#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tru s VAL 2 N 0.00 0.14 -0.22 1.12 1.01 -1.26 -3.45 120.40 117.74 1tru s VAL 2 Ca 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 61.98 60.81 1tru s VAL 2 Cb 0.00 -1.22 0.11 0.00 0.00 0.00 0.00 36.38 35.27 1tru s VAL 2 CO 0.00 -0.62 0.41 -0.75 0.00 0.00 0.00 175.10 174.14 1tru s LYS 3 N -3.49 0.34 -0.12 2.72 2.20 -0.90 -4.98 119.74 115.51 1tru s LYS 3 Ca 0.02 0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 56.18 1tru s LYS 3 Cb 0.03 0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 1tru s LYS 3 CO -0.09 -0.41 0.99 -1.14 -0.36 0.00 0.00 175.35 174.34 1tru s GLN 4 N 2.59 4.40 -0.42 4.03 0.74 -1.26 -2.45 119.66 127.30 1tru s GLN 4 Ca 0.04 1.35 -0.22 0.00 0.05 0.00 0.00 55.36 56.58 1tru s GLN 4 Cb -0.13 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.44 1tru s GLN 4 CO -0.14 -0.33 0.74 0.42 -0.55 0.00 0.00 175.29 175.42 1tru s ILE 5 N 2.09 4.73 -0.31 -2.34 -1.09 -1.13 -4.89 121.20 118.27 1tru s ILE 5 Ca 0.47 0.48 0.23 0.00 -2.23 0.00 0.00 60.65 59.60 1tru s ILE 5 Cb -0.18 -4.24 0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1tru s ILE 5 CO 0.17 -0.58 1.12 -0.33 -1.23 0.00 0.00 174.94 174.08 1tru h GLU 6 N 8.79 0.00 -3.04 2.79 3.07 -1.94 -3.42 114.58 120.83 1tru h GLU 6 Ca -0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 1tru h GLU 6 Cb 1.09 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.90 1tru h GLU 6 CO 0.92 0.00 0.19 -1.54 -1.40 0.00 0.00 179.01 177.18 1tru s SER 7 N -5.25 -0.47 0.60 1.42 1.04 -1.26 -4.41 113.70 105.37 1tru s SER 7 Ca 0.01 -0.16 0.29 0.00 0.48 0.00 0.00 55.95 56.57 1tru s SER 7 Cb 0.10 0.62 1.55 0.00 0.10 0.00 0.00 66.02 68.39 1tru s SER 7 CO 0.77 -1.04 1.95 0.50 0.98 0.00 0.00 173.24 176.41 1tru h LYS 8 N 2.03 0.00 0.50 4.02 3.64 -1.93 -1.48 116.57 123.36 1tru h LYS 8 Ca -0.31 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1tru h LYS 8 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.36 0.00 -0.28 1.15 -2.27 0.00 0.00 179.45 178.40 1tru h THR 9 N 0.00 0.41 0.00 1.00 2.02 -2.00 -1.58 112.91 112.77 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 0.91 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 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 -0.26 1.22 0.66 6.16 0.00 -1.68 -2.48 119.26 122.88 1tru h ALA 10 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 10 Cb 0.59 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1tru h ALA 10 CO 0.08 0.07 -0.32 0.35 0.00 0.00 0.00 179.25 179.43 1tru h PHE 11 N 0.00 -0.83 -0.48 0.00 3.57 -1.02 0.38 116.94 118.57 1tru h PHE 11 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1tru h PHE 11 Cb 0.23 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1tru h PHE 11 CO 0.00 -0.51 0.22 -0.56 -2.23 0.00 0.00 178.31 175.23 1tru h GLN 12 N -0.98 0.69 -0.71 1.11 3.07 -1.43 -0.92 115.11 115.95 1tru h GLN 12 Ca -0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 58.65 58.54 1tru h GLN 12 Cb 0.68 -0.12 -0.03 0.00 0.08 0.00 0.00 27.48 28.09 1tru h GLN 12 CO 0.15 0.59 0.44 0.93 0.09 0.00 0.00 178.83 181.03 1tru h GLU 13 N 0.62 0.95 -0.16 0.06 5.08 -1.46 -1.11 114.58 118.57 1tru h GLU 13 Ca 0.16 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1tru h GLU 13 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1tru h GLU 13 CO -0.02 0.65 -0.47 0.00 -1.00 0.00 0.00 179.01 178.17 1tru h ALA 14 N 1.52 0.89 -0.10 3.43 0.00 0.32 -0.11 119.26 125.21 1tru h ALA 14 Ca 0.26 