#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 0.12 -0.22 2.03 1.01 -1.26 -3.85 120.40 118.23 1tru s VAL 2 Ca 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 1tru s VAL 2 Cb 0.00 -1.69 0.11 0.00 0.00 0.00 0.00 36.38 34.81 1tru s VAL 2 CO 0.00 -0.56 0.37 -0.75 0.00 0.00 0.00 175.10 174.15 1tru s LYS 3 N -3.95 0.31 -0.04 2.72 2.20 -1.08 -5.00 119.74 114.90 1tru s LYS 3 Ca 0.13 0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 1tru s LYS 3 Cb 0.06 -0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 1tru s LYS 3 CO -0.05 -0.52 0.96 -1.14 -0.36 0.00 0.00 175.35 174.25 1tru s GLN 4 N 2.54 4.50 -0.42 4.03 0.74 -1.26 -2.73 119.66 127.05 1tru s GLN 4 Ca 0.08 1.36 -0.23 0.00 0.05 0.00 0.00 55.36 56.62 1tru s GLN 4 Cb -0.14 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.50 1tru s GLN 4 CO -0.14 -0.13 0.76 0.42 -0.55 0.00 0.00 175.29 175.64 1tru s ILE 5 N 1.35 4.70 -0.40 -2.34 -1.09 -1.10 -4.89 121.20 117.44 1tru s ILE 5 Ca 0.49 0.51 0.23 0.00 -2.23 0.00 0.00 60.65 59.66 1tru s ILE 5 Cb -0.20 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1tru s ILE 5 CO 0.24 -0.61 1.14 -0.33 -1.23 0.00 0.00 174.94 174.14 1tru h GLU 6 N 8.82 0.00 -2.99 2.79 5.08 -1.94 -3.41 114.58 122.92 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 1.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.24 1tru h GLU 6 CO 0.93 0.00 0.22 -1.54 -1.00 0.00 0.00 179.01 177.62 1tru s SER 7 N -4.89 -0.50 0.61 1.42 1.04 -1.26 -4.38 113.70 105.74 1tru s SER 7 Ca 0.02 -0.14 0.29 0.00 0.48 0.00 0.00 55.95 56.60 1tru s SER 7 Cb 0.11 0.63 1.54 0.00 0.10 0.00 0.00 66.02 68.40 1tru s SER 7 CO 0.77 -1.05 1.93 0.50 0.98 0.00 0.00 173.24 176.37 1tru h LYS 8 N 2.00 0.00 0.73 4.02 3.64 -1.93 -1.64 116.57 123.39 1tru h LYS 8 Ca -0.30 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1tru h LYS 8 Cb 1.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.35 0.00 -0.36 1.15 -2.27 0.00 0.00 179.45 178.31 1tru h THR 9 N 0.00 0.26 0.00 1.00 2.02 -2.00 -2.00 112.91 112.19 1tru h THR 9 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1tru h THR 9 Cb 0.94 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1tru h THR 9 CO -0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.84 1tru h ALA 10 N -0.72 1.19 0.80 6.16 0.00 -1.71 -2.64 119.26 122.33 1tru h ALA 10 Ca -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1tru h ALA 10 Cb 0.77 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1tru h ALA 10 CO 0.16 0.05 -0.38 0.35 0.00 0.00 0.00 179.25 179.43 1tru h PHE 11 N 0.00 -0.99 -0.17 0.00 3.57 -1.05 0.23 116.94 118.53 1tru h PHE 11 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1tru h PHE 11 Cb 0.20 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1tru h PHE 11 CO 0.00 -0.61 0.06 1.96 -2.23 0.00 0.00 178.31 177.49 1tru h GLN 12 N -1.15 0.26 -0.53 1.11 1.08 -1.36 -1.94 115.11 112.58 1tru h GLN 12 Ca -0.11 -0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1tru h GLN 12 Cb 0.83 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.19 1tru h GLN 12 CO 0.18 0.37 0.35 0.93 -0.95 0.00 0.00 178.83 179.71 1tru h GLU 13 N 0.10 0.52 -0.29 1.46 5.08 -1.47 -0.72 114.58 119.26 1tru h GLU 13 Ca 0.06 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1tru h GLU 13 Cb 0.