tru s ALA 29 CO 0.11 -2.15 2.05 0.00 0.00 0.00 0.00 175.76 175.77 1tru h THR 30 N 5.89 0.67 0.00 0.00 1.03 -1.95 0.20 112.91 118.75 1tru h THR 30 Ca -0.29 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 65.94 1tru h THR 30 Cb 1.09 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 1tru h THR 30 CO 1.05 0.00 -0.78 4.11 -0.01 0.00 0.00 175.52 179.90 1tru h TRP 31 N 0.00 0.00 -3.83 0.00 5.08 -2.02 -3.45 115.95 111.72 1tru h TRP 31 Ca 0.15 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.65 1tru h TRP 31 Cb 0.68 0.00 0.18 0.00 -3.00 0.00 0.00 29.16 27.02 1tru h TRP 31 CO 0.00 0.78 0.17 0.00 -1.28 0.00 0.00 178.44 178.10 1tru n GLY 33 N -0.35 -0.37 0.34 0.00 0.00 -1.26 -3.99 105.19 99.55 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 -0.59 132.00 131.17 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 -0.12 0.00 -0.21 0.00 0.00 178.00 177.67 1tru n LYS 36 N -4.65 0.00 0.08 0.00 4.81 -0.61 -2.04 118.16 115.75 1tru n LYS 36 Ca -0.09 0.33 0.09 0.00 -0.87 0.00 0.00 58.31 57.77 1tru n LYS 36 Cb 0.35 -1.51 0.38 0.00 0.02 0.00 0.00 35.03 34.27 1tru n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1tru n MET 37 N -1.51 0.10 -0.98 1.64 1.56 -0.33 -2.00 117.12 115.60 1tru n MET 37 Ca 0.02 0.41 -0.08 0.00 -0.27 0.00 0.00 57.70 57.78 1tru n MET 37 Cb 0.12 -1.71 0.26 0.00 2.15 0.00 0.00 33.22 34.04 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 -1.90 2.78 0.06 1.12 5.41 -0.87 -4.39 119.36 121.58 1tru n ILE 38 Ca 0.02 -1.53 0.02 0.00 1.00 0.00 0.00 62.75 62.27 1tru n ILE 38 Cb 0.15 -0.41 -0.05 0.00 -0.71 0.00 0.00 39.64 38.62 1tru n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1tru h LYS 39 N 2.23 0.00 0.00 0.38 2.10 -1.64 -3.30 116.57 116.35 1tru h LYS 39 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1tru h LYS 39 Cb 2.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.64 1tru h LYS 39 CO 0.74 0.26 0.00 -0.35 -2.00 0.00 0.00 179.45 178.10 1tru n PRO 40 N -2.90 0.53 0.00 0.07 -0.05 -1.26 -2.50 135.00 128.90 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 0.77 -1.25 0.00 0.00 -0.05 0.00 0.00 33.50 32.97 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 0.43 0.54 3.72 -1.25 -4.36 117.46 115.80 1tru n PHE 41 Ca 0.06 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.30 1tru n PHE 41 Cb 0.03 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 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 0.00 -1.01 0.00 1.38 3.57 -1.66 -1.85 116.94 117.37 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 0.00 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1tru h PHE 42 CO 0.00 -0.63 0.00 1.58 -2.23 0.00 0.00 178.31 177.03 1tru n HIS 43 N -4.93 0.00 0.07 0.41 -0.00 -1.04 -1.88 115.22 107.85 1tru n HIS 43 Ca -0.14 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.07 1tru n HIS 43 Cb 0.43 -0.28 -0.04 0.00 -0.12 0.00 0.00 29.99 29.98 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 -1.24 -3.30 113.55 110.16 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 0.44 0.00 0.18 -0.53 0.00 0.00 176.83 176.92 1tru n LEU 45 N -2.91 0.31 -0.17 2.23 4.77 -0.79 -1.75 117.00 118.69 1tru n LEU 45 Ca -0.05 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 