#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 -0.19 1.12 1.01 -1.26 -3.09 120.40 118.15 1tru s VAL 2 Ca 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 61.98 60.63 1tru s VAL 2 Cb 0.00 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 35.17 1tru s VAL 2 CO 0.00 -0.71 0.38 -0.75 0.00 0.00 0.00 175.10 174.02 1tru s LYS 3 N -3.64 0.29 -0.15 2.72 2.20 -1.16 -5.00 119.74 115.00 1tru s LYS 3 Ca 0.04 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.25 1tru s LYS 3 Cb 0.04 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1tru s LYS 3 CO -0.10 -0.32 0.99 -1.14 -0.36 0.00 0.00 175.35 174.42 1tru s GLN 4 N 2.56 4.36 -0.37 4.03 0.74 -1.26 -2.97 119.66 126.74 1tru s GLN 4 Ca 0.01 1.32 -0.22 0.00 0.05 0.00 0.00 55.36 56.52 1tru s GLN 4 Cb -0.13 -3.58 0.01 0.00 1.10 0.00 0.00 33.01 30.42 1tru s GLN 4 CO -0.12 -0.41 0.74 0.42 -0.55 0.00 0.00 175.29 175.37 1tru s ILE 5 N 2.37 4.77 -0.28 -2.34 -1.09 -1.20 -4.90 121.20 118.52 1tru s ILE 5 Ca 0.45 0.73 0.23 0.00 -2.23 0.00 0.00 60.65 59.83 1tru s ILE 5 Cb -0.17 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.54 1tru s ILE 5 CO 0.14 -0.44 1.09 -0.33 -1.23 0.00 0.00 174.94 174.17 1tru h GLU 6 N 8.54 0.00 -3.01 2.79 5.08 -1.94 -3.42 114.58 122.62 1tru h GLU 6 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 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 0.90 0.00 0.21 -1.54 -1.00 0.00 0.00 179.01 177.57 1tru s SER 7 N -5.29 -0.50 0.60 1.42 1.04 -1.26 -4.35 113.70 105.36 1tru s SER 7 Ca 0.00 -0.14 0.29 0.00 0.48 0.00 0.00 55.95 56.58 1tru s SER 7 Cb 0.10 0.62 1.54 0.00 0.10 0.00 0.00 66.02 68.38 1tru s SER 7 CO 0.78 -1.05 1.95 0.50 0.98 0.00 0.00 173.24 176.40 1tru h LYS 8 N 2.01 0.00 0.62 4.02 3.64 -1.93 -1.75 116.57 123.19 1tru h LYS 8 Ca -0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1tru h LYS 8 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 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 0.30 0.00 1.00 2.02 -2.01 -1.78 112.91 112.44 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 0.95 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1tru h THR 9 CO -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.56 1.26 0.27 6.16 0.00 -1.73 -2.82 119.26 121.84 1tru h ALA 10 Ca -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 10 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1tru h ALA 10 CO 0.11 0.07 -0.13 0.35 0.00 0.00 0.00 179.25 179.65 1tru h PHE 11 N 0.00 -0.34 0.29 0.00 3.57 -1.03 0.23 116.94 119.66 1tru h PHE 11 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 11 Cb 0.20 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1tru h PHE 11 CO 0.00 -0.16 -0.14 1.96 -2.23 0.00 0.00 178.31 177.74 1tru h GLN 12 N -0.43 -0.37 -0.10 1.11 4.20 -1.24 -2.33 115.11 115.95 1tru h GLN 12 Ca -0.04 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1tru h GLN 12 Cb 0.33 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1tru h GLN 12 CO 0.06 -0.14 0.09 0.93 -0.67 0.00 0.00 178.83 179.10 1tru h GLU 13 N -0.55 0.00 -0.35 1.46 5.08 -1.51 -1.47 114.58 117.24 1tru h GLU 13 Ca -0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1tru h GLU 13 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1tru h GLU 13 CO 0.06 0.00 -0.39 0.00 -1.00 0.00 0.00 179.01 177.68 1tru h ALA 14 N 1.92 0.52 -0.33 3.43 0.00 -0.10 -0.35 