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1tru h GLU 13 CO -0.00 0.34 -0.44 0.00 -1.00 0.00 0.00 179.01 177.91 1tru h ALA 14 N 1.71 0.67 -0.12 3.43 0.00 -0.12 0.75 119.26 125.57 1tru h ALA 14 Ca 0.22 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1tru h ALA 14 Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1tru h ALA 14 CO -0.06 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 1tru h LEU 15 N 0.60 0.30 -0.61 0.00 3.38 -0.49 0.01 115.31 118.50 1tru h LEU 15 Ca 0.04 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1tru h LEU 15 Cb 1.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1tru h LEU 15 CO 0.10 0.69 -0.22 -0.78 0.09 0.00 0.00 178.44 178.32 1tru h ASP 16 N -0.10 0.88 0.67 -0.43 1.82 -1.18 -2.62 116.42 115.47 1tru h ASP 16 Ca 0.02 -0.32 -0.07 0.00 -0.39 0.00 0.00 57.03 56.27 1tru h ASP 16 Cb 0.60 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1tru h ASP 16 CO 0.03 1.07 -0.34 0.00 -1.61 0.00 0.00 179.24 178.38 1tru h ALA 17 N 1.00 1.11 -0.27 -0.78 0.00 -0.81 -2.75 119.26 116.77 1tru h ALA 17 Ca 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1tru h ALA 17 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1tru h ALA 17 CO 0.06 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.79 1tru h ALA 18 N 1.66 1.61 0.00 0.00 0.00 -0.59 -3.48 119.26 118.47 1tru h ALA 18 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1tru h ALA 18 Cb 0.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1tru h ALA 18 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1tru n GLY 19 N -1.17 1.16 0.56 0.00 0.00 -1.04 -3.34 105.19 101.36 1tru n GLY 19 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 7.49 2.94 -4.84 1.61 9.92 -1.26 -3.55 116.55 128.86 1tru n ASP 20 Ca 0.00 -2.26 -0.31 0.00 -0.53 0.00 0.00 54.79 51.69 1tru n ASP 20 Cb 0.00 -0.27 0.05 0.00 -0.64 0.00 0.00 41.12 40.26 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1tru s LYS 21 N -1.47 2.86 0.68 -1.24 1.02 -1.21 -4.79 119.74 115.60 1tru s LYS 21 Ca 0.24 0.74 -0.16 0.00 0.02 0.00 0.00 55.97 56.81 1tru s LYS 21 Cb 0.15 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1tru s LYS 21 CO 0.11 -1.10 1.21 -1.17 -0.92 0.00 0.00 175.35 173.48 1tru s LEU 22 N -5.49 3.43 -0.32 3.17 0.20 -1.26 -4.56 118.68 113.85 1tru s LEU 22 Ca 0.58 2.36 0.00 0.00 0.69 0.00 0.00 54.13 57.77 1tru s LEU 22 Cb -0.13 -4.59 0.14 0.00 -0.43 0.00 0.00 46.19 41.18 1tru s LEU 22 CO 0.54 -2.03 0.30 -0.69 -0.29 0.00 0.00 176.35 174.17 1tru s VAL 23 N -1.86 -0.32 -0.30 1.68 1.01 -1.07 -3.21 120.40 116.33 1tru s VAL 23 Ca 0.75 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1tru s VAL 23 Cb -0.30 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1tru s VAL 23 CO 0.42 -0.56 0.22 -0.69 0.00 0.00 0.00 175.10 174.48 1tru s VAL 24 N 2.00 5.29 -0.08 2.92 1.01 -1.08 -0.35 120.40 130.12 1tru s VAL 24 Ca 0.12 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1tru s VAL 24 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1tru s VAL 24 CO -0.23 0.15 0.29 -0.69 0.00 0.00 0.00 175.10 174.62 1tru s VAL 25 N 1.76 5.26 -0.27 2.92 1.01 0.40 -2.55 120.40 128.93 1tru s VAL 25 Ca 0.07 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1tru s VAL 25 Cb -0.16 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1tru s VAL 25 CO 0.11 0.55 0.00 -0.62 0.00 0.00 0.00 175.10 175.14 1tru s ASP 26 N -0.71 4.69 -0.48 3.32 2.15 -0.66 -1.20 116.67 123.78 1tru s ASP 26 Ca 0.19 -0.83 -0.16 0.00 0.43 0.00 0.00 52.55 52.19 1tru s ASP 26 Cb -0.14 -1.76 0.08 0.00 -0.30 0.00 0.00 42.92 40.80 1tru s ASP 26 CO 0.08 -0.16 0.42 -0.36 -0.17 0.00 0.00 175.17 174.98 1tru s PHE 27 N 1.39 3.23 0.20 -5.34 0.08 0.33 -2.66 117.98 115.21 1tru s PHE 27 Ca 0.01 -0.93 -0.04 0.00 0.12 0.00 0.00 56.93 56.09 1tru s PHE 27 Cb -0.17 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 1tru s PHE 27 CO -0.01 -0.83 0.20 -1.54 -0.10 0.00 0.00 175.22 172.93 1tru s SER 28 N 2.69 0.11 -0.53 1.36 1.04 -1.21 -1.63 113.70 115.53 1tru s SER 28 Ca 0.05 -1.25 -0.17 0.00 0.48 0.00 0.00 55.95 55.05 1tru s SER 28 Cb -0.24 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.39 1tru s SER 28 CO 0.07 -0.89 0.55 0.00 0.98 0.00 0.00 173.24 173.94 1tru s ALA 29 N -4.11 3.53 0.55 5.32 0.00 -1.26 -3.14 121.76 122.64 1tru s ALA 29 Ca 0.33 -2.24 0.24 0.00 0.00 0.00 0.00 51.96 50.29 1tru s ALA 29 Cb 0.05 -3.30 1.44 0.00 0.00 0.00 0.00 23.12 21.31 1tru s ALA 29 CO 0.10 -2.04 2.06 0.00 0.00 0.00 0.00 175.76 175.88 1tru h THR 30 N 5.86 0.71 0.00 0.00 1.03 -1.95 0.19 112.91 118.75 1tru h THR 30 Ca -0.29 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 65.96 1tru h THR 30 Cb 1.10 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1tru h THR 30 CO 1.01 0.00 -0.72 4.11 -0.01 0.00 0.00 175.52 179.91 1tru h TRP 31 N 0.00 0.00 -3.88 0.00 5.08 -2.02 -3.45 115.95 111.68 1tru h TRP 31 Ca 0.15 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.65 1tru h TRP 31 Cb 0.64 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 26.97 1tru h TRP 31 CO 0.00 0.72 0.18 0.00 -1.28 0.00 0.00 178.44 178.06 1tru n GLY 33 N -0.56 -0.37 0.34 0.00 0.00 -1.26 -3.98 105.19 99.37 1tru n GLY 33 Ca 0.06 0.00 0.15 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 0.11 -1.96 -0.51 132.00 131.26 1tru h PRO 34 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 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 -0.09 0.00 -0.21 0.00 0.00 178.00 177.70 1tru n LYS 36 N -4.67 0.11 0.18 0.00 4.81 -0.59 -2.08 118.16 115.91 1tru n LYS 36 Ca -0.07 0.22 0.13 0.00 -0.87 0.00 0.00 58.31 57.73 1tru n LYS 36 Cb 0.28 -1.50 0.59 0.00 0.02 0.00 0.00 35.03 34.42 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 -0.87 1.64 4.05 -1.16 -2.34 114.93 116.25 1tru h MET 37 Ca 0.00 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 1tru h MET 37 Cb 0.10 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 30.73 1tru h MET 37 CO 0.00 0.00 0.36 -0.89 0.23 0.00 0.00 176.91 176.61 1tru n ILE 38 N -2.46 2.70 0.04 1.77 5.41 -0.88 -4.35 119.36 121.59 1tru n ILE 38 Ca 0.01 -1.48 0.00 0.00 1.00 0.00 0.00 62.75 62.28 1tru n ILE 38 Cb 0.20 -0.46 -0.08 0.00 -0.71 0.00 0.00 39.64 38.59 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 1.78 0.00 0.00 0.38 2.10 -1.65 -3.26 116.57 115.92 1tru h LYS 39 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1tru h LYS 39 Cb 2.