1tru n LEU 45 Cb 0.76 -0.68 0.38 0.00 -2.33 0.00 0.00 43.42 41.55 1tru n LEU 45 CO 0.42 -0.74 1.21 0.28 -1.33 0.00 0.00 177.39 177.23 1tru h SER 46 N 0.00 0.61 0.85 -1.43 0.02 -1.75 0.61 113.55 112.46 1tru h SER 46 Ca 0.00 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1tru h SER 46 Cb 0.01 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1tru h SER 46 CO 0.00 0.39 -1.23 -0.33 -1.14 0.00 0.00 176.83 174.52 1tru h GLU 47 N 0.69 0.00 0.00 3.45 5.08 -1.63 -3.34 114.58 118.83 1tru h GLU 47 Ca 0.32 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1tru h GLU 47 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1tru h GLU 47 CO -0.11 0.24 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.61 1tru h LYS 48 N 0.00 0.00 -3.48 2.33 1.63 -1.30 -3.42 116.57 112.33 1tru h LYS 48 Ca -0.11 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 58.97 1tru h LYS 48 Cb 1.43 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.72 1tru h LYS 48 CO 0.04 0.16 -0.14 0.71 -3.45 0.00 0.00 179.45 176.77 1tru s TYR 49 N -1.95 3.72 -1.34 1.91 2.02 0.20 -4.88 117.35 117.03 1tru s TYR 49 Ca -0.10 -2.77 0.17 0.00 -0.37 0.00 0.00 57.07 54.00 1tru s TYR 49 Cb 0.01 -3.33 0.82 0.00 -0.40 0.00 0.00 41.96 39.06 1tru s TYR 49 CO 0.19 -0.82 1.50 -1.13 -1.57 0.00 0.00 175.55 173.72 1tru n SER 50 N 2.97 0.00 -2.15 2.29 3.41 -1.25 -2.76 113.62 116.14 1tru n SER 50 Ca 0.16 0.14 -0.23 0.00 -0.26 0.00 0.00 58.87 58.67 1tru n SER 50 Cb 0.39 -0.33 0.15 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.33 4.19 -4.06 4.04 5.15 -1.26 -4.35 115.26 117.64 1tru n ASN 51 Ca 0.07 -3.50 -0.18 0.00 -0.60 0.00 0.00 54.58 50.36 1tru n ASN 51 Cb 0.15 -0.84 -0.14 0.00 -0.53 0.00 0.00 39.78 38.42 1tru n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tru s VAL 52 N -3.22 0.79 -0.30 3.44 1.01 -1.11 -4.75 120.40 116.27 1tru s VAL 52 Ca 0.53 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1tru s VAL 52 Cb 0.44 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1tru s VAL 52 CO 0.09 0.10 0.27 -0.63 0.00 0.00 0.00 175.10 174.93 1tru s ILE 53 N -0.48 5.25 -0.16 2.22 -1.09 -1.18 -4.04 121.20 121.72 1tru s ILE 53 Ca 0.02 0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.61 1tru s ILE 53 Cb -0.05 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1tru s ILE 53 CO 0.00 0.12 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.38 1tru s PHE 54 N 1.88 2.88 -0.13 3.97 0.08 -1.22 -2.34 117.98 123.11 1tru s PHE 54 Ca 0.10 -0.72 -0.04 0.00 0.12 0.00 0.00 56.93 56.39 1tru s PHE 54 Cb -0.16 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1tru s PHE 54 CO 0.11 -0.30 0.01 -0.51 -0.10 0.00 0.00 175.22 174.42 1tru s LEU 55 N 0.69 3.57 -0.37 -0.37 1.02 -1.06 -2.01 118.68 120.14 1tru s LEU 55 Ca -0.05 0.07 -0.03 0.00 0.02 0.00 0.00 54.13 54.14 1tru s LEU 55 Cb -0.15 -1.85 0.09 0.00 0.02 0.00 0.00 46.19 44.30 1tru s LEU 55 CO 0.02 0.28 0.14 -0.70 0.02 0.00 0.00 176.35 176.11 1tru s GLU 56 N -0.29 2.19 -0.19 1.70 2.12 -1.05 -1.82 118.70 121.35 1tru s GLU 56 Ca 0.06 -1.60 -0.07 0.00 0.36 0.00 0.00 54.97 53.73 1tru s GLU 56 Cb -0.12 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1tru s GLU 56 CO 