#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 -0.21 3.17 1.01 -1.26 -3.43 120.40 119.84 1tru s VAL 2 Ca 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 1tru s VAL 2 Cb 0.00 -1.35 0.11 0.00 0.00 0.00 0.00 36.38 35.13 1tru s VAL 2 CO 0.00 -0.73 0.38 -0.75 0.00 0.00 0.00 175.10 174.00 1tru s LYS 3 N -3.79 0.31 -0.08 2.72 2.20 -1.04 -4.99 119.74 115.06 1tru s LYS 3 Ca 0.05 0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 56.16 1tru s LYS 3 Cb 0.05 -0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1tru s LYS 3 CO -0.10 -0.42 0.96 -1.14 -0.36 0.00 0.00 175.35 174.28 1tru s GLN 4 N 2.56 4.44 -0.42 4.03 0.74 -1.26 -2.82 119.66 126.93 1tru s GLN 4 Ca 0.05 1.32 -0.23 0.00 0.05 0.00 0.00 55.36 56.54 1tru s GLN 4 Cb -0.13 -3.52 0.02 0.00 1.10 0.00 0.00 33.01 30.48 1tru s GLN 4 CO -0.13 -0.22 0.77 0.42 -0.55 0.00 0.00 175.29 175.57 1tru s ILE 5 N 1.68 4.69 -0.57 -2.34 -1.09 -1.19 -4.89 121.20 117.49 1tru s ILE 5 Ca 0.47 0.54 0.24 0.00 -2.23 0.00 0.00 60.65 59.67 1tru s ILE 5 Cb -0.19 -4.27 0.01 0.00 -1.58 0.00 0.00 42.46 36.43 1tru s ILE 5 CO 0.20 -0.62 1.23 -0.33 -1.23 0.00 0.00 174.94 174.19 1tru h GLU 6 N 8.82 0.00 -2.86 2.79 5.08 -1.94 -3.43 114.58 123.03 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 30.21 1tru h GLU 6 CO 0.94 0.00 0.18 -1.54 -1.00 0.00 0.00 179.01 177.58 1tru s SER 7 N -4.35 -0.55 0.57 1.42 1.04 -1.26 -4.52 113.70 106.05 1tru s SER 7 Ca 0.05 0.10 0.28 0.00 0.48 0.00 0.00 55.95 56.85 1tru s SER 7 Cb 0.13 0.57 1.50 0.00 0.10 0.00 0.00 66.02 68.32 1tru s SER 7 CO 0.74 -0.89 1.96 0.50 0.98 0.00 0.00 173.24 176.54 1tru h LYS 8 N 2.23 0.00 0.30 4.02 3.64 -1.92 -1.28 116.57 123.57 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 1.27 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1tru h LYS 8 CO 0.39 0.00 -0.17 1.15 -2.27 0.00 0.00 179.45 178.55 1tru h THR 9 N 0.00 0.65 0.00 1.00 2.02 -2.01 -1.51 112.91 113.06 1tru h THR 9 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1tru h THR 9 Cb 1.02 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 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 0.25 1.26 0.56 6.16 0.00 -1.65 -2.68 119.26 123.16 1tru h ALA 10 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1tru h ALA 10 Cb 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1tru h ALA 10 CO 0.05 0.07 -0.27 0.35 0.00 0.00 0.00 179.25 179.46 1tru h PHE 11 N 0.00 -0.69 -0.15 0.00 3.57 -0.99 0.22 116.94 118.89 1tru h PHE 11 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.21 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1tru h PHE 11 CO 0.00 -0.39 0.06 1.96 -2.23 0.00 0.00 178.31 177.71 1tru h GLN 12 N -0.84 0.23 -0.44 1.11 1.08 -1.32 -1.87 115.11 113.06 1tru h GLN 12 Ca -0.08 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1tru h GLN 12 Cb 0.61 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1tru h GLN 12 CO 0.13 0.32 0.29 0.93 -0.95 0.00 0.00 178.83 179.55 1tru h GLU 13 N 0.09 0.43 -0.25 1.46 4.39 -1.45 -1.12 114.58 118.13 1tru h GLU 13 Ca 0.05 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.58 1tru h GLU 13 Cb 0.18 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1tru h GLU 13 CO -0.00 0.28 -0.45 0.00 -1.16 0.00 0.00 179.01 177.67 1tru h ALA 14 N 1.75 0.73 -0.20 3.43 0.00 -0.07 -0.18 119.26 124.72 1tru h ALA 14 Ca 0.18 