119.26 124.35 1tru h ALA 14 Ca 0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1tru h ALA 14 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1tru h ALA 14 CO -0.00 0.63 -0.28 -0.07 0.00 0.00 0.00 179.25 179.53 1tru h LEU 15 N 0.69 0.82 -0.46 0.00 3.38 -0.77 -0.63 115.31 118.34 1tru h LEU 15 Ca 0.05 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1tru h LEU 15 Cb 0.99 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1tru h LEU 15 CO 0.10 1.10 -0.17 -0.78 0.09 0.00 0.00 178.44 178.77 1tru h ASP 16 N 0.54 0.95 0.79 -0.43 1.82 -1.38 -2.63 116.42 116.09 1tru h ASP 16 Ca 0.06 -0.39 -0.05 0.00 -0.39 0.00 0.00 57.03 56.27 1tru h ASP 16 Cb 0.85 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1tru h ASP 16 CO 0.07 1.12 -0.23 0.00 -1.61 0.00 0.00 179.24 178.59 1tru h ALA 17 N 0.86 1.07 -0.05 -0.78 0.00 -1.00 -2.69 119.26 116.67 1tru h ALA 17 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1tru h ALA 17 Cb 0.74 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 17 CO 0.06 0.29 -0.08 0.00 0.00 0.00 0.00 179.25 179.51 1tru h ALA 18 N 1.77 1.77 0.00 0.00 0.00 -0.72 -3.48 119.26 118.61 1tru h ALA 18 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 18 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1tru h ALA 18 CO 0.03 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1tru n GLY 19 N -1.20 0.75 0.54 0.00 0.00 -1.02 -3.36 105.19 100.90 1tru n GLY 19 Ca -0.02 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 7.37 2.89 -4.83 1.61 8.00 -1.26 -3.80 116.55 126.53 1tru n ASP 20 Ca 0.00 -2.20 -0.31 0.00 0.71 0.00 0.00 54.79 52.99 1tru n ASP 20 Cb 0.00 -0.25 0.05 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.36 2.86 0.78 -1.24 1.02 -1.21 -4.80 119.74 115.78 1tru s LYS 21 Ca 0.22 0.81 -0.13 0.00 0.02 0.00 0.00 55.97 56.89 1tru s LYS 21 Cb 0.14 -1.99 0.07 0.00 -0.52 0.00 0.00 37.83 35.53 1tru s LYS 21 CO 0.11 -1.12 1.17 -1.17 -0.92 0.00 0.00 175.35 173.43 1tru s LEU 22 N -5.52 3.15 -0.31 3.17 0.20 -1.26 -4.56 118.68 113.55 1tru s LEU 22 Ca 0.58 2.23 0.00 0.00 0.69 0.00 0.00 54.13 57.64 1tru s LEU 22 Cb -0.13 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1tru s LEU 22 CO 0.54 -2.45 0.31 -0.69 -0.29 0.00 0.00 176.35 173.77 1tru s VAL 23 N -2.29 -0.37 -0.29 1.68 1.01 -0.96 -3.26 120.40 115.91 1tru s VAL 23 Ca 0.70 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 1tru s VAL 23 Cb -0.26 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1tru s VAL 23 CO 0.50 -0.51 0.23 -0.69 0.00 0.00 0.00 175.10 174.63 1tru s VAL 24 N 2.12 5.28 -0.11 2.92 1.01 -1.03 -0.26 120.40 130.33 1tru s VAL 24 Ca 0.11 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1tru s VAL 24 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1tru s VAL 24 CO -0.26 0.18 0.27 -0.69 0.00 0.00 0.00 175.10 174.60 1tru s VAL 25 N 1.81 5.29 -0.23 2.92 1.01 0.50 -2.33 120.40 129.38 1tru s VAL 25 Ca 0.08 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 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 0.51 -0.07 -0.62 0.00 0.00 0.00 175.10 175.02 1tru s ASP 26 N -0.37 4.14 -0.43 3.32 2.15 -0.84 -1.07 116.67 123.56 1tru s ASP 26 Ca 0.17 -0.67 -0.14 0.00 0.43 0.00 0.00 52.55 52.35 1tru s ASP 26 Cb -0.14 -1.67 0.05 0.00 -0.30 0.00 0.00 42.92 40.87 1tru s ASP 26 CO 0.06 -0.07 0.32 -0.36 -0.17 0.00 0.00 175.17 