#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 -0.22 3.17 1.01 -1.26 -3.28 120.40 119.97 1tru s VAL 2 Ca 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 1tru s VAL 2 Cb 0.00 -1.50 0.11 0.00 0.00 0.00 0.00 36.38 34.99 1tru s VAL 2 CO 0.00 -0.69 0.38 -0.75 0.00 0.00 0.00 175.10 174.05 1tru s LYS 3 N -3.90 0.33 -0.15 2.72 2.20 -1.02 -4.98 119.74 114.94 1tru s LYS 3 Ca 0.08 0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 56.14 1tru s LYS 3 Cb 0.06 -0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.21 1tru s LYS 3 CO -0.08 -0.48 0.99 -1.14 -0.36 0.00 0.00 175.35 174.28 1tru s GLN 4 N 2.56 4.36 -0.45 4.03 0.74 -1.26 -2.73 119.66 126.92 1tru s GLN 4 Ca 0.07 1.33 -0.23 0.00 0.05 0.00 0.00 55.36 56.58 1tru s GLN 4 Cb -0.14 -3.57 0.03 0.00 1.10 0.00 0.00 33.01 30.42 1tru s GLN 4 CO -0.14 -0.40 0.78 0.42 -0.55 0.00 0.00 175.29 175.40 1tru s ILE 5 N 2.33 4.65 -0.31 -2.34 -1.09 -1.18 -4.88 121.20 118.38 1tru s ILE 5 Ca 0.46 0.42 0.23 0.00 -2.23 0.00 0.00 60.65 59.52 1tru s ILE 5 Cb -0.17 -4.32 0.02 0.00 -1.58 0.00 0.00 42.46 36.41 1tru s ILE 5 CO 0.14 -0.71 1.11 -0.33 -1.23 0.00 0.00 174.94 173.91 1tru h GLU 6 N 8.97 0.00 -3.03 2.79 5.08 -1.94 -3.42 114.58 123.04 1tru h GLU 6 Ca -0.25 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1tru h GLU 6 Cb 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1tru h GLU 6 CO 0.96 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.63 1tru s SER 7 N -5.20 -0.45 0.60 1.42 1.04 -1.26 -4.43 113.70 105.41 1tru s SER 7 Ca 0.01 -0.22 0.29 0.00 0.48 0.00 0.00 55.95 56.51 1tru s SER 7 Cb 0.10 0.64 1.53 0.00 0.10 0.00 0.00 66.02 68.39 1tru s SER 7 CO 0.78 -1.09 1.94 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 -1.93 -1.75 116.57 123.24 1tru h LYS 8 Ca -0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1tru h LYS 8 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.34 0.00 -0.35 1.15 -2.27 0.00 0.00 179.45 178.31 1tru h THR 9 N 0.00 0.28 0.00 1.00 2.02 -2.01 -2.00 112.91 112.20 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 0.97 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1tru h THR 9 CO -0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.63 1.29 0.40 6.16 0.00 -1.73 -2.89 119.26 121.85 1tru h ALA 10 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tru h ALA 10 CO 0.13 0.07 -0.19 0.35 0.00 0.00 0.00 179.25 179.61 1tru h PHE 11 N 0.00 -0.50 0.46 0.00 3.57 -1.07 0.42 116.94 119.82 1tru h PHE 11 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.20 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1tru h PHE 11 CO 0.00 -0.29 -0.22 1.96 -2.23 0.00 0.00 178.31 177.53 1tru h GLN 12 N -0.58 -0.59 -0.07 1.11 4.20 -1.30 -2.33 115.11 115.55 1tru h GLN 12 Ca -0.06 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1tru h GLN 12 Cb 0.44 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1tru h GLN 12 CO 0.09 -0.31 0.06 0.93 -0.67 0.00 0.00 178.83 178.93 1tru h GLU 13 N -0.81 0.00 -0.35 1.46 5.08 -1.54 -1.69 114.58 116.73 1tru h GLU 13 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1tru h GLU 13 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1tru h GLU 13 CO 0.10 0.00 -0.39 0.00 -1.00 0.00 0.00 179.01 177.72 1tru h ALA 14 N 1.94 0.52 -0.40 3.43 0.00 0.16 -1.74 119.26 123.17 1tru h ALA 14 Ca 0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 