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1tru h ALA 14 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1tru h ALA 14 CO -0.04 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.64 1tru h LEU 15 N 0.52 0.49 -0.39 0.00 3.38 -0.45 0.44 115.31 119.31 1tru h LEU 15 Ca 0.03 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 1tru h LEU 15 Cb 0.99 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1tru h LEU 15 CO 0.09 0.84 -0.16 -0.78 0.09 0.00 0.00 178.44 178.52 1tru h ASP 16 N 0.14 0.82 0.81 -0.43 1.82 -1.27 -2.68 116.42 115.63 1tru h ASP 16 Ca 0.04 -0.39 -0.04 0.00 -0.39 0.00 0.00 57.03 56.24 1tru h ASP 16 Cb 0.69 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1tru h ASP 16 CO 0.04 1.03 -0.19 0.00 -1.61 0.00 0.00 179.24 178.51 1tru h ALA 17 N 0.82 1.06 0.00 -0.78 0.00 -1.01 -2.67 119.26 116.68 1tru h ALA 17 Ca 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 17 Cb 0.71 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1tru h ALA 17 CO 0.05 0.23 -0.12 0.00 0.00 0.00 0.00 179.25 179.42 1tru h ALA 18 N 1.81 1.80 0.00 0.00 0.00 -0.54 -3.48 119.26 118.85 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 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tru h ALA 18 CO 0.02 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1tru n GLY 19 N -1.20 0.46 0.54 0.00 0.00 -1.01 -3.44 105.19 100.55 1tru n GLY 19 Ca -0.03 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 6.85 2.87 -4.83 1.61 9.92 -1.26 -3.80 116.55 127.92 1tru n ASP 20 Ca 0.00 -2.17 -0.31 0.00 -0.53 0.00 0.00 54.79 51.78 1tru n ASP 20 Cb 0.00 -0.24 0.06 0.00 -0.64 0.00 0.00 41.12 40.30 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 -1.30 2.77 0.81 -1.24 1.02 -1.22 -4.79 119.74 115.78 1tru s LYS 21 Ca 0.22 0.74 -0.12 0.00 0.02 0.00 0.00 55.97 56.83 1tru s LYS 21 Cb 0.13 -1.99 0.08 0.00 -0.52 0.00 0.00 37.83 35.54 1tru s LYS 21 CO 0.12 -1.16 1.15 -0.51 -0.92 0.00 0.00 175.35 174.03 1tru s LEU 22 N -5.53 3.07 -0.34 3.17 1.43 -1.26 -4.57 118.68 114.65 1tru s LEU 22 Ca 0.58 2.16 0.02 0.00 -1.03 0.00 0.00 54.13 55.87 1tru s LEU 22 Cb -0.13 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 41.67 1tru s LEU 22 CO 0.54 -2.53 0.36 -0.69 0.23 0.00 0.00 176.35 174.25 1tru s VAL 23 N -2.46 -0.36 -0.30 -1.59 1.01 -0.91 -3.30 120.40 112.48 1tru s VAL 23 Ca 0.68 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1tru s VAL 23 Cb -0.24 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1tru s VAL 23 CO 0.52 -0.54 0.32 -0.69 0.00 0.00 0.00 175.10 174.72 1tru s VAL 24 N 1.74 5.21 -0.10 2.92 1.01 -1.07 -0.24 120.40 129.86 1tru s VAL 24 Ca 0.14 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1tru s VAL 24 Cb -0.15 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1tru s VAL 24 CO -0.13 0.07 0.32 -0.69 0.00 0.00 0.00 175.10 174.67 1tru s VAL 25 N 1.97 5.24 -0.28 2.92 1.01 0.39 -2.55 120.40 129.09 1tru s VAL 25 Ca 0.12 0.61 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 1tru s VAL 25 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1tru s VAL 25 CO 0.11 0.49 0.06 -0.62 0.00 0.00 0.00 175.10 175.14 1tru s ASP 26 N -0.29 5.02 -0.51 3.32 2.15 -0.61 -1.13 116.67 124.62 1tru s ASP 26 Ca 0.19 -0.61 -0.15 0.00 0.43 0.00 0.00 52.55 52.41 1tru s ASP 26 Cb -0.14 -1.86 0.11 0.00 -0.30 0.00 0.00 42.92 40.72 