0.02 -0.91 0.05 0.08 -0.54 0.00 0.00 175.26 173.96 1tru s VAL 57 N 1.20 4.59 -0.32 3.70 1.01 -1.15 -3.09 120.40 126.34 1tru s VAL 57 Ca 0.04 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1tru s VAL 57 Cb -0.22 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1tru s VAL 57 CO -0.03 0.44 0.43 -0.62 0.00 0.00 0.00 175.10 175.32 1tru s ASP 58 N 0.57 6.26 0.00 3.32 2.15 -1.26 -3.55 116.67 124.16 1tru s ASP 58 Ca 0.02 -0.01 0.02 0.00 0.43 0.00 0.00 52.55 53.02 1tru s ASP 58 Cb -0.13 -2.23 0.11 0.00 -0.30 0.00 0.00 42.92 40.37 1tru s ASP 58 CO 0.01 -0.35 0.39 1.33 -0.17 0.00 0.00 175.17 176.38 1tru n VAL 59 N 5.28 0.00 -0.05 1.11 0.24 -1.19 -0.83 118.33 122.90 1tru n VAL 59 Ca -0.07 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.49 -0.61 -0.04 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 3.04 -0.00 -1.34 9.92 -1.26 -4.37 116.55 121.85 1tru n ASP 60 Ca 0.01 -0.03 -0.22 0.00 -0.53 0.00 0.00 54.79 54.02 1tru n ASP 60 Cb 0.01 -0.16 -0.14 0.00 -0.64 0.00 0.00 41.12 40.19 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 -0.03 0.35 -1.87 -2.24 1.82 -1.84 -3.37 116.42 109.24 1tru h ASP 61 Ca -0.21 -0.84 -0.75 0.00 -0.39 0.00 0.00 57.03 54.84 1tru h ASP 61 Cb 1.31 -0.12 -0.29 0.00 0.68 0.00 0.00 39.33 40.92 1tru h ASP 61 CO -0.04 1.68 0.89 0.00 -1.61 0.00 0.00 179.24 180.15 1tru n ALA 62 N -3.03 6.38 0.08 -0.78 0.00 -0.01 -4.70 120.51 118.46 1tru n ALA 62 Ca -0.28 -4.09 0.05 0.00 0.00 0.00 0.00 53.44 49.13 1tru n ALA 62 Cb 0.92 -1.85 0.26 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.56 0.06 -0.04 0.00 -0.00 -1.26 -1.18 117.38 114.40 1tru n GLN 63 Ca 0.53 0.53 -0.16 0.00 -0.00 0.00 0.00 57.00 57.91 1tru n GLN 63 Cb 0.30 -1.77 -0.07 0.00 -0.00 0.00 0.00 30.24 28.70 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 0.69 0.19 2.61 2.03 -1.93 -0.99 116.42 119.02 1tru h ASP 64 Ca 0.00 -0.60 -0.21 0.00 -0.73 0.00 0.00 57.03 55.49 1tru h ASP 64 Cb 0.12 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.42 1tru h ASP 64 CO 0.00 1.17 -0.81 0.58 -1.03 0.00 0.00 179.24 179.16 1tru h VAL 65 N 0.24 1.36 0.00 4.15 2.07 -1.52 -2.92 116.25 119.63 1tru h VAL 65 Ca -0.02 -2.19 -0.06 0.00 0.82 0.00 0.00 66.70 65.24 1tru h VAL 65 Cb 1.12 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1tru h VAL 65 CO 0.10 0.67 -0.31 0.00 0.02 0.00 0.00 177.57 178.05 1tru h ALA 66 N 0.79 1.32 0.49 1.67 0.00 -1.46 0.13 119.26 122.19 1tru h ALA 66 Ca -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1tru h ALA 66 Cb 1.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1tru h ALA 66 CO 0.15 0.38 -0.24 0.77 0.00 0.00 0.00 179.25 180.31 1tru h SER 67 N 0.00 -0.56 -0.05 0.00 0.02 -1.02 -1.31 113.55 110.63 1tru h SER 67 Ca -0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1tru h SER 67 Cb 0.61 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1tru h SER 67 CO 0.04 -0.16 -0.03 -0.08 -1.14 0.00 0.00 176.83 175.47 1tru h GLU 68 N -1.15 0.20 0.00 3.45 4.22 -1.51 0.63 114.58 120.42 1tru h GLU 68 Ca -0.07 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1tru h GLU 68 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1tru h GLU 68 CO 0.11 0.25 0.00 0.00 -2.18 0.00 0.00 179.01 