#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 -0.21 2.03 1.01 -1.26 -3.26 120.40 118.86 1tru s VAL 2 Ca 0.00 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 1tru s VAL 2 Cb 0.00 -1.25 0.10 0.00 0.00 0.00 0.00 36.38 35.24 1tru s VAL 2 CO 0.00 -0.69 0.39 -0.75 0.00 0.00 0.00 175.10 174.05 1tru s LYS 3 N -3.51 0.31 -0.13 2.72 2.20 -1.05 -4.99 119.74 115.30 1tru s LYS 3 Ca 0.02 0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 56.17 1tru s LYS 3 Cb 0.04 0.00 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1tru s LYS 3 CO -0.09 -0.40 1.01 -1.14 -0.36 0.00 0.00 175.35 174.37 1tru s GLN 4 N 2.57 4.39 -0.40 4.03 0.74 -1.26 -2.94 119.66 126.79 1tru s GLN 4 Ca 0.04 1.37 -0.22 0.00 0.05 0.00 0.00 55.36 56.60 1tru s GLN 4 Cb -0.13 -3.56 0.02 0.00 1.10 0.00 0.00 33.01 30.43 1tru s GLN 4 CO -0.13 -0.36 0.75 0.42 -0.55 0.00 0.00 175.29 175.41 1tru s ILE 5 N 2.20 4.73 -0.51 -2.34 -1.09 -1.22 -4.89 121.20 118.08 1tru s ILE 5 Ca 0.47 0.59 0.23 0.00 -2.23 0.00 0.00 60.65 59.72 1tru s ILE 5 Cb -0.18 -4.23 0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1tru s ILE 5 CO 0.16 -0.54 1.20 -0.33 -1.23 0.00 0.00 174.94 174.20 1tru h GLU 6 N 8.71 0.00 -2.92 2.79 5.08 -1.94 -3.43 114.58 122.87 1tru h GLU 6 Ca -0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1tru h GLU 6 Cb 1.09 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 1tru h GLU 6 CO 0.92 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.58 1tru s SER 7 N -4.56 -0.56 0.57 1.42 1.04 -1.26 -4.54 113.70 105.80 1tru s SER 7 Ca 0.04 0.06 0.28 0.00 0.48 0.00 0.00 55.95 56.81 1tru s SER 7 Cb 0.12 0.59 1.49 0.00 0.10 0.00 0.00 66.02 68.32 1tru s SER 7 CO 0.75 -0.93 1.97 0.50 0.98 0.00 0.00 173.24 176.51 1tru h LYS 8 N 2.12 0.00 0.29 4.02 3.64 -1.92 -1.33 116.57 123.39 1tru h LYS 8 Ca -0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1tru h LYS 8 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1tru h LYS 8 CO 0.38 0.00 -0.19 1.15 -2.27 0.00 0.00 179.45 178.53 1tru h THR 9 N 0.00 0.60 0.00 1.00 2.02 -2.01 -1.38 112.91 113.14 1tru h THR 9 Ca 0.21 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1tru h THR 9 Cb 1.01 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1tru h THR 9 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.81 1tru h ALA 10 N 0.21 1.39 -0.04 6.16 0.00 -1.66 -2.67 119.26 122.65 1tru h ALA 10 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 10 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tru h ALA 10 CO 0.02 0.09 0.02 0.35 0.00 0.00 0.00 179.25 179.74 1tru h PHE 11 N 0.00 0.06 0.51 0.00 3.57 -0.95 0.15 116.94 120.28 1tru h PHE 11 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.20 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1tru h PHE 11 CO 0.00 0.12 -0.24 1.96 -2.23 0.00 0.00 178.31 177.91 1tru h GLN 12 N -0.01 -0.66 -0.08 1.11 4.20 -1.16 -2.37 115.11 116.14 1tru h GLN 12 Ca 0.02 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1tru h GLN 12 Cb 0.07 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1tru h GLN 12 CO -0.00 -0.37 0.08 0.93 -0.67 0.00 0.00 178.83 178.79 1tru h GLU 13 N -0.85 0.00 -0.33 1.46 5.08 -1.52 -1.44 114.58 116.98 1tru h GLU 13 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1tru h GLU 13 Cb 0.