#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 0.14 -0.19 2.03 1.01 -1.26 -3.28 120.40 118.85 1tru s VAL 2 Ca 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 1tru s VAL 2 Cb 0.00 -1.55 0.09 0.00 0.00 0.00 0.00 36.38 34.92 1tru s VAL 2 CO 0.00 -0.62 0.38 -0.75 0.00 0.00 0.00 175.10 174.11 1tru s LYS 3 N -3.91 0.29 -0.18 2.72 2.20 -1.09 -4.99 119.74 114.77 1tru s LYS 3 Ca 0.10 0.93 -0.28 0.00 -0.36 0.00 0.00 55.97 56.35 1tru s LYS 3 Cb 0.05 0.18 -0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1tru s LYS 3 CO -0.07 -0.30 0.99 -1.14 -0.36 0.00 0.00 175.35 174.47 1tru s GLN 4 N 2.57 4.31 -0.37 4.03 0.74 -1.26 -2.94 119.66 126.75 1tru s GLN 4 Ca 0.00 1.30 -0.22 0.00 0.05 0.00 0.00 55.36 56.50 1tru s GLN 4 Cb -0.12 -3.60 0.01 0.00 1.10 0.00 0.00 33.01 30.39 1tru s GLN 4 CO -0.12 -0.49 0.73 0.42 -0.55 0.00 0.00 175.29 175.28 1tru s ILE 5 N 2.67 4.79 -0.24 -2.34 -1.09 -1.21 -4.90 121.20 118.87 1tru s ILE 5 Ca 0.44 0.74 0.22 0.00 -2.23 0.00 0.00 60.65 59.82 1tru s ILE 5 Cb -0.16 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.57 1tru s ILE 5 CO 0.11 -0.40 1.07 -0.33 -1.23 0.00 0.00 174.94 174.15 1tru h GLU 6 N 8.50 0.00 -3.03 2.79 5.08 -1.94 -3.42 114.58 122.55 1tru h GLU 6 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1tru h GLU 6 Cb 1.10 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 1tru h GLU 6 CO 0.88 0.00 0.19 -1.54 -1.00 0.00 0.00 179.01 177.55 1tru s SER 7 N -5.40 -0.49 0.58 1.42 1.04 -1.26 -4.35 113.70 105.24 1tru s SER 7 Ca -0.00 -0.14 0.29 0.00 0.48 0.00 0.00 55.95 56.57 1tru s SER 7 Cb 0.09 0.62 1.51 0.00 0.10 0.00 0.00 66.02 68.34 1tru s SER 7 CO 0.78 -1.03 1.95 0.50 0.98 0.00 0.00 173.24 176.42 1tru h LYS 8 N 2.02 0.00 0.48 4.02 3.64 -1.93 -1.62 116.57 123.19 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 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.36 0.00 -0.30 1.15 -2.27 0.00 0.00 179.45 178.39 1tru h THR 9 N 0.00 0.39 0.00 1.00 2.02 -2.01 -1.62 112.91 112.69 1tru h THR 9 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1tru h THR 9 Cb 1.01 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 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 -0.27 1.22 0.10 6.16 0.00 -1.71 -2.81 119.26 121.95 1tru h ALA 10 Ca -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1tru h ALA 10 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tru h ALA 10 CO 0.06 0.08 -0.05 0.35 0.00 0.00 0.00 179.25 179.68 1tru h PHE 11 N 0.00 -0.13 0.04 0.00 3.57 -1.00 0.22 116.94 119.64 1tru h PHE 11 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1tru h PHE 11 Cb 0.24 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1tru h PHE 11 CO 0.00 -0.05 -0.02 1.96 -2.23 0.00 0.00 178.31 177.98 1tru h GLN 12 N -0.18 -0.05 -0.18 1.11 1.08 -1.25 -2.06 115.11 113.58 1tru h GLN 12 Ca -0.01 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1tru h GLN 12 Cb 0.14 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1tru h GLN 12 CO 0.02 0.13 0.13 0.93 -0.95 0.00 0.00 178.83 179.09 1tru h GLU 13 N -0.23 0.08 -0.24 1.46 5.08 -1.44 -0.93 114.58 118.38 1tru h GLU 13 Ca -0.01 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1tru h GLU 13 Cb 0.