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1tru h ALA 14 Cb -0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1tru h ALA 14 CO -0.05 0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.70 1tru h LEU 15 N 0.33 0.25 -0.79 0.00 3.38 -0.28 -0.67 115.31 117.53 1tru h LEU 15 Ca 0.02 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 1tru h LEU 15 Cb 0.95 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1tru h LEU 15 CO 0.08 0.65 -0.31 -0.78 0.09 0.00 0.00 178.44 178.17 1tru h ASP 16 N -0.16 0.58 0.54 -0.43 1.82 -1.22 -2.68 116.42 114.88 1tru h ASP 16 Ca 0.02 -0.22 -0.10 0.00 -0.39 0.00 0.00 57.03 56.34 1tru h ASP 16 Cb 0.57 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1tru h ASP 16 CO 0.02 0.86 -0.46 0.00 -1.61 0.00 0.00 179.24 178.04 1tru h ALA 17 N 1.18 1.16 0.00 -0.78 0.00 -0.95 -2.60 119.26 117.27 1tru h ALA 17 Ca 0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1tru h ALA 17 Cb 0.78 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 17 CO 0.06 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.82 1tru h ALA 18 N 1.54 1.50 0.00 0.00 0.00 -0.76 -3.47 119.26 118.07 1tru h ALA 18 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tru h ALA 18 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1tru h ALA 18 CO 0.06 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1tru n GLY 19 N -1.08 1.27 0.56 0.00 0.00 -0.98 -3.25 105.19 101.70 1tru n GLY 19 Ca -0.03 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 8.01 2.93 -4.83 1.61 9.92 -1.26 -4.00 116.55 128.93 1tru n ASP 20 Ca 0.00 -2.24 -0.31 0.00 -0.53 0.00 0.00 54.79 51.71 1tru n ASP 20 Cb 0.00 -0.26 0.04 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 -1.43 3.04 0.79 -1.24 1.02 -1.20 -4.82 119.74 115.90 1tru s LYS 21 Ca 0.23 0.88 -0.13 0.00 0.02 0.00 0.00 55.97 56.98 1tru s LYS 21 Cb 0.15 -2.01 0.07 0.00 -0.52 0.00 0.00 37.83 35.53 1tru s LYS 21 CO 0.11 -1.01 1.17 -1.17 -0.92 0.00 0.00 175.35 173.54 1tru s LEU 22 N -5.47 3.14 -0.31 3.17 0.20 -1.26 -4.65 118.68 113.50 1tru s LEU 22 Ca 0.57 2.23 0.00 0.00 0.69 0.00 0.00 54.13 57.63 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 0.55 -2.48 0.31 -0.69 -0.29 0.00 0.00 176.35 173.74 1tru s VAL 23 N -2.30 -0.37 -0.31 1.68 1.01 -0.91 -2.95 120.40 116.24 1tru s VAL 23 Ca 0.70 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 1tru s VAL 23 Cb -0.26 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1tru s VAL 23 CO 0.50 -0.51 0.24 -0.69 0.00 0.00 0.00 175.10 174.64 1tru s VAL 24 N 2.15 5.28 -0.14 2.92 1.01 -1.04 -0.35 120.40 130.22 1tru s VAL 24 Ca 0.11 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 1tru s VAL 24 Cb -0.14 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1tru s VAL 24 CO -0.27 0.10 0.32 -0.69 0.00 0.00 0.00 175.10 174.56 1tru s VAL 25 N 1.79 5.28 -0.27 2.92 1.01 0.06 -2.66 120.40 128.52 1tru s VAL 25 Ca 0.08 0.61 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 1tru s VAL 25 Cb -0.17 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1tru s VAL 25 CO 0.11 0.40 0.06 -0.62 0.00 0.00 0.00 175.10 175.05 1tru s ASP 26 N 0.35 5.03 -0.48 3.32 2.15 -0.80 -1.36 116.67 124.88 1tru s ASP 26 Ca 0.18 -0.46 -0.15 0.00 0.43 0.00 0.00 52.55 52.55 1tru s ASP 26 Cb -0.13 -1.88 0.08 0.00 -0.30 0.00 0.00 42.92 40.68 1tru s ASP 26 CO 0.05 -0.11 0.40 -0.36 -0.17 0.00 0.00 175.17 174.99 1tru s PHE 27 N 1.55 3.25 0.18 -5.34 0.08 0.53 -2.55 117.98 115.68 1tru s PHE 27 Ca 0.05 -1.00 -0.03 0.00 0.12 0.00 0.00 56.93 56.06 1tru