1tru h ALA 14 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1tru h ALA 14 CO -0.00 0.62 -0.35 -0.07 0.00 0.00 0.00 179.25 179.45 1tru h LEU 15 N 0.68 0.98 -1.17 0.00 3.38 -0.79 -2.69 115.31 115.71 1tru h LEU 15 Ca 0.05 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 1tru h LEU 15 Cb 0.99 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1tru h LEU 15 CO 0.10 1.23 -0.39 -0.78 0.09 0.00 0.00 178.44 178.69 1tru h ASP 16 N 0.77 0.06 0.31 -0.43 3.58 -1.39 -2.59 116.42 116.72 1tru h ASP 16 Ca 0.07 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 1tru h ASP 16 Cb 0.94 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1tru h ASP 16 CO 0.09 0.44 -0.48 0.00 -2.88 0.00 0.00 179.24 176.41 1tru h ALA 17 N 1.56 1.04 -0.62 -0.78 0.00 -1.10 -3.01 119.26 116.35 1tru h ALA 17 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1tru h ALA 17 Cb 0.71 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1tru h ALA 17 CO 0.05 0.64 0.30 0.00 0.00 0.00 0.00 179.25 180.24 1tru h ALA 18 N 1.34 0.80 0.00 0.00 0.00 -1.14 -3.48 119.26 116.78 1tru h ALA 18 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.91 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1tru h ALA 18 CO 0.07 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1tru n GLY 19 N -0.94 1.74 0.47 0.00 0.00 -1.14 -3.21 105.19 102.11 1tru n GLY 19 Ca 0.04 -0.46 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 2.09 0.00 0.00 0.00 173.32 175.41 1tru n ASP 20 N 8.04 2.49 -4.83 1.61 5.75 -1.26 -3.22 116.55 125.14 1tru n ASP 20 Ca 0.00 -1.85 -0.31 0.00 -0.01 0.00 0.00 54.79 52.62 1tru n ASP 20 Cb 0.00 -0.14 0.03 0.00 -1.03 0.00 0.00 41.12 39.98 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1tru s LYS 21 N -0.94 3.25 0.75 0.11 1.02 -1.20 -4.83 119.74 117.92 1tru s LYS 21 Ca 0.16 0.97 -0.14 0.00 0.02 0.00 0.00 55.97 56.98 1tru s LYS 21 Cb 0.09 -2.03 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 1tru s LYS 21 CO 0.12 -0.85 1.19 -1.17 -0.92 0.00 0.00 175.35 173.72 1tru s LEU 22 N -5.11 3.24 -0.31 3.17 0.20 -1.26 -4.59 118.68 114.02 1tru s LEU 22 Ca 0.59 2.30 0.00 0.00 0.69 0.00 0.00 54.13 57.71 1tru s LEU 22 Cb -0.13 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.18 1tru s LEU 22 CO 0.49 -2.34 0.30 -0.69 -0.29 0.00 0.00 176.35 173.81 1tru s VAL 23 N -2.12 -0.34 -0.29 1.68 1.01 -1.06 -2.78 120.40 116.50 1tru s VAL 23 Ca 0.72 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1tru s VAL 23 Cb -0.27 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1tru s VAL 23 CO 0.47 -0.54 0.23 -0.69 0.00 0.00 0.00 175.10 174.57 1tru s VAL 24 N 2.05 5.28 -0.12 2.92 1.01 -1.02 -0.17 120.40 130.35 1tru s VAL 24 Ca 0.12 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 1tru s VAL 24 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1tru s VAL 24 CO -0.24 0.20 0.28 -0.69 0.00 0.00 0.00 175.10 174.65 1tru s VAL 25 N 1.81 5.29 -0.29 2.92 1.01 0.68 -2.55 120.40 129.26 1tru s VAL 25 Ca 0.08 0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 1tru s VAL 25 Cb -0.16 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1tru s VAL 25 CO 0.11 0.47 0.06 -0.62 0.00 0.00 0.00 175.10 175.12 1tru s ASP 26 N -0.12 5.03 -0.47 3.32 2.15 -0.83 -0.93 116.67 124.83 1tru s ASP 26 Ca 0.17 -0.81 -0.15 0.00 0.43 0.00 0.00 52.55 52.19 1tru s ASP 26 Cb -0.13 -1.84 0.07 0.00 -0.30 0.00 0.00 42.92 40.71 1tru s ASP 26 CO 0.06 -0.20 0.38 -0.36 -0.17 0.00 0.00 175.17 174.88 1tru s PHE 27 N 1.45 3.25 0.17 -5.34 0.08 0.49 -2.94 117.98 115.14 1tru s PHE 27 Ca 0.01 -0.90 -0.04 0.00 0.12 0.00 0.00 56.93 56.12 1tru s PHE 27 Cb -0.17 -3.