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1tru h GLU 13 CO 0.01 0.06 -0.45 0.00 -1.00 0.00 0.00 179.01 177.62 1tru h ALA 14 N 1.90 0.77 -0.13 3.43 0.00 -0.07 -0.05 119.26 125.11 1tru h ALA 14 Ca 0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1tru h ALA 14 Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1tru h ALA 14 CO -0.01 0.66 -0.11 -0.07 0.00 0.00 0.00 179.25 179.73 1tru h LEU 15 N 0.48 0.33 -1.08 0.00 3.38 -0.51 -1.57 115.31 116.34 1tru h LEU 15 Ca 0.03 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1tru h LEU 15 Cb 0.98 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1tru h LEU 15 CO 0.09 0.71 -0.39 -0.78 0.09 0.00 0.00 178.44 178.17 1tru h ASP 16 N -0.06 0.15 0.06 -0.43 3.58 -1.37 -2.73 116.42 115.62 1tru h ASP 16 Ca 0.02 -0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.28 1tru h ASP 16 Cb 0.61 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1tru h ASP 16 CO 0.03 0.53 -0.46 0.00 -2.88 0.00 0.00 179.24 176.45 1tru h ALA 17 N 1.48 0.86 -0.20 -0.78 0.00 -0.88 -2.81 119.26 116.93 1tru h ALA 17 Ca 0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1tru h ALA 17 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1tru h ALA 17 CO 0.06 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.98 1tru h ALA 18 N 1.12 1.66 -0.00 0.00 0.00 -0.96 -3.47 119.26 117.60 1tru h ALA 18 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tru h ALA 18 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1tru h ALA 18 CO 0.08 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1tru n GLY 19 N -1.19 2.16 0.50 0.00 0.00 -1.06 -3.06 105.19 102.54 1tru n GLY 19 Ca -0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 9.15 2.72 -4.83 1.61 8.00 -1.26 -3.70 116.55 128.24 1tru n ASP 20 Ca 0.00 -2.00 -0.31 0.00 0.71 0.00 0.00 54.79 53.19 1tru n ASP 20 Cb 0.00 -0.18 0.04 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.00 3.04 0.89 -1.24 1.02 -1.17 -4.79 119.74 116.49 1tru s LYS 21 Ca 0.18 0.92 -0.10 0.00 0.02 0.00 0.00 55.97 56.98 1tru s LYS 21 Cb 0.09 -2.00 0.13 0.00 -0.52 0.00 0.00 37.83 35.53 1tru s LYS 21 CO 0.12 -1.01 1.13 -1.17 -0.92 0.00 0.00 175.35 173.49 1tru s LEU 22 N -5.49 2.75 -0.32 3.17 0.20 -1.26 -4.55 118.68 113.18 1tru s LEU 22 Ca 0.58 2.04 0.02 0.00 0.69 0.00 0.00 54.13 57.46 1tru s LEU 22 Cb -0.13 -4.47 0.15 0.00 -0.43 0.00 0.00 46.19 41.31 1tru s LEU 22 CO 0.55 -2.91 0.36 -0.69 -0.29 0.00 0.00 176.35 173.37 1tru s VAL 23 N -2.71 -0.45 -0.29 1.68 1.01 -0.83 -3.17 120.40 115.65 1tru s VAL 23 Ca 0.65 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 1tru s VAL 23 Cb -0.21 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1tru s VAL 23 CO 0.58 -0.45 0.27 -0.69 0.00 0.00 0.00 175.10 174.81 1tru s VAL 24 N 2.04 5.25 -0.13 2.92 1.01 -0.96 0.13 120.40 130.67 1tru s VAL 24 Ca 0.12 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 1tru s VAL 24 Cb -0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1tru s VAL 24 CO -0.21 0.17 0.27 -0.69 0.00 0.00 0.00 175.10 174.64 1tru s VAL 25 N 1.89 5.31 -0.29 2.92 1.01 0.74 -2.48 120.40 129.49 1tru s VAL 25 Ca 0.10 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.51 1tru s VAL 25 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1tru s VAL 25 CO 0.11 0.48 0.07 -0.62 0.00 0.00 0.00 175.10 175.14 1tru s ASP 26 N -0.13 5.10 -0.50 3.32 2.15 -0.78 -1.07 116.67 124.75 1tru s ASP 26 Ca 0.17 -0.74 -0.16 0.00 0.43 0.00 