#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 -0.21 2.03 1.01 -1.26 -3.49 120.40 118.60 1tru s VAL 2 Ca 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 61.98 60.47 1tru s VAL 2 Cb 0.00 -1.63 0.11 0.00 0.00 0.00 0.00 36.38 34.86 1tru s VAL 2 CO 0.00 -0.58 0.38 -0.75 0.00 0.00 0.00 175.10 174.16 1tru s LYS 3 N -3.93 0.32 -0.14 2.72 2.47 -0.93 -4.98 119.74 115.26 1tru s LYS 3 Ca 0.12 0.77 -0.29 0.00 -1.56 0.00 0.00 55.97 55.01 1tru s LYS 3 Cb 0.05 -0.10 -0.01 0.00 -1.46 0.00 0.00 37.83 36.32 1tru s LYS 3 CO -0.06 -0.44 1.00 -1.14 0.16 0.00 0.00 175.35 174.87 1tru s GLN 4 N 2.56 4.37 -0.41 4.03 0.74 -1.26 -2.56 119.66 127.13 1tru s GLN 4 Ca 0.05 1.34 -0.23 0.00 0.05 0.00 0.00 55.36 56.58 1tru s GLN 4 Cb -0.14 -3.57 0.02 0.00 1.10 0.00 0.00 33.01 30.42 1tru s GLN 4 CO -0.14 -0.39 0.77 0.42 -0.55 0.00 0.00 175.29 175.40 1tru s ILE 5 N 2.32 4.70 -0.41 -2.34 -1.09 -1.17 -4.89 121.20 118.32 1tru s ILE 5 Ca 0.46 0.64 0.23 0.00 -2.23 0.00 0.00 60.65 59.75 1tru s ILE 5 Cb -0.17 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1tru s ILE 5 CO 0.14 -0.56 1.15 -0.33 -1.23 0.00 0.00 174.94 174.11 1tru h GLU 6 N 8.72 0.00 -3.02 2.79 5.08 -1.94 -3.42 114.58 122.80 1tru h GLU 6 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1tru h GLU 6 Cb 1.09 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 1tru h GLU 6 CO 0.93 0.00 0.19 -1.54 -1.00 0.00 0.00 179.01 177.59 1tru s SER 7 N -4.86 -0.55 0.60 1.42 1.04 -1.26 -4.43 113.70 105.66 1tru s SER 7 Ca 0.02 -0.01 0.29 0.00 0.48 0.00 0.00 55.95 56.73 1tru s SER 7 Cb 0.11 0.59 1.56 0.00 0.10 0.00 0.00 66.02 68.38 1tru s SER 7 CO 0.76 -0.96 1.96 0.50 0.98 0.00 0.00 173.24 176.49 1tru h LYS 8 N 2.04 0.00 0.60 4.02 3.64 -1.92 -1.64 116.57 123.31 1tru h LYS 8 Ca -0.34 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1tru h LYS 8 Cb 1.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1tru h LYS 8 CO 0.39 0.00 -0.29 1.15 -2.27 0.00 0.00 179.45 178.43 1tru h THR 9 N 0.00 0.41 0.00 1.00 2.02 -2.01 -1.89 112.91 112.45 1tru h THR 9 Ca 0.15 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1tru h THR 9 Cb 0.90 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1tru h THR 9 CO -0.00 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.88 1tru h ALA 10 N -0.41 1.04 0.70 6.16 0.00 -1.71 -3.04 119.26 122.01 1tru h ALA 10 Ca -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 10 Cb 0.62 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1tru h ALA 10 CO 0.14 0.01 -0.34 0.35 0.00 0.00 0.00 179.25 179.41 1tru h PHE 11 N 0.00 -0.87 -0.35 0.00 3.57 -1.08 -0.66 116.94 117.55 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 0.18 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1tru h PHE 11 CO 0.00 -0.52 0.22 1.96 -2.23 0.00 0.00 178.31 177.74 1tru h GLN 12 N -1.05 0.47 -0.10 1.11 4.20 -1.42 -1.68 115.11 116.64 1tru h GLN 12 Ca -0.10 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.61 1tru h GLN 12 Cb 0.75 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1tru h GLN 12 CO 0.16 0.34 0.08 0.93 -0.67 0.00 0.00 178.83 179.66 1tru h GLU 13 N 0.46 0.00 -0.29 1.46 5.08 -1.51 -1.85 114.58 117.93 1tru h GLU 13 Ca 0.13 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1tru h GLU 13 Cb -0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1tru h GLU 