#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 0.16 -0.18 3.17 1.01 -1.26 -3.40 120.40 119.90 1tru s VAL 2 Ca 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 61.98 60.59 1tru s VAL 2 Cb 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 35.13 1tru s VAL 2 CO 0.00 -0.73 0.38 -0.75 0.00 0.00 0.00 175.10 174.00 1tru s LYS 3 N -3.73 0.29 -0.15 2.72 2.20 -1.15 -5.02 119.74 114.90 1tru s LYS 3 Ca 0.04 0.93 -0.28 0.00 -0.36 0.00 0.00 55.97 56.30 1tru s LYS 3 Cb 0.05 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1tru s LYS 3 CO -0.10 -0.24 0.97 -1.14 -0.36 0.00 0.00 175.35 174.48 1tru s GLN 4 N 2.36 4.35 -0.31 4.03 0.74 -1.26 -2.86 119.66 126.69 1tru s GLN 4 Ca -0.03 1.29 -0.22 0.00 0.05 0.00 0.00 55.36 56.46 1tru s GLN 4 Cb -0.11 -3.58 -0.00 0.00 1.10 0.00 0.00 33.01 30.42 1tru s GLN 4 CO -0.12 -0.40 0.70 0.42 -0.55 0.00 0.00 175.29 175.34 1tru s ILE 5 N 2.36 4.86 -0.22 -2.34 -1.09 -1.12 -4.91 121.20 118.74 1tru s ILE 5 Ca 0.45 0.97 0.22 0.00 -2.23 0.00 0.00 60.65 60.05 1tru s ILE 5 Cb -0.17 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1tru s ILE 5 CO 0.13 -0.22 1.03 -0.62 -1.23 0.00 0.00 174.94 174.03 1tru n GLU 6 N 6.06 0.61 -3.53 2.79 1.02 -1.26 -4.53 120.64 121.79 1tru n GLU 6 Ca 0.01 0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1tru n GLU 6 Cb 0.48 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 -5.40 -0.48 0.58 1.62 1.04 -1.26 -4.29 113.70 105.51 1tru s SER 7 Ca -0.01 -0.16 0.28 0.00 0.48 0.00 0.00 55.95 56.55 1tru s SER 7 Cb 0.09 0.62 1.53 0.00 0.10 0.00 0.00 66.02 68.36 1tru s SER 7 CO 0.79 -1.05 1.97 0.50 0.98 0.00 0.00 173.24 176.44 1tru h LYS 8 N 2.02 0.00 0.52 4.02 3.64 -1.93 -1.73 116.57 123.12 1tru h LYS 8 Ca -0.31 0.00 -0.02 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 0.35 0.00 -0.34 1.15 -2.27 0.00 0.00 179.45 178.34 1tru h THR 9 N 0.00 0.31 0.00 1.00 2.02 -2.01 -1.53 112.91 112.70 1tru h THR 9 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 1tru h THR 9 Cb 0.94 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1tru h THR 9 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.82 1tru h ALA 10 N -0.42 1.32 -0.21 6.16 0.00 -1.73 -2.68 119.26 121.70 1tru h ALA 10 Ca -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 10 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1tru h ALA 10 CO 0.05 0.09 0.12 0.35 0.00 0.00 0.00 179.25 179.86 1tru h PHE 11 N 0.00 0.28 0.55 0.00 3.57 -0.96 0.13 116.94 120.52 1tru h PHE 11 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.22 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.87 1tru h PHE 11 CO 0.00 0.24 -0.26 1.96 -2.23 0.00 0.00 178.31 178.01 1tru h GLN 12 N 0.25 -0.71 -0.07 1.11 4.20 -1.12 -2.36 115.11 116.40 1tru h GLN 12 Ca 0.08 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1tru h GLN 12 Cb 0.04 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1tru h GLN 12 CO -0.01 -0.42 0.08 0.93 -0.67 0.00 0.00 178.83 178.74 1tru h GLU 13 N -0.89 0.00 -0.30 1.46 3.07 -1.51 -1.20 114.58 115.20 1tru h GLU 13 Ca -0.08 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.63 1tru h GLU 13 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1tru h GLU 13 CO 0.12 0.00 -0.45 0.00 -1.40 0.00 0.00 179.01 177.28 1tru h ALA 14 N 1.90 0.64 -0.28 3.43 0.00 -0.29 -1.44 119.26 123.22 1tru h ALA 14 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1tru h ALA 14 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tru h ALA 14 CO -0.00 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.63 1tru h LEU 15 N 0.62 0.69 -1.33 0.00 3.38 -0.73 -2.53 115.31 115.42 1tru h LEU 15 Ca 0.04 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 1tru h LEU 15 Cb 1.