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 1tru s PHE 27 CO 0.01 -0.78 0.18 -1.12 -0.10 0.00 0.00 175.22 173.42 1tru s SER 28 N 2.50 0.15 -0.58 1.36 0.01 -1.23 -1.51 113.70 114.40 1tru s SER 28 Ca 0.04 -1.15 -0.19 0.00 1.31 0.00 0.00 55.95 55.96 1tru s SER 28 Cb -0.24 0.39 0.10 0.00 0.21 0.00 0.00 66.02 66.48 1tru s SER 28 CO 0.07 -0.85 0.70 0.00 0.41 0.00 0.00 173.24 173.57 1tru s ALA 29 N -4.06 3.40 0.54 1.44 0.00 -1.26 -3.13 121.76 118.69 1tru s ALA 29 Ca 0.27 -2.16 0.25 0.00 0.00 0.00 0.00 51.96 50.32 1tru s ALA 29 Cb 0.05 -3.52 1.42 0.00 0.00 0.00 0.00 23.12 21.08 1tru s ALA 29 CO 0.05 -2.32 2.01 0.00 0.00 0.00 0.00 175.76 175.50 1tru h THR 30 N 5.92 0.70 -0.01 0.00 1.03 -1.95 0.53 112.91 119.13 1tru h THR 30 Ca -0.29 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 1.09 0.00 -0.96 4.11 -0.01 0.00 0.00 175.52 179.75 1tru h TRP 31 N 0.00 0.78 -2.93 0.00 5.08 -2.02 -3.45 115.95 113.41 1tru h TRP 31 Ca 0.21 -0.42 -0.47 0.00 1.08 0.00 0.00 58.89 59.29 1tru h TRP 31 Cb 0.88 -0.09 0.22 0.00 -3.00 0.00 0.00 29.16 27.17 1tru h TRP 31 CO 0.00 1.24 -0.59 0.00 -1.28 0.00 0.00 178.44 177.81 1tru n GLY 33 N 1.51 -0.39 0.34 0.00 0.00 -1.26 -3.98 105.19 101.41 1tru n GLY 33 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 0.05 1.61 0.11 -1.96 -0.55 132.00 131.26 1tru h PRO 34 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 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 -0.44 0.00 -0.21 0.00 0.00 178.00 177.35 1tru n LYS 36 N -4.41 0.07 0.10 0.00 4.81 -0.29 -2.05 118.16 116.40 1tru n LYS 36 Ca -0.14 0.40 0.10 0.00 -0.87 0.00 0.00 58.31 57.80 1tru n LYS 36 Cb 0.63 -1.67 0.44 0.00 0.02 0.00 0.00 35.03 34.45 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 -1.81 0.14 -0.87 1.64 2.81 -0.72 -2.11 117.12 116.20 1tru n MET 37 Ca 0.02 0.43 -0.02 0.00 -1.81 0.00 0.00 57.70 56.32 1tru n MET 37 Cb 0.13 -1.79 0.30 0.00 -0.71 0.00 0.00 33.22 31.15 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 -2.05 2.57 0.05 2.02 5.41 -0.87 -4.33 119.36 122.15 1tru n ILE 38 Ca 0.02 -1.35 -0.00 0.00 1.00 0.00 0.00 62.75 62.41 1tru n ILE 38 Cb 0.17 -0.37 -0.07 0.00 -0.71 0.00 0.00 39.64 38.66 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 2.75 0.00 0.00 0.38 2.10 -1.65 -3.26 116.57 116.90 1tru h LYS 39 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1tru h LYS 39 Cb 2.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 1tru h LYS 39 CO 0.59 0.35 0.00 -0.35 -2.00 0.00 0.00 179.45 178.04 1tru n PRO 40 N -2.96 0.69 0.00 0.07 -0.04 -1.26 -2.86 135.00 128.64 1tru n PRO 40 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.83 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tru n PHE 41 N -0.68 0.00 0.53 0.54 3.72 -1.24 -4.49 117.46 115.83 1tru n PHE 41 Ca 0.06 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.25 1tru n PHE 41 Cb 0.03 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.47 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 -1.27 0.00 1.38 3.57 -1.69 -1.64 116.94 117.29 1tru h PHE 42 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 42 Cb 