13 CO -0.03 0.00 -0.38 0.00 -1.00 0.00 0.00 179.01 177.61 1tru h ALA 14 N 1.95 0.44 -0.26 3.43 0.00 -0.17 0.25 119.26 124.89 1tru h ALA 14 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1tru h ALA 14 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1tru h ALA 14 CO -0.00 0.52 -0.10 -0.07 0.00 0.00 0.00 179.25 179.60 1tru h LEU 15 N 0.52 0.54 -0.79 0.00 3.38 -0.98 -0.59 115.31 117.39 1tru h LEU 15 Ca 0.04 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1tru h LEU 15 Cb 0.97 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1tru h LEU 15 CO 0.09 0.82 -0.31 -0.78 0.09 0.00 0.00 178.44 178.34 1tru h ASP 16 N 0.27 0.57 0.28 -0.43 3.58 -1.39 -2.78 116.42 116.52 1tru h ASP 16 Ca 0.06 -0.22 -0.12 0.00 0.42 0.00 0.00 57.03 57.17 1tru h ASP 16 Cb 0.60 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1tru h ASP 16 CO 0.03 0.85 -0.49 0.00 -2.88 0.00 0.00 179.24 176.76 1tru h ALA 17 N 1.18 1.00 0.00 -0.78 0.00 -0.81 -2.73 119.26 117.12 1tru h ALA 17 Ca 0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1tru h ALA 17 Cb 0.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1tru h ALA 17 CO 0.06 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.86 1tru h ALA 18 N 1.30 1.79 -0.00 0.00 0.00 -0.81 -3.47 119.26 118.05 1tru h ALA 18 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tru h ALA 18 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1tru h ALA 18 CO 0.08 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1tru n GLY 19 N -1.22 2.18 0.51 0.00 0.00 -1.03 -3.09 105.19 102.54 1tru n GLY 19 Ca -0.03 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 9.09 2.76 -4.83 1.61 9.92 -1.26 -3.84 116.55 130.00 1tru n ASP 20 Ca 0.00 -2.04 -0.31 0.00 -0.53 0.00 0.00 54.79 51.91 1tru n ASP 20 Cb 0.00 -0.20 0.05 0.00 -0.64 0.00 0.00 41.12 40.33 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 -1.08 2.91 0.93 -1.24 1.02 -1.18 -4.79 119.74 116.32 1tru s LYS 21 Ca 0.19 0.82 -0.11 0.00 0.02 0.00 0.00 55.97 56.90 1tru s LYS 21 Cb 0.10 -2.00 0.15 0.00 -0.52 0.00 0.00 37.83 35.57 1tru s LYS 21 CO 0.12 -1.08 1.11 -1.17 -0.92 0.00 0.00 175.35 173.41 1tru s LEU 22 N -5.50 2.50 -0.34 3.17 0.20 -1.26 -4.55 118.68 112.90 1tru s LEU 22 Ca 0.58 1.96 0.02 0.00 0.69 0.00 0.00 54.13 57.38 1tru s LEU 22 Cb -0.13 -4.32 0.15 0.00 -0.43 0.00 0.00 46.19 41.46 1tru s LEU 22 CO 0.54 -3.06 0.38 -0.69 -0.29 0.00 0.00 176.35 173.23 1tru s VAL 23 N -2.69 -0.45 -0.31 1.68 1.01 -0.84 -3.29 120.40 115.52 1tru s VAL 23 Ca 0.66 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1tru s VAL 23 Cb -0.22 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1tru s VAL 23 CO 0.59 -0.46 0.25 -0.69 0.00 0.00 0.00 175.10 174.78 1tru s VAL 24 N 1.92 5.27 -0.08 2.92 1.01 -1.03 -0.13 120.40 130.27 1tru s VAL 24 Ca 0.13 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1tru s VAL 24 Cb -0.14 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1tru s VAL 24 CO -0.17 0.10 0.29 -0.69 0.00 0.00 0.00 175.10 174.64 1tru s VAL 25 N 1.81 5.25 -0.28 2.92 1.01 0.44 -2.69 120.40 128.86 1tru s VAL 25 Ca 0.08 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1tru s VAL 25 Cb -0.17 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1tru s VAL 25 CO 0.11 0.53 0.04 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.60 4.90 -0.50 