174.95 1tru s PHE 27 N 1.38 3.25 0.16 -5.34 0.08 0.42 -2.90 117.98 115.03 1tru s PHE 27 Ca 0.03 -0.89 -0.02 0.00 0.12 0.00 0.00 56.93 56.17 1tru s PHE 27 Cb -0.15 -2.86 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 1tru s PHE 27 CO -0.05 -0.72 0.12 -1.12 -0.10 0.00 0.00 175.22 173.35 1tru s SER 28 N 2.11 0.22 -0.59 1.36 0.01 -1.23 -1.79 113.70 113.78 1tru s SER 28 Ca 0.04 -1.20 -0.18 0.00 1.31 0.00 0.00 55.95 55.91 1tru s SER 28 Cb -0.22 0.35 0.11 0.00 0.21 0.00 0.00 66.02 66.47 1tru s SER 28 CO 0.07 -0.79 0.68 0.00 0.41 0.00 0.00 173.24 173.61 1tru s ALA 29 N -4.07 3.46 0.55 1.44 0.00 -1.26 -3.14 121.76 118.74 1tru s ALA 29 Ca 0.27 -2.30 0.24 0.00 0.00 0.00 0.00 51.96 50.18 1tru s ALA 29 Cb 0.07 -3.50 1.46 0.00 0.00 0.00 0.00 23.12 21.14 1tru s ALA 29 CO 0.05 -2.31 2.06 0.00 0.00 0.00 0.00 175.76 175.56 1tru h THR 30 N 5.90 0.70 0.00 0.00 1.03 -1.95 0.16 112.91 118.75 1tru h THR 30 Ca -0.28 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 65.96 1tru h THR 30 Cb 1.09 0.83 -0.02 0.00 -1.07 0.00 0.00 68.15 68.97 1tru h THR 30 CO 1.09 0.00 -0.73 4.11 -0.01 0.00 0.00 175.52 179.98 1tru h TRP 31 N 0.00 0.00 -3.90 0.00 5.08 -2.02 -3.45 115.95 111.65 1tru h TRP 31 Ca 0.14 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.64 1tru h TRP 31 Cb 0.61 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 26.93 1tru h TRP 31 CO 0.00 0.73 0.19 0.00 -1.28 0.00 0.00 178.44 178.08 1tru n GLY 33 N -0.66 -0.37 0.34 0.00 0.00 -1.26 -4.00 105.19 99.24 1tru n GLY 33 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 1tru n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tru h PRO 34 N 0.00 0.00 0.00 1.61 0.10 -1.96 -1.00 132.00 130.75 1tru h PRO 34 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 66.09 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 -0.10 0.00 0.10 0.00 0.00 178.00 178.00 1tru n LYS 36 N -4.65 0.06 0.12 0.00 4.81 -0.66 -2.05 118.16 115.79 1tru n LYS 36 Ca -0.08 0.28 0.11 0.00 -0.87 0.00 0.00 58.31 57.75 1tru n LYS 36 Cb 0.33 -1.50 0.48 0.00 0.02 0.00 0.00 35.03 34.36 1tru n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1tru n MET 37 N -1.40 0.16 -0.79 1.64 1.56 -0.47 -1.90 117.12 115.92 1tru n MET 37 Ca 0.03 0.46 0.04 0.00 -0.27 0.00 0.00 57.70 57.96 1tru n MET 37 Cb 0.09 -1.85 0.33 0.00 2.15 0.00 0.00 33.22 33.95 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1tru n ILE 38 N -2.16 2.39 0.05 1.12 5.41 -0.87 -4.32 119.36 120.98 1tru n ILE 38 Ca 0.01 -1.22 -0.02 0.00 1.00 0.00 0.00 62.75 62.53 1tru n ILE 38 Cb 0.18 -0.33 -0.07 0.00 -0.71 0.00 0.00 39.64 38.71 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 3.24 0.00 0.00 0.38 2.10 -1.61 -3.20 116.57 117.49 1tru h LYS 39 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1tru h LYS 39 Cb 1.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.15 1tru h LYS 39 CO 0.45 0.45 0.00 -0.35 -2.00 0.00 0.00 179.45 178.00 1tru n PRO 40 N -3.04 0.59 0.00 0.07 -0.05 -1.26 -2.47 135.00 128.84 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 0.86 -1.24 -0.00 0.00 -0.05 0.00 0.00 33.50 33.06 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 -0.74 0.00 0.39 0.54 3.72 -1.24 -4.35 117.46 115.77 1tru n PHE 41 Ca 0.07 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.32 1tru n PHE 41 Cb 0.03 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.01 -0.91 0.00 1.38 3.57 -1.65 -2.02 116.94 117.30 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 0.01 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1tru h PHE 42 CO -0.00 -0.56 0.00 1.58 -2.23 0.00 0.00 178.31 177.09 1tru n HIS 43 N -4.64 0.00 0.09 0.41 -0.00 -1.03 -1.82 115.22 108.23 1tru n HIS 43 Ca -0.12 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.09 1tru n HIS 43 Cb 0.39 -0.29 -0.02 0.00 -0.12 0.00 0.00 29.99 29.94 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 0.05 0.26 0.87 -1.27 -3.28 113.55 110.18 1tru h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tru h SER 44 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1tru h SER 44 CO 0.00 0.44 0.00 -0.07 -0.53 0.00 0.00 176.83 176.67 1tru h LEU 45 N 0.00 0.00 -2.07 2.23 3.38 -0.94 -1.64 115.31 116.27 1tru h LEU 45 Ca -0.08 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1tru h LEU 45 Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1tru h LEU 45 CO 0.04 0.00 0.17 0.28 0.09 0.00 0.00 178.44 179.03 1tru h SER 46 N 0.00 0.00 0.57 -0.43 0.02 -1.75 0.45 113.55 112.41 1tru h SER 46 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1tru h SER 46 Cb 0.02 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1tru h SER 46 CO 0.00 0.00 -1.61 -0.33 -1.14 0.00 0.00 176.83 173.75 1tru h GLU 47 N 0.00 0.00 0.00 3.45 5.08 -1.57 -3.37 114.58 118.17 1tru h GLU 47 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1tru h GLU 47 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1tru h GLU 47 CO -0.00 0.51 -0.55 -0.22 -1.00 0.00 0.00 179.01 177.75 1tru h LYS 48 N 0.00 0.00 -3.68 2.33 3.64 -1.34 -3.42 116.57 114.10 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 1.94 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.45 1tru h LYS 48 CO 0.08 0.81 -0.18 0.71 -2.27 0.00 0.00 179.45 178.61 1tru s TYR 49 N -2.21 3.55 -1.10 1.91 1.51 0.15 -4.89 117.35 116.26 1tru s TYR 49 Ca -0.21 -2.43 0.19 0.00 -1.01 0.00 0.00 57.07 53.61 1tru s TYR 49 Cb 0.01 -3.45 0.83 0.00 -0.11 0.00 0.00 41.96 39.25 1tru s TYR 49 CO 0.54 -0.90 1.59 -1.13 -1.11 0.00 0.00 175.55 174.54 1tru n SER 50 N 3.67 0.00 -2.20 2.29 3.41 -1.26 -2.95 113.62 116.58 1tru n SER 50 Ca 0.10 0.39 -0.24 0.00 -0.26 0.00 0.00 58.87 58.86 1tru n SER 50 Cb 0.41 -0.45 0.17 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.45 3.85 -4.01 4.04 5.15 -1.26 -4.49 115.26 117.09 1tru n ASN 51 Ca 0.06 -3.57 -0.20 0.00 -0.60 0.00 0.00 54.58 50.26 1tru n ASN 51 Cb 0.20 -0.83 -0.15 0.00 -0.53 0.00 0.00 39.78 38.46 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 -3.25 0.80 -0.33 3.44 1.01 -1.15 -4.71 120.40 116.20 1tru s VAL 52 Ca 0.56 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 1tru s VAL 52 Cb 0.47 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1tru s VAL 52 CO 0.10 0.25 0.30 -0.63 0.00 0.00 0.00 175.10 175.12 1tru s ILE 53 N 0.15 5.23 -0.18 2.22 -1.09 -1.20 -4.01 121.20 122.32 1tru s ILE 53 Ca -0.02 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 1tru s ILE 53 Cb -0.08 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1tru s ILE 53 CO 0.00 -0.01 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.32 1tru s PHE 54 N 1.89 3.04 -0.14 3.97 0.08 -1.18 -2.46 117.98 123.18 1tru s PHE 54 Ca 0.09 -0.37 -0.05 0.00 0.12 0.00 0.00 56.93 56.73 1tru s