0.00 0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1tru h PHE 42 CO 0.00 -0.78 0.00 1.58 -2.23 0.00 0.00 178.31 176.88 1tru n HIS 43 N -5.67 0.00 0.00 0.41 -0.00 -1.13 -1.91 115.22 106.92 1tru n HIS 43 Ca -0.17 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.00 1tru n HIS 43 Cb 0.53 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.30 1tru n HIS 43 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1tru n SER 44 N -1.00 0.65 0.04 0.26 3.41 -0.64 -3.92 113.62 112.43 1tru n SER 44 Ca 0.07 0.29 0.03 0.00 -0.26 0.00 0.00 58.87 59.00 1tru n SER 44 Cb 0.03 0.43 0.16 0.00 -0.26 0.00 0.00 64.21 64.57 1tru n SER 44 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1tru n LEU 45 N -2.83 0.15 -0.11 1.04 4.77 -0.80 -1.66 117.00 117.56 1tru n LEU 45 Ca -0.14 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.46 1tru n LEU 45 Cb 0.89 -0.58 0.38 0.00 -2.33 0.00 0.00 43.42 41.78 1tru n LEU 45 CO 0.43 -0.61 1.20 0.28 -1.33 0.00 0.00 177.39 177.36 1tru h SER 46 N 0.00 0.59 0.79 -1.43 0.02 -1.76 0.50 113.55 112.26 1tru h SER 46 Ca 0.00 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1tru h SER 46 Cb 0.03 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1tru h SER 46 CO 0.00 0.40 -1.31 -0.33 -1.14 0.00 0.00 176.83 174.46 1tru h GLU 47 N 0.68 0.00 0.00 3.45 5.08 -1.62 -3.34 114.58 118.83 1tru h GLU 47 Ca 0.24 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1tru h GLU 47 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1tru h GLU 47 CO -0.07 0.30 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.63 1tru h LYS 48 N 0.00 0.00 -3.48 2.33 3.64 -1.41 -3.41 116.57 114.23 1tru h LYS 48 Ca -0.14 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.53 1tru h LYS 48 Cb 1.54 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 33.02 1tru h LYS 48 CO 0.05 0.56 -0.16 0.71 -2.27 0.00 0.00 179.45 178.34 1tru s TYR 49 N -2.08 3.70 -1.26 1.91 2.02 0.17 -4.88 117.35 116.92 1tru s TYR 49 Ca -0.16 -2.78 0.17 0.00 -0.37 0.00 0.00 57.07 53.93 1tru s TYR 49 Cb 0.01 -3.31 0.79 0.00 -0.40 0.00 0.00 41.96 39.05 1tru s TYR 49 CO 0.40 -0.81 1.51 -1.13 -1.57 0.00 0.00 175.55 173.94 1tru n SER 50 N 2.97 0.00 -2.20 2.29 3.41 -1.25 -2.81 113.62 116.03 1tru n SER 50 Ca 0.15 0.22 -0.26 0.00 -0.26 0.00 0.00 58.87 58.73 1tru n SER 50 Cb 0.38 -0.37 0.15 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.37 4.75 -4.02 4.04 5.15 -1.26 -4.22 115.26 118.33 1tru n ASN 51 Ca 0.06 -3.58 -0.18 0.00 -0.60 0.00 0.00 54.58 50.29 1tru n ASN 51 Cb 0.16 -0.87 -0.14 0.00 -0.53 0.00 0.00 39.78 38.40 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 -3.52 0.67 -0.32 3.44 1.01 -1.12 -4.70 120.40 115.85 1tru s VAL 52 Ca 0.56 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1tru s VAL 52 Cb 0.46 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1tru s VAL 52 CO 0.07 0.12 0.29 -0.63 0.00 0.00 0.00 175.10 174.95 1tru s ILE 53 N -0.35 5.24 -0.17 2.22 -1.09 -1.12 -3.39 121.20 122.55 1tru s ILE 53 Ca 0.02 0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1tru s ILE 53 Cb -0.04 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1tru s ILE 53 CO -0.00 0.02 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.31 1tru s PHE 54 N 1.86 2.97 -0.12 3.97 0.08 -1.20 -2.43 117.98 123.10 1tru s PHE 54 Ca 0.09 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.60 