0.00 52.55 52.24 1tru s ASP 26 Cb -0.13 -1.87 0.09 0.00 -0.30 0.00 0.00 42.92 40.71 1tru s ASP 26 CO 0.05 -0.20 0.46 -0.36 -0.17 0.00 0.00 175.17 174.96 1tru s PHE 27 N 1.48 3.21 0.20 -5.34 0.08 0.32 -2.84 117.98 115.09 1tru s PHE 27 Ca 0.02 -0.98 -0.04 0.00 0.12 0.00 0.00 56.93 56.05 1tru s PHE 27 Cb -0.17 -3.41 -0.03 0.00 -0.57 0.00 0.00 43.02 38.84 1tru s PHE 27 CO 0.02 -0.90 0.21 -1.54 -0.10 0.00 0.00 175.22 172.91 1tru s SER 28 N 2.91 0.11 -0.56 1.36 1.04 -1.22 -1.65 113.70 115.68 1tru s SER 28 Ca 0.05 -1.21 -0.17 0.00 0.48 0.00 0.00 55.95 55.09 1tru s SER 28 Cb -0.25 0.42 0.11 0.00 0.10 0.00 0.00 66.02 66.40 1tru s SER 28 CO 0.06 -0.90 0.60 0.00 0.98 0.00 0.00 173.24 173.98 1tru s ALA 29 N -4.10 3.53 0.55 5.32 0.00 -1.26 -3.13 121.76 122.67 1tru s ALA 29 Ca 0.31 -2.36 0.25 0.00 0.00 0.00 0.00 51.96 50.16 1tru s ALA 29 Cb 0.05 -3.39 1.46 0.00 0.00 0.00 0.00 23.12 21.24 1tru s ALA 29 CO 0.09 -2.17 2.04 0.00 0.00 0.00 0.00 175.76 175.71 1tru h THR 30 N 5.90 0.67 -0.00 0.00 1.03 -1.95 0.19 112.91 118.75 1tru h THR 30 Ca -0.30 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 65.93 1tru h THR 30 Cb 1.09 0.79 -0.02 0.00 -1.07 0.00 0.00 68.15 68.94 1tru h THR 30 CO 1.06 0.00 -0.79 4.11 -0.01 0.00 0.00 175.52 179.89 1tru h TRP 31 N 0.00 0.14 -3.78 0.00 5.08 -2.02 -3.45 115.95 111.92 1tru h TRP 31 Ca 0.17 -0.07 -0.47 0.00 1.08 0.00 0.00 58.89 59.60 1tru h TRP 31 Cb 0.75 -0.02 0.18 0.00 -3.00 0.00 0.00 29.16 27.08 1tru h TRP 31 CO 0.00 0.85 0.15 0.00 -1.28 0.00 0.00 178.44 178.16 1tru n GLY 33 N -0.11 -0.37 0.35 0.00 0.00 -1.26 -3.91 105.19 99.89 1tru n GLY 33 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.30 132.00 131.46 1tru h PRO 34 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 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 -0.14 0.00 -0.21 0.00 0.00 178.00 177.65 1tru n LYS 36 N -4.59 0.09 0.27 0.00 4.81 -0.26 -2.22 118.16 116.25 1tru n LYS 36 Ca -0.12 0.24 0.17 0.00 -0.87 0.00 0.00 58.31 57.73 1tru n LYS 36 Cb 0.49 -1.50 0.71 0.00 0.02 0.00 0.00 35.03 34.75 1tru n LYS 36 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1tru h MET 37 N 0.00 0.00 -0.82 1.64 4.05 -1.21 -2.71 114.93 115.87 1tru h MET 37 Ca 0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 1tru h MET 37 Cb 0.12 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.82 1tru h MET 37 CO 0.00 0.00 0.22 -0.89 0.23 0.00 0.00 176.91 176.47 1tru n ILE 38 N -3.00 2.34 0.04 1.77 5.41 -0.94 -4.30 119.36 120.68 1tru n ILE 38 Ca 0.00 -1.22 -0.01 0.00 1.00 0.00 0.00 62.75 62.52 1tru n ILE 38 Cb 0.27 -0.45 -0.08 0.00 -0.71 0.00 0.00 39.64 38.67 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 2.02 0.00 0.00 0.38 2.10 -1.71 -3.23 116.57 116.13 1tru h LYS 39 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1tru h LYS 39 Cb 1.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.30 1tru h LYS 39 CO 0.58 0.36 0.00 -0.35 -2.00 0.00 0.00 179.45 178.04 1tru n PRO 40 N -2.96 0.59 0.00 0.07 -0.05 -1.26 -2.48 135.00 128.91 1tru n PRO 40 Ca -0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.36 1tru n PRO 40 Cb 0.86 -1.27 -0.00 0.00 -0.05 0.00 0.00 33.50 33.04 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 0.38 0.54 3.72 -1.25 -4.36 117.46 115.74 1tru n PHE 41 Ca 0.08 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.33 