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1tru h GLU 13 CO 0.11 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.69 1tru h ALA 14 N 1.92 0.59 -0.21 3.43 0.00 -0.30 -0.94 119.26 123.75 1tru h ALA 14 Ca 0.04 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1tru h ALA 14 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tru h ALA 14 CO -0.00 0.68 -0.17 -0.07 0.00 0.00 0.00 179.25 179.69 1tru h LEU 15 N 0.68 0.52 -1.18 0.00 3.38 -0.77 -2.14 115.31 115.80 1tru h LEU 15 Ca 0.04 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1tru h LEU 15 Cb 1.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1tru h LEU 15 CO 0.10 0.86 -0.36 -0.78 0.09 0.00 0.00 178.44 178.35 1tru h ASP 16 N 0.18 0.09 0.13 -0.43 3.58 -1.47 -2.63 116.42 115.86 1tru h ASP 16 Ca 0.04 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 1tru h ASP 16 Cb 0.70 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1tru h ASP 16 CO 0.04 0.45 -0.47 0.00 -2.88 0.00 0.00 179.24 176.38 1tru h ALA 17 N 1.56 0.90 -0.46 -0.78 0.00 -1.02 -2.89 119.26 116.57 1tru h ALA 17 Ca 0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tru h ALA 17 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1tru h ALA 17 CO 0.05 0.65 0.15 0.00 0.00 0.00 0.00 179.25 180.11 1tru h ALA 18 N 1.18 1.41 0.00 0.00 0.00 -1.01 -3.47 119.26 117.36 1tru h ALA 18 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.95 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tru h ALA 18 CO 0.08 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1tru n GLY 19 N -1.06 1.93 0.50 0.00 0.00 -1.09 -3.12 105.19 102.35 1tru n GLY 19 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.65 1tru n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tru n ASP 20 N 8.71 2.72 -4.83 1.61 2.03 -1.26 -3.75 116.55 121.78 1tru n ASP 20 Ca 0.00 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.00 1tru n ASP 20 Cb 0.00 -0.18 0.03 0.00 -0.72 0.00 0.00 41.12 40.24 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1tru s LYS 21 N -1.00 3.25 0.80 -0.67 1.02 -1.18 -4.85 119.74 117.10 1tru s LYS 21 Ca 0.18 0.95 -0.13 0.00 0.02 0.00 0.00 55.97 57.00 1tru s LYS 21 Cb 0.10 -2.03 0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1tru s LYS 21 CO 0.12 -0.85 1.16 -1.17 -0.92 0.00 0.00 175.35 173.70 1tru s LEU 22 N -5.15 3.12 -0.32 3.17 0.20 -1.26 -4.63 118.68 113.80 1tru s LEU 22 Ca 0.58 2.20 0.01 0.00 0.69 0.00 0.00 54.13 57.61 1tru s LEU 22 Cb -0.13 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1tru s LEU 22 CO 0.50 -2.49 0.31 -0.69 -0.29 0.00 0.00 176.35 173.69 1tru s VAL 23 N -2.37 -0.33 -0.29 1.68 1.01 -0.97 -2.95 120.40 116.17 1tru s VAL 23 Ca 0.69 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1tru s VAL 23 Cb -0.25 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1tru s VAL 23 CO 0.51 -0.56 0.23 -0.69 0.00 0.00 0.00 175.10 174.59 1tru s VAL 24 N 1.91 5.28 -0.12 2.92 1.01 -1.03 -0.24 120.40 130.13 1tru s VAL 24 Ca 0.13 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1tru s VAL 24 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1tru s VAL 24 CO -0.20 0.17 0.28 -0.69 0.00 0.00 0.00 175.10 174.66 1tru s VAL 25 N 1.80 5.29 -0.31 2.92 1.01 0.59 -2.55 120.40 129.15 1tru s VAL 25 Ca 0.08 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 1tru s VAL 25 Cb -0.16 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1tru s VAL 25 CO 0.11 0.47 0.09 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.13 