3.32 2.15 -0.77 -1.18 116.67 123.98 1tru s ASP 26 Ca 0.19 -0.80 -0.16 0.00 0.43 0.00 0.00 52.55 52.21 1tru s ASP 26 Cb -0.14 -1.81 0.10 0.00 -0.30 0.00 0.00 42.92 40.76 1tru s ASP 26 CO 0.08 -0.18 0.44 -0.36 -0.17 0.00 0.00 175.17 174.97 1tru s PHE 27 N 1.43 3.25 0.20 -5.34 0.08 0.17 -2.79 117.98 114.98 1tru s PHE 27 Ca 0.01 -1.07 -0.03 0.00 0.12 0.00 0.00 56.93 55.96 1tru s PHE 27 Cb -0.17 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 38.83 1tru s PHE 27 CO 0.00 -0.88 0.19 -1.12 -0.10 0.00 0.00 175.22 173.31 1tru s SER 28 N 2.99 0.12 -0.55 1.36 0.01 -1.22 -1.58 113.70 114.83 1tru s SER 28 Ca 0.04 -1.26 -0.18 0.00 1.31 0.00 0.00 55.95 55.86 1tru s SER 28 Cb -0.27 0.41 0.11 0.00 0.21 0.00 0.00 66.02 66.48 1tru s SER 28 CO 0.05 -0.88 0.59 0.00 0.41 0.00 0.00 173.24 173.41 1tru s ALA 29 N -4.11 3.51 0.55 1.44 0.00 -1.26 -3.15 121.76 118.73 1tru s ALA 29 Ca 0.33 -2.28 0.25 0.00 0.00 0.00 0.00 51.96 50.26 1tru s ALA 29 Cb 0.06 -3.38 1.46 0.00 0.00 0.00 0.00 23.12 21.26 1tru s ALA 29 CO 0.10 -2.14 2.04 0.00 0.00 0.00 0.00 175.76 175.76 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 -0.17 0.00 -0.01 0.00 0.00 66.41 65.94 1tru h THR 30 Cb 1.09 0.79 -0.02 0.00 -1.07 0.00 0.00 68.15 68.95 1tru h THR 30 CO 1.05 0.00 -0.79 4.11 -0.01 0.00 0.00 175.52 179.87 1tru h TRP 31 N 0.00 0.09 -3.76 0.00 5.08 -2.02 -3.45 115.95 111.89 1tru h TRP 31 Ca 0.16 -0.05 -0.47 0.00 1.08 0.00 0.00 58.89 59.62 1tru h TRP 31 Cb 0.73 -0.01 0.18 0.00 -3.00 0.00 0.00 29.16 27.06 1tru h TRP 31 CO 0.00 0.83 0.14 0.00 -1.28 0.00 0.00 178.44 178.13 1tru n GLY 33 N -0.08 -0.37 0.34 0.00 0.00 -1.26 -4.03 105.19 99.78 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 0.10 -1.96 -1.24 132.00 130.52 1tru h PRO 34 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 66.07 1tru h PRO 34 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.10 1tru h PRO 34 CO 0.00 0.00 -0.15 0.00 0.10 0.00 0.00 178.00 177.95 1tru n LYS 36 N -4.62 0.02 0.10 0.00 4.81 -0.55 -2.23 118.16 115.69 1tru n LYS 36 Ca -0.11 0.31 0.10 0.00 -0.87 0.00 0.00 58.31 57.74 1tru n LYS 36 Cb 0.42 -1.50 0.43 0.00 0.02 0.00 0.00 35.03 34.40 1tru n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1tru n MET 37 N -1.48 0.13 -0.83 1.64 2.81 -0.68 -1.81 117.12 116.91 1tru n MET 37 Ca 0.03 0.45 0.05 0.00 -1.81 0.00 0.00 57.70 56.42 1tru n MET 37 Cb 0.11 -1.79 0.36 0.00 -0.71 0.00 0.00 33.22 31.20 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1tru n ILE 38 N -2.04 2.52 0.05 2.02 5.41 -0.95 -4.35 119.36 122.03 1tru n ILE 38 Ca 0.01 -1.28 -0.02 0.00 1.00 0.00 0.00 62.75 62.47 1tru n ILE 38 Cb 0.15 -0.31 -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 3.52 0.00 0.00 0.38 2.10 -1.59 -3.19 116.57 117.80 1tru h LYS 39 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1tru h LYS 39 Cb 1.