1tru n PHE 41 Cb 0.03 -0.02 -0.07 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 -0.03 -0.90 0.00 1.38 3.57 -1.65 -1.92 116.94 117.38 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 0.03 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1tru h PHE 42 CO -0.01 -0.56 0.00 1.58 -2.23 0.00 0.00 178.31 177.09 1tru n HIS 43 N -4.63 0.00 0.07 0.41 -0.00 -1.03 -1.82 115.22 108.22 1tru n HIS 43 Ca -0.12 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.11 1tru n HIS 43 Cb 0.38 -0.24 -0.03 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 0.02 0.26 0.87 -1.29 -3.31 113.55 110.11 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 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1tru h SER 44 CO 0.00 0.34 0.00 0.18 -0.53 0.00 0.00 176.83 176.82 1tru n LEU 45 N -2.85 0.43 0.14 2.23 4.77 -0.76 -1.60 117.00 119.37 1tru n LEU 45 Ca -0.05 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1tru n LEU 45 Cb 0.72 -0.75 0.66 0.00 -2.33 0.00 0.00 43.42 41.71 1tru n LEU 45 CO 0.41 -0.84 1.12 0.28 -1.33 0.00 0.00 177.39 177.03 1tru h SER 46 N 0.00 0.01 0.56 -1.43 0.02 -1.76 0.60 113.55 111.55 1tru h SER 46 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1tru h SER 46 Cb 0.01 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 1tru h SER 46 CO 0.00 0.01 -1.61 -0.33 -1.14 0.00 0.00 176.83 173.75 1tru h GLU 47 N 0.01 0.00 0.00 3.45 4.39 -1.59 -3.34 114.58 117.50 1tru h GLU 47 Ca 0.11 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1tru h GLU 47 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1tru h GLU 47 CO -0.00 0.56 -0.43 -0.22 -1.16 0.00 0.00 179.01 177.76 1tru h LYS 48 N 0.00 0.00 -3.49 2.33 3.64 -1.37 -3.41 116.57 114.27 1tru h LYS 48 Ca -0.25 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.40 1tru h LYS 48 Cb 1.98 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 33.48 1tru h LYS 48 CO 0.09 0.58 -0.01 0.71 -2.27 0.00 0.00 179.45 178.55 1tru s TYR 49 N -2.11 3.85 -1.36 1.91 2.02 0.20 -4.87 117.35 117.00 1tru s TYR 49 Ca -0.16 -2.75 0.17 0.00 -0.37 0.00 0.00 57.07 53.95 1tru s TYR 49 Cb 0.01 -3.44 0.82 0.00 -0.40 0.00 0.00 41.96 38.96 1tru s TYR 49 CO 0.42 -0.84 1.50 -1.13 -1.57 0.00 0.00 175.55 173.93 1tru n SER 50 N 2.87 0.00 -2.20 2.29 3.41 -1.25 -2.78 113.62 115.95 1tru n SER 50 Ca 0.18 0.12 -0.25 0.00 -0.26 0.00 0.00 58.87 58.66 1tru n SER 50 Cb 0.39 -0.32 0.15 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.32 4.54 -4.03 4.04 5.15 -1.26 -4.60 115.26 117.78 1tru n ASN 51 Ca 0.07 -3.58 -0.18 0.00 -0.60 0.00 0.00 54.58 50.29 1tru n ASN 51 Cb 0.14 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.39 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 0.72 -0.32 3.44 1.01 -1.12 -4.72 120.40 115.93 1tru s VAL 52 Ca 0.56 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1tru s VAL 52 Cb 0.47 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 1tru s VAL 52 CO 0.08 0.12 0.27 -0.63 0.00 0.00 0.00 175.10 174.94 1tru s ILE 53 N -0.38 5.25 -0.15 2.22 -1.09 -1.19 -4.37 121.20 121.49 1tru s ILE 53 Ca 0.02 0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1tru s ILE 53 Cb -0.04 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1tru s ILE 53 CO -0.00 0.04 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.32 1tru s PHE 54 N 