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1tru h LEU 15 CO 0.10 0.99 -0.32 -0.78 0.09 0.00 0.00 178.44 178.51 1tru h ASP 16 N 0.39 0.00 0.01 -0.43 1.82 -1.46 -2.59 116.42 114.16 1tru h ASP 16 Ca 0.05 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.56 1tru h ASP 16 Cb 0.77 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.77 1tru h ASP 16 CO 0.06 0.32 -0.44 0.00 -1.61 0.00 0.00 179.24 177.57 1tru h ALA 17 N 1.68 0.84 -0.12 -0.78 0.00 -1.04 -2.77 119.26 117.06 1tru h ALA 17 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tru h ALA 17 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1tru h ALA 17 CO 0.04 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.89 1tru h ALA 18 N 1.10 1.70 -0.00 0.00 0.00 -1.04 -3.47 119.26 117.54 1tru h ALA 18 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tru h ALA 18 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tru h ALA 18 CO 0.08 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1tru n GLY 19 N -1.15 2.16 0.00 0.00 0.00 -1.05 -2.89 105.19 102.26 1tru n GLY 19 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 6.62 0.54 -4.83 1.61 8.00 -1.26 -4.15 116.55 123.09 1tru n ASP 20 Ca 0.00 -1.25 -0.31 0.00 0.71 0.00 0.00 54.79 53.94 1tru n ASP 20 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tru s LYS 21 N -0.25 2.81 0.90 -1.24 1.02 -1.14 -4.78 119.74 117.06 1tru s LYS 21 Ca 0.00 0.79 -0.10 0.00 0.02 0.00 0.00 55.97 56.68 1tru s LYS 21 Cb 0.00 -1.99 0.14 0.00 -0.52 0.00 0.00 37.83 35.46 1tru s LYS 21 CO 0.00 -1.15 1.13 -0.51 -0.92 0.00 0.00 175.35 173.90 1tru s LEU 22 N -5.53 2.74 -0.34 3.17 1.43 -1.26 -4.58 118.68 114.31 1tru s LEU 22 Ca 0.58 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.76 1tru s LEU 22 Cb -0.13 -4.47 0.15 0.00 0.03 0.00 0.00 46.19 41.77 1tru s LEU 22 CO 0.54 -2.96 0.37 -0.69 0.23 0.00 0.00 176.35 173.84 1tru s VAL 23 N -2.70 -0.42 -0.30 -1.59 1.01 -0.67 -3.28 120.40 112.45 1tru s VAL 23 Ca 0.66 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1tru s VAL 23 Cb -0.22 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1tru s VAL 23 CO 0.58 -0.49 0.33 -0.69 0.00 0.00 0.00 175.10 174.83 1tru s VAL 24 N 1.86 5.20 -0.05 2.92 1.01 -1.06 0.09 120.40 130.37 1tru s VAL 24 Ca 0.14 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1tru s VAL 24 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1tru s VAL 24 CO -0.15 0.09 0.31 -0.69 0.00 0.00 0.00 175.10 174.65 1tru s VAL 25 N 1.98 5.22 -0.26 2.92 1.01 0.50 -2.66 120.40 129.11 1tru s VAL 25 Ca 0.12 0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 1tru s VAL 25 Cb -0.16 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1tru s VAL 25 CO 0.11 0.58 0.00 -0.62 0.00 0.00 0.00 175.10 175.17 1tru s ASP 26 N -0.96 4.65 -0.51 3.32 2.15 -1.13 -1.19 116.67 123.00 1tru s ASP 26 Ca 0.20 -0.70 -0.16 0.00 0.43 0.00 0.00 52.55 52.32 1tru s ASP 26 Cb -0.15 -1.77 0.11 0.00 -0.30 0.00 0.00 42.92 40.81 1tru s ASP 26 CO 0.09 -0.13 0.46 -0.36 -0.17 0.00 0.00 175.17 175.07 1tru s PHE 27 N 1.43 3.24 0.21 -5.34 0.08 0.62 -2.77 117.98 115.45 1tru s PHE 27 Ca 0.02 -1.13 -0.03 0.00 0.12 0.00 0.00 56.93 55.91 1tru s PHE 27 Cb -0.16 -3.54 -0.03 0.00 -0.57 0.00 0.00 43.02 38.71 1tru s PHE 27 CO -0.01 -0.93 0.20 -1.12 -0.10 0.00 0.00 175.22 173.25 1tru s SER 28 N 3.18 0.10 -0.53 1.36 0.01 -1.23 -1.67 113.70 114.92 1tru s SER 28 Ca 0.04 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 55.83 1tru s SER 28 Cb -0.27 0.42 0.10 0.00 0.21 0.00 0.00 66.02 66.47 1tru s SER 28 CO 0.05 -0.90 0.56 0.00 0.41 0.00 0.00 173.24 173.36 1tru s ALA 29 N -4.13 3.51 0.54 1.44 0.00 -1.26 -3.14 121.76 118.72 1tru s ALA 29 Ca 0.36 -2.22 0.24 0.00 0.00 0.00 0.00 51.96 50.34 1tru s ALA 29 Cb 0.05 -3.32 1.42 0.00 0.00 0.00 0.00 23.12 21.28 1tru s ALA 29 CO 0.11 -2.05 2.05 0.00 0.00 0.00 0.00 175.76 175.88 1tru h THR 30 N 5.87 0.74 -0.00 0.00 1.03 -1.95 0.13 112.91 118.72 1tru h THR 30 Ca -0.29 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 65.93 1tru h THR 30 Cb 1.10 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1tru h THR 30 CO 1.01 0.00 -0.81 4.11 -0.01 0.00 0.00 175.52 179.82 1tru h TRP 31 N 0.00 0.12 -3.72 0.00 5.08 -2.02 -3.45 115.95 111.95 1tru h TRP 31 Ca 0.15 -0.06 -0.47 0.00 1.08 0.00 0.00 58.89 59.59 1tru h TRP 31 Cb 0.65 -0.01 0.19 0.00 -3.00 0.00 0.00 29.16 26.99 1tru h TRP 31 CO 0.00 0.85 0.13 0.00 -1.28 0.00 0.00 178.44 178.14 1tru n GLY 33 N 0.11 -0.36 0.34 0.00 0.00 -1.26 -4.06 105.19 99.95 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 -1.16 132.00 130.61 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 -4.62 0.01 0.08 0.00 4.81 -0.54 -2.03 118.16 115.87 1tru n LYS 36 Ca -0.10 0.34 0.09 0.00 -0.87 0.00 0.00 58.31 57.77 1tru n LYS 36 Cb 0.41 -1.53 0.40 0.00 0.02 0.00 0.00 35.03 34.34 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 -1.55 0.11 -0.92 1.64 2.81 -0.61 -2.19 117.12 116.41 1tru n MET 37 Ca 0.02 0.39 -0.07 0.00 -1.81 0.00 0.00 57.70 56.23 1tru n MET 37 Cb 0.12 -1.73 0.26 0.00 -0.71 0.00 0.00 33.22 31.16 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 -1.94 2.66 0.06 2.02 5.41 -0.86 -4.35 119.36 122.36 1tru n ILE 38 Ca 0.02 -1.44 0.03 0.00 1.00 0.00 0.00 62.75 62.36 1tru n ILE 38 Cb 0.17 -0.42 -0.05 0.00 -0.71 0.00 0.00 39.64 38.63 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 2.21 0.00 0.00 0.38 2.10 -1.67 -3.30 116.57 116.29 1tru h LYS 39 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1tru h LYS 39 Cb 2.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.53 1tru h LYS 39 CO 0.69 0.24 0.00 -0.35 -2.00 0.00 0.00 179.45 178.03 1tru n PRO 40 N -2.88 0.51 0.00 0.07 -0.05 -1.26 -2.30 135.00 129.10 1tru n PRO 40 Ca -0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.77 -1.19 -0.00 0.00 -0.05 0.00 0.00 33.50 33.02 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 0.40 0.54 3.72 -1.25 -4.35 117.46 115.83 1tru n PHE 41 Ca 0.05 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 1tru n PHE 41 Cb 0.02 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tru h PHE 42 N -0.02 -0.95 0.00 1.38 3.57 -1.64 -2.19 116.94 117.09 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 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1tru