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.64 1tru h LYS 39 CO 0.76 0.30 0.00 -0.35 -2.00 0.00 0.00 179.45 178.16 1tru n PRO 40 N -2.91 0.65 0.00 0.07 -0.04 -1.26 -2.81 135.00 128.70 1tru n PRO 40 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1tru n PRO 40 Cb 0.83 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.75 0.00 0.49 0.54 3.72 -1.25 -4.50 117.46 115.71 1tru n PHE 41 Ca 0.08 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 1tru n PHE 41 Cb 0.04 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.48 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tru h PHE 42 N 0.00 -1.16 0.00 1.38 3.57 -1.68 -1.76 116.94 117.28 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 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1tru h PHE 42 CO 0.00 -0.72 0.00 1.58 -2.23 0.00 0.00 178.31 176.94 1tru n HIS 43 N -5.37 0.00 -0.03 0.41 -0.00 -1.12 -1.95 115.22 107.15 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 0.49 -0.01 -0.14 0.00 -0.12 0.00 0.00 29.99 30.22 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 -1.01 0.70 0.01 0.26 3.41 -0.69 -3.90 113.62 112.41 1tru n SER 44 Ca 0.06 0.33 0.01 0.00 -0.26 0.00 0.00 58.87 59.01 1tru n SER 44 Cb 0.03 0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.97 0.03 -0.12 1.04 4.77 -0.82 -1.79 117.00 117.13 1tru n LEU 45 Ca -0.19 0.51 0.04 0.00 -0.03 0.00 0.00 56.01 56.34 1tru n LEU 45 Cb 1.06 -0.52 0.35 0.00 -2.33 0.00 0.00 43.42 41.98 1tru n LEU 45 CO 0.44 -0.52 1.20 0.28 -1.33 0.00 0.00 177.39 177.47 1tru h SER 46 N 0.00 0.65 0.85 -1.43 0.02 -1.75 0.31 113.55 112.20 1tru h SER 46 Ca 0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1tru h SER 46 Cb 0.00 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1tru h SER 46 CO 0.00 0.45 -1.22 -0.33 -1.14 0.00 0.00 176.83 174.60 1tru h GLU 47 N 0.76 0.00 0.01 3.45 4.39 -1.65 -3.37 114.58 118.17 1tru h GLU 47 Ca 0.24 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.83 1tru h GLU 47 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1tru h GLU 47 CO -0.06 0.18 -0.57 -0.22 -1.16 0.00 0.00 179.01 177.18 1tru h LYS 48 N 0.00 0.02 -3.78 2.33 3.64 -1.45 -3.42 116.57 113.92 1tru h LYS 48 Ca -0.10 -0.03 -0.71 0.00 -1.27 0.00 0.00 60.65 58.54 1tru h LYS 48 Cb 1.35 0.01 -0.33 0.00 -0.41 0.00 0.00 32.23 32.85 1tru h LYS 48 CO 0.03 1.02 -0.32 0.71 -2.27 0.00 0.00 179.45 178.61 1tru s TYR 49 N -2.29 3.48 -1.11 1.91 1.51 0.10 -4.91 117.35 116.04 1tru s TYR 49 Ca -0.23 -2.52 0.18 0.00 -1.01 0.00 0.00 57.07 53.49 1tru s TYR 49 Cb 0.01 -3.31 0.81 0.00 -0.11 0.00 0.00 41.96 39.36 1tru s TYR 49 CO 0.66 -0.89 1.57 -1.13 -1.11 0.00 0.00 175.55 174.65 1tru n SER 50 N 3.78 0.00 -2.19 2.29 3.41 -1.26 -2.90 113.62 116.75 1tru n SER 50 Ca 0.06 0.38 -0.23 0.00 -0.26 0.00 0.00 58.87 58.82 1tru n SER 50 Cb 0.40 -0.44 0.18 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.44 3.78 -4.02 4.04 5.15 -1.26 -4.53 115.26 116.97 1tru n ASN 51 Ca 0.05 -3.55 -0.21 0.00 -0.60 0.00 0.00 54.58 50.28 1tru n ASN 51 Cb 0.19 -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 -3.19 0.84 -0.35 3.44 1.01 -1.14 -4.68 120.40 116.32 1tru s VAL 52 Ca 0.55 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1tru s VAL 52 Cb 0.46 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1tru s VAL 52 CO 0.11 0.26 0.26 -0.63 0.00 0.00 0.00 175.10 175.09 1tru s ILE 53 N 0.08 5.27 -0.20 2.22 -1.09 -1.20 -4.14 121.20 122.16 1tru s ILE 53 Ca -0.02 -0.26 -0.06 0.00 -2.23 0.00 0.00 60.65 58.09 1tru s ILE 53 Cb -0.08 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1tru s ILE 53 CO 0.00 -0.06 0.03 -0.36 -1.23 0.00 0.00 174.94 173.33 1tru s PHE 54 N 1.74 3.11 -0.12 3.97 0.08 -1.25 -2.62 117.98 122.88 1tru s PHE 