5.21 -0.53 3.32 2.15 -0.78 -1.04 116.67 124.88 1tru s ASP 26 Ca 0.17 -0.89 -0.16 0.00 0.43 0.00 0.00 52.55 52.10 1tru s ASP 26 Cb -0.13 -1.88 0.11 0.00 -0.30 0.00 0.00 42.92 40.71 1tru s ASP 26 CO 0.05 -0.25 0.51 -0.36 -0.17 0.00 0.00 175.17 174.95 1tru s PHE 27 N 1.46 3.20 0.20 -5.34 0.08 0.14 -2.84 117.98 114.89 1tru s PHE 27 Ca 0.01 -1.10 -0.03 0.00 0.12 0.00 0.00 56.93 55.93 1tru s PHE 27 Cb -0.18 -3.64 -0.03 0.00 -0.57 0.00 0.00 43.02 38.60 1tru s PHE 27 CO 0.03 -1.00 0.18 -1.54 -0.10 0.00 0.00 175.22 172.79 1tru s SER 28 N 3.27 0.13 -0.55 1.36 1.04 -1.22 -1.70 113.70 116.03 1tru s SER 28 Ca 0.05 -1.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.04 1tru s SER 28 Cb -0.27 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.37 1tru s SER 28 CO 0.05 -0.88 0.56 0.00 0.98 0.00 0.00 173.24 173.95 1tru s ALA 29 N -4.11 3.55 0.55 5.32 0.00 -1.26 -3.14 121.76 122.66 1tru s ALA 29 Ca 0.33 -2.34 0.25 0.00 0.00 0.00 0.00 51.96 50.21 1tru s ALA 29 Cb 0.06 -3.33 1.46 0.00 0.00 0.00 0.00 23.12 21.30 1tru s ALA 29 CO 0.10 -2.09 2.04 0.00 0.00 0.00 0.00 175.76 175.81 1tru h THR 30 N 5.88 0.67 -0.03 0.00 1.03 -1.95 0.81 112.91 119.32 1tru h THR 30 Ca -0.29 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 65.88 1tru h THR 30 Cb 1.10 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.97 1tru h THR 30 CO 1.03 0.00 -0.91 4.11 -0.01 0.00 0.00 175.52 179.75 1tru h TRP 31 N 0.00 0.71 -3.24 0.00 5.08 -2.02 -3.45 115.95 113.03 1tru h TRP 31 Ca 0.17 -0.37 -0.47 0.00 1.08 0.00 0.00 58.89 59.30 1tru h TRP 31 Cb 0.75 -0.09 0.22 0.00 -3.00 0.00 0.00 29.16 27.04 1tru h TRP 31 CO 0.00 1.18 -0.27 0.00 -1.28 0.00 0.00 178.44 178.07 1tru n GLY 33 N 1.15 -0.39 0.35 0.00 0.00 -1.26 -3.89 105.19 101.15 1tru n GLY 33 Ca 0.05 0.00 0.16 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 0.04 1.61 0.11 -1.96 -0.18 132.00 131.62 1tru h PRO 34 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 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 -0.37 0.00 -0.21 0.00 0.00 178.00 177.42 1tru n LYS 36 N -4.45 0.04 0.12 0.00 4.81 -0.19 -2.04 118.16 116.45 1tru n LYS 36 Ca -0.14 0.38 0.11 0.00 -0.87 0.00 0.00 58.31 57.79 1tru n LYS 36 Cb 0.60 -1.59 0.48 0.00 0.02 0.00 0.00 35.03 34.54 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 -1.66 0.17 -0.86 1.64 1.56 -0.53 -2.27 117.12 115.17 1tru n MET 37 Ca 0.02 0.44 -0.03 0.00 -0.27 0.00 0.00 57.70 57.85 1tru n MET 37 Cb 0.12 -1.85 0.28 0.00 2.15 0.00 0.00 33.22 33.91 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 -2.18 2.53 0.05 1.12 5.41 -0.87 -4.32 119.36 121.09 1tru n ILE 38 Ca 0.02 -1.34 0.00 0.00 1.00 0.00 0.00 62.75 62.43 1tru n ILE 38 Cb 0.20 -0.40 -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 2.48 0.00 0.00 0.38 2.10 -1.68 -3.24 116.57 116.61 1tru h LYS 39 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1tru h LYS 39 Cb 2.