1tru s PHE 54 Cb -0.17 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1tru s PHE 54 CO 0.11 -0.19 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.53 1tru s LEU 55 N 0.63 3.48 -0.37 -0.37 1.02 -1.06 -2.43 118.68 119.59 1tru s LEU 55 Ca -0.03 0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.12 1tru s LEU 55 Cb -0.15 -1.82 0.08 0.00 0.02 0.00 0.00 46.19 44.33 1tru s LEU 55 CO 0.02 0.27 0.14 -0.70 0.02 0.00 0.00 176.35 176.10 1tru s GLU 56 N -0.26 2.19 -0.17 1.70 2.12 -1.10 -1.97 118.70 121.21 1tru s GLU 56 Ca 0.06 -1.59 -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 -0.90 0.04 0.08 -0.54 0.00 0.00 175.26 173.96 1tru s VAL 57 N 1.20 4.62 -0.33 3.70 1.01 -1.15 -3.12 120.40 126.33 1tru s VAL 57 Ca 0.03 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 57 Cb -0.22 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1tru s VAL 57 CO -0.02 0.48 0.39 -0.62 0.00 0.00 0.00 175.10 175.32 1tru s ASP 58 N 0.29 6.21 0.00 3.32 2.15 -1.26 -3.55 116.67 123.83 1tru s ASP 58 Ca 0.02 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 52.88 1tru s ASP 58 Cb -0.13 -2.21 0.10 0.00 -0.30 0.00 0.00 42.92 40.38 1tru s ASP 58 CO 0.01 -0.34 0.36 1.33 -0.17 0.00 0.00 175.17 176.35 1tru n VAL 59 N 5.26 0.00 -0.04 1.11 0.24 -1.18 -0.94 118.33 122.77 1tru n VAL 59 Ca -0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.49 -0.56 -0.04 0.00 -1.47 0.00 0.00 33.84 32.26 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 -0.65 3.35 -0.01 -1.34 9.92 -1.26 -4.37 116.55 122.19 1tru n ASP 60 Ca 0.01 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.02 1tru n ASP 60 Cb 0.01 -0.06 -0.13 0.00 -0.64 0.00 0.00 41.12 40.29 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 0.33 -1.98 -2.24 3.58 -1.81 -3.38 116.42 110.92 1tru h ASP 61 Ca -0.19 -0.83 -0.74 0.00 0.42 0.00 0.00 57.03 55.70 1tru h ASP 61 Cb 1.30 -0.11 -0.30 0.00 1.72 0.00 0.00 39.33 41.94 1tru h ASP 61 CO -0.03 1.68 0.69 0.00 -2.88 0.00 0.00 179.24 178.71 1tru n ALA 62 N -3.06 6.13 0.14 -0.78 0.00 -0.12 -4.73 120.51 118.09 1tru n ALA 62 Ca -0.29 -4.27 0.09 0.00 0.00 0.00 0.00 53.44 48.97 1tru n ALA 62 Cb 0.91 -1.74 0.46 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.43 0.11 -0.04 0.00 10.64 -1.26 -1.08 117.38 125.32 1tru n GLN 63 Ca 0.49 0.60 -0.16 0.00 -1.83 0.00 0.00 57.00 56.10 1tru n GLN 63 Cb 0.31 -1.91 -0.06 0.00 -0.86 0.00 0.00 30.24 27.72 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 0.31 2.61 3.04 -1.93 -0.99 116.42 120.41 1tru h ASP 64 Ca 0.00 -0.58 -0.21 0.00 -3.24 0.00 0.00 57.03 53.00 1tru h ASP 64 Cb 0.10 -0.28 -0.00 0.00 -1.04 0.00 0.00 39.33 38.11 1tru h ASP 64 CO 0.00 1.38 -0.85 0.58 -2.04 0.00 0.00 179.24 178.31 1tru h VAL 65 N 0.59 1.39 -0.23 4.15 2.07 -1.48 -2.59 116.25 120.15 1tru h VAL 65 Ca -0.03 -2.33 -0.10 0.00 0.82 0.00 0.00 66.70 65.06 1tru h VAL 65 Cb 1.32 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1tru h VAL 65 CO 0.15 0.70 -0.27 0.00 0.02 0.00 0.00 177.57 178.16 1tru h ALA 66 N 0.82 1.10 0.05 1.67 0.00 -1.43 -0.28 119.26 121.20 1tru h ALA 66 Ca -0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1tru h ALA 66 Cb 1.