177.19 1tru h ALA 69 N 1.78 1.00 -5.99 2.92 0.00 -0.97 -3.46 119.26 114.54 1tru h ALA 69 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.55 1tru h ALA 69 Cb 0.19 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.05 1tru h ALA 69 CO 0.01 0.00 -0.76 -1.91 0.00 0.00 0.00 179.25 176.58 1tru n GLU 70 N -2.61 -6.16 -2.82 0.00 4.07 0.21 -4.91 120.64 108.42 1tru n GLU 70 Ca 0.02 0.71 -0.43 0.00 -0.06 0.00 0.00 57.16 57.41 1tru n GLU 70 Cb 0.32 -5.57 -0.04 0.00 -0.06 0.00 0.00 31.44 26.08 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 -3.43 4.41 -0.15 6.31 1.01 -1.04 -4.84 120.40 122.67 1tru s VAL 71 Ca 0.30 0.51 0.16 0.00 0.00 0.00 0.00 61.98 62.95 1tru s VAL 71 Cb -0.14 -4.50 0.30 0.00 0.00 0.00 0.00 36.38 32.03 1tru s VAL 71 CO 0.78 -1.00 1.18 0.29 0.00 0.00 0.00 175.10 176.35 1tru n LYS 72 N 7.38 1.85 -3.29 2.72 5.02 -1.26 -4.87 118.16 125.71 1tru n LYS 72 Ca 0.04 -2.47 -0.11 0.00 -2.02 0.00 0.00 58.31 53.75 1tru n LYS 72 Cb 0.48 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.57 -1.07 0.23 7.82 0.00 -1.26 -5.15 121.76 119.76 1tru s ALA 73 Ca 0.29 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1tru s ALA 73 Cb 0.25 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 1tru s ALA 73 CO 0.04 -2.17 0.44 0.95 0.00 0.00 0.00 175.76 175.02 1tru s THR 74 N 1.49 5.15 0.46 0.00 -4.23 -1.26 -4.05 115.64 113.20 1tru s THR 74 Ca 0.18 -0.24 -0.20 0.00 -1.18 0.00 0.00 61.69 60.25 1tru s THR 74 Cb -0.11 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.04 -0.22 0.99 -2.16 -0.54 0.00 0.00 174.62 172.66 1tru s PRO 75 N -3.39 4.00 -0.04 3.99 0.04 -1.26 -5.03 135.00 133.31 1tru s PRO 75 Ca 0.40 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1tru s PRO 75 Cb -0.11 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1tru s PRO 75 CO 0.29 -0.24 0.03 0.99 0.04 0.00 0.00 177.00 178.11 1tru s THR 76 N -2.12 0.06 -0.24 1.26 2.01 -0.58 -3.50 115.64 112.52 1tru s THR 76 Ca 0.64 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.82 1tru s THR 76 Cb -0.12 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1tru s THR 76 CO 0.18 0.17 0.08 -0.36 -0.69 0.00 0.00 174.62 174.00 1tru s PHE 77 N 1.68 3.13 0.02 4.92 0.08 -1.14 -0.81 117.98 125.86 1tru s PHE 77 Ca -0.01 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.84 1tru s PHE 77 Cb -0.13 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 1tru s PHE 77 CO -0.03 -0.22 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.12 1tru s GLN 78 N 1.32 2.40 -0.20 0.44 -0.21 -0.35 -2.15 119.66 120.91 1tru s GLN 78 Ca 0.05 -0.81 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 1tru s GLN 78 Cb -0.15 -2.40 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 1tru s GLN 78 CO 0.04 0.58 0.02 -0.06 -2.12 0.00 0.00 175.29 173.75 1tru s PHE 79 N -0.98 3.08 0.14 0.91 0.40 0.41 -0.27 117.98 121.67 1tru s PHE 79 Ca 0.16 -0.35 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1tru s PHE 79 Cb -0.11 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 1tru s PHE 79 CO 0.07 -0.18 -0.18 -0.06 0.70 0.00 0.00 175.22 175.57 1tru s PHE 80 N 0.95 1.74 -0.20 0.36 0.08 0.60 -1.87 117.98 119.65 1tru s PHE 80 Ca 0.02 -0.47 -0.15 0.00 0.12 