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 1tru h LYS 39 CO 0.60 0.34 0.00 -0.35 -2.00 0.00 0.00 179.45 178.04 1tru n PRO 40 N -2.95 0.65 0.00 0.07 -0.04 -1.26 -2.76 135.00 128.70 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 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 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 -0.70 0.00 0.51 0.54 3.01 -1.24 -4.50 117.46 115.08 1tru n PHE 41 Ca 0.06 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.32 1tru n PHE 41 Cb 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.40 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1tru h PHE 42 N 0.00 -1.20 0.00 1.38 3.57 -1.68 -1.77 116.94 117.24 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 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1tru h PHE 42 CO 0.00 -0.74 0.00 1.58 -2.23 0.00 0.00 178.31 176.92 1tru n HIS 43 N -5.46 0.00 -0.03 0.41 -0.00 -1.11 -1.99 115.22 107.04 1tru n HIS 43 Ca -0.16 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.94 1tru n HIS 43 Cb 0.51 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.24 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 0.75 0.10 0.26 3.41 -0.69 -3.88 113.62 112.59 1tru n SER 44 Ca 0.07 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 1tru n SER 44 Cb 0.03 0.11 0.37 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.98 0.35 0.01 1.04 4.77 -0.84 -1.47 117.00 117.87 1tru n LEU 45 Ca -0.18 0.66 0.06 0.00 -0.03 0.00 0.00 56.01 56.52 1tru n LEU 45 Cb 1.04 -0.70 0.47 0.00 -2.33 0.00 0.00 43.42 41.90 1tru n LEU 45 CO 0.45 -0.78 1.16 0.28 -1.33 0.00 0.00 177.39 177.17 1tru h SER 46 N 0.00 0.39 0.58 -1.43 0.02 -1.75 0.60 113.55 111.96 1tru h SER 46 Ca 0.00 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1tru h SER 46 Cb 0.03 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1tru h SER 46 CO 0.00 0.27 -1.58 -0.33 -1.14 0.00 0.00 176.83 174.05 1tru h GLU 47 N 0.46 0.00 0.00 3.45 5.08 -1.54 -3.35 114.58 118.68 1tru h GLU 47 Ca 0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1tru h GLU 47 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1tru h GLU 47 CO -0.04 0.47 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.80 1tru h LYS 48 N 0.00 0.00 -3.49 2.33 3.64 -1.43 -3.41 116.57 114.21 1tru h LYS 48 Ca -0.24 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.41 1tru h LYS 48 Cb 1.90 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 33.39 1tru h LYS 48 CO 0.07 0.78 -0.02 0.71 -2.27 0.00 0.00 179.45 178.72 1tru s TYR 49 N -2.17 3.84 -1.56 1.91 2.02 0.20 -4.86 117.35 116.73 1tru s TYR 49 Ca -0.19 -2.75 0.17 0.00 -0.37 0.00 0.00 57.07 53.93 1tru s TYR 49 Cb 0.01 -3.43 0.88 0.00 -0.40 0.00 0.00 41.96 39.01 1tru s TYR 49 CO 0.53 -0.84 1.47 -1.13 -1.57 0.00 0.00 175.55 174.01 1tru n SER 50 N 2.89 0.00 -2.18 2.29 3.41 -1.26 -2.73 113.62 116.03 1tru n SER 50 Ca 0.18 -0.08 -0.25 0.00 -0.26 0.00 0.00 58.87 58.46 1tru n SER 50 Cb 0.39 -0.22 0.16 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.22 4.45 -4.00 4.04 4.05 -1.26 -4.30 115.26 117.02 1tru n ASN 51 Ca 0.09 -3.66 -0.17 0.00 0.45 0.00 0.00 54.58 51.29 1tru n ASN 51 Cb 0.12 -0.85 -0.14 0.00 1.23 0.00 0.00 39.78 40.13 1tru n ASN 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1tru s VAL 52 N -3.61 0.58 -0.36 3.44 1.01 -1.11 -4.70 120.40 115.66 1tru s VAL 52 Ca 0.58 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 62.07 1tru s VAL 52 Cb 0.48 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 36.37 1tru s VAL 52 CO 0.08 0.15 0.34 -0.63 0.00 0.00 0.00 175.10 175.04 1tru s ILE 53 N -0.21 5.19 -0.17 2.22 -1.09 -1.15 -3.29 121.20 122.70 1tru s ILE 53 Ca 0.02 -0.12 -0.05 0.00 -2.23 0.00 0.00 60.65 58.28 1tru s ILE 53 Cb -0.03 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1tru s ILE 53 CO -0.00 -0.13 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.20 