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 1tru h LYS 39 CO 0.47 0.45 0.00 -0.35 -2.00 0.00 0.00 179.45 178.02 1tru n PRO 40 N -3.04 0.57 0.00 0.07 -0.05 -1.26 -2.44 135.00 128.85 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 0.87 -1.27 -0.00 0.00 -0.05 0.00 0.00 33.50 33.05 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 -0.77 0.00 0.45 0.54 3.72 -1.24 -4.35 117.46 115.81 1tru n PHE 41 Ca 0.07 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.30 1tru n PHE 41 Cb 0.03 -0.01 -0.08 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 -0.02 -1.05 0.00 1.38 3.57 -1.65 -1.85 116.94 117.32 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 0.02 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1tru h PHE 42 CO -0.01 -0.66 0.00 1.58 -2.23 0.00 0.00 178.31 177.00 1tru n HIS 43 N -5.07 0.00 0.10 0.41 -0.00 -1.02 -1.80 115.22 107.84 1tru n HIS 43 Ca -0.14 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.12 1tru n HIS 43 Cb 0.45 -0.27 0.00 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 0.01 0.26 0.87 -1.27 -3.30 113.55 110.12 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 0.18 0.00 -0.07 -0.53 0.00 0.00 176.83 176.41 1tru h LEU 45 N 0.00 0.00 -2.36 2.23 3.38 -0.88 -1.27 115.31 116.41 1tru h LEU 45 Ca -0.04 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1tru h LEU 45 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1tru h LEU 45 CO 0.02 0.00 0.12 0.28 0.09 0.00 0.00 178.44 178.95 1tru h SER 46 N 0.00 0.00 0.40 -0.43 0.02 -1.76 0.44 113.55 112.22 1tru h SER 46 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1tru h SER 46 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1tru h SER 46 CO 0.00 0.00 -1.72 -0.33 -1.14 0.00 0.00 176.83 173.64 1tru h GLU 47 N 0.00 0.13 0.00 3.45 5.08 -1.51 -3.36 114.58 118.37 1tru h GLU 47 Ca 0.05 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1tru h GLU 47 Cb 0.29 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1tru h GLU 47 CO -0.00 0.86 -0.60 -0.22 -1.00 0.00 0.00 179.01 178.05 1tru h LYS 48 N 0.04 0.00 -3.52 2.33 3.64 -1.39 -3.41 116.57 114.26 1tru h LYS 48 Ca -0.30 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.35 1tru h LYS 48 Cb 2.01 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 33.50 1tru h LYS 48 CO 0.10 0.97 -0.11 0.71 -2.27 0.00 0.00 179.45 178.85 1tru s TYR 49 N -2.28 3.72 -1.21 1.91 1.51 0.15 -4.87 117.35 116.27 1tru s TYR 49 Ca -0.23 -2.71 0.18 0.00 -1.01 0.00 0.00 57.07 53.30 1tru s TYR 49 Cb 0.01 -3.38 0.84 0.00 -0.11 0.00 0.00 41.96 39.33 1tru s TYR 49 CO 0.63 -0.84 1.57 -1.13 -1.11 0.00 0.00 175.55 174.67 1tru n SER 50 N 3.06 0.00 -2.20 2.29 3.41 -1.26 -2.88 113.62 116.04 1tru n SER 50 Ca 0.15 0.27 -0.25 0.00 -0.26 0.00 0.00 58.87 58.78 1tru n SER 50 Cb 0.39 -0.40 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 1tru n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tru n ASN 51 N -1.40 4.53 -4.06 4.04 5.15 -1.26 -4.24 115.26 118.02 1tru n ASN 51 Ca 0.06 -3.58 -0.19 0.00 -0.60 0.00 0.00 54.58 50.27 1tru n ASN 51 Cb 0.18 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.43 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 -3.47 0.85 -0.30 3.44 1.01 -1.14 -4.73 120.40 116.06 1tru s VAL 52 Ca 0.56 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1tru s VAL 52 Cb 0.47 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1tru s VAL 52 CO 0.08 0.16 0.31 -0.63 0.00 0.00 0.00 175.10 175.03 1tru s ILE 53 N -0.39 5.21 -0.16 2.22 -1.09 -1.21 -3.75 121.20 122.03 1tru s ILE 53 Ca 0.03 0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.71 1tru s ILE 53 Cb -0.05 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1tru s ILE 53 CO -0.00 0.10 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.35 1tru s PHE 54 N 1.96 2.88 -0.12 3.97 0.08 -1.23 -2.46 117.98 123.06 1tru s PHE 54 Ca 0.11 -0.75 -0.03 0.00 0.12 0.00 0.00 56.93 56.39 1tru s PHE 54 Cb -0.16 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1tru s PHE 54 CO 0.11 -0.33 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.37 1tru s LEU 55 N 0.75 3.43 -0.37 -0.37 1.02 -1.10 -2.19 118.68 119.85 1tru s LEU 55 Ca -0.04 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 1tru s LEU 55 Cb -0.15 -1.80 0.08 0.00 0.02 0.00 0.00 46.19 44.34 1tru s LEU 55 CO 0.02 0.28 0.13 -0.70 0.02 0.00 0.00 176.35 176.10 1tru s GLU 56 N -0.31 2.21 -0.17 1.70 2.12 -1.06 -1.84 118.70 121.34 1tru s GLU 56 Ca 0.06 -1.57 -0.06 0.00 0.36 0.00 0.00 54.97 53.75 1tru s GLU 56 Cb -0.12 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1tru s GLU 56 CO 0.02 -0.88 0.04 0.08 -0.54 0.00 0.00 175.26 173.98 1tru s VAL 57 N 1.21 4.62 -0.33 3.70 1.01 -1.12 -3.07 120.40 126.42 1tru s VAL 57 Ca 0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 57 Cb -0.21 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1tru s VAL 57 CO -0.02 0.48 0.35 -0.62 0.00 0.00 0.00 175.10 175.29 1tru s ASP 58 N 0.23 6.18 0.00 3.32 2.15 -1.26 -3.44 116.67 123.84 1tru s ASP 58 Ca 0.03 -0.13 0.02 0.00 0.43 0.00 0.00 52.55 52.89 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 -0.29 0.39 1.33 -0.17 0.00 0.00 175.17 176.44 1tru n VAL 59 N 5.20 0.00 -0.05 1.11 0.24 -1.19 -1.14 118.33 122.51 1tru n VAL 59 Ca -0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 1tru n VAL 59 Cb 0.50 -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 -0.68 3.23 0.03 -1.34 9.92 -1.26 -4.38 116.55 122.07 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 -0.05 -0.14 0.00 -0.64 0.00 0.00 41.12 40.30 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 0.46 -2.06 -2.24 3.58 -1.81 -3.37 116.42 110.97 1tru h ASP 61 Ca -0.22 -0.89 -0.75 0.00 0.42 0.00 0.00 57.03 55.60 1tru h ASP 61 Cb 1.35 -0.15 -0.30 0.00 1.72 0.00 0.00 39.33 41.95 1tru h ASP 61 CO -0.03 1.71 0.71 0.00 -2.88 0.00 0.00 179.24 178.75 1tru n ALA 62 N -2.95 6.05 0.14 -0.78 0.00 -0.29 -4.74 120.51 117.94 1tru n ALA 62 Ca -0.26 -4.37 0.09 0.00 0.00 0.00 0.00 53.44 48.90 1tru n ALA 62 Cb 0.97 -1.79 0.48 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.34 0.11 -0.04 0.00 10.64 -1.26 -1.19 117.38 125.31 1tru n GLN 63 Ca 0.48 0.60 -0.17 0.00 -1.83 0.00 0.00 57.00 56.08 1tru n GLN 63 Cb 0.30 -1.93 -0.07 0.00 -0.86 0.00 0.00 30.24 27.69 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 0.95 0.80 2.61 2.03 -1.94 -2.58 116.42 118.29 1tru h ASP 64 Ca 0.00 -0.61 -0.15 0.00 -0.73 0.00 0.00 57.03 55.55 1tru h ASP 64 Cb 0.11 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.31 1tru h ASP 64 CO 0.00 1.40 -0.69 0.58 -1.03 0.00 0.00 179.24 179.49 1tru h VAL 65 N 0.56 1.43 -0.44 4.15 2.07 -1.54 -2.87 116.25 119.61 1tru h VAL 65 Ca -0.04 -2.43 -0.10 0.00 0.82 0.00 0.00 66.70 64.95 1tru h VAL 65 Cb 1.34 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1tru h VAL 65 CO 0.15 0.68 -0.15 0.00 0.02 0.00 0.00 177.57 178.27 1tru h ALA 66 N 1.31 0.91 0.05 1.67 0.00 -1.43 0.95 119.26 122.72 1tru h ALA 66 Ca -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1tru h ALA 66 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1tru h ALA 66 CO 0.09 0.63 -0.02 1.03 0.00 0.00 0.00 179.25 180.97 