1tru s ASP 26 CO 0.07 -0.15 0.45 -0.36 -0.17 0.00 0.00 175.17 175.01 1tru s PHE 27 N 1.51 3.26 0.21 -5.34 0.08 0.49 -2.63 117.98 115.56 1tru s PHE 27 Ca 0.03 -1.18 -0.04 0.00 0.12 0.00 0.00 56.93 55.86 1tru s PHE 27 Cb -0.17 -3.52 -0.03 0.00 -0.57 0.00 0.00 43.02 38.74 1tru s PHE 27 CO 0.02 -0.93 0.21 -1.54 -0.10 0.00 0.00 175.22 172.88 1tru s SER 28 N 3.13 0.09 -0.54 1.36 1.04 -1.22 -1.73 113.70 115.84 1tru s SER 28 Ca 0.04 -1.28 -0.17 0.00 0.48 0.00 0.00 55.95 55.01 1tru s SER 28 Cb -0.27 0.43 0.10 0.00 0.10 0.00 0.00 66.02 66.38 1tru s SER 28 CO 0.04 -0.91 0.55 0.00 0.98 0.00 0.00 173.24 173.90 1tru s ALA 29 N -4.13 3.53 0.55 5.32 0.00 -1.26 -3.14 121.76 122.63 1tru s ALA 29 Ca 0.35 -2.25 0.25 0.00 0.00 0.00 0.00 51.96 50.31 1tru s ALA 29 Cb 0.05 -3.31 1.47 0.00 0.00 0.00 0.00 23.12 21.33 1tru s ALA 29 CO 0.11 -2.05 2.06 0.00 0.00 0.00 0.00 175.76 175.89 1tru h THR 30 N 5.87 0.68 0.00 0.00 1.03 -1.95 0.24 112.91 118.78 1tru h THR 30 Ca -0.29 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 65.99 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 -0.56 4.11 -0.01 0.00 0.00 175.52 180.07 1tru h TRP 31 N 0.00 0.00 -3.97 0.00 5.08 -2.02 -3.45 115.95 111.58 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 0.63 0.00 0.16 0.00 -3.00 0.00 0.00 29.16 26.94 1tru h TRP 31 CO 0.00 0.56 0.22 0.00 -1.28 0.00 0.00 178.44 177.94 1tru n GLY 33 N -0.99 -0.38 0.34 0.00 0.00 -1.26 -3.99 105.19 98.90 1tru n GLY 33 Ca 0.06 0.00 0.15 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 0.00 1.61 0.11 -1.96 -0.73 132.00 131.04 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 -4.68 0.10 0.16 0.00 4.81 -0.70 -2.02 118.16 115.83 1tru n LYS 36 Ca -0.06 0.23 0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1tru n LYS 36 Cb 0.25 -1.50 0.56 0.00 0.02 0.00 0.00 35.03 34.36 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 -0.90 1.64 4.05 -1.21 -2.29 114.93 116.23 1tru h MET 37 Ca 0.00 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.10 1tru h MET 37 Cb 0.11 0.00 -0.19 0.00 -0.80 0.00 0.00 31.60 30.72 1tru h MET 37 CO 0.00 0.00 0.40 -0.89 0.23 0.00 0.00 176.91 176.65 1tru n ILE 38 N -2.35 2.74 0.05 1.77 5.41 -0.86 -4.36 119.36 121.76 1tru n ILE 38 Ca 0.01 -1.51 0.02 0.00 1.00 0.00 0.00 62.75 62.26 1tru n ILE 38 Cb 0.19 -0.48 -0.06 0.00 -0.71 0.00 0.00 39.64 38.57 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 1.59 0.00 0.00 0.38 2.10 -1.65 -3.24 116.57 115.75 1tru h LYS 39 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1tru h LYS 39 Cb 2.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.70 1tru h LYS 39 CO 0.80 0.28 0.00 -0.35 -2.00 0.00 0.00 179.45 178.18 1tru n PRO 40 N -2.90 0.66 0.00 0.07 -0.04 -1.26 -2.62 135.00 128.91 1tru n PRO 40 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1tru n PRO 40 Cb 0.79 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.77 0.00 0.38 0.54 3.72 -1.25 -4.36 117.46 115.71 1tru n PHE 41 Ca 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 1tru n PHE 41 Cb 0.