1tru s PHE 54 N 1.94 3.06 -0.12 3.97 0.08 -1.20 -2.46 117.98 123.26 1tru s PHE 54 Ca 0.10 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 56.85 1tru s PHE 54 Cb -0.17 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1tru s PHE 54 CO 0.11 -0.06 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.64 1tru s LEU 55 N 0.54 3.37 -0.37 -0.37 1.02 -1.06 -2.54 118.68 119.28 1tru s LEU 55 Ca -0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 1tru s LEU 55 Cb -0.14 -1.78 0.08 0.00 0.02 0.00 0.00 46.19 44.37 1tru s LEU 55 CO 0.02 0.28 0.13 -0.70 0.02 0.00 0.00 176.35 176.10 1tru s GLU 56 N -0.30 2.20 -0.19 1.70 2.12 -1.15 -1.86 118.70 121.23 1tru s GLU 56 Ca 0.05 -1.57 -0.07 0.00 0.36 0.00 0.00 54.97 53.74 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 -0.88 0.05 0.08 -0.54 0.00 0.00 175.26 173.99 1tru s VAL 57 N 1.20 4.60 -0.30 3.70 1.01 -1.13 -3.41 120.40 126.07 1tru s VAL 57 Ca 0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 57 Cb -0.21 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1tru s VAL 57 CO -0.02 0.45 0.36 -0.62 0.00 0.00 0.00 175.10 175.27 1tru s ASP 58 N 0.50 6.20 0.00 3.32 2.15 -1.26 -3.40 116.67 124.19 1tru s ASP 58 Ca 0.02 0.04 0.02 0.00 0.43 0.00 0.00 52.55 53.06 1tru s ASP 58 Cb -0.13 -2.20 0.13 0.00 -0.30 0.00 0.00 42.92 40.42 1tru s ASP 58 CO 0.01 -0.25 0.43 1.33 -0.17 0.00 0.00 175.17 176.52 1tru n VAL 59 N 5.18 0.00 -0.06 1.11 0.24 -1.19 -0.92 118.33 122.70 1tru n VAL 59 Ca -0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.13 1tru n VAL 59 Cb 0.50 -0.64 -0.05 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.72 2.94 -0.03 -1.34 9.92 -1.26 -4.22 116.55 121.84 1tru n ASP 60 Ca 0.02 -0.04 -0.21 0.00 -0.53 0.00 0.00 54.79 54.03 1tru n ASP 60 Cb 0.01 -0.19 -0.13 0.00 -0.64 0.00 0.00 41.12 40.16 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 -0.03 0.24 -1.73 -2.24 3.58 -1.84 -3.37 116.42 111.04 1tru h ASP 61 Ca -0.26 -0.79 -0.73 0.00 0.42 0.00 0.00 57.03 55.68 1tru h ASP 61 Cb 1.38 -0.08 -0.30 0.00 1.72 0.00 0.00 39.33 42.06 1tru h ASP 61 CO -0.05 1.53 0.76 0.00 -2.88 0.00 0.00 179.24 178.60 1tru n ALA 62 N -3.04 6.28 0.09 -0.78 0.00 -0.09 -4.70 120.51 118.26 1tru n ALA 62 Ca -0.25 -4.02 0.06 0.00 0.00 0.00 0.00 53.44 49.22 1tru n ALA 62 Cb 0.80 -1.74 0.30 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.61 0.07 -0.03 0.00 10.64 -1.25 -0.77 117.38 125.43 1tru n GLN 63 Ca 0.54 0.54 -0.15 0.00 -1.83 0.00 0.00 57.00 56.10 1tru n GLN 63 Cb 0.38 -1.82 -0.03 0.00 -0.86 0.00 0.00 30.24 27.91 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 0.86 0.26 2.61 3.04 -1.92 -1.19 116.42 120.08 1tru h ASP 64 Ca 0.00 -0.51 -0.23 0.00 -3.24 0.00 0.00 57.03 53.05 1tru h ASP 64 Cb 0.16 -0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.20 1tru h ASP 64 CO 0.00 1.30 -0.93 0.58 -2.04 0.00 0.00 179.24 178.15 1tru h VAL 65 N 0.54 1.38 -0.19 4.15 2.07 -1.34 -2.74 116.25 120.11 1tru h VAL 65 Ca -0.02 -2.37 -0.09 0.00 0.82 0.00 0.00 66.70 65.04 1tru h VAL 65 Cb 1.27 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1tru h VAL 65 CO 0.14 0.71 -0.26 0.00 0.02 0.00 0.00 177.57 178.18 1tru h ALA 66 N 0.71 1.20 0.35 1.67 0.00 -1.45 0.13 119.26 121.87 1tru h ALA 66 Ca -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1tru h ALA 66 Cb 1.