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1tru h ALA 66 CO 0.15 0.56 -0.03 0.77 0.00 0.00 0.00 179.25 180.70 1tru h SER 67 N 0.39 -0.06 -0.78 0.00 0.02 -1.11 -1.49 113.55 110.53 1tru h SER 67 Ca 0.06 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1tru h SER 67 Cb 0.69 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1tru h SER 67 CO 0.05 0.42 0.36 -0.08 -1.14 0.00 0.00 176.83 176.44 1tru h GLU 68 N -0.56 1.14 0.00 3.45 4.81 -1.41 -0.26 114.58 121.75 1tru h GLU 68 Ca -0.01 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1tru h GLU 68 Cb 0.49 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1tru h GLU 68 CO 0.01 0.89 0.00 0.00 -0.73 0.00 0.00 179.01 179.18 1tru n ALA 69 N -2.43 2.13 -3.72 2.92 0.00 -0.12 -4.88 120.51 114.41 1tru n ALA 69 Ca 0.08 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1tru n ALA 69 Cb 0.15 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.28 1tru n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tru n GLU 70 N -1.27 -4.76 -2.74 0.00 1.02 -0.11 -4.88 120.64 107.89 1tru n GLU 70 Ca 0.11 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.42 1tru n GLU 70 Cb 0.17 -5.13 -0.03 0.00 -0.02 0.00 0.00 31.44 26.42 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tru s VAL 71 N -3.69 4.27 -0.08 2.62 1.01 -0.65 -4.81 120.40 119.06 1tru s VAL 71 Ca 0.00 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.60 1tru s VAL 71 Cb -0.00 -4.59 0.08 0.00 0.00 0.00 0.00 36.38 31.86 1tru s VAL 71 CO 0.82 -1.16 1.05 0.29 0.00 0.00 0.00 175.10 176.10 1tru n LYS 72 N 7.77 2.69 -3.31 2.72 5.02 -1.26 -4.89 118.16 126.90 1tru n LYS 72 Ca 0.05 -1.74 -0.11 0.00 -2.02 0.00 0.00 58.31 54.49 1tru n LYS 72 Cb 0.48 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.36 -1.10 0.22 7.82 0.00 -1.26 -5.15 121.76 120.95 1tru s ALA 73 Ca 0.08 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1tru s ALA 73 Cb 0.06 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1tru s ALA 73 CO 0.02 -2.09 0.44 0.95 0.00 0.00 0.00 175.76 175.08 1tru s THR 74 N 1.75 5.14 0.48 0.00 -4.23 -1.26 -4.05 115.64 113.48 1tru s THR 74 Ca 0.15 -0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.27 1tru s THR 74 Cb -0.12 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.09 -0.20 1.01 -2.16 -0.54 0.00 0.00 174.62 172.63 1tru s PRO 75 N -3.33 3.89 -0.03 3.99 0.04 -1.26 -5.00 135.00 133.29 1tru s PRO 75 Ca 0.40 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.67 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 -0.34 0.01 0.99 0.04 0.00 0.00 177.00 177.99 1tru s THR 76 N -2.17 0.14 -0.19 1.26 2.01 -0.57 -3.29 115.64 112.83 1tru s THR 76 Ca 0.64 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.74 1tru s THR 76 Cb -0.13 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1tru s THR 76 CO 0.21 0.15 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.89 1tru s PHE 77 N 1.19 2.97 0.07 4.92 0.40 -1.12 -0.38 117.98 126.03 1tru s PHE 77 Ca -0.08 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.70 1tru s PHE 77 Cb -0.13 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 1tru s PHE 77 CO -0.02 -0.31 -0.11 -0.65 0.70 0.00 0.00 175.22 174.83 1tru s GLN 78 N 0.96 2.18 -0.20 0.44 -0.21 -0.11 -2.14 119.66 120.58 1tru s GLN 78 Ca 0.00 -0.96 -0.04 0.00 0.02 0.00 0.00 55.36 54.38 1tru s GLN 78 Cb -0.15 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.54 1tru s GLN 78 CO 0.01 0.53 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.61 1tru s PHE 79 N -1.11 2.96 0.30 0.91 0.40 0.10 -0.23 117.98 121.32 1tru