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.89 0.00 1.38 3.57 -1.67 -2.17 116.94 117.16 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 0.00 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1tru h PHE 42 CO 0.00 -0.55 0.00 1.58 -2.23 0.00 0.00 178.31 177.11 1tru n HIS 43 N -4.61 0.00 0.02 0.41 -0.00 -1.08 -2.27 115.22 107.70 1tru n HIS 43 Ca -0.12 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.97 1tru n HIS 43 Cb 0.38 -0.22 -0.13 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.07 0.00 0.26 0.87 -1.27 -3.26 113.55 110.22 1tru h SER 44 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1tru h SER 44 Cb 0.07 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1tru h SER 44 CO 0.00 1.09 0.00 0.18 -0.53 0.00 0.00 176.83 177.57 1tru n LEU 45 N -3.23 0.00 -0.18 2.23 4.77 -0.96 -1.96 117.00 117.66 1tru n LEU 45 Ca -0.11 0.39 0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1tru n LEU 45 Cb 1.01 -0.39 0.32 0.00 -2.33 0.00 0.00 43.42 42.02 1tru n LEU 45 CO 0.47 -0.39 1.22 0.28 -1.33 0.00 0.00 177.39 177.63 1tru h SER 46 N 0.00 0.72 0.74 -1.43 0.02 -1.75 0.39 113.55 112.24 1tru h SER 46 Ca 0.00 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1tru h SER 46 Cb 0.00 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1tru h SER 46 CO 0.00 0.49 -1.36 -0.62 -1.14 0.00 0.00 176.83 174.20 1tru n GLU 47 N -4.46 0.62 -0.09 3.45 -0.58 -0.83 -4.14 120.64 114.61 1tru n GLU 47 Ca 0.09 0.20 -0.17 0.00 -0.42 0.00 0.00 57.16 56.86 1tru n GLU 47 Cb 0.15 -1.81 -0.12 0.00 -0.57 0.00 0.00 31.44 29.09 1tru n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1tru h LYS 48 N 0.00 0.00 -3.57 3.49 3.64 -1.50 -3.41 116.57 115.22 1tru h LYS 48 Ca -0.14 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.52 1tru h LYS 48 Cb 1.49 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.98 1tru h LYS 48 CO 0.04 0.99 -0.20 0.71 -2.27 0.00 0.00 179.45 178.72 1tru s TYR 49 N -2.28 3.58 -1.29 1.91 2.02 0.13 -4.89 117.35 116.54 1tru s TYR 49 Ca -0.23 -2.63 0.18 0.00 -0.37 0.00 0.00 57.07 54.02 1tru s TYR 49 Cb 0.01 -3.35 0.89 0.00 -0.40 0.00 0.00 41.96 39.11 1tru s TYR 49 CO 0.64 -0.85 1.57 -1.13 -1.57 0.00 0.00 175.55 174.21 1tru n SER 50 N 3.34 0.00 -2.23 2.29 3.41 -1.26 -2.93 113.62 116.24 1tru n SER 50 Ca 0.12 0.18 -0.25 0.00 -0.26 0.00 0.00 58.87 58.66 1tru n SER 50 Cb 0.40 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.36 4.07 -4.00 4.04 5.15 -1.26 -4.42 115.26 117.48 1tru n ASN 51 Ca 0.07 -3.63 -0.19 0.00 -0.60 0.00 0.00 54.58 50.23 1tru n ASN 51 Cb 0.17 -0.85 -0.15 0.00 -0.53 0.00 0.00 39.78 38.42 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 -3.43 0.73 -0.35 3.44 1.01 -1.15 -4.70 120.40 115.95 1tru s VAL 52 Ca 0.58 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1tru s VAL 52 Cb 0.48 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1tru s VAL 52 CO 0.10 0.22 0.30 -0.63 0.00 0.00 0.00 175.10 175.09 1tru s ILE 53 N 0.05 5.23 -0.19 2.22 -1.09 -1.21 -3.71 121.20 122.50 1tru s ILE 53 Ca -0.01 -0.20 -0.06 0.00 -2.23 0.00 0.00 60.65 58.16 1tru s ILE 53 Cb -0.06 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1tru s ILE 53 CO 0.00 -0.10 0.03 -0.36 -1.23 0.00 0.00 174.94 173.28 1tru s PHE 54 N 1.84 3.11 -0.12 3.97 0.08 -1.22 -2.61 117.98 123.03 1tru s PHE 54 Ca 0.08 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 56.87 1tru s PHE 54 Cb -0.17 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 1tru s PHE 54 CO 0.11 -0.09 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.62 1tru s LEU 55 N 0.76 3.44 -0.33 -0.37 1.02 -1.06 -2.51 118.68 119.64 1tru s LEU 