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1tru h ALA 66 CO 0.17 0.52 -0.17 0.66 0.00 0.00 0.00 179.25 180.43 1tru h SER 67 N 0.32 -0.40 -0.14 0.00 4.64 -1.17 -1.32 113.55 115.49 1tru h SER 67 Ca 0.05 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1tru h SER 67 Cb 0.64 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1tru h SER 67 CO 0.05 0.03 0.01 -0.08 -0.87 0.00 0.00 176.83 175.97 1tru h GLU 68 N -0.96 0.34 0.00 4.77 4.57 -1.47 -0.06 114.58 121.77 1tru h GLU 68 Ca -0.05 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1tru h GLU 68 Cb 0.52 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1tru h GLU 68 CO 0.08 0.37 0.00 0.00 -1.18 0.00 0.00 179.01 178.28 1tru n ALA 69 N -2.49 2.06 -3.59 2.92 0.00 0.47 -4.88 120.51 115.00 1tru n ALA 69 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1tru n ALA 69 Cb 0.19 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.37 1tru n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tru n GLU 70 N -1.36 -6.66 -2.76 0.00 2.13 -0.04 -4.90 120.64 107.05 1tru n GLU 70 Ca 0.08 0.77 -0.42 0.00 0.66 0.00 0.00 57.16 58.25 1tru n GLU 70 Cb 0.20 -5.71 -0.04 0.00 0.27 0.00 0.00 31.44 26.16 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1tru s VAL 71 N -3.39 4.15 -0.36 6.31 1.01 -0.56 -4.78 120.40 122.79 1tru s VAL 71 Ca 0.28 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1tru s VAL 71 Cb -0.13 -4.77 0.20 0.00 0.00 0.00 0.00 36.38 31.69 1tru s VAL 71 CO 0.76 -1.59 1.15 0.29 0.00 0.00 0.00 175.10 175.71 1tru n LYS 72 N 8.18 2.74 -3.31 2.72 4.76 -1.26 -4.87 118.16 127.12 1tru n LYS 72 Ca 0.00 -1.97 -0.11 0.00 -2.87 0.00 0.00 58.31 53.36 1tru n LYS 72 Cb 0.47 -1.25 -0.06 0.00 -1.84 0.00 0.00 35.03 32.35 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 -1.43 -1.07 0.22 7.82 0.00 -1.26 -5.15 121.76 120.89 1tru s ALA 73 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1tru s ALA 73 Cb 0.11 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1tru s ALA 73 CO 0.07 -2.06 0.43 0.95 0.00 0.00 0.00 175.76 175.14 1tru s THR 74 N 1.80 5.16 0.50 0.00 -4.23 -1.26 -4.06 115.64 113.55 1tru s THR 74 Ca 0.15 -0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 60.23 1tru s THR 74 Cb -0.12 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.11 -0.19 1.01 -2.16 -0.54 0.00 0.00 174.62 172.63 1tru s PRO 75 N -3.33 3.86 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.25 1tru s PRO 75 Ca 0.40 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1tru s PRO 75 Cb -0.11 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1tru s PRO 75 CO 0.29 -0.36 0.03 0.99 0.04 0.00 0.00 177.00 177.99 1tru s THR 76 N -2.25 0.05 -0.18 1.26 2.01 -0.69 -3.38 115.64 112.47 1tru s THR 76 Ca 0.64 0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.85 1tru s THR 76 Cb -0.13 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1tru s THR 76 CO 0.23 0.17 0.01 -0.36 -0.69 0.00 0.00 174.62 173.99 1tru s PHE 77 N 1.71 3.12 0.05 4.92 0.40 -1.13 -0.68 117.98 126.37 1tru s PHE 77 Ca -0.00 -0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.22 1tru s PHE 77 Cb -0.13 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 1tru s PHE 77 CO -0.03 -0.01 -0.18 -0.65 0.70 0.00 0.00 175.22 175.05 1tru s GLN 78 N 0.53 2.04 -0.33 0.44 -0.21 -0.20 -2.04 119.66 119.89 1tru s GLN 78 Ca -0.00 -1.00 -0.05 0.00 0.02 0.00 0.00 55.36 54.33 1tru s GLN 78 Cb -0.14 -2.18 0.04 0.00 