1tru h SER 67 N 0.74 -0.05 -0.65 0.00 0.87 -1.40 -0.49 113.55 112.57 1tru h SER 67 Ca 0.12 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1tru h SER 67 Cb 0.65 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1tru h SER 67 CO 0.05 0.42 0.31 -0.08 -0.53 0.00 0.00 176.83 177.00 1tru h GLU 68 N -0.55 0.93 0.00 2.24 4.57 -1.48 -0.74 114.58 119.56 1tru h GLU 68 Ca -0.01 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1tru h GLU 68 Cb 0.49 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1tru h GLU 68 CO 0.01 0.74 0.00 0.00 -1.18 0.00 0.00 179.01 178.58 1tru n ALA 69 N -2.35 2.09 -3.74 2.92 0.00 0.32 -4.88 120.51 114.87 1tru n ALA 69 Ca 0.05 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1tru n ALA 69 Cb 0.12 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -4.73 -2.80 0.00 2.13 -0.28 -4.88 120.64 108.74 1tru n GLU 70 Ca 0.09 0.59 -0.43 0.00 0.66 0.00 0.00 57.16 58.08 1tru n GLU 70 Cb 0.19 -5.11 -0.04 0.00 0.27 0.00 0.00 31.44 26.75 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1tru s VAL 71 N -3.69 4.35 -0.02 6.31 1.01 -0.53 -4.81 120.40 123.02 1tru s VAL 71 Ca 0.03 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1tru s VAL 71 Cb -0.01 -4.55 0.05 0.00 0.00 0.00 0.00 36.38 31.87 1tru s VAL 71 CO 0.82 -1.09 0.98 0.29 0.00 0.00 0.00 175.10 176.10 1tru n LYS 72 N 7.54 2.36 -3.31 2.72 5.02 -1.26 -4.91 118.16 126.32 1tru n LYS 72 Ca 0.04 -1.57 -0.11 0.00 -2.02 0.00 0.00 58.31 54.65 1tru n LYS 72 Cb 0.48 -1.02 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.19 -1.10 0.23 7.82 0.00 -1.26 -5.15 121.76 121.12 1tru s ALA 73 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.59 1tru s ALA 73 Cb 0.05 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1tru s ALA 73 CO 0.00 -2.07 0.44 0.95 0.00 0.00 0.00 175.76 175.09 1tru s THR 74 N 1.80 5.14 0.46 0.00 -4.23 -1.26 -4.05 115.64 113.50 1tru s THR 74 Ca 0.15 -0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 1tru s THR 74 Cb -0.12 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.11 -0.22 1.00 -2.16 -0.54 0.00 0.00 174.62 172.59 1tru s PRO 75 N -3.38 3.99 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.33 1tru s PRO 75 Ca 0.40 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1tru s PRO 75 Cb -0.11 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1tru s PRO 75 CO 0.29 -0.25 0.03 0.99 0.04 0.00 0.00 177.00 178.11 1tru s THR 76 N -2.10 0.02 -0.12 1.26 2.01 -0.61 -3.33 115.64 112.78 1tru s THR 76 Ca 0.65 0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.88 1tru s THR 76 Cb -0.13 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1tru s THR 76 CO 0.17 0.16 0.02 -0.36 -0.69 0.00 0.00 174.62 173.93 1tru s PHE 77 N 1.68 3.21 0.02 4.92 0.40 -1.12 -0.66 117.98 126.44 1tru s PHE 77 Ca -0.01 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.54 1tru s PHE 77 Cb -0.13 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1tru s PHE 77 CO -0.03 0.38 -0.21 -0.65 0.70 0.00 0.00 175.22 175.41 1tru s GLN 78 N -0.50 1.49 -0.22 0.44 -0.21 -0.33 -2.13 119.66 118.20 1tru s GLN 78 Ca 0.09 -0.87 -0.06 0.00 0.02 0.00 0.00 55.36 54.54 1tru s GLN 78 Cb -0.12 -1.54 -0.03 0.00 1.00 0.00 0.00 33.01 32.32 1tru s GLN 78 CO 0.02 0.40 0.03 -0.06 -2.12 0.00 0.00 175.29 173.57 1tru s PHE 79 N -0.69 3.08 0.21 0.91 0.40 0.64 -0.42 