s PHE 27 Cb -0.16 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.02 1tru s PHE 27 CO 0.02 -0.83 0.16 -1.12 -0.10 0.00 0.00 175.22 173.36 1tru s SER 28 N 2.69 0.16 -0.56 1.36 0.01 -1.20 -1.91 113.70 114.26 1tru s SER 28 Ca 0.04 -1.24 -0.18 0.00 1.31 0.00 0.00 55.95 55.88 1tru s SER 28 Cb -0.25 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.46 1tru s SER 28 CO 0.06 -0.84 0.61 0.00 0.41 0.00 0.00 173.24 173.48 1tru s ALA 29 N -4.09 3.48 0.54 1.44 0.00 -1.26 -3.13 121.76 118.74 1tru s ALA 29 Ca 0.31 -2.22 0.24 0.00 0.00 0.00 0.00 51.96 50.29 1tru s ALA 29 Cb 0.06 -3.40 1.43 0.00 0.00 0.00 0.00 23.12 21.22 1tru s ALA 29 CO 0.07 -2.16 2.05 0.00 0.00 0.00 0.00 175.76 175.73 1tru h THR 30 N 5.89 0.72 0.00 0.00 1.03 -1.95 0.19 112.91 118.79 1tru h THR 30 Ca -0.29 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.96 1tru h THR 30 Cb 1.09 0.82 -0.02 0.00 -1.07 0.00 0.00 68.15 68.97 1tru h THR 30 CO 1.05 0.00 -0.69 4.11 -0.01 0.00 0.00 175.52 179.98 1tru h TRP 31 N 0.00 0.00 -3.88 0.00 5.08 -2.02 -3.45 115.95 111.67 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 0.66 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 26.99 1tru h TRP 31 CO 0.00 0.69 0.19 0.00 -1.28 0.00 0.00 178.44 178.03 1tru n GLY 33 N -0.59 -0.37 0.34 0.00 0.00 -1.26 -4.02 105.19 99.29 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 -1.02 132.00 130.74 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 0.13 0.23 0.00 4.81 -0.65 -1.98 118.16 116.02 1tru n LYS 36 Ca -0.07 0.20 0.16 0.00 -0.87 0.00 0.00 58.31 57.73 1tru n LYS 36 Cb 0.30 -1.50 0.69 0.00 0.02 0.00 0.00 35.03 34.54 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 -0.95 1.64 4.05 -1.25 -2.40 114.93 116.01 1tru h MET 37 Ca 0.00 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.09 1tru h MET 37 Cb 0.09 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 30.69 1tru h MET 37 CO 0.00 0.00 0.42 -0.89 0.23 0.00 0.00 176.91 176.67 1tru n ILE 38 N -2.75 2.57 0.05 1.77 5.41 -0.84 -4.31 119.36 121.26 1tru n ILE 38 Ca 0.00 -1.38 0.02 0.00 1.00 0.00 0.00 62.75 62.39 1tru n ILE 38 Cb 0.22 -0.56 -0.07 0.00 -0.71 0.00 0.00 39.64 38.53 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 1.09 0.00 0.00 0.38 2.10 -1.67 -3.25 116.57 115.22 1tru h LYS 39 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1tru h LYS 39 Cb 2.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.62 1tru h LYS 39 CO 0.76 0.26 0.00 -0.35 -2.00 0.00 0.00 179.45 178.12 1tru n PRO 40 N -2.88 0.67 0.00 0.07 -0.04 -1.26 -2.68 135.00 128.88 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 0.80 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.34 0.54 3.01 -1.25 -4.37 117.46 114.98 1tru n PHE 41 Ca 0.08 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.41 1tru n PHE 41 Cb 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.80 0.00 1.38 3.57 -1.68 -2.13 116.94 117.28 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 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1tru h PHE 42 CO 0.00 -0.50 0.00 1.58 -2.23 0.00 0.00 178.31 177.16 1tru n HIS 43 N -4.34 0.00 0.04 0.41 -0.00 -1.09 -2.07 115.22 108.17 1tru n HIS 43 Ca -0.11 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.03 1tru n HIS 43 Cb 0.34 -0.25 -0.10 0.00 -0.12 0.00 0.00 29.99 29.86 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 0.00 0.26 0.87 -1.25 -3.26 113.55 110.17 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 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1tru