h PHE 42 CO -0.01 -0.59 0.00 1.58 -2.23 0.00 0.00 178.31 177.06 1tru n HIS 43 N -4.81 0.00 0.05 0.41 -0.00 -0.97 -2.10 115.22 107.80 1tru n HIS 43 Ca -0.13 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.01 1tru n HIS 43 Cb 0.40 -0.30 -0.09 0.00 -0.12 0.00 0.00 29.99 29.88 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 0.03 0.26 0.87 -1.29 -3.25 113.55 110.16 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 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1tru h SER 44 CO 0.00 0.82 0.00 0.18 -0.53 0.00 0.00 176.83 177.30 1tru n LEU 45 N -3.16 0.06 -0.26 2.23 4.77 -0.89 -1.95 117.00 117.80 1tru n LEU 45 Ca -0.06 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.49 1tru n LEU 45 Cb 0.91 -0.53 0.27 0.00 -2.33 0.00 0.00 43.42 41.73 1tru n LEU 45 CO 0.44 -0.54 1.24 0.28 -1.33 0.00 0.00 177.39 177.49 1tru h SER 46 N 0.00 0.84 0.95 -1.43 0.02 -1.75 0.44 113.55 112.63 1tru h SER 46 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1tru h SER 46 Cb 0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1tru h SER 46 CO 0.00 0.55 -1.09 -0.33 -1.14 0.00 0.00 176.83 174.83 1tru h GLU 47 N 0.96 0.00 0.00 3.45 4.39 -1.67 -3.36 114.58 118.35 1tru h GLU 47 Ca 0.36 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.00 1tru h GLU 47 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1tru h GLU 47 CO -0.12 0.12 -0.42 -0.22 -1.16 0.00 0.00 179.01 177.20 1tru h LYS 48 N 0.00 0.00 -3.59 2.33 1.63 -1.39 -3.42 116.57 112.14 1tru h LYS 48 Ca -0.06 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 59.03 1tru h LYS 48 Cb 1.22 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.52 1tru h LYS 48 CO 0.02 0.52 -0.24 0.71 -3.45 0.00 0.00 179.45 177.00 1tru s TYR 49 N -2.08 3.52 -1.23 1.91 2.02 0.15 -4.89 117.35 116.73 1tru s TYR 49 Ca -0.16 -2.61 0.18 0.00 -0.37 0.00 0.00 57.07 54.11 1tru s TYR 49 Cb 0.01 -3.33 0.83 0.00 -0.40 0.00 0.00 41.96 39.07 1tru s TYR 49 CO 0.38 -0.86 1.55 -1.13 -1.57 0.00 0.00 175.55 173.92 1tru n SER 50 N 3.44 0.00 -2.24 2.29 3.41 -1.26 -2.88 113.62 116.38 1tru n SER 50 Ca 0.11 0.25 -0.26 0.00 -0.26 0.00 0.00 58.87 58.71 1tru n SER 50 Cb 0.39 -0.38 0.17 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.38 4.34 -4.04 4.04 5.15 -1.26 -4.59 115.26 117.52 1tru n ASN 51 Ca 0.07 -3.64 -0.18 0.00 -0.60 0.00 0.00 54.58 50.22 1tru n ASN 51 Cb 0.17 -0.86 -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 -3.53 0.75 -0.26 3.44 1.01 -1.14 -4.76 120.40 115.91 1tru s VAL 52 Ca 0.58 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1tru s VAL 52 Cb 0.48 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1tru s VAL 52 CO 0.09 0.14 0.25 -0.63 0.00 0.00 0.00 175.10 174.95 1tru s ILE 53 N -0.37 5.27 -0.14 2.22 -1.09 -1.21 -4.07 121.20 121.83 1tru s ILE 53 Ca 0.02 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1tru s ILE 53 Cb -0.04 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1tru s ILE 53 CO -0.00 0.24 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.44 1tru s PHE 54 N 1.69 2.77 0.21 3.97 0.08 -1.22 -2.55 117.98 122.93 1tru s PHE 54 Ca 0.10 -0.85 0.07 0.00 0.12 0.00 0.00 56.93 56.37 1tru s PHE 54 Cb -0.15 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1tru s PHE 54 CO 0.09 -0.34 0.09 -0.51 -0.10 0.00 0.00 175.22 174.45 1tru