54 Ca 0.06 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 1tru s PHE 54 Cb -0.18 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 1tru s PHE 54 CO 0.11 -0.11 -0.00 -0.51 -0.10 0.00 0.00 175.22 174.61 1tru s LEU 55 N 0.84 3.51 -0.33 -0.37 1.02 -1.05 -2.62 118.68 119.68 1tru s LEU 55 Ca 0.02 0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 1tru s LEU 55 Cb -0.14 -1.83 0.06 0.00 0.02 0.00 0.00 46.19 44.30 1tru s LEU 55 CO 0.02 0.28 0.06 -0.70 0.02 0.00 0.00 176.35 176.03 1tru s GLU 56 N -0.26 2.40 -0.17 1.70 2.12 -1.10 -1.65 118.70 121.73 1tru s GLU 56 Ca 0.06 -1.34 -0.06 0.00 0.36 0.00 0.00 54.97 53.99 1tru s GLU 56 Cb -0.12 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1tru s GLU 56 CO 0.02 -0.71 0.02 0.08 -0.54 0.00 0.00 175.26 174.12 1tru s VAL 57 N 1.27 4.37 -0.33 3.70 1.01 -1.09 -2.69 120.40 126.64 1tru s VAL 57 Ca -0.02 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 1tru s VAL 57 Cb -0.20 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1tru s VAL 57 CO -0.01 0.48 0.36 -0.62 0.00 0.00 0.00 175.10 175.31 1tru s ASP 58 N 0.36 6.19 0.00 3.32 2.15 -1.26 -3.33 116.67 124.10 1tru s ASP 58 Ca -0.00 -0.15 0.02 0.00 0.43 0.00 0.00 52.55 52.84 1tru s ASP 58 Cb -0.13 -2.20 0.10 0.00 -0.30 0.00 0.00 42.92 40.39 1tru s ASP 58 CO 0.01 -0.31 0.36 1.33 -0.17 0.00 0.00 175.17 176.40 1tru n VAL 59 N 5.23 0.00 -0.04 1.11 0.24 -1.19 -1.10 118.33 122.58 1tru n VAL 59 Ca -0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.55 -0.04 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.64 3.33 0.03 -1.34 9.92 -1.26 -4.40 116.55 122.18 1tru n ASP 60 Ca 0.01 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.09 -0.14 0.00 -0.64 0.00 0.00 41.12 40.26 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 0.45 -2.02 -2.24 3.58 -1.82 -3.37 116.42 111.00 1tru h ASP 61 Ca -0.19 -0.89 -0.75 0.00 0.42 0.00 0.00 57.03 55.62 1tru h ASP 61 Cb 1.31 -0.15 -0.30 0.00 1.72 0.00 0.00 39.33 41.91 1tru h ASP 61 CO -0.03 1.72 0.75 0.00 -2.88 0.00 0.00 179.24 178.81 1tru n ALA 62 N -2.96 6.14 0.12 -0.78 0.00 -0.25 -4.73 120.51 118.05 1tru n ALA 62 Ca -0.27 -4.30 0.07 0.00 0.00 0.00 0.00 53.44 48.95 1tru n ALA 62 Cb 0.98 -1.80 0.39 0.00 0.00 0.00 0.00 19.45 19.02 1tru n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tru n GLN 63 N -0.40 0.09 -0.03 0.00 6.02 -1.26 -1.10 117.38 120.71 1tru n GLN 63 Ca 0.49 0.57 -0.17 0.00 -0.01 0.00 0.00 57.00 57.89 1tru n GLN 63 Cb 0.30 -1.89 -0.08 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 0.82 0.94 1.08 2.03 -1.94 -2.78 116.42 116.57 1tru h ASP 64 Ca 0.00 -0.63 -0.10 0.00 -0.73 0.00 0.00 57.03 55.57 1tru h ASP 64 Cb 0.16 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 1tru h ASP 64 CO 0.00 1.32 -0.48 0.58 -1.03 0.00 0.00 179.24 179.62 1tru h VAL 65 N 0.37 1.02 -0.46 4.15 2.07 -1.49 -2.73 116.25 119.19 1tru h VAL 65 Ca -0.04 -1.88 -0.09 0.00 0.82 0.00 0.00 66.70 65.51 1tru h VAL 65 Cb 1.30 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1tru h VAL 65 CO 0.14 0.47 -0.07 0.00 0.02 0.00 0.00 177.57 178.13 1tru h ALA 66 N 1.52 0.62 -0.17 1.67 0.00 -1.43 0.49 119.26 121.97 1tru h ALA 66 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1tru h ALA 66 Cb 1.