0.00 0.00 56.93 56.45 1tru s PHE 80 Cb -0.14 -0.89 0.06 0.00 -0.57 0.00 0.00 43.02 41.47 1tru s PHE 80 CO 0.02 0.27 0.52 0.21 -0.10 0.00 0.00 175.22 176.14 1tru s LYS 81 N -2.57 0.56 0.00 0.44 2.20 -0.51 -2.10 119.74 117.76 1tru s LYS 81 Ca 0.12 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 1tru s LYS 81 Cb -0.07 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1tru s LYS 81 CO 0.05 -0.11 0.00 1.63 -0.36 0.00 0.00 175.35 176.56 1tru n LYS 82 N 3.53 -1.96 -0.58 4.03 5.02 -1.25 0.79 118.16 127.74 1tru n LYS 82 Ca -0.18 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1tru n LYS 82 Cb 0.56 -4.03 0.00 0.00 -0.02 0.00 0.00 35.03 31.54 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 0.59 1.30 2.90 0.72 0.00 -1.26 -4.98 105.19 104.46 1tru n GLY 83 Ca 0.00 -0.31 -0.22 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 -1.66 1.06 -0.35 1.61 -0.21 0.24 -5.09 119.66 115.25 1tru s GLN 84 Ca 0.00 -0.15 -0.28 0.00 0.02 0.00 0.00 55.36 54.95 1tru s GLN 84 Cb 0.00 -1.06 -0.02 0.00 1.00 0.00 0.00 33.01 32.92 1tru s GLN 84 CO 0.00 -0.11 1.86 0.21 -2.12 0.00 0.00 175.29 175.12 1tru s LYS 85 N 1.12 3.22 -0.27 2.91 2.20 -1.26 -1.43 119.74 126.23 1tru s LYS 85 Ca -0.07 1.41 0.09 0.00 -0.36 0.00 0.00 55.97 57.04 1tru s LYS 85 Cb -0.14 -4.24 0.49 0.00 -1.51 0.00 0.00 37.83 32.42 1tru s LYS 85 CO -0.01 -1.99 1.40 1.33 -0.36 0.00 0.00 175.35 175.72 1tru n VAL 86 N 7.44 2.47 0.00 4.02 0.24 -0.78 -4.99 118.33 126.74 1tru n VAL 86 Ca 0.24 -2.86 0.00 0.00 -2.04 0.00 0.00 64.34 59.67 1tru n VAL 86 Cb 0.47 -0.30 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 -1.12 3.39 3.62 7.63 0.00 -1.23 -4.96 105.19 112.52 1tru n GLY 87 Ca 0.30 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 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 0.36 -0.29 1.61 -6.30 -1.26 -0.44 118.70 110.38 1tru s GLU 88 Ca 0.00 0.19 -0.17 0.00 -2.50 0.00 0.00 54.97 52.49 1tru s GLU 88 Cb 0.00 0.17 0.12 0.00 0.00 0.00 0.00 34.13 34.43 1tru s GLU 88 CO 0.00 -0.09 0.90 -0.59 0.02 0.00 0.00 175.26 175.50 1tru s PHE 89 N -0.63 -0.70 -0.15 5.30 -0.12 -0.91 -4.99 117.98 115.77 1tru s PHE 89 Ca 0.03 1.43 -0.05 0.00 -0.05 0.00 0.00 56.93 58.29 1tru s PHE 89 Cb -0.02 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.05 -0.35 0.02 -1.54 -0.05 0.00 0.00 175.22 173.26 1tru s SER 90 N 1.29 5.35 0.00 1.98 1.04 -1.26 -2.88 113.70 119.21 1tru s SER 90 Ca -0.08 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1tru s SER 90 Cb -0.04 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1tru s SER 90 CO -0.15 0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1tru n GLY 91 N 3.14 3.80 2.11 7.32 0.00 -1.23 -4.98 105.19 115.36 1tru n GLY 91 Ca -0.17 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.15 6.78 -3.47 4.61 0.00 -1.26 -4.74 120.51 121.28 1tru n ALA 92 Ca 0.00 -2.42 -0.41 0.00 0.00 0.00 0.00 53.44 50.61 1tru n ALA 92 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 19.45 16.74 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 2.03 6.60 0.48 0.00 3.04 -1.26 -4.87 114.94 120.95 1tru s ASN 93 Ca 0.68 -3.44 0.13 0.00 0.04 0.00 0.00 52.86 50.27 1tru s ASN 93 Cb 0.27 -2.07 1.12 0.00 -1.54 0.00 0.00 