s LEU 55 N 0.54 3.56 -0.23 -0.37 1.02 -1.09 -2.96 118.68 119.16 1tru s LEU 55 Ca -0.10 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 53.70 1tru s LEU 55 Cb -0.16 -2.15 0.07 0.00 0.02 0.00 0.00 46.19 43.98 1tru s LEU 55 CO 0.04 0.03 0.05 -0.70 0.02 0.00 0.00 176.35 175.79 1tru s GLU 56 N -3.37 0.69 -0.15 1.70 2.12 -1.14 -2.84 118.70 115.72 1tru s GLU 56 Ca 0.31 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.97 1tru s GLU 56 Cb -0.09 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 1tru s GLU 56 CO 0.22 -0.75 0.02 0.08 -0.54 0.00 0.00 175.26 174.29 1tru s VAL 57 N 1.79 4.41 -0.33 3.70 1.01 -1.11 -2.78 120.40 127.09 1tru s VAL 57 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 1tru s VAL 57 Cb -0.17 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1tru s VAL 57 CO -0.14 0.51 0.35 -0.62 0.00 0.00 0.00 175.10 175.20 1tru s ASP 58 N 0.05 6.18 0.00 3.32 2.15 -1.26 -3.48 116.67 123.62 1tru s ASP 58 Ca 0.03 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1tru s ASP 58 Cb -0.13 -2.19 0.11 0.00 -0.30 0.00 0.00 42.92 40.41 1tru s ASP 58 CO 0.02 -0.31 0.39 1.33 -0.17 0.00 0.00 175.17 176.43 1tru n VAL 59 N 5.22 0.00 -0.05 1.11 0.24 -1.19 -1.02 118.33 122.64 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 -0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 1tru n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tru n ASP 60 N -0.67 3.27 0.00 -1.34 9.92 -1.26 -4.38 116.55 122.09 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 -0.13 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 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 0.37 -2.03 -2.24 3.58 -1.82 -3.37 116.42 110.91 1tru h ASP 61 Ca -0.21 -0.85 -0.76 0.00 0.42 0.00 0.00 57.03 55.63 1tru h ASP 61 Cb 1.33 -0.12 -0.29 0.00 1.72 0.00 0.00 39.33 41.97 1tru h ASP 61 CO -0.03 1.65 0.86 0.00 -2.88 0.00 0.00 179.24 178.83 1tru n ALA 62 N -2.99 6.23 0.14 -0.78 0.00 -0.19 -4.72 120.51 118.20 1tru n ALA 62 Ca -0.26 -4.28 0.09 0.00 0.00 0.00 0.00 53.44 48.98 1tru n ALA 62 Cb 0.91 -1.89 0.46 0.00 0.00 0.00 0.00 19.45 18.93 1tru n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tru n GLN 63 N -0.40 0.11 -0.03 0.00 6.02 -1.26 -1.11 117.38 120.71 1tru n GLN 63 Ca 0.50 0.60 -0.17 0.00 -0.01 0.00 0.00 57.00 57.92 1tru n GLN 63 Cb 0.28 -1.94 -0.08 0.00 1.02 0.00 0.00 30.24 29.52 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1tru h ASP 64 N 0.00 0.82 0.87 1.08 2.03 -1.93 -2.41 116.42 116.88 1tru h ASP 64 Ca 0.00 -0.63 -0.13 0.00 -0.73 0.00 0.00 57.03 55.54 1tru h ASP 64 Cb 0.16 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.40 1tru h ASP 64 CO 0.00 1.31 -0.63 0.58 -1.03 0.00 0.00 179.24 179.47 1tru h VAL 65 N 0.38 1.29 -0.10 4.15 2.07 -1.50 -1.85 116.25 120.68 1tru h VAL 65 Ca -0.04 -2.27 -0.02 0.00 0.82 0.00 0.00 66.70 65.18 1tru h VAL 65 Cb 1.28 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1tru h VAL 65 CO 0.14 0.62 -0.02 0.00 0.02 0.00 0.00 177.57 178.32 1tru h ALA 66 N 1.37 0.14 -0.29 1.67 0.00 -1.42 -0.69 119.26 120.04 1tru h ALA 66 Ca -0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1tru h ALA 66 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1tru h ALA 66 CO 0.08 -0.15 -0.43 1.03 0.00 0.00 0.00 179.25 179.79 1tru h SER 67 N -0.12 0.77 -0.02 0.00 0.87 -1.44 -0.15 113.55 113.45 1tru h SER 67 Ca 0.03 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1tru h SER 67 Cb 0.41 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1tru h SER 67 CO 0.01 1.09 0.01 -0.08 -0.53 0.00 0.00 176.83 177.33 1tru h GLU 68 N 0.58 0.03 0.00 2.24 4.22 -1.26 -1.36 114.58 119.02 1tru h GLU 68 Ca 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1tru h GLU 68 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1tru h GLU 68 CO 0.09 0.15 0.00 0.00 -2.18 0.00 0.00 179.01 177.07 1tru n ALA 69 N -2.16 2.32 -3.94 2.92 0.00 -0.27 -4.84 120.51 114.54 1tru n ALA 69 Ca -0.07 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 1tru n ALA 69 Cb 0.09 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.63 -4.53 -2.85 0.00 4.71 -0.51 -4.88 120.64 111.94 1tru n GLU 70 Ca 0.05 0.52 -0.43 0.00 -0.01 0.00 0.00 57.16 57.29 1tru n GLU 70 Cb 0.02 -5.17 -0.04 0.00 -1.01 0.00 0.00 31.44 25.24 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1tru s VAL 71 N -3.50 4.54 -0.07 2.62 1.01 -0.11 -4.83 120.40 120.06 1tru s VAL 71 Ca 0.42 0.78 0.10 0.00 0.00 0.00 0.00 61.98 63.27 1tru s VAL 71 Cb -0.22 -4.38 0.15 0.00 0.00 0.00 0.00 36.38 31.93 1tru s VAL 71 CO 0.86 -0.73 1.04 0.29 0.00 0.00 0.00 175.10 176.55 1tru n LYS 72 N 6.96 1.10 -3.31 2.72 5.02 -1.26 -4.79 118.16 124.60 1tru n LYS 72 Ca 0.05 -1.83 -0.11 0.00 -2.02 0.00 0.00 58.31 54.40 1tru n LYS 72 Cb 0.48 -1.08 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.61 -1.07 0.23 7.82 0.00 -1.26 -5.15 121.76 120.72 1tru s ALA 73 Ca 0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 1tru s ALA 73 Cb 0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1tru s ALA 73 CO 0.02 -2.09 0.45 0.95 0.00 0.00 0.00 175.76 175.08 1tru s THR 74 N 1.74 5.14 0.44 0.00 -4.23 -1.26 -4.04 115.64 113.43 1tru s THR 74 Ca 0.15 -0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.23 1tru s THR 74 Cb -0.12 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 1tru s THR 74 CO -0.09 -0.22 1.00 -2.16 -0.54 0.00 0.00 174.62 172.61 1tru s PRO 75 N -3.40 4.07 -0.02 3.99 0.04 -1.26 -5.02 135.00 133.40 1tru s PRO 75 Ca 0.40 1.30 -0.00 0.00 0.04 0.00 0.00 61.00 62.75 1tru s PRO 75 Cb -0.11 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.20 1tru s PRO 75 CO 0.29 -0.19 0.03 0.99 0.04 0.00 0.00 177.00 178.16 1tru s THR 76 N -1.96 -0.02 -0.14 1.26 2.01 -0.67 -3.38 115.64 112.74 1tru s THR 76 Ca 0.63 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.81 1tru s THR 76 Cb -0.15 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1tru s THR 76 CO 0.19 0.11 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.81 1tru s PHE 77 N 1.15 2.98 0.09 4.92 0.40 -1.16 -0.28 117.98 126.09 1tru s PHE 77 Ca -0.08 -0.31 0.10 0.00 -0.60 0.00 0.00 56.93 56.04 1tru s PHE 77 Cb -0.13 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1tru s PHE 77 CO -0.03 -0.02 -0.26 -0.65 0.70 0.00 0.00 175.22 174.96 1tru s GLN 78 N 0.22 1.63 -0.19 0.44 -0.21 -0.33 -2.19 119.66 119.03 1tru s GLN 78 Ca -0.03 -1.22 -0.05 0.00 0.02 0.00 0.00 55.36 54.08 1tru s GLN 78 Cb -0.14 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 1tru s GLN 78 CO 0.03 0.48 0.01 -0.06 -2.12 0.00 0.00 175.29 173.64 1tru s PHE 79 N -0.94 3.09 0.16 0.91 0.40 0.96 -0.37 117.98 122.19 1tru s PHE 79 Ca 0.13 -0.28 