1.83 2.95 -0.11 3.97 0.08 -1.20 -2.27 117.98 123.23 1tru s PHE 54 Ca 0.08 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.67 1tru s PHE 54 Cb -0.17 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1tru s PHE 54 CO 0.11 -0.13 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.55 1tru s LEU 55 N 0.44 3.30 -0.37 -0.37 1.02 -1.03 -2.68 118.68 118.98 1tru s LEU 55 Ca -0.06 -0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.03 1tru s LEU 55 Cb -0.15 -1.76 0.08 0.00 0.02 0.00 0.00 46.19 44.38 1tru s LEU 55 CO 0.04 0.28 0.13 -0.70 0.02 0.00 0.00 176.35 176.12 1tru s GLU 56 N -0.32 2.22 -0.16 1.70 2.12 -1.15 -1.87 118.70 121.24 1tru s GLU 56 Ca 0.05 -1.56 -0.06 0.00 0.36 0.00 0.00 54.97 53.76 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 4.61 -0.32 3.70 1.01 -1.13 -3.34 120.40 126.15 1tru s VAL 57 Ca 0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 57 Cb -0.21 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1tru s VAL 57 CO -0.02 0.49 0.32 -0.62 0.00 0.00 0.00 175.10 175.27 1tru s ASP 58 N 0.14 6.15 0.00 3.32 2.15 -1.26 -3.41 116.67 123.76 1tru s ASP 58 Ca 0.04 -0.12 0.02 0.00 0.43 0.00 0.00 52.55 52.92 1tru s ASP 58 Cb -0.13 -2.18 0.14 0.00 -0.30 0.00 0.00 42.92 40.46 1tru s ASP 58 CO 0.01 -0.24 0.45 1.33 -0.17 0.00 0.00 175.17 176.55 1tru n VAL 59 N 5.16 0.00 -0.06 1.11 0.24 -1.18 -1.04 118.33 122.57 1tru n VAL 59 Ca -0.10 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.12 1tru n VAL 59 Cb 0.50 -0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 32.14 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 -0.75 3.09 0.01 -1.34 9.92 -1.26 -4.27 116.55 121.95 1tru n ASP 60 Ca 0.02 -0.06 -0.21 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.11 -0.14 0.00 -0.64 0.00 0.00 41.12 40.24 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 0.40 -1.96 -2.24 3.58 -1.81 -3.36 116.42 111.04 1tru h ASP 61 Ca -0.25 -0.86 -0.74 0.00 0.42 0.00 0.00 57.03 55.59 1tru h ASP 61 Cb 1.41 -0.13 -0.30 0.00 1.72 0.00 0.00 39.33 42.03 1tru h ASP 61 CO -0.04 1.63 0.72 0.00 -2.88 0.00 0.00 179.24 178.67 1tru n ALA 62 N -2.95 6.18 0.12 -0.78 0.00 -0.20 -4.73 120.51 118.15 1tru n ALA 62 Ca -0.25 -4.23 0.07 0.00 0.00 0.00 0.00 53.44 49.04 1tru n ALA 62 Cb 0.91 -1.74 0.38 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.47 0.09 -0.02 0.00 10.64 -1.26 -0.94 117.38 125.42 1tru n GLN 63 Ca 0.50 0.57 -0.16 0.00 -1.83 0.00 0.00 57.00 56.08 1tru n GLN 63 Cb 0.31 -1.89 -0.06 0.00 -0.86 0.00 0.00 30.24 27.75 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 0.90 0.93 2.61 2.03 -1.93 -2.68 116.42 118.29 1tru h ASP 64 Ca 0.00 -0.58 -0.12 0.00 -0.73 0.00 0.00 57.03 55.59 1tru h ASP 64 Cb 0.18 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 1tru h ASP 64 CO 0.00 1.38 -0.59 0.58 -1.03 0.00 0.00 179.24 179.58 1tru h VAL 65 N 0.53 1.20 -0.30 4.15 2.07 -1.43 -2.49 116.25 119.99 1tru h VAL 65 Ca -0.05 -2.20 -0.06 0.00 0.82 0.00 0.00 66.70 65.22 1tru h VAL 65 Cb 1.38 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1tru h VAL 65 CO 0.15 0.58 -0.05 0.00 0.02 0.00 0.00 177.57 178.27 1tru h ALA 66 N 1.41 0.41 -0.20 1.67 0.00 -1.42 0.98 119.26 122.10 1tru h ALA 66 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1tru h ALA 66 Cb 1.