55 Ca 0.01 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.15 1tru s LEU 55 Cb -0.14 -1.81 0.06 0.00 0.02 0.00 0.00 46.19 44.32 1tru s LEU 55 CO 0.02 0.28 0.07 -0.70 0.02 0.00 0.00 176.35 176.04 1tru s GLU 56 N -0.29 2.39 -0.17 1.70 2.12 -1.13 -1.57 118.70 121.75 1tru s GLU 56 Ca 0.06 -1.36 -0.06 0.00 0.36 0.00 0.00 54.97 53.97 1tru s GLU 56 Cb -0.12 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1tru s GLU 56 CO 0.02 -0.73 0.02 0.08 -0.54 0.00 0.00 175.26 174.11 1tru s VAL 57 N 1.27 4.44 -0.32 3.70 1.01 -1.08 -3.19 120.40 126.22 1tru s VAL 57 Ca -0.01 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1tru s VAL 57 Cb -0.20 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1tru s VAL 57 CO -0.01 0.48 0.37 -0.62 0.00 0.00 0.00 175.10 175.32 1tru s ASP 58 N 0.31 6.20 0.00 3.32 2.15 -1.26 -3.39 116.67 123.99 1tru s ASP 58 Ca 0.01 -0.08 0.02 0.00 0.43 0.00 0.00 52.55 52.93 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 -0.30 0.44 1.33 -0.17 0.00 0.00 175.17 176.48 1tru n VAL 59 N 5.22 0.00 -0.06 1.11 0.24 -1.19 -1.02 118.33 122.64 1tru n VAL 59 Ca -0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.14 1tru n VAL 59 Cb 0.50 -0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 32.15 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 -0.74 3.12 -0.00 -1.34 9.92 -1.26 -4.34 116.55 121.91 1tru n ASP 60 Ca 0.02 -0.06 -0.21 0.00 -0.53 0.00 0.00 54.79 54.00 1tru n ASP 60 Cb 0.01 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 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 0.35 -2.03 -2.24 3.58 -1.83 -3.37 116.42 110.88 1tru h ASP 61 Ca -0.25 -0.84 -0.75 0.00 0.42 0.00 0.00 57.03 55.61 1tru h ASP 61 Cb 1.39 -0.12 -0.29 0.00 1.72 0.00 0.00 39.33 42.03 1tru h ASP 61 CO -0.04 1.64 0.77 0.00 -2.88 0.00 0.00 179.24 178.73 1tru n ALA 62 N -3.00 6.14 0.15 -0.78 0.00 -0.19 -4.73 120.51 118.09 1tru n ALA 62 Ca -0.26 -4.31 0.09 0.00 0.00 0.00 0.00 53.44 48.95 1tru n ALA 62 Cb 0.90 -1.82 0.49 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.38 0.12 -0.03 0.00 10.64 -1.26 -1.10 117.38 125.36 1tru n GLN 63 Ca 0.49 0.61 -0.17 0.00 -1.83 0.00 0.00 57.00 56.10 1tru n GLN 63 Cb 0.29 -1.95 -0.06 0.00 -0.86 0.00 0.00 30.24 27.67 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1tru h ASP 64 N 0.00 0.95 0.91 2.61 3.04 -1.93 -2.71 116.42 119.29 1tru h ASP 64 Ca 0.00 -0.60 -0.13 0.00 -3.24 0.00 0.00 57.03 53.06 1tru h ASP 64 Cb 0.13 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 38.12 1tru h ASP 64 CO 0.00 1.40 -0.64 0.58 -2.04 0.00 0.00 179.24 178.54 1tru h VAL 65 N 0.57 1.29 -0.40 4.15 2.07 -1.50 -2.98 116.25 119.45 1tru h VAL 65 Ca -0.04 -2.32 -0.10 0.00 0.82 0.00 0.00 66.70 65.06 1tru h VAL 65 Cb 1.35 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1tru h VAL 65 CO 0.15 0.62 -0.18 0.00 0.02 0.00 0.00 177.57 178.19 1tru h ALA 66 N 1.36 0.94 0.27 1.67 0.00 -1.42 0.18 119.26 122.26 1tru h ALA 66 Ca -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1tru h ALA 66 Cb 1.