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1tru h ALA 66 CO 0.06 0.48 -0.17 1.03 0.00 0.00 0.00 179.25 180.65 1tru h SER 67 N 0.69 0.45 -0.33 0.00 0.87 -1.44 0.48 113.55 114.27 1tru h SER 67 Ca 0.12 -0.48 -0.01 0.00 -1.23 0.00 0.00 61.79 60.19 1tru h SER 67 Cb 0.60 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1tru h SER 67 CO 0.04 0.84 0.16 -0.08 -0.53 0.00 0.00 176.83 177.26 1tru h GLU 68 N 0.06 0.48 0.00 2.24 4.57 -1.43 -1.40 114.58 119.10 1tru h GLU 68 Ca 0.03 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1tru h GLU 68 Cb 0.71 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1tru h GLU 68 CO 0.04 0.43 0.00 0.00 -1.18 0.00 0.00 179.01 178.31 1tru n ALA 69 N -2.25 1.92 -3.59 2.92 0.00 0.16 -4.89 120.51 114.78 1tru n ALA 69 Ca -0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1tru n ALA 69 Cb 0.10 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.72 -6.46 -2.81 0.00 2.13 0.08 -4.91 120.64 106.95 1tru n GLU 70 Ca 0.04 0.76 -0.43 0.00 0.66 0.00 0.00 57.16 58.20 1tru n GLU 70 Cb 0.26 -5.68 -0.04 0.00 0.27 0.00 0.00 31.44 26.25 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 -3.41 4.46 -0.06 6.31 1.01 -0.70 -4.83 120.40 123.18 1tru s VAL 71 Ca 0.22 0.75 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1tru s VAL 71 Cb -0.10 -4.44 0.13 0.00 0.00 0.00 0.00 36.38 31.96 1tru s VAL 71 CO 0.76 -0.85 1.05 0.29 0.00 0.00 0.00 175.10 176.35 1tru n LYS 72 N 7.20 2.01 -3.31 2.72 4.76 -1.26 -4.90 118.16 125.38 1tru n LYS 72 Ca 0.06 -1.91 -0.11 0.00 -2.87 0.00 0.00 58.31 53.48 1tru n LYS 72 Cb 0.48 -1.18 -0.06 0.00 -1.84 0.00 0.00 35.03 32.44 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 -1.75 -1.08 0.23 7.82 0.00 -1.26 -5.15 121.76 120.58 1tru s ALA 73 Ca 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1tru s ALA 73 Cb 0.12 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1tru s ALA 73 CO 0.01 -2.12 0.46 0.95 0.00 0.00 0.00 175.76 175.07 1tru s THR 74 N 1.68 5.12 0.46 0.00 -4.23 -1.26 -4.03 115.64 113.38 1tru s THR 74 Ca 0.16 -0.14 -0.21 0.00 -1.18 0.00 0.00 61.69 60.32 1tru s THR 74 Cb -0.12 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.08 -0.22 1.00 -2.16 -0.54 0.00 0.00 174.62 172.63 1tru s PRO 75 N -3.36 4.00 -0.03 3.99 0.04 -1.26 -5.02 135.00 133.36 1tru s PRO 75 Ca 0.41 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1tru s PRO 75 Cb -0.11 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1tru s PRO 75 CO 0.29 -0.25 0.02 0.99 0.04 0.00 0.00 177.00 178.09 1tru s THR 76 N -2.04 0.08 -0.13 1.26 2.01 -0.65 -3.43 115.64 112.74 1tru s THR 76 Ca 0.64 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.80 1tru s THR 76 Cb -0.14 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1tru s THR 76 CO 0.17 0.15 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.86 1tru s PHE 77 N 1.32 3.05 0.01 4.92 0.40 -1.08 -0.51 117.98 126.09 1tru s PHE 77 Ca -0.06 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.20 1tru s PHE 77 Cb -0.13 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1tru s PHE 77 CO -0.03 0.11 -0.23 -0.65 0.70 0.00 0.00 175.22 175.12 1tru s GLN 78 N 0.01 1.77 -0.30 0.44 -0.21 -0.34 -1.95 119.66 119.08 1tru s GLN 78 Ca 0.01 -0.91 -0.08 0.00 0.02 0.00 0.00 55.36 54.40 1tru s GLN 78 Cb -0.13 -1.79 -0.00 0.00 1.00 0.00 0.00 33.01 32.08 1tru s GLN 78 CO 0.02 0.48 0.11 -0.06 -2.12 0.00 0.00 175.29 173.72 1tru s PHE 79 N -0.65 3.15 0.28 0.91 0.40 0.87 -0.46 117.98 122.49 1tru s PHE 79 Ca 0.09 -0.77 0.09 0.00 -0.60 0.00 0.00 56.93 55.74 1tru s PHE 79 Cb -0.09 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1tru s PHE 79 CO 0.00 -0.51 0.02 -0.06 0.70 0.00 0.00 175.22 175.37 1tru s PHE 80 N 1.55 2.71 -0.19 0.36 0.08 0.53 -1.78 117.98 121.23 1tru s PHE 80 Ca 0.04 -0.25 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 1tru s PHE 80 Cb -0.17 -1.28 0.07 0.00 -0.57 0.00 0.00 43.02 41.07 1tru s PHE 80 CO 0.04 0.57 0.46 0.21 -0.10 0.00 0.00 175.22 176.40 1tru s LYS 81 N -3.71 0.43 -0.14 0.44 2.47 -0.48 -2.60 119.74 116.15 1tru s LYS 81 Ca 0.32 0.90 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 1tru s LYS 81 Cb -0.06 0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 1tru s LYS 81 CO 0.20 -0.17 0.00 1.63 0.16 0.00 0.00 175.35 177.17 1tru n LYS 82 N 4.47 -1.92 -0.37 4.03 5.02 -1.23 0.78 118.16 128.94 1tru n LYS 82 Ca -0.20 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1tru n LYS 82 Cb 0.55 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 31.42 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 0.53 1.40 2.91 0.72 0.00 -1.26 -4.91 105.19 104.59 1tru n GLY 83 Ca -0.01 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1tru n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tru s GLN 84 N -1.28 1.37 -0.41 1.61 -0.21 0.23 -5.08 119.66 115.88 1tru s GLN 84 Ca 0.00 -0.23 -0.28 0.00 0.02 0.00 0.00 55.36 54.88 1tru s GLN 84 Cb 0.00 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.61 1tru s GLN 84 CO 0.00 -0.18 1.93 0.21 -2.12 0.00 0.00 175.29 175.13 1tru s LYS 85 N 1.40 2.97 -0.30 2.91 2.20 -1.26 -1.38 119.74 126.27 1tru s LYS 85 Ca -0.02 1.27 0.08 0.00 -0.36 0.00 0.00 55.97 56.94 1tru s LYS 85 Cb -0.13 -4.31 0.48 0.00 -1.51 0.00 0.00 37.83 32.35 1tru s LYS 85 CO -0.04 -2.29 1.41 1.33 -0.36 0.00 0.00 175.35 175.40 1tru n VAL 86 N 7.47 2.57 0.00 4.02 0.24 -0.74 -4.99 118.33 126.90 1tru n VAL 86 Ca 0.25 -3.17 0.00 0.00 -2.04 0.00 0.00 64.34 59.37 1tru n VAL 86 Cb 0.49 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 -1.03 3.90 3.58 7.63 0.00 -1.21 -4.96 105.19 113.10 1tru n GLY 87 Ca 0.35 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.13 0.50 -0.28 1.61 -1.05 -1.26 -0.09 118.70 115.99 1tru s GLU 88 Ca 0.00 0.01 -0.23 0.00 -0.15 0.00 0.00 54.97 54.60 1tru s GLU 88 Cb 0.00 0.23 0.11 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 -1.63 -0.58 -0.13 4.83 -0.12 -0.82 -4.98 117.98 114.54 1tru s PHE 89 Ca 0.03 1.35 -0.02 0.00 -0.05 0.00 0.00 56.93 58.24 1tru s PHE 89 Cb -0.01 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1tru s PHE 89 CO -0.03 -0.28 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.27 1tru s SER 90 N 0.48 4.67 0.00 1.98 1.04 -1.26 -2.62 113.70 117.99 1tru s SER 90 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1tru s SER 90 Cb -0.05 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.47 1tru s SER 90 CO -0.07 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1tru n GLY 91 N 3.16 3.66 1.87 7.32 0.00 -1.22 -4.97 105.19 115.00 1tru n GLY 91 Ca -0.18 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.08 5.61 -3.19 4.61 0.00 -1.26 -4.66 120.51 120.53 1tru n ALA 92 Ca 0.00 -1.33 -0.41 0.00 0.00 0.00 0.00 53.44 51.70 1tru n ALA 92 Cb 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 2.03 5.73 