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1tru h ALA 66 CO 0.08 0.21 -0.18 1.03 0.00 0.00 0.00 179.25 180.38 1tru h SER 67 N 0.34 0.51 -0.64 0.00 0.87 -1.47 -1.81 113.55 111.34 1tru h SER 67 Ca 0.08 -0.47 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 1tru h SER 67 Cb 0.52 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 1tru h SER 67 CO 0.03 0.87 0.31 -0.08 -0.53 0.00 0.00 176.83 177.43 1tru h GLU 68 N 0.15 0.92 0.00 2.24 4.22 -1.42 -0.50 114.58 120.20 1tru h GLU 68 Ca 0.03 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1tru h GLU 68 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1tru h GLU 68 CO 0.05 0.73 0.00 0.00 -2.18 0.00 0.00 179.01 177.61 1tru n ALA 69 N -2.35 2.21 -2.76 2.92 0.00 0.33 -4.85 120.51 116.02 1tru n ALA 69 Ca 0.04 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1tru n ALA 69 Cb 0.12 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.18 -2.87 -2.84 0.00 1.02 -0.20 -4.89 120.64 109.69 1tru n GLU 70 Ca 0.13 0.66 -0.43 0.00 -0.02 0.00 0.00 57.16 57.50 1tru n GLU 70 Cb 0.14 -5.33 -0.04 0.00 -0.02 0.00 0.00 31.44 26.19 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 -2.82 4.53 -0.15 2.62 1.01 -0.87 -4.86 120.40 119.86 1tru s VAL 71 Ca 0.15 0.80 0.15 0.00 0.00 0.00 0.00 61.98 63.08 1tru s VAL 71 Cb -0.07 -4.39 0.33 0.00 0.00 0.00 0.00 36.38 32.24 1tru s VAL 71 CO 0.18 -0.74 1.17 0.29 0.00 0.00 0.00 175.10 175.99 1tru n LYS 72 N 7.00 1.28 -3.31 2.72 4.76 -1.26 -4.84 118.16 124.51 1tru n LYS 72 Ca 0.06 -2.74 -0.10 0.00 -2.87 0.00 0.00 58.31 52.66 1tru n LYS 72 Cb 0.48 -1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tru s ALA 73 N -2.75 -1.10 0.23 7.82 0.00 -1.26 -5.15 121.76 119.55 1tru s ALA 73 Ca 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 1tru s ALA 73 Cb 0.30 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 1tru s ALA 73 CO -0.01 -2.03 0.44 0.95 0.00 0.00 0.00 175.76 175.10 1tru s THR 74 N 1.88 5.15 0.44 0.00 -4.23 -1.26 -4.03 115.64 113.59 1tru s THR 74 Ca 0.14 -0.23 -0.21 0.00 -1.18 0.00 0.00 61.69 60.21 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 -0.13 -0.21 1.00 -2.16 -0.54 0.00 0.00 174.62 172.58 1tru s PRO 75 N -3.37 4.08 -0.03 3.99 0.04 -1.26 -5.02 135.00 133.43 1tru s PRO 75 Ca 0.40 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1tru s PRO 75 Cb -0.11 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1tru s PRO 75 CO 0.29 -0.18 0.03 0.99 0.04 0.00 0.00 177.00 178.17 1tru s THR 76 N -1.99 0.02 -0.16 1.26 2.01 -0.66 -3.38 115.64 112.74 1tru s THR 76 Ca 0.63 0.24 -0.05 0.00 0.31 0.00 0.00 61.69 62.82 1tru s THR 76 Cb -0.14 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1tru s THR 76 CO 0.18 0.14 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.89 1tru s PHE 77 N 1.46 3.09 0.04 4.92 0.40 -1.16 -0.52 117.98 126.22 1tru s PHE 77 Ca -0.04 -0.16 0.09 0.00 -0.60 0.00 0.00 56.93 56.22 1tru s PHE 77 Cb -0.13 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1tru s PHE 77 CO -0.03 0.05 -0.26 -0.65 0.70 0.00 0.00 175.22 175.04 1tru s GLN 78 N 0.27 1.76 -0.18 0.44 -0.21 -0.23 -2.16 119.66 119.35 1tru s GLN 78 Ca -0.01 -1.08 -0.06 0.00 0.02 0.00 0.00 55.36 54.23 1tru s GLN 78 Cb -0.13 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 1tru s GLN 78 CO 0.02 0.50 0.03 -0.06 -2.12 0.00 0.00 175.29 173.66 1tru s PHE 79 N -0.79 3.16 0.18 