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1tru h ALA 66 CO 0.08 0.61 -0.13 1.03 0.00 0.00 0.00 179.25 180.85 1tru h SER 67 N 0.68 -0.31 -0.17 0.00 0.87 -1.43 -2.29 113.55 110.90 1tru h SER 67 Ca 0.10 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1tru h SER 67 Cb 0.67 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1tru h SER 67 CO 0.05 0.14 0.04 -0.08 -0.53 0.00 0.00 176.83 176.45 1tru h GLU 68 N -0.85 0.37 0.00 2.24 4.81 -1.54 0.32 114.58 119.93 1tru h GLU 68 Ca -0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1tru h GLU 68 Cb 0.51 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1tru h GLU 68 CO 0.06 0.36 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1tru n ALA 69 N -2.49 2.09 -3.90 2.92 0.00 0.62 -4.87 120.51 114.89 1tru n ALA 69 Ca 0.01 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1tru n ALA 69 Cb 0.18 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.32 -5.51 -2.84 0.00 1.02 0.10 -4.89 120.64 107.20 1tru n GLU 70 Ca 0.09 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.40 1tru n GLU 70 Cb 0.18 -5.47 -0.04 0.00 -0.02 0.00 0.00 31.44 26.10 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tru s VAL 71 N -3.33 4.44 -0.19 2.62 1.01 -0.94 -4.82 120.40 119.19 1tru s VAL 71 Ca 0.61 0.49 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1tru s VAL 71 Cb -0.31 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.64 1tru s VAL 71 CO 0.83 -0.97 0.93 0.29 0.00 0.00 0.00 175.10 176.18 1tru n LYS 72 N 7.29 2.11 -3.31 2.72 4.76 -1.26 -4.91 118.16 125.56 1tru n LYS 72 Ca 0.04 -1.37 -0.10 0.00 -2.87 0.00 0.00 58.31 54.01 1tru n LYS 72 Cb 0.48 -1.05 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 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 -0.81 -1.16 0.22 7.82 0.00 -1.26 -5.15 121.76 121.42 1tru s ALA 73 Ca 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 1tru s ALA 73 Cb 0.02 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1tru s ALA 73 CO 0.03 -1.75 0.43 0.95 0.00 0.00 0.00 175.76 175.42 1tru s THR 74 N 2.53 5.16 0.48 0.00 -4.23 -1.26 -4.06 115.64 114.26 1tru s THR 74 Ca 0.10 -0.26 -0.20 0.00 -1.18 0.00 0.00 61.69 60.15 1tru s THR 74 Cb -0.13 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.30 -0.20 1.00 -2.16 -0.54 0.00 0.00 174.62 172.41 1tru s PRO 75 N -3.36 3.95 -0.03 3.99 0.04 -1.26 -5.02 135.00 133.31 1tru s PRO 75 Ca 0.40 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1tru s PRO 75 Cb -0.11 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1tru s PRO 75 CO 0.29 -0.29 0.03 0.99 0.04 0.00 0.00 177.00 178.06 1tru s THR 76 N -2.18 0.03 -0.10 1.26 2.01 -0.70 -3.47 115.64 112.49 1tru s THR 76 Ca 0.64 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.85 1tru s THR 76 Cb -0.13 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1tru s THR 76 CO 0.20 0.14 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.87 1tru s PHE 77 N 1.39 3.02 0.02 4.92 0.40 -1.12 -0.38 117.98 126.24 1tru s PHE 77 Ca -0.05 -0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.33 1tru s PHE 77 Cb -0.13 -1.80 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1tru s PHE 77 CO -0.03 0.26 -0.21 -0.65 0.70 0.00 0.00 175.22 175.30 1tru s GLN 78 N -0.49 1.54 -0.33 0.44 -0.21 -0.28 -2.12 119.66 118.20 1tru s GLN 78 Ca 0.08 -0.87 -0.09 0.00 0.02 0.00 0.00 55.36 54.49 1tru s GLN 78 Cb -0.12 -1.59 0.02 0.00 1.00 0.00 0.00 33.01 32.32 1tru s GLN 78 CO 0.02 0.42 0.15 -0.06 -2.12 0.00 0.00 175.29 173.70 1tru s PHE 79 N -0.68 3.20 0.19 0.91 0.40 0.12 -0.46 117.98 121.67 1tru s PHE 79 Ca 0.08 -0.92 0.08 0.00 -0.60 0.00 0.00 56.93 55.56 1tru s PHE 79 