PHE 54 Cb -0.17 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1tru s PHE 54 CO 0.11 -0.13 0.02 -0.51 -0.10 0.00 0.00 175.22 174.62 1tru s LEU 55 N 0.66 3.64 -0.36 -0.37 1.02 -0.99 -2.96 118.68 119.32 1tru s LEU 55 Ca -0.01 0.09 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 1tru s LEU 55 Cb -0.14 -1.88 0.08 0.00 0.02 0.00 0.00 46.19 44.27 1tru s LEU 55 CO 0.02 0.26 0.12 -0.70 0.02 0.00 0.00 176.35 176.08 1tru s GLU 56 N -0.19 2.24 -0.15 1.70 2.12 -1.16 -2.00 118.70 121.27 1tru s GLU 56 Ca 0.06 -1.54 -0.06 0.00 0.36 0.00 0.00 54.97 53.79 1tru s GLU 56 Cb -0.12 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1tru s GLU 56 CO 0.02 -0.86 0.04 0.08 -0.54 0.00 0.00 175.26 173.99 1tru s VAL 57 N 1.22 4.60 -0.34 3.70 1.01 -1.14 -3.26 120.40 126.18 1tru s VAL 57 Ca 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1tru s VAL 57 Cb -0.21 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1tru s VAL 57 CO -0.02 0.51 0.40 -0.62 0.00 0.00 0.00 175.10 175.37 1tru s ASP 58 N 0.01 6.22 0.00 3.32 2.15 -1.26 -3.53 116.67 123.58 1tru s ASP 58 Ca 0.05 -0.13 0.02 0.00 0.43 0.00 0.00 52.55 52.92 1tru s ASP 58 Cb -0.12 -2.22 0.12 0.00 -0.30 0.00 0.00 42.92 40.40 1tru s ASP 58 CO 0.01 -0.36 0.42 1.33 -0.17 0.00 0.00 175.17 176.40 1tru n VAL 59 N 5.28 0.00 -0.06 1.11 0.24 -1.19 -1.06 118.33 122.66 1tru n VAL 59 Ca -0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.49 -0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 32.11 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 2.99 0.01 -1.34 9.92 -1.26 -4.29 116.55 121.83 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 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.35 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 -2.05 -2.24 1.82 -1.76 -3.37 116.42 109.22 1tru h ASP 61 Ca -0.26 -0.86 -0.74 0.00 -0.39 0.00 0.00 57.03 54.77 1tru h ASP 61 Cb 1.45 -0.13 -0.31 0.00 0.68 0.00 0.00 39.33 41.02 1tru h ASP 61 CO -0.03 1.66 0.62 0.00 -1.61 0.00 0.00 179.24 179.88 1tru n ALA 62 N -2.97 5.97 0.14 -0.78 0.00 -0.22 -4.75 120.51 117.90 1tru n ALA 62 Ca -0.26 -4.38 0.08 0.00 0.00 0.00 0.00 53.44 48.89 1tru n ALA 62 Cb 0.93 -1.72 0.45 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.34 0.11 -0.04 0.00 6.02 -1.26 -1.14 117.38 120.73 1tru n GLN 63 Ca 0.47 0.59 -0.17 0.00 -0.01 0.00 0.00 57.00 57.89 1tru n GLN 63 Cb 0.32 -1.92 -0.07 0.00 1.02 0.00 0.00 30.24 29.59 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 0.90 0.79 1.08 3.04 -1.93 -2.40 116.42 117.90 1tru h ASP 64 Ca 0.00 -0.61 -0.16 0.00 -3.24 0.00 0.00 57.03 53.02 1tru h ASP 64 Cb 0.14 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.14 1tru h ASP 64 CO 0.00 1.36 -0.77 0.58 -2.04 0.00 0.00 179.24 178.37 1tru h VAL 65 N 0.50 1.54 -0.39 4.15 2.07 -1.52 -2.59 116.25 120.01 1tru h VAL 65 Ca -0.03 -2.64 -0.08 0.00 0.82 0.00 0.00 66.70 64.76 1tru h VAL 65 Cb 1.30 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.49 1tru h VAL 65 CO 0.14 0.75 -0.08 0.00 0.02 0.00 0.00 177.57 178.40 1tru h ALA 66 N 1.23 0.54 -0.01 1.67 0.00 -1.44 0.55 119.26 121.80 1tru h ALA 66 Ca -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1tru h ALA 66 Cb 1.