0.91 0.40 0.77 -0.18 117.98 122.43 1tru s PHE 79 Ca 0.11 -0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 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 0.02 0.04 -0.17 -0.06 0.70 0.00 0.00 175.22 175.75 1tru s PHE 80 N 0.52 1.76 -0.20 0.36 0.40 0.12 -1.87 117.98 119.07 1tru s PHE 80 Ca 0.01 -0.51 -0.12 0.00 -0.60 0.00 0.00 56.93 55.72 1tru s PHE 80 Cb -0.13 -0.86 0.06 0.00 0.51 0.00 0.00 43.02 42.61 1tru s PHE 80 CO 0.01 0.34 0.50 0.21 0.70 0.00 0.00 175.22 176.98 1tru s LYS 81 N -3.09 0.50 0.00 0.44 2.20 -0.53 -1.96 119.74 117.30 1tru s LYS 81 Ca 0.18 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1tru s LYS 81 Cb -0.04 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.33 1tru s LYS 81 CO 0.07 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.54 1tru n LYS 82 N 4.12 -1.92 -0.39 4.03 5.02 -1.24 0.55 118.16 128.33 1tru n LYS 82 Ca -0.21 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1tru n LYS 82 Cb 0.56 -4.02 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 0.56 1.60 2.88 0.72 0.00 -1.26 -4.92 105.19 104.77 1tru n GLY 83 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.50 1.05 -0.45 1.61 -0.21 0.19 -5.08 119.66 115.28 1tru s GLN 84 Ca 0.00 -0.12 -0.27 0.00 0.02 0.00 0.00 55.36 54.98 1tru s GLN 84 Cb 0.00 -1.13 -0.03 0.00 1.00 0.00 0.00 33.01 32.85 1tru s GLN 84 CO 0.00 -0.17 1.92 0.21 -2.12 0.00 0.00 175.29 175.13 1tru s LYS 85 N 1.37 2.91 -0.39 2.91 2.20 -1.26 -1.45 119.74 126.02 1tru s LYS 85 Ca -0.03 1.16 0.05 0.00 -0.36 0.00 0.00 55.97 56.78 1tru s LYS 85 Cb -0.14 -4.33 0.47 0.00 -1.51 0.00 0.00 37.83 32.33 1tru s LYS 85 CO -0.03 -2.37 1.48 1.33 -0.36 0.00 0.00 175.35 175.40 1tru n VAL 86 N 7.43 2.84 0.00 4.02 0.24 -0.78 -4.99 118.33 127.09 1tru n VAL 86 Ca 0.24 -3.57 0.00 0.00 -2.04 0.00 0.00 64.34 58.97 1tru n VAL 86 Cb 0.50 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 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 -0.85 4.05 3.57 7.63 0.00 -1.24 -4.94 105.19 113.41 1tru n GLY 87 Ca 0.47 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.70 0.53 -0.29 1.61 4.04 -1.26 -0.16 118.70 120.46 1tru s GLU 88 Ca 0.00 -0.01 -0.17 0.00 0.04 0.00 0.00 54.97 54.82 1tru s GLU 88 Cb 0.00 0.25 0.14 0.00 0.02 0.00 0.00 34.13 34.54 1tru s GLU 88 CO 0.00 -0.19 0.97 -0.59 -1.84 0.00 0.00 175.26 173.60 1tru s PHE 89 N -1.77 -0.59 -0.12 4.83 -0.12 -0.92 -4.99 117.98 114.30 1tru s PHE 89 Ca 0.03 1.20 -0.04 0.00 -0.05 0.00 0.00 56.93 58.06 1tru s PHE 89 Cb -0.01 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1tru s PHE 89 CO -0.03 -0.29 0.04 -1.54 -0.05 0.00 0.00 175.22 173.35 1tru s SER 90 N 1.22 5.51 0.00 1.98 1.04 -1.26 -2.99 113.70 119.19 1tru s SER 90 Ca -0.08 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1tru s SER 90 Cb -0.04 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1tru s SER 90 CO -0.14 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1tru n GLY 91 N 2.62 3.85 2.02 7.32 0.00 -1.22 -4.97 105.19 114.82 1tru n GLY 91 Ca -0.18 -0.66 -0.13 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 -1.21 6.37 -3.26 4.61 0.00 -1.26 -4.68 120.51 121.08 1tru n ALA 92 Ca 0.00 -1.88 -0.40 0.00 0.00 0.00 0.00 53.44 51.16 1tru n ALA 92 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.07 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 