0.08 0.00 -0.60 0.00 0.00 56.93 56.26 1tru s PHE 79 Cb -0.10 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 1tru s PHE 79 CO 0.04 -0.09 -0.17 -0.06 0.70 0.00 0.00 175.22 175.64 1tru s PHE 80 N 0.70 1.75 -0.21 0.36 0.08 0.11 -1.55 117.98 119.22 1tru s PHE 80 Ca 0.00 -0.49 -0.14 0.00 0.12 0.00 0.00 56.93 56.43 1tru s PHE 80 Cb -0.14 -0.88 0.06 0.00 -0.57 0.00 0.00 43.02 41.50 1tru s PHE 80 CO 0.02 0.30 0.54 0.21 -0.10 0.00 0.00 175.22 176.19 1tru s LYS 81 N -2.79 0.56 0.00 0.44 2.20 -0.64 -1.67 119.74 117.84 1tru s LYS 81 Ca 0.15 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 1tru s LYS 81 Cb -0.05 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1tru s LYS 81 CO 0.06 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.55 1tru n LYS 82 N 3.84 -1.95 -0.52 4.03 5.02 -1.26 0.49 118.16 127.81 1tru n LYS 82 Ca -0.19 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1tru n LYS 82 Cb 0.57 -4.04 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 1.51 2.87 0.72 0.00 -1.26 -4.95 105.19 104.68 1tru n GLY 83 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.71 1.04 -0.41 1.61 -0.21 0.18 -5.08 119.66 115.07 1tru s GLN 84 Ca 0.00 -0.12 -0.28 0.00 0.02 0.00 0.00 55.36 54.99 1tru s GLN 84 Cb 0.00 -1.14 -0.03 0.00 1.00 0.00 0.00 33.01 32.85 1tru s GLN 84 CO 0.00 -0.18 1.90 0.21 -2.12 0.00 0.00 175.29 175.09 1tru s LYS 85 N 1.41 3.03 -0.38 2.91 2.20 -1.26 -1.62 119.74 126.02 1tru s LYS 85 Ca -0.03 1.25 0.05 0.00 -0.36 0.00 0.00 55.97 56.89 1tru s LYS 85 Cb -0.13 -4.29 0.45 0.00 -1.51 0.00 0.00 37.83 32.35 1tru s LYS 85 CO -0.03 -2.23 1.34 1.33 -0.36 0.00 0.00 175.35 175.40 1tru n VAL 86 N 7.44 2.72 0.00 4.02 0.24 -0.59 -4.99 118.33 127.16 1tru n VAL 86 Ca 0.24 -4.09 0.00 0.00 -2.04 0.00 0.00 64.34 58.45 1tru n VAL 86 Cb 0.49 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 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 4.08 3.60 7.63 0.00 -1.24 -4.92 105.19 113.62 1tru n GLY 87 Ca 0.47 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.69 0.43 -0.29 1.61 -1.05 -1.26 -0.03 118.70 115.43 1tru s GLU 88 Ca 0.00 0.08 -0.18 0.00 -0.15 0.00 0.00 54.97 54.73 1tru s GLU 88 Cb 0.00 0.20 0.13 0.00 -0.44 0.00 0.00 34.13 34.02 1tru s GLU 88 CO 0.00 -0.14 0.91 -0.59 0.95 0.00 0.00 175.26 176.40 1tru s PHE 89 N -1.18 -0.67 -0.11 4.83 -0.12 -0.93 -5.00 117.98 114.80 1tru s PHE 89 Ca 0.02 1.39 -0.03 0.00 -0.05 0.00 0.00 56.93 58.25 1tru s PHE 89 Cb -0.01 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1tru s PHE 89 CO -0.02 -0.33 0.02 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 1.20 5.37 0.00 1.98 1.04 -1.26 -2.98 113.70 119.04 1tru s SER 90 Ca -0.07 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1tru s SER 90 Cb -0.04 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1tru s SER 90 CO -0.14 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1tru n GLY 91 N 2.51 3.92 2.03 7.32 0.00 -1.22 -4.96 105.19 114.79 1tru n GLY 91 Ca -0.18 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.30 6.48 -3.47 4.61 0.00 -1.26 -4.72 120.51 120.85 1tru n ALA 92 Ca 0.00 -1.98 -0.41 0.00 0.00 0.00 0.00 53.44 51.05 1tru n ALA 92 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 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 1.99 6.70 0.50 0.00 3.84 -1.26 -4.86 114.94 