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1tru h ALA 66 CO 0.10 0.39 -0.01 1.03 0.00 0.00 0.00 179.25 180.76 1tru h SER 67 N 0.55 0.01 -0.43 0.00 0.87 -1.44 -2.77 113.55 110.36 1tru h SER 67 Ca 0.10 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1tru h SER 67 Cb 0.60 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1tru h SER 67 CO 0.04 0.51 0.20 -0.08 -0.53 0.00 0.00 176.83 176.96 1tru h GLU 68 N -0.48 0.67 0.00 2.24 4.22 -1.48 0.42 114.58 120.17 1tru h GLU 68 Ca 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1tru h GLU 68 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1tru h GLU 68 CO 0.00 0.55 0.00 0.00 -2.18 0.00 0.00 179.01 177.38 1tru n ALA 69 N -2.46 2.32 -2.91 2.92 0.00 0.18 -4.83 120.51 115.73 1tru n ALA 69 Ca 0.04 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1tru n ALA 69 Cb 0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.98 -2.84 -2.79 0.00 -0.58 0.14 -4.86 120.64 108.73 1tru n GLU 70 Ca 0.16 0.46 -0.43 0.00 -0.42 0.00 0.00 57.16 56.93 1tru n GLU 70 Cb 0.07 -5.09 -0.04 0.00 -0.57 0.00 0.00 31.44 25.81 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1tru s VAL 71 N -2.69 4.29 -0.17 2.62 1.01 -1.06 -4.83 120.40 119.57 1tru s VAL 71 Ca 0.20 0.29 0.17 0.00 0.00 0.00 0.00 61.98 62.64 1tru s VAL 71 Cb -0.11 -4.61 0.43 0.00 0.00 0.00 0.00 36.38 32.10 1tru s VAL 71 CO 0.24 -1.23 1.31 0.29 0.00 0.00 0.00 175.10 175.72 1tru n LYS 72 N 7.74 2.19 -3.31 2.72 5.02 -1.26 -4.86 118.16 126.39 1tru n LYS 72 Ca 0.02 -2.78 -0.11 0.00 -2.02 0.00 0.00 58.31 53.43 1tru n LYS 72 Cb 0.47 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tru s ALA 73 N -2.89 -1.06 0.20 7.82 0.00 -1.26 -5.15 121.76 119.42 1tru s ALA 73 Ca 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 1tru s ALA 73 Cb 0.32 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1tru s ALA 73 CO 0.06 -1.96 0.40 0.95 0.00 0.00 0.00 175.76 175.20 1tru s THR 74 N 2.02 5.19 0.57 0.00 -4.23 -1.26 -4.08 115.64 113.85 1tru s THR 74 Ca 0.13 -0.25 -0.16 0.00 -1.18 0.00 0.00 61.69 60.23 1tru s THR 74 Cb -0.12 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 1tru s THR 74 CO -0.17 -0.14 1.03 -2.16 -0.54 0.00 0.00 174.62 172.64 1tru s PRO 75 N -3.20 3.55 0.01 3.99 0.04 -1.26 -4.99 135.00 133.13 1tru s PRO 75 Ca 0.39 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1tru s PRO 75 Cb -0.11 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1tru s PRO 75 CO 0.28 -0.61 -0.03 0.99 0.04 0.00 0.00 177.00 177.67 1tru s THR 76 N -2.58 0.22 -0.16 1.26 2.01 -0.74 -3.21 115.64 112.44 1tru s THR 76 Ca 0.61 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1tru s THR 76 Cb -0.13 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.18 1tru s THR 76 CO 0.37 -0.07 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.75 1tru s PHE 77 N -0.39 2.16 0.01 4.92 0.08 -1.09 -0.43 117.98 123.24 1tru s PHE 77 Ca -0.02 -1.29 0.03 0.00 0.12 0.00 0.00 56.93 55.77 1tru s PHE 77 Cb -0.03 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1tru s PHE 77 CO -0.00 -0.68 -0.06 -0.65 -0.10 0.00 0.00 175.22 173.73 1tru s GLN 78 N 1.49 2.55 -0.30 0.44 -0.21 -0.23 -2.08 119.66 121.31 1tru s GLN 78 Ca 0.03 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.61 1tru s GLN 78 Cb -0.14 -2.51 0.02 0.00 1.00 0.00 0.00 33.01 31.38 1tru s GLN 78 CO -0.10 0.60 0.08 -0.06 -2.12 0.00 0.00 175.29 173.69 1tru s PHE 79 N -1.03 3.17 0.24 0.91 0.40 0.58 -0.37 117.98 121.88 1tru s PHE 79 Ca 0.18 -1.11 0.09 