41.25 39.02 1tru s ASN 93 CO -0.02 -0.30 2.10 0.07 -3.04 0.00 0.00 177.10 175.91 1tru h LYS 94 N 6.64 0.17 0.00 0.43 -0.00 -1.98 -0.44 116.57 121.38 1tru h LYS 94 Ca 0.14 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.73 1tru h LYS 94 Cb 0.88 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1tru h LYS 94 CO 0.89 0.13 -0.27 0.93 -0.00 0.00 0.00 179.45 181.14 1tru h GLU 95 N 0.17 0.00 -0.50 0.07 5.08 -1.99 -2.85 114.58 114.56 1tru h GLU 95 Ca 0.05 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1tru h GLU 95 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1tru h GLU 95 CO -0.01 0.27 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.86 1tru h LYS 96 N 0.00 1.01 -1.00 2.33 3.64 -1.48 -2.82 116.57 118.25 1tru h LYS 96 Ca -0.00 -0.42 0.23 0.00 -1.27 0.00 0.00 60.65 59.19 1tru h LYS 96 Cb 0.62 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.30 1tru h LYS 96 CO 0.03 1.10 0.63 -0.07 -2.27 0.00 0.00 179.45 178.88 1tru h LEU 97 N 0.88 0.56 0.61 5.20 3.38 -1.48 0.21 115.31 124.66 1tru h LEU 97 Ca 0.12 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1tru h LEU 97 Cb 0.77 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1tru h LEU 97 CO 0.06 0.15 -0.29 -0.08 0.09 0.00 0.00 178.44 178.37 1tru h GLU 98 N 0.51 -0.78 -0.86 1.13 4.81 -1.61 0.21 114.58 118.00 1tru h GLU 98 Ca 0.58 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.97 1tru h GLU 98 Cb 1.26 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.75 1tru h GLU 98 CO -0.32 -0.52 0.55 0.00 -0.73 0.00 0.00 179.01 177.99 1tru h ALA 99 N -1.36 1.75 -0.05 2.92 0.00 -1.38 -1.12 119.26 120.03 1tru h ALA 99 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 99 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1tru h ALA 99 CO 0.14 0.05 -0.09 1.15 0.00 0.00 0.00 179.25 180.49 1tru h THR 100 N 0.76 1.42 -0.86 0.00 2.02 -0.55 -2.86 112.91 112.83 1tru h THR 100 Ca 0.41 -1.40 0.07 0.00 0.77 0.00 0.00 66.41 66.26 1tru h THR 100 Cb 0.54 2.24 -0.06 0.00 -1.74 0.00 0.00 68.15 69.12 1tru h THR 100 CO -0.17 0.38 0.53 0.40 0.37 0.00 0.00 175.52 177.03 1tru h ILE 101 N -0.36 1.01 0.00 3.11 2.04 -0.01 0.45 117.51 123.75 1tru h ILE 101 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1tru h ILE 101 Cb 0.67 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1tru h ILE 101 CO 0.02 0.17 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1tru n ASN 102 N -4.64 0.00 -0.05 1.72 5.15 -0.47 -2.35 115.26 114.61 1tru n ASN 102 Ca 0.13 -0.68 -0.01 0.00 -0.60 0.00 0.00 54.58 53.42 1tru n ASN 102 Cb 0.20 -0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.44 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 -0.69 1.20 4.81 0.14 -3.36 114.58 116.68 1tru h GLU 103 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1tru h GLU 103 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1tru h GLU 103 CO 0.00 0.07 0.13 1.28 -0.73 0.00 0.00 179.01 179.76 1tru n LEU 104 N -4.76 5.70 0.00 1.64 4.77 -1.21 -5.12 117.00 118.02 1tru n LEU 104 Ca -0.01 -2.93 0.06 0.00 -0.03 0.00 0.00 56.01 53.09 1tru n LEU 104 Cb 0.05 -0.71 0.33 0.00 -2.33 0.00 0.00 43.42 40.76 1tru n LEU 104 CO 0.03 0.69 0.55 0.55 -1.33 0.00 0.00 177.39 177.88