2.55 5.46 0.11 0.00 4.05 -1.26 -4.85 115.26 121.32 1tru n ASN 93 Ca 0.44 -3.28 0.15 0.00 0.45 0.00 0.00 54.58 52.34 1tru n ASN 93 Cb 0.88 -1.18 0.67 0.00 1.23 0.00 0.00 39.78 41.39 1tru n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1tru h LYS 94 N 5.65 0.00 0.00 1.20 2.10 -1.98 0.21 116.57 123.76 1tru h LYS 94 Ca 0.19 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.79 1tru h LYS 94 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1tru h LYS 94 CO 1.11 0.00 -0.25 0.93 -2.00 0.00 0.00 179.45 179.24 1tru h GLU 95 N 0.00 0.00 -0.25 0.07 4.39 -1.99 -2.68 114.58 114.12 1tru h GLU 95 Ca 0.15 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 1tru h GLU 95 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1tru h GLU 95 CO -0.00 0.25 -0.28 -0.22 -1.16 0.00 0.00 179.01 177.60 1tru h LYS 96 N 0.00 0.50 -0.95 2.33 3.64 -0.98 -2.71 116.57 118.40 1tru h LYS 96 Ca -0.00 -0.20 0.24 0.00 -1.27 0.00 0.00 60.65 59.42 1tru h LYS 96 Cb 0.62 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 1tru h LYS 96 CO 0.03 0.73 0.64 -0.07 -2.27 0.00 0.00 179.45 178.52 1tru h LEU 97 N 0.44 0.27 0.27 5.20 3.38 -1.47 0.55 115.31 123.95 1tru h LEU 97 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1tru h LEU 97 Cb 0.71 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1tru h LEU 97 CO 0.05 0.09 -0.13 -0.08 0.09 0.00 0.00 178.44 178.46 1tru h GLU 98 N 0.26 -0.35 -0.82 1.13 4.81 -1.63 0.22 114.58 118.21 1tru h GLU 98 Ca 0.49 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.89 1tru h GLU 98 Cb 1.47 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.87 1tru h GLU 98 CO -0.14 -0.24 0.54 0.00 -0.73 0.00 0.00 179.01 178.44 1tru h ALA 99 N -1.70 1.95 -0.03 2.92 0.00 -1.56 -1.05 119.26 119.79 1tru h ALA 99 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1tru h ALA 99 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1tru h ALA 99 CO 0.06 -0.17 -0.05 1.15 0.00 0.00 0.00 179.25 180.25 1tru h THR 100 N 0.57 1.44 -0.96 0.00 2.02 -0.89 -2.78 112.91 112.31 1tru h THR 100 Ca 0.40 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 66.28 1tru h THR 100 Cb 0.75 2.29 -0.07 0.00 -1.74 0.00 0.00 68.15 69.39 1tru h THR 100 CO -0.16 0.37 0.61 0.40 0.37 0.00 0.00 175.52 177.11 1tru h ILE 101 N -0.46 1.07 0.00 3.11 2.04 0.12 0.47 117.51 123.86 1tru h ILE 101 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.62 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1tru h ILE 101 CO 0.01 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.54 0.00 -0.06 1.72 5.15 -0.46 -2.20 115.26 114.87 1tru n ASN 102 Ca 0.15 -0.50 -0.06 0.00 -0.60 0.00 0.00 54.58 53.57 1tru n ASN 102 Cb 0.19 -0.08 -0.05 0.00 -0.53 0.00 0.00 39.78 39.31 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1tru h GLU 103 N 0.00 0.00 -0.63 1.20 4.81 0.24 -3.35 114.58 116.85 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tru h GLU 103 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1tru h GLU 103 CO 0.00 0.39 0.00 1.28 -0.73 0.00 0.00 179.01 179.95 1tru n LEU 104 N -4.70 5.07 0.00 1.64 4.77 -1.19 -5.12 117.00 117.47 1tru n LEU 104 Ca -0.05 -2.57 0.06 0.00 -0.03 0.00 0.00 56.01 53.41 1tru n LEU 104 Cb 0.21 -0.64 0.33 0.00 -2.33 0.00 0.00 43.42 40.99 1tru n LEU 104 CO 0.13 0.65 0.55 0.55 -1.33 0.00 0.00 177.39 177.94