1.00 0.00 0.00 33.01 31.74 1tru s GLN 78 CO 0.02 0.54 0.08 -0.06 -2.12 0.00 0.00 175.29 173.74 1tru s PHE 79 N -0.93 3.26 0.19 0.91 0.40 0.10 -0.30 117.98 121.61 1tru s PHE 79 Ca 0.15 -1.55 0.07 0.00 -0.60 0.00 0.00 56.93 55.00 1tru s PHE 79 Cb -0.10 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 1tru s PHE 79 CO 0.05 -0.75 0.05 -0.06 0.70 0.00 0.00 175.22 175.22 1tru s PHE 80 N 1.36 2.92 -0.20 0.36 0.08 0.67 -1.47 117.98 121.71 1tru s PHE 80 Ca -0.02 -0.12 -0.15 0.00 0.12 0.00 0.00 56.93 56.76 1tru s PHE 80 Cb -0.20 -1.38 0.06 0.00 -0.57 0.00 0.00 43.02 40.93 1tru s PHE 80 CO 0.02 0.53 0.51 0.21 -0.10 0.00 0.00 175.22 176.39 1tru s LYS 81 N -3.19 0.55 -0.02 0.44 2.20 -0.54 -2.30 119.74 116.87 1tru s LYS 81 Ca 0.29 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1tru s LYS 81 Cb -0.09 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1tru s LYS 81 CO 0.21 -0.11 0.00 1.63 -0.36 0.00 0.00 175.35 176.71 1tru n LYS 82 N 3.50 -1.99 -0.68 4.03 5.02 -1.25 0.81 118.16 127.61 1tru n LYS 82 Ca -0.18 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1tru n LYS 82 Cb 0.56 -4.08 0.00 0.00 -0.02 0.00 0.00 35.03 31.49 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 0.61 1.21 2.90 0.72 0.00 -1.26 -4.95 105.19 104.43 1tru n GLY 83 Ca -0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.81 1.04 -0.41 1.61 -0.21 0.24 -5.08 119.66 115.04 1tru s GLN 84 Ca 0.00 -0.15 -0.28 0.00 0.02 0.00 0.00 55.36 54.95 1tru s GLN 84 Cb 0.00 -1.04 -0.03 0.00 1.00 0.00 0.00 33.01 32.94 1tru s GLN 84 CO 0.00 -0.11 1.91 0.21 -2.12 0.00 0.00 175.29 175.18 1tru s LYS 85 N 1.08 3.01 -0.30 2.91 2.20 -1.26 -1.47 119.74 125.92 1tru s LYS 85 Ca -0.08 1.26 0.08 0.00 -0.36 0.00 0.00 55.97 56.87 1tru s LYS 85 Cb -0.14 -4.30 0.49 0.00 -1.51 0.00 0.00 37.83 32.37 1tru s LYS 85 CO -0.01 -2.24 1.44 1.33 -0.36 0.00 0.00 175.35 175.50 1tru n VAL 86 N 7.44 2.56 0.00 4.02 0.24 -0.54 -4.99 118.33 127.06 1tru n VAL 86 Ca 0.24 -2.95 0.00 0.00 -2.04 0.00 0.00 64.34 59.59 1tru n VAL 86 Cb 0.49 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.09 3.75 3.59 7.63 0.00 -1.19 -4.96 105.19 112.93 1tru n GLY 87 Ca 0.34 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.04 0.45 -0.28 1.61 -1.05 -1.26 0.00 118.70 116.13 1tru s GLU 88 Ca 0.00 0.07 -0.19 0.00 -0.15 0.00 0.00 54.97 54.70 1tru s GLU 88 Cb 0.00 0.21 0.12 0.00 -0.44 0.00 0.00 34.13 34.02 1tru s GLU 88 CO 0.00 -0.15 0.92 -0.59 0.95 0.00 0.00 175.26 176.40 1tru s PHE 89 N -1.26 -0.65 -0.14 4.83 -0.12 -0.87 -4.99 117.98 114.79 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 0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.02 -0.32 0.01 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 1.00 5.23 0.00 1.98 1.04 -1.26 -2.84 113.70 118.85 1tru s SER 90 Ca -0.05 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1tru s SER 90 Cb -0.04 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.33 1tru s SER 90 CO -0.12 0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1tru n GLY 91 N 3.06 3.87 2.13 7.32 0.00 -1.22 -4.97 105.19 115.37 1tru n GLY 91 Ca -0.18 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 6.85 -3.47 4.61 0.00 -1.26 -4.75 120.51 121.25 1tru n ALA 92 Ca 0.00 -2.51 -0.42 0.00 0.00 0.00 0.00 53.44 50.51 1tru n ALA 92 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 19.45 16.69 