s PHE 79 Ca 0.19 -0.70 0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1tru s PHE 79 Cb -0.11 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 1tru s PHE 79 CO 0.10 -0.36 -0.17 -0.06 0.70 0.00 0.00 175.22 175.43 1tru s PHE 80 N 1.07 2.33 -0.20 0.36 0.40 0.76 -1.41 117.98 121.29 1tru s PHE 80 Ca 0.01 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.87 1tru s PHE 80 Cb -0.15 -1.09 0.07 0.00 0.51 0.00 0.00 43.02 42.36 1tru s PHE 80 CO 0.00 0.68 0.46 0.21 0.70 0.00 0.00 175.22 177.27 1tru s LYS 81 N -3.54 0.43 0.00 0.44 2.47 -0.41 -2.57 119.74 116.56 1tru s LYS 81 Ca 0.31 0.92 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 1tru s LYS 81 Cb -0.03 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.44 1tru s LYS 81 CO 0.15 -0.18 0.00 1.63 0.16 0.00 0.00 175.35 177.12 1tru n LYS 82 N 4.54 -1.89 -0.17 4.03 5.02 -1.20 0.43 118.16 128.92 1tru n LYS 82 Ca -0.20 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1tru n LYS 82 Cb 0.54 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 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 0.54 1.85 2.88 0.72 0.00 -1.26 -4.92 105.19 104.99 1tru n GLY 83 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.24 1.10 -0.51 1.61 -0.21 0.17 -5.08 119.66 115.50 1tru s GLN 84 Ca 0.00 -0.13 -0.27 0.00 0.02 0.00 0.00 55.36 54.98 1tru s GLN 84 Cb 0.00 -1.20 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 1tru s GLN 84 CO 0.00 -0.20 1.95 0.21 -2.12 0.00 0.00 175.29 175.13 1tru s LYS 85 N 1.47 2.72 -0.42 2.91 2.20 -1.26 -1.29 119.74 126.08 1tru s LYS 85 Ca -0.01 0.99 0.04 0.00 -0.36 0.00 0.00 55.97 56.62 1tru s LYS 85 Cb -0.13 -4.37 0.45 0.00 -1.51 0.00 0.00 37.83 32.27 1tru s LYS 85 CO -0.04 -2.59 1.46 1.33 -0.36 0.00 0.00 175.35 175.14 1tru n VAL 86 N 7.41 2.88 0.00 4.02 0.24 -0.50 -4.99 118.33 127.39 1tru n VAL 86 Ca 0.24 -3.84 0.00 0.00 -2.04 0.00 0.00 64.34 58.70 1tru n VAL 86 Cb 0.51 -1.15 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.77 4.09 3.58 7.63 0.00 -1.23 -4.93 105.19 113.56 1tru n GLY 87 Ca 0.50 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.46 0.51 -0.28 1.61 -1.05 -1.26 0.03 118.70 115.79 1tru s GLU 88 Ca 0.00 0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 54.67 1tru s GLU 88 Cb 0.00 0.24 0.12 0.00 -0.44 0.00 0.00 34.13 34.05 1tru s GLU 88 CO 0.00 -0.17 0.93 -0.59 0.95 0.00 0.00 175.26 176.37 1tru s PHE 89 N -1.44 -0.64 -0.14 4.83 -0.12 -0.91 -5.00 117.98 114.57 1tru s PHE 89 Ca 0.02 1.38 -0.04 0.00 -0.05 0.00 0.00 56.93 58.23 1tru s PHE 89 Cb -0.01 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.02 -0.31 0.02 -1.54 -0.05 0.00 0.00 175.22 173.32 1tru s SER 90 N 0.94 5.29 0.00 1.98 1.04 -1.26 -2.80 113.70 118.89 1tru s SER 90 Ca -0.04 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1tru s SER 90 Cb -0.04 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1tru s SER 90 CO -0.12 0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1tru n GLY 91 N 2.93 3.94 2.10 7.32 0.00 -1.21 -4.97 105.19 115.31 1tru n GLY 91 Ca -0.18 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.25 6.75 -3.46 4.61 0.00 -1.26 -4.73 120.51 121.16 1tru n ALA 92 Ca 0.00 -2.37 -0.41 0.00 0.00 0.00 0.00 53.44 50.66 1tru n ALA 92 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 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 6.77 0.48 0.00 3.04 -1.26 -4.87 114.94 121.13 1tru s ASN 93 Ca 0.68 -3.62 0.15 0.00 0.04 0.00 0.00 52.86 50.10 1tru s ASN 93 Cb 0.28 -2.09 1.15 0.00 -1.54 0.00 0.00 41.25 39.06 1tru s ASN 93 CO -0.02 -0.25 2.08 0.07 -3.04 0.00 0.00 177.10 175.94 1tru h LYS 94 N 6.43 0.19 0.00 0.43 2.10 -1.99 0.21 116.57 123.94 1tru h LYS 94 Ca 0.17 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.75 1tru h LYS 94 Cb 0.85 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1tru h LYS 94 CO 0.94 0.12 -0.27 0.93 -2.00 0.00 0.00 179.45 179.17 1tru h GLU 95 N 0.19 0.00 -0.36 0.07 5.08 -1.99 -2.78 114.58 114.79 1tru h GLU 95 Ca 0.11 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1tru h GLU 95 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1tru h GLU 95 CO -0.02 0.27 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.79 1tru h LYS 96 N 0.00 0.73 -1.00 2.33 3.64 -1.36 -2.92 116.57 118.00 1tru h LYS 96 Ca -0.00 -0.31 0.24 0.00 -1.27 0.00 0.00 60.65 59.30 1tru h LYS 96 Cb 0.62 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.29 1tru h LYS 96 CO 0.04 0.91 0.59 -0.07 -2.27 0.00 0.00 179.45 178.65 1tru h LEU 97 N 0.63 0.68 0.42 5.20 3.38 -1.47 0.16 115.31 124.31 1tru h LEU 97 Ca 0.08 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1tru h LEU 97 Cb 0.76 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1tru h LEU 97 CO 0.06 0.13 -0.20 -0.08 0.09 0.00 0.00 178.44 178.44 1tru h GLU 98 N 0.60 -0.54 -0.80 1.13 4.57 -1.65 0.27 114.58 118.17 1tru h GLU 98 Ca 0.63 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.94 1tru h GLU 98 Cb 1.17 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.81 1tru h GLU 98 CO -0.46 -0.23 0.45 0.00 -1.18 0.00 0.00 179.01 177.58 1tru h ALA 99 N -0.51 1.13 -0.13 2.92 0.00 -1.31 0.05 119.26 121.42 1tru h ALA 99 Ca -0.06 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 99 Cb 0.56 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1tru h ALA 99 CO 0.09 0.08 -0.21 1.15 0.00 0.00 0.00 179.25 180.36 1tru h THR 100 N 0.76 1.37 -0.80 0.00 2.02 -0.70 -3.03 112.91 112.54 1tru h THR 100 Ca 0.38 -1.46 0.05 0.00 0.77 0.00 0.00 66.41 66.16 1tru h THR 100 Cb 0.35 2.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.73 1tru h THR 100 CO -0.24 0.43 0.52 0.40 0.37 0.00 0.00 175.52 176.99 1tru h ILE 101 N -0.04 1.07 0.00 3.11 2.04 0.04 0.46 117.51 124.19 1tru h ILE 101 Ca 0.01 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1tru h ILE 101 Cb 0.78 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1tru h ILE 101 CO 0.05 0.16 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.47 0.00 -0.05 1.72 2.85 -0.04 -2.33 115.26 112.94 1tru n ASN 102 Ca 0.11 -0.61 -0.02 0.00 -0.11 0.00 0.00 54.58 53.96 1tru n ASN 102 Cb 0.18 -0.03 -0.02 0.00 1.24 0.00 0.00 39.78 41.15 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 -0.68 1.20 4.81 0.06 -3.35 114.58 116.62 1tru h GLU 103 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1tru h GLU 103 Cb 0.02 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1tru h GLU 103 CO 0.00 0.12 0.08 1.28 -0.73 0.00 0.00 179.01 179.75 1tru n LEU 104 N -4.75 5.40 0.00 1.64 4.77 -1.22 -5.13 117.00 117.70 1tru n LEU 104 Ca -0.02 -2.76 0.06 0.00 -0.03 0.00 0.00 56.01 53.26 1tru n LEU 104 Cb 0.07 -0.69 0.34 0.00 -2.33 0.00 0.00 43.42 40.82 1tru n LEU 104 CO 0.04 0.64 0.56 0.55 -1.33 0.00 0.00 177.39 177.86