117.98 122.11 1tru s PHE 79 Ca 0.08 -0.41 0.10 0.00 -0.60 0.00 0.00 56.93 56.10 1tru s PHE 79 Cb -0.08 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 1tru s PHE 79 CO 0.01 -0.26 -0.19 -0.06 0.70 0.00 0.00 175.22 175.42 1tru s PHE 80 N 1.21 2.01 -0.21 0.36 0.08 0.81 -1.52 117.98 120.71 1tru s PHE 80 Ca 0.04 -0.43 -0.14 0.00 0.12 0.00 0.00 56.93 56.51 1tru s PHE 80 Cb -0.14 -0.95 0.06 0.00 -0.57 0.00 0.00 43.02 41.42 1tru s PHE 80 CO 0.02 0.47 0.53 0.21 -0.10 0.00 0.00 175.22 176.36 1tru s LYS 81 N -3.15 0.56 0.00 0.44 2.20 -0.42 -1.98 119.74 117.40 1tru s LYS 81 Ca 0.22 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1tru s LYS 81 Cb -0.05 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1tru s LYS 81 CO 0.09 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.59 1tru n LYS 82 N 3.76 -1.88 -0.38 4.03 5.02 -1.25 0.70 118.16 128.16 1tru n LYS 82 Ca -0.19 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1tru n LYS 82 Cb 0.57 -3.96 0.00 0.00 -0.02 0.00 0.00 35.03 31.62 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 0.52 1.38 2.93 0.72 0.00 -1.26 -4.94 105.19 104.54 1tru n GLY 83 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.29 1.11 -0.22 1.61 1.11 0.22 -5.09 119.66 117.10 1tru s GLN 84 Ca 0.00 -0.19 -0.29 0.00 0.01 0.00 0.00 55.36 54.89 1tru s GLN 84 Cb 0.00 -1.05 -0.03 0.00 -1.01 0.00 0.00 33.01 30.92 1tru s GLN 84 CO 0.00 -0.07 1.80 0.21 0.01 0.00 0.00 175.29 177.24 1tru s LYS 85 N 0.93 3.59 -0.17 2.91 2.20 -1.26 -1.30 119.74 126.65 1tru s LYS 85 Ca -0.10 1.75 0.17 0.00 -0.36 0.00 0.00 55.97 57.43 1tru s LYS 85 Cb -0.15 -4.15 0.48 0.00 -1.51 0.00 0.00 37.83 32.51 1tru s LYS 85 CO 0.00 -1.55 1.37 1.33 -0.36 0.00 0.00 175.35 176.14 1tru n VAL 86 N 6.83 2.21 0.00 4.02 0.24 -0.58 -4.97 118.33 126.08 1tru n VAL 86 Ca 0.22 -1.98 0.00 0.00 -2.04 0.00 0.00 64.34 60.53 1tru n VAL 86 Cb 0.45 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 -0.72 3.38 3.60 7.63 0.00 -1.21 -4.97 105.19 112.89 1tru n GLY 87 Ca 0.20 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.02 0.42 -0.28 1.61 -1.05 -1.26 -0.26 118.70 115.86 1tru s GLU 88 Ca 0.00 0.11 -0.22 0.00 -0.15 0.00 0.00 54.97 54.71 1tru s GLU 88 Cb 0.00 0.20 0.12 0.00 -0.44 0.00 0.00 34.13 34.00 1tru s GLU 88 CO 0.00 -0.13 0.95 -0.59 0.95 0.00 0.00 175.26 176.44 1tru s PHE 89 N -1.03 -0.58 -0.09 4.83 -0.12 -0.90 -4.99 117.98 115.09 1tru s PHE 89 Ca 0.02 1.33 -0.01 0.00 -0.05 0.00 0.00 56.93 58.22 1tru s PHE 89 Cb -0.01 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1tru s PHE 89 CO -0.02 -0.28 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 0.60 4.89 0.00 1.98 1.04 -1.26 -2.80 113.70 118.15 1tru s SER 90 Ca -0.01 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1tru s SER 90 Cb -0.05 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.67 1tru s SER 90 CO -0.08 0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1tru n GLY 91 N 2.46 3.90 1.91 7.32 0.00 -1.21 -4.96 105.19 114.61 1tru n GLY 91 Ca -0.18 -0.69 -0.10 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 -1.26 5.93 -3.33 4.61 0.00 -1.26 -4.67 120.51 120.53 1tru n ALA 92 Ca 0.00 -1.50 -0.41 0.00 0.00 0.00 0.00 53.44 51.53 1tru n ALA 92 Cb 0.00 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 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 