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 2.04 6.58 0.46 0.00 3.84 -1.26 -4.88 114.94 121.73 1tru s ASN 93 Ca 0.68 -3.37 0.12 0.00 0.21 0.00 0.00 52.86 50.50 1tru s ASN 93 Cb 0.27 -2.08 1.06 0.00 -0.55 0.00 0.00 41.25 39.95 1tru s ASN 93 CO -0.03 -0.32 2.10 0.07 -2.79 0.00 0.00 177.10 176.13 1tru h LYS 94 N 6.73 0.28 0.00 0.43 -0.00 -1.99 -0.10 116.57 121.92 1tru h LYS 94 Ca 0.14 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.65 60.72 1tru h LYS 94 Cb 0.90 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.06 1tru h LYS 94 CO 0.88 0.18 -0.23 0.93 -0.00 0.00 0.00 179.45 181.21 1tru h GLU 95 N 0.28 0.00 -0.49 0.07 3.07 -1.99 -2.79 114.58 112.73 1tru h GLU 95 Ca 0.08 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.83 1tru h GLU 95 Cb -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1tru h GLU 95 CO -0.02 0.23 -0.14 -0.22 -1.40 0.00 0.00 179.01 177.46 1tru h LYS 96 N 0.00 0.96 -0.99 2.33 3.64 -1.42 -2.83 116.57 118.26 1tru h LYS 96 Ca -0.00 -0.38 0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1tru h LYS 96 Cb 0.57 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 1tru h LYS 96 CO 0.03 1.04 0.62 -0.07 -2.27 0.00 0.00 179.45 178.80 1tru h LEU 97 N 0.82 0.70 0.51 5.20 3.38 -1.47 0.26 115.31 124.71 1tru h LEU 97 Ca 0.12 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1tru h LEU 97 Cb 0.70 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1tru h LEU 97 CO 0.05 0.25 -0.25 -0.08 0.09 0.00 0.00 178.44 178.50 1tru h GLU 98 N 0.68 -0.67 -0.78 1.13 4.81 -1.60 0.18 114.58 118.34 1tru h GLU 98 Ca 0.56 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.97 1tru h GLU 98 Cb 0.98 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1tru h GLU 98 CO -0.34 -0.44 0.51 0.00 -0.73 0.00 0.00 179.01 178.01 1tru h ALA 99 N -1.46 1.97 0.00 2.92 0.00 -1.39 -0.45 119.26 120.86 1tru h ALA 99 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tru h ALA 99 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tru h ALA 99 CO 0.12 -0.17 -0.00 1.15 0.00 0.00 0.00 179.25 180.35 1tru h THR 100 N 0.54 1.46 -0.94 0.00 2.02 -0.44 -2.79 112.91 112.77 1tru h THR 100 Ca 0.38 -1.37 0.06 0.00 0.77 0.00 0.00 66.41 66.25 1tru h THR 100 Cb 0.71 2.39 -0.06 0.00 -1.74 0.00 0.00 68.15 69.46 1tru h THR 100 CO -0.14 0.35 0.61 0.40 0.37 0.00 0.00 175.52 177.11 1tru h ILE 101 N -0.58 1.09 0.00 3.11 2.04 0.01 0.49 117.51 123.66 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 0.58 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1tru h ILE 101 CO 0.00 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1tru n ASN 102 N -4.48 0.00 -0.05 1.72 5.15 -0.23 -2.23 115.26 115.13 1tru n ASN 102 Ca 0.14 -0.55 -0.03 0.00 -0.60 0.00 0.00 54.58 53.54 1tru n ASN 102 Cb 0.17 -0.06 -0.03 0.00 -0.53 0.00 0.00 39.78 39.34 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 -0.67 1.20 4.57 0.27 -3.35 114.58 116.60 1tru h GLU 103 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1tru h GLU 103 Cb 0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1tru h GLU 103 CO 0.00 0.20 0.10 1.28 -1.18 0.00 0.00 179.01 179.41 1tru n LEU 104 N -4.74 5.68 0.00 1.64 4.77 -1.21 -5.12 117.00 118.01 1tru n LEU 104 Ca -0.02 -2.91 0.06 0.00 -0.03 0.00 0.00 56.01 53.11 1tru n LEU 104 Cb 0.11 -0.70 0.35 0.00 -2.33 0.00 0.00 43.42 40.84 1tru n LEU 104 CO 0.07 0.67 0.56 0.55 -1.33 0.00 0.00 177.39 177.92