121.85 1tru s ASN 93 Ca 0.67 -3.55 0.15 0.00 0.21 0.00 0.00 52.86 50.33 1tru s ASN 93 Cb 0.31 -2.08 1.20 0.00 -0.55 0.00 0.00 41.25 40.13 1tru s ASN 93 CO -0.01 -0.27 2.13 0.07 -2.79 0.00 0.00 177.10 176.23 1tru h LYS 94 N 6.51 0.07 0.00 0.43 -0.00 -1.98 -0.08 116.57 121.51 1tru h LYS 94 Ca 0.16 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.75 1tru h LYS 94 Cb 0.87 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1tru h LYS 94 CO 0.92 0.06 -0.25 0.93 -0.00 0.00 0.00 179.45 181.10 1tru h GLU 95 N 0.07 0.00 -0.38 0.07 4.39 -1.99 -2.74 114.58 114.00 1tru h GLU 95 Ca 0.02 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1tru h GLU 95 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1tru h GLU 95 CO -0.00 0.25 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.66 1tru h LYS 96 N 0.00 0.74 -0.98 2.33 3.64 -1.41 -2.89 116.57 117.99 1tru h LYS 96 Ca -0.00 -0.29 0.20 0.00 -1.27 0.00 0.00 60.65 59.29 1tru h LYS 96 Cb 0.61 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 1tru h LYS 96 CO 0.03 0.89 0.58 -0.07 -2.27 0.00 0.00 179.45 178.62 1tru h LEU 97 N 0.65 0.72 0.54 5.20 3.38 -1.48 0.17 115.31 124.49 1tru h LEU 97 Ca 0.09 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1tru h LEU 97 Cb 0.71 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1tru h LEU 97 CO 0.05 0.22 -0.26 -0.08 0.09 0.00 0.00 178.44 178.46 1tru h GLU 98 N 0.70 -0.70 -0.89 1.13 4.81 -1.63 0.25 114.58 118.24 1tru h GLU 98 Ca 0.58 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.96 1tru h GLU 98 Cb 0.95 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 1tru h GLU 98 CO -0.41 -0.40 0.53 0.00 -0.73 0.00 0.00 179.01 178.00 1tru h ALA 99 N -0.85 1.29 -0.09 2.92 0.00 -1.39 -0.50 119.26 120.63 1tru h ALA 99 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 99 Cb 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1tru h ALA 99 CO 0.12 0.16 -0.17 1.15 0.00 0.00 0.00 179.25 180.51 1tru h THR 100 N 0.88 1.40 -0.96 0.00 2.02 -0.65 -2.93 112.91 112.67 1tru h THR 100 Ca 0.43 -1.46 0.07 0.00 0.77 0.00 0.00 66.41 66.22 1tru h THR 100 Cb 0.38 2.15 -0.07 0.00 -1.74 0.00 0.00 68.15 68.87 1tru h THR 100 CO -0.25 0.41 0.61 0.40 0.37 0.00 0.00 175.52 177.07 1tru h ILE 101 N -0.19 1.05 0.00 3.11 2.04 -0.04 0.46 117.51 123.94 1tru h ILE 101 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1tru h ILE 101 Cb 0.75 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1tru h ILE 101 CO 0.04 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.19 1tru n ASN 102 N -4.55 0.00 -0.05 1.72 5.15 -0.24 -2.29 115.26 115.00 1tru n ASN 102 Ca 0.15 -0.55 -0.02 0.00 -0.60 0.00 0.00 54.58 53.56 1tru n ASN 102 Cb 0.20 -0.06 -0.01 0.00 -0.53 0.00 0.00 39.78 39.38 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 4.81 0.11 -3.35 114.58 116.65 1tru h GLU 103 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1tru h GLU 103 Cb 0.04 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 1tru h GLU 103 CO 0.00 0.10 0.13 1.28 -0.73 0.00 0.00 179.01 179.79 1tru n LEU 104 N -4.76 5.62 0.00 1.64 4.77 -1.21 -5.13 117.00 117.94 1tru n LEU 104 Ca -0.01 -2.89 0.06 0.00 -0.03 0.00 0.00 56.01 53.13 1tru n LEU 104 Cb 0.06 -0.70 0.34 0.00 -2.33 0.00 0.00 43.42 40.78 1tru n LEU 104 CO 0.04 0.69 0.55 0.55 -1.33 0.00 0.00 177.39 177.89