0.00 -0.60 0.00 0.00 56.93 55.49 1tru s PHE 79 Cb -0.11 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1tru s PHE 79 CO 0.09 -0.62 -0.02 -0.06 0.70 0.00 0.00 175.22 175.31 1tru s PHE 80 N 1.47 2.71 -0.20 0.36 0.08 0.65 -1.59 117.98 121.46 1tru s PHE 80 Ca 0.01 -0.21 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 1tru s PHE 80 Cb -0.18 -1.24 0.06 0.00 -0.57 0.00 0.00 43.02 41.10 1tru s PHE 80 CO 0.02 0.59 0.49 0.21 -0.10 0.00 0.00 175.22 176.43 1tru s LYS 81 N -3.43 0.49 -0.23 0.44 2.20 -0.52 -2.28 119.74 116.42 1tru s LYS 81 Ca 0.30 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1tru s LYS 81 Cb -0.07 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 1tru s LYS 81 CO 0.19 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.66 1tru n LYS 82 N 4.10 -1.87 -0.67 4.03 5.02 -1.25 0.92 118.16 128.44 1tru n LYS 82 Ca -0.21 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1tru n LYS 82 Cb 0.56 -4.12 0.00 0.00 -0.02 0.00 0.00 35.03 31.45 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 0.44 1.33 2.88 0.72 0.00 -1.26 -4.93 105.19 104.37 1tru n GLY 83 Ca -0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.89 1.09 -0.28 1.61 -0.21 0.26 -5.09 119.66 115.16 1tru s GLN 84 Ca 0.00 -0.13 -0.28 0.00 0.02 0.00 0.00 55.36 54.96 1tru s GLN 84 Cb 0.00 -1.17 -0.03 0.00 1.00 0.00 0.00 33.01 32.82 1tru s GLN 84 CO 0.00 -0.18 1.84 0.21 -2.12 0.00 0.00 175.29 175.04 1tru s LYS 85 N 1.38 3.42 -0.22 2.91 2.20 -1.26 -1.44 119.74 126.73 1tru s LYS 85 Ca -0.03 1.62 0.13 0.00 -0.36 0.00 0.00 55.97 57.33 1tru s LYS 85 Cb -0.13 -4.19 0.45 0.00 -1.51 0.00 0.00 37.83 32.45 1tru s LYS 85 CO -0.03 -1.75 1.35 1.33 -0.36 0.00 0.00 175.35 175.88 1tru n VAL 86 N 7.23 2.30 0.00 4.02 0.24 -0.62 -4.98 118.33 126.51 1tru n VAL 86 Ca 0.23 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 60.01 1tru n VAL 86 Cb 0.46 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1tru n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tru n GLY 87 N -1.04 3.72 3.58 7.63 0.00 -1.22 -4.97 105.19 112.89 1tru n GLY 87 Ca 0.24 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.33 0.50 -0.28 1.61 -1.05 -1.26 -0.30 118.70 115.59 1tru s GLU 88 Ca 0.00 -0.00 -0.22 0.00 -0.15 0.00 0.00 54.97 54.60 1tru s GLU 88 Cb 0.00 0.23 0.12 0.00 -0.44 0.00 0.00 34.13 34.04 1tru s GLU 88 CO 0.00 -0.18 0.95 -0.59 0.95 0.00 0.00 175.26 176.39 1tru s PHE 89 N -1.70 -0.59 -0.11 4.83 -0.12 -0.88 -4.99 117.98 114.42 1tru s PHE 89 Ca 0.03 1.35 -0.03 0.00 -0.05 0.00 0.00 56.93 58.23 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 -0.03 -0.29 0.01 -1.54 -0.05 0.00 0.00 175.22 173.32 1tru s SER 90 N 0.62 5.28 0.00 1.98 1.04 -1.26 -2.67 113.70 118.68 1tru s SER 90 Ca -0.01 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1tru s SER 90 Cb -0.05 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1tru s SER 90 CO -0.08 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1tru n GLY 91 N 2.52 4.19 2.13 7.32 0.00 -1.20 -4.97 105.19 115.19 1tru n GLY 91 Ca -0.18 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.38 6.85 -3.48 4.61 0.00 -1.26 -4.75 120.51 121.11 1tru n ALA 92 Ca 0.00 -2.52 -0.42 0.00 0.00 0.00 0.00 53.44 50.51 1tru n ALA 92 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 19.45 16.68 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 