2.32 5.32 0.21 0.00 2.85 -1.26 -4.85 115.26 119.86 1tru n ASN 93 Ca 0.35 -3.20 0.12 0.00 -0.11 0.00 0.00 54.58 51.75 1tru n ASN 93 Cb 0.84 -1.22 0.71 0.00 1.24 0.00 0.00 39.78 41.35 1tru n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1tru h LYS 94 N 5.97 0.00 0.00 1.20 -0.00 -1.98 0.19 116.57 121.94 1tru h LYS 94 Ca 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.80 1tru h LYS 94 Cb 0.77 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.99 1tru h LYS 94 CO 1.05 0.00 -0.16 0.93 -0.00 0.00 0.00 179.45 181.28 1tru h GLU 95 N 0.00 0.00 -0.44 0.07 4.39 -1.99 -2.46 114.58 114.16 1tru h GLU 95 Ca 0.05 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 1tru h GLU 95 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1tru h GLU 95 CO -0.00 0.16 -0.24 -0.22 -1.16 0.00 0.00 179.01 177.55 1tru h LYS 96 N 0.00 0.90 -0.85 2.33 3.64 -1.03 -2.65 116.57 118.91 1tru h LYS 96 Ca -0.00 -0.39 0.23 0.00 -1.27 0.00 0.00 60.65 59.22 1tru h LYS 96 Cb 0.46 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1tru h LYS 96 CO 0.02 1.04 0.60 -0.07 -2.27 0.00 0.00 179.45 178.77 1tru h LEU 97 N 0.77 0.11 0.10 5.20 3.38 -1.45 0.67 115.31 124.10 1tru h LEU 97 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1tru h LEU 97 Cb 0.79 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1tru h LEU 97 CO 0.07 0.04 -0.05 -0.08 0.09 0.00 0.00 178.44 178.51 1tru h GLU 98 N 0.11 -0.13 -0.75 1.13 4.81 -1.57 0.25 114.58 118.43 1tru h GLU 98 Ca 0.42 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.81 1tru h GLU 98 Cb 1.48 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.84 1tru h GLU 98 CO -0.06 -0.09 0.50 0.00 -0.73 0.00 0.00 179.01 178.64 1tru h ALA 99 N -1.88 2.16 0.04 2.92 0.00 -1.54 -0.96 119.26 119.99 1tru h ALA 99 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tru h ALA 99 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1tru h ALA 99 CO 0.02 -0.36 -0.02 1.15 0.00 0.00 0.00 179.25 180.04 1tru h THR 100 N 0.38 1.33 -0.87 0.00 2.02 -0.86 -2.62 112.91 112.27 1tru h THR 100 Ca 0.37 -1.26 0.07 0.00 0.77 0.00 0.00 66.41 66.36 1tru h THR 100 Cb 0.89 2.15 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 1tru h THR 100 CO -0.11 0.31 0.54 0.40 0.37 0.00 0.00 175.52 177.03 1tru h ILE 101 N -0.61 1.03 0.00 3.11 2.04 0.21 0.46 117.51 123.75 1tru h ILE 101 Ca -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1tru h ILE 101 Cb 0.55 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1tru h ILE 101 CO 0.01 0.18 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1tru n ASN 102 N -4.62 0.00 -0.06 1.72 2.85 -0.43 -2.11 115.26 112.61 1tru n ASN 102 Ca 0.13 -0.42 -0.06 0.00 -0.11 0.00 0.00 54.58 54.12 1tru n ASN 102 Cb 0.20 -0.10 -0.05 0.00 1.24 0.00 0.00 39.78 41.06 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 -0.63 1.20 4.57 0.33 -3.35 114.58 116.70 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 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1tru h GLU 103 CO 0.00 0.37 0.00 1.28 -1.18 0.00 0.00 179.01 179.48 1tru n LEU 104 N -4.70 5.18 0.00 1.64 4.77 -1.18 -5.12 117.00 117.60 1tru n LEU 104 Ca -0.05 -2.63 0.05 0.00 -0.03 0.00 0.00 56.01 53.35 1tru n LEU 104 Cb 0.21 -0.65 0.33 0.00 -2.33 0.00 0.00 43.42 40.97 1tru n LEU 104 CO 0.13 0.62 0.55 0.55 -1.33 0.00 0.00 177.39 177.90