Cb -0.09 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 1tru s PHE 79 CO 0.01 -0.59 -0.01 -0.06 0.70 0.00 0.00 175.22 175.27 1tru s PHE 80 N 1.54 2.79 -0.20 0.36 0.08 0.67 -1.11 117.98 122.11 1tru s PHE 80 Ca 0.02 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.79 1tru s PHE 80 Cb -0.18 -1.33 0.06 0.00 -0.57 0.00 0.00 43.02 41.00 1tru s PHE 80 CO 0.05 0.53 0.49 0.21 -0.10 0.00 0.00 175.22 176.40 1tru s LYS 81 N -3.08 0.49 -0.59 0.44 2.20 -0.48 -2.15 119.74 116.57 1tru s LYS 81 Ca 0.28 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1tru s LYS 81 Cb -0.09 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1tru s LYS 81 CO 0.18 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.66 1tru n LYS 82 N 4.05 -1.67 -1.01 4.03 5.02 -1.25 0.82 118.16 128.15 1tru n LYS 82 Ca -0.21 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1tru n LYS 82 Cb 0.56 -4.41 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 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 0.22 1.16 2.87 0.72 0.00 -1.26 -4.93 105.19 103.96 1tru n GLY 83 Ca -0.06 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.50 1.06 -0.46 1.61 -0.21 0.24 -5.08 119.66 114.31 1tru s GLN 84 Ca 0.00 -0.11 -0.27 0.00 0.02 0.00 0.00 55.36 55.00 1tru s GLN 84 Cb 0.00 -1.18 -0.03 0.00 1.00 0.00 0.00 33.01 32.80 1tru s GLN 84 CO 0.00 -0.21 1.94 0.21 -2.12 0.00 0.00 175.29 175.11 1tru s LYS 85 N 1.52 2.84 -0.38 2.91 2.20 -1.26 -1.38 119.74 126.19 1tru s LYS 85 Ca -0.01 1.12 0.05 0.00 -0.36 0.00 0.00 55.97 56.77 1tru s LYS 85 Cb -0.13 -4.34 0.45 0.00 -1.51 0.00 0.00 37.83 32.29 1tru s LYS 85 CO -0.04 -2.45 1.31 1.33 -0.36 0.00 0.00 175.35 175.14 1tru n VAL 86 N 7.44 2.67 0.00 4.02 0.24 -0.26 -4.99 118.33 127.44 1tru n VAL 86 Ca 0.24 -4.20 0.00 0.00 -2.04 0.00 0.00 64.34 58.35 1tru n VAL 86 Cb 0.50 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 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 -0.69 4.20 3.59 7.63 0.00 -1.21 -4.91 105.19 113.80 1tru n GLY 87 Ca 0.46 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.79 0.48 -0.28 1.61 1.03 -1.26 0.13 118.70 117.61 1tru s GLU 88 Ca 0.00 0.08 -0.21 0.00 0.03 0.00 0.00 54.97 54.87 1tru s GLU 88 Cb 0.00 0.22 0.12 0.00 -0.80 0.00 0.00 34.13 33.67 1tru s GLU 88 CO 0.00 -0.16 0.94 -0.59 -1.33 0.00 0.00 175.26 174.13 1tru s PHE 89 N -1.26 -0.61 -0.18 4.83 -0.12 -0.90 -4.99 117.98 114.75 1tru s PHE 89 Ca 0.01 1.34 -0.05 0.00 -0.05 0.00 0.00 56.93 58.19 1tru s PHE 89 Cb -0.01 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.01 -0.30 -0.00 -1.54 -0.05 0.00 0.00 175.22 173.32 1tru s SER 90 N 0.75 4.96 0.00 1.98 1.04 -1.26 -2.77 113.70 118.40 1tru s SER 90 Ca -0.02 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1tru s SER 90 Cb -0.05 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1tru s SER 90 CO -0.10 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1tru n GLY 91 N 3.85 3.47 2.14 7.32 0.00 -1.23 -4.99 105.19 115.75 1tru n GLY 91 Ca -0.17 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.91 6.74 -3.47 4.61 0.00 -1.26 -4.75 120.51 121.47 1tru n ALA 92 Ca 0.00 -2.48 -0.42 0.00 0.00 0.00 0.00 53.44 50.54 1tru n ALA 92 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 19.45 16.80 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 1.87 6.57 0.44 0.00 3.04 -1.26 -4.88 114.94 120.71 1tru s ASN 93 Ca 0.67 -3.37 0.10 0.00 0.04 0.00 0.00 52.86 50.30 1tru s ASN 93 Cb 0.28 -2.08 0.97 0.00 -1.54 0.00 0.00 41.25 38.89 1tru s ASN 93 CO -0.04 -0.32 2.07 0.07 -3.04 0.00 0.00 177.10 175.84 1tru h LYS 94 N 6.73 0.34 0.00 0.43 -0.00 -1.98 -1.57 116.57 120.51 1tru h LYS 94 Ca 0.14 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.65 60.67 1tru h LYS 94 Cb 0.90 -0.07 -0.01 0.00 -0.00 0.00 0.00 32.23 33.04 1tru h LYS 94 CO 0.88 0.25 -0.42 0.93 -0.00 0.00 0.00 179.45 181.09 1tru h GLU 95 N 0.35 0.00 -0.21 0.07 4.39 -2.00 -2.88 114.58 114.31 1tru h GLU 95 Ca 0.09 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 1tru h GLU 95 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1tru h GLU 95 CO -0.02 0.42 -0.33 -0.22 -1.16 0.00 0.00 179.01 177.70 1tru h LYS 96 N 0.00 0.43 -1.01 2.33 3.64 -1.70 -2.91 116.57 117.35 1tru h LYS 96 Ca -0.00 -0.19 0.24 0.00 -1.27 0.00 0.00 60.65 59.43 1tru h LYS 96 Cb 0.74 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.44 1tru h LYS 96 CO 0.05 0.71 0.64 -0.07 -2.27 0.00 0.00 179.45 178.52 1tru h LEU 97 N 0.37 0.54 0.49 5.20 3.38 -1.47 0.58 115.31 124.40 1tru h LEU 97 Ca 0.04 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1tru h LEU 97 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1tru h LEU 97 CO 0.06 0.13 -0.24 -0.08 0.09 0.00 0.00 178.44 178.40 1tru h GLU 98 N 0.49 -0.64 -0.98 1.13 4.81 -1.65 0.21 114.58 117.95 1tru h GLU 98 Ca 0.59 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.96 1tru h GLU 98 Cb 1.32 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.77 1tru h GLU 98 CO -0.33 -0.33 0.62 0.00 -0.73 0.00 0.00 179.01 178.24 1tru h ALA 99 N -0.67 1.44 -0.02 2.92 0.00 -1.37 -0.23 119.26 121.33 1tru h ALA 99 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1tru h ALA 99 Cb 0.60 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1tru h ALA 99 CO 0.11 0.27 -0.03 1.15 0.00 0.00 0.00 179.25 180.75 1tru h THR 100 N 1.02 1.43 -0.82 0.00 2.02 -0.86 -2.77 112.91 112.93 1tru h THR 100 Ca 0.47 -1.32 0.07 0.00 0.77 0.00 0.00 66.41 66.41 1tru h THR 100 Cb 0.39 2.27 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 1tru h THR 100 CO -0.24 0.35 0.49 0.40 0.37 0.00 0.00 175.52 176.89 1tru h ILE 101 N -0.47 0.99 0.00 3.11 2.04 -0.16 0.43 117.51 123.45 1tru h ILE 101 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1tru h ILE 101 Cb 0.58 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1tru h ILE 101 CO 0.01 0.16 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1tru n ASN 102 N -4.69 0.00 -0.06 1.72 5.15 -0.13 -2.31 115.26 114.95 1tru n ASN 102 Ca 0.12 -0.62 -0.03 0.00 -0.60 0.00 0.00 54.58 53.44 1tru n ASN 102 Cb 0.21 -0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 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 -0.62 1.20 4.57 0.18 -3.35 114.58 116.55 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tru h GLU 103 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1tru h GLU 103 CO 0.00 0.21 0.00 1.28 -1.18 0.00 0.00 179.01 179.32 1tru n LEU 104 N -4.73 5.32 0.00 1.64 4.77 -1.20 -5.12 117.00 117.69 1tru n LEU 104 Ca -0.03 -2.70 0.06 0.00 -0.03 0.00 0.00 56.01 53.30 1tru n LEU 104 Cb 0.12 -0.67 0.34 0.00 -2.33 0.00 0.00 43.42 40.88 1tru n LEU 104 CO 0.08 0.60 0.56 0.55 -1.33 0.00 0.00 177.39 177.85