0.21 0.00 4.05 -1.26 -4.84 115.26 121.19 1tru n ASN 93 Ca 0.30 -3.29 0.13 0.00 0.45 0.00 0.00 54.58 52.16 1tru n ASN 93 Cb 0.76 -1.22 0.73 0.00 1.23 0.00 0.00 39.78 41.28 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 5.68 0.00 0.00 1.20 -0.00 -1.98 0.46 116.57 121.93 1tru h LYS 94 Ca 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.77 1tru h LYS 94 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.92 1tru h LYS 94 CO 1.16 0.00 -0.35 0.93 -0.00 0.00 0.00 179.45 181.19 1tru h GLU 95 N 0.00 0.00 0.00 0.07 5.08 -1.99 -2.40 114.58 115.34 1tru h GLU 95 Ca 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1tru h GLU 95 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1tru h GLU 95 CO -0.00 0.35 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.84 1tru h LYS 96 N 0.00 0.00 -1.00 2.33 3.64 -1.30 -2.94 116.57 117.29 1tru h LYS 96 Ca -0.00 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1tru h LYS 96 Cb 0.68 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 1tru h LYS 96 CO 0.05 0.30 0.61 -0.07 -2.27 0.00 0.00 179.45 178.07 1tru h LEU 97 N 0.00 0.78 -0.05 5.20 3.38 -1.43 -0.80 115.31 122.39 1tru h LEU 97 Ca -0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1tru h LEU 97 Cb 0.66 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1tru h LEU 97 CO 0.04 0.26 0.01 -0.08 0.09 0.00 0.00 178.44 178.75 1tru h GLU 98 N 0.75 0.09 -0.55 1.13 4.81 -1.68 0.24 114.58 119.37 1tru h GLU 98 Ca 0.59 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.86 1tru h GLU 98 Cb 0.93 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1tru h GLU 98 CO -0.39 0.34 0.23 0.00 -0.73 0.00 0.00 179.01 178.46 1tru h ALA 99 N 0.75 0.70 -0.16 2.92 0.00 -1.31 0.11 119.26 122.26 1tru h ALA 99 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1tru h ALA 99 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1tru h ALA 99 CO 0.00 -0.15 -0.32 1.15 0.00 0.00 0.00 179.25 179.93 1tru h THR 100 N 0.44 1.35 -0.93 0.00 2.02 -1.14 -3.05 112.91 111.61 1tru h THR 100 Ca 0.26 -1.57 0.06 0.00 0.77 0.00 0.00 66.41 65.93 1tru h THR 100 Cb 0.25 1.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 1tru h THR 100 CO -0.23 0.47 0.60 0.40 0.37 0.00 0.00 175.52 177.14 1tru h ILE 101 N 0.14 1.07 0.00 3.11 2.04 -0.11 0.51 117.51 124.28 1tru h ILE 101 Ca 0.01 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1tru h ILE 101 Cb 0.92 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1tru h ILE 101 CO 0.07 0.19 0.00 -3.20 0.00 0.00 0.00 178.15 175.22 1tru n ASN 102 N -4.49 0.00 -0.05 1.72 5.15 -0.01 -2.07 115.26 115.51 1tru n ASN 102 Ca 0.14 -0.35 -0.03 0.00 -0.60 0.00 0.00 54.58 53.74 1tru n ASN 102 Cb 0.19 -0.13 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 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 -0.72 1.20 4.81 0.15 -3.35 114.58 116.66 1tru h GLU 103 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1tru h GLU 103 Cb 0.09 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.38 1tru h GLU 103 CO 0.00 0.18 0.19 1.28 -0.73 0.00 0.00 179.01 179.92 1tru n LEU 104 N -4.75 5.83 0.00 1.64 4.77 -1.20 -5.13 117.00 118.16 1tru n LEU 104 Ca -0.02 -3.01 0.05 0.00 -0.03 0.00 0.00 56.01 53.01 1tru n LEU 104 Cb 0.09 -0.72 0.32 0.00 -2.33 0.00 0.00 43.42 40.78 1tru n LEU 104 CO 0.06 0.73 0.54 0.55 -1.33 0.00 0.00 177.39 177.94