6.53 0.50 0.00 3.04 -1.26 -4.88 114.94 120.90 1tru s ASN 93 Ca 0.68 -3.36 0.16 0.00 0.04 0.00 0.00 52.86 50.37 1tru s ASN 93 Cb 0.27 -2.07 1.20 0.00 -1.54 0.00 0.00 41.25 39.10 1tru s ASN 93 CO -0.03 -0.32 2.10 0.07 -3.04 0.00 0.00 177.10 175.88 1tru h LYS 94 N 6.73 0.12 0.00 0.43 2.10 -1.98 0.33 116.57 124.30 1tru h LYS 94 Ca 0.13 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.72 1tru h LYS 94 Cb 0.90 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1tru h LYS 94 CO 0.87 0.08 -0.28 0.93 -2.00 0.00 0.00 179.45 179.05 1tru h GLU 95 N 0.13 0.00 -0.49 0.07 5.08 -1.99 -2.82 114.58 114.56 1tru h GLU 95 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1tru h GLU 95 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1tru h GLU 95 CO -0.01 0.28 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.89 1tru h LYS 96 N 0.00 0.96 -0.97 2.33 3.64 -1.33 -2.67 116.57 118.53 1tru h LYS 96 Ca -0.00 -0.37 0.26 0.00 -1.27 0.00 0.00 60.65 59.26 1tru h LYS 96 Cb 0.62 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 1tru h LYS 96 CO 0.04 1.04 0.67 -0.07 -2.27 0.00 0.00 179.45 178.86 1tru h LEU 97 N 0.84 0.20 0.20 5.20 3.38 -1.47 0.83 115.31 124.48 1tru h LEU 97 Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1tru h LEU 97 Cb 0.72 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1tru h LEU 97 CO 0.06 0.06 -0.09 -0.08 0.09 0.00 0.00 178.44 178.47 1tru h GLU 98 N 0.19 -0.25 -0.77 1.13 4.81 -1.59 0.25 114.58 118.34 1tru h GLU 98 Ca 0.49 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.89 1tru h GLU 98 Cb 1.61 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.00 1tru h GLU 98 CO -0.11 -0.17 0.51 0.00 -0.73 0.00 0.00 179.01 178.51 1tru h ALA 99 N -1.78 2.10 0.06 2.92 0.00 -1.52 -0.11 119.26 120.94 1tru h ALA 99 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1tru h ALA 99 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tru h ALA 99 CO 0.04 -0.31 -0.03 1.15 0.00 0.00 0.00 179.25 180.10 1tru h THR 100 N 0.43 1.24 -0.91 0.00 2.02 -0.84 -2.69 112.91 112.16 1tru h THR 100 Ca 0.38 -1.21 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1tru h THR 100 Cb 0.86 2.01 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 1tru h THR 100 CO -0.13 0.29 0.60 0.40 0.37 0.00 0.00 175.52 177.05 1tru h ILE 101 N -0.65 1.09 0.00 3.11 2.04 0.21 0.48 117.51 123.79 1tru h ILE 101 Ca -0.01 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.55 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 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 -4.48 0.00 -0.06 1.72 5.15 -0.12 -2.07 115.26 115.40 1tru n ASN 102 Ca 0.13 -0.38 -0.04 0.00 -0.60 0.00 0.00 54.58 53.70 1tru n ASN 102 Cb 0.17 -0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 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 -0.68 1.20 4.22 0.32 -3.35 114.58 116.29 1tru h GLU 103 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.34 1tru h GLU 103 Cb 0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 1tru h GLU 103 CO 0.00 0.25 0.12 1.28 -2.18 0.00 0.00 179.01 178.48 1tru n LEU 104 N -4.73 5.76 0.00 1.64 4.77 -1.20 -5.12 117.00 118.12 1tru n LEU 104 Ca -0.03 -2.96 0.06 0.00 -0.03 0.00 0.00 56.01 53.05 1tru n LEU 104 Cb 0.13 -0.71 0.33 0.00 -2.33 0.00 0.00 43.42 40.84 1tru n LEU 104 CO 0.09 0.69 0.55 0.55 -1.33 0.00 0.00 177.39 177.94