h SER 44 CO 0.00 0.84 0.00 0.18 -0.53 0.00 0.00 176.83 177.32 1tru n LEU 45 N -3.14 0.22 -0.16 2.23 4.77 -0.88 -1.75 117.00 118.30 1tru n LEU 45 Ca -0.07 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.58 1tru n LEU 45 Cb 0.93 -0.63 0.37 0.00 -2.33 0.00 0.00 43.42 41.75 1tru n LEU 45 CO 0.45 -0.68 1.21 0.28 -1.33 0.00 0.00 177.39 177.32 1tru h SER 46 N 0.00 0.63 0.85 -1.43 0.02 -1.75 0.53 113.55 112.41 1tru h SER 46 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1tru h SER 46 Cb 0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1tru h SER 46 CO 0.00 0.41 -1.23 -0.33 -1.14 0.00 0.00 176.83 174.54 1tru h GLU 47 N 0.72 0.00 0.00 3.45 5.08 -1.62 -3.34 114.58 118.87 1tru h GLU 47 Ca 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1tru h GLU 47 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1tru h GLU 47 CO -0.10 0.25 -0.38 -0.22 -1.00 0.00 0.00 179.01 177.57 1tru h LYS 48 N 0.00 0.00 -3.47 2.33 3.64 -1.36 -3.41 116.57 114.30 1tru h LYS 48 Ca -0.11 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.54 1tru h LYS 48 Cb 1.45 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.93 1tru h LYS 48 CO 0.04 0.42 -0.10 0.71 -2.27 0.00 0.00 179.45 178.25 1tru s TYR 49 N -2.04 3.77 -1.50 1.91 2.02 0.18 -4.87 117.35 116.82 1tru s TYR 49 Ca -0.14 -2.79 0.16 0.00 -0.37 0.00 0.00 57.07 53.94 1tru s TYR 49 Cb 0.01 -3.36 0.83 0.00 -0.40 0.00 0.00 41.96 39.05 1tru s TYR 49 CO 0.33 -0.82 1.45 -1.13 -1.57 0.00 0.00 175.55 173.81 1tru n SER 50 N 2.88 0.00 -2.13 2.29 3.41 -1.25 -2.62 113.62 116.20 1tru n SER 50 Ca 0.17 -0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.54 1tru n SER 50 Cb 0.39 -0.25 0.17 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.25 3.69 -4.07 4.04 5.15 -1.26 -4.27 115.26 117.28 1tru n ASN 51 Ca 0.08 -3.48 -0.19 0.00 -0.60 0.00 0.00 54.58 50.39 1tru n ASN 51 Cb 0.12 -0.81 -0.14 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 -3.03 0.88 -0.30 3.44 1.01 -1.08 -4.73 120.40 116.59 1tru s VAL 52 Ca 0.52 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1tru s VAL 52 Cb 0.44 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1tru s VAL 52 CO 0.10 0.12 0.25 -0.63 0.00 0.00 0.00 175.10 174.94 1tru s ILE 53 N -0.50 5.27 -0.16 2.22 -1.09 -1.15 -3.28 121.20 122.51 1tru s ILE 53 Ca 0.02 0.13 -0.02 0.00 -2.23 0.00 0.00 60.65 58.56 1tru s ILE 53 Cb -0.05 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1tru s ILE 53 CO 0.00 0.15 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.40 1tru s PHE 54 N 1.82 2.88 -0.11 3.97 0.08 -1.22 -2.49 117.98 122.92 1tru s PHE 54 Ca 0.08 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1tru s PHE 54 Cb -0.16 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1tru s PHE 54 CO 0.11 -0.28 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.40 1tru s LEU 55 N 0.65 3.31 -0.33 -0.37 1.02 -1.09 -2.13 118.68 119.74 1tru s LEU 55 Ca -0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 1tru s LEU 55 Cb -0.15 -1.76 0.06 0.00 0.02 0.00 0.00 46.19 44.36 1tru s LEU 55 CO 0.03 0.29 0.07 -0.70 0.02 0.00 0.00 176.35 176.05 1tru s GLU 56 N -0.35 2.40 -0.18 1.70 2.12 -1.02 -1.90 118.70 121.47 1tru s GLU 56 Ca 0.06 -1.35 -0.06 0.00 0.36 0.00 0.00 54.97 53.97 1tru s GLU 56 Cb -0.12 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1tru s GLU 56 CO 0.02 -0.72 0.04 0.08 -0.54 0.00 0.00 175.26 174.14 1tru s VAL 57 N 1.27 4.53 -0.34 3.70 1.01 -1.06 -2.85 120.40 126.66 1tru s VAL 57 Ca -0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1tru s VAL 57 Cb -0.20 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1tru s VAL 57 CO -0.01 0.47 0.38 -0.62 0.00 0.00 0.00 175.10 175.32 1tru s ASP 58 N 0.41 6.20 0.00 3.32 2.15 -1.26 -3.22 116.67 124.27 1tru s ASP 58 Ca 0.01 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.84 1tru s ASP 58 Cb -0.13 -2.21 0.11 0.00 -0.30 0.00 0.00 42.92 40.39 1tru s ASP 58 CO 0.01 -0.35 0.37 1.33 -0.17 0.00 0.00 175.17 176.37 1tru n VAL 59 N 5.26 0.00 -0.04 1.11 0.24 -1.18 -1.08 118.33 122.63 1tru n VAL 59 Ca -0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.49 -0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 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 -0.66 3.30 0.03 -1.34 9.92 -1.26 -4.40 116.55 122.13 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 -0.06 -0.14 0.00 -0.64 0.00 0.00 41.12 40.29 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 0.46 -1.95 -2.24 3.58 -1.82 -3.37 116.42 111.08 1tru h ASP 61 Ca -0.20 -0.91 -0.74 0.00 0.42 0.00 0.00 57.03 55.60 1tru h ASP 61 Cb 1.32 -0.15 -0.29 0.00 1.72 0.00 0.00 39.33 41.93 1tru h ASP 61 CO -0.03 1.77 0.77 0.00 -2.88 0.00 0.00 179.24 178.88 1tru n ALA 62 N -2.96 6.25 0.10 -0.78 0.00 -0.24 -4.72 120.51 118.16 1tru n ALA 62 Ca -0.28 -4.20 0.06 0.00 0.00 0.00 0.00 53.44 49.03 1tru n ALA 62 Cb 1.01 -1.78 0.32 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.49 0.08 -0.04 0.00 6.02 -1.26 -1.10 117.38 120.58 1tru n GLN 63 Ca 0.51 0.56 -0.16 0.00 -0.01 0.00 0.00 57.00 57.90 1tru n GLN 63 Cb 0.30 -1.81 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 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 0.73 0.28 1.08 2.03 -1.93 -1.07 116.42 117.55 1tru h ASP 64 Ca 0.00 -0.61 -0.20 0.00 -0.73 0.00 0.00 57.03 55.49 1tru h ASP 64 Cb 0.12 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 38.40 1tru h ASP 64 CO 0.00 1.21 -0.81 0.58 -1.03 0.00 0.00 179.24 179.19 1tru h VAL 65 N 0.30 1.39 -0.40 4.15 2.07 -1.50 -2.34 116.25 119.91 1tru h VAL 65 Ca -0.02 -2.26 -0.10 0.00 0.82 0.00 0.00 66.70 65.14 1tru h VAL 65 Cb 1.16 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1tru h VAL 65 CO 0.11 0.68 -0.14 0.00 0.02 0.00 0.00 177.57 178.24 1tru h ALA 66 N 0.85 1.00 -0.09 1.67 0.00 -1.45 0.05 119.26 121.28 1tru h ALA 66 Ca -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1tru h ALA 66 Cb 1.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1tru h ALA 66 CO 0.14 0.60 -0.09 0.77 0.00 0.00 0.00 179.25 180.66 1tru h SER 67 N 0.66 0.24 -0.12 0.00 0.02 -1.13 -1.41 113.55 111.83 1tru h SER 67 Ca 0.11 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1tru h SER 67 Cb 0.61 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1tru h SER 67 CO 0.04 0.68 0.05 -0.08 -1.14 0.00 0.00 176.83 176.38 1tru h GLU 68 N -0.18 0.17 0.00 3.45 4.22 -1.32 -1.21 114.58 119.71 1tru h GLU 68 Ca 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1tru h GLU 68 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1tru h GLU 68 CO 0.02 0.26 0.00 0.00 -2.18 0.00 0.00 179.01 177.11 1tru n ALA 69 N -2.20 2.28 -4.31 2.92 0.00 -0.01 -4.85 120.51 114.35 1tru n ALA 69 Ca -0.05 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 1tru n ALA 69 Cb 0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 1tru n ALA 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1tru n GLU 70 N -0.70 -0.87 -2.68 0.00 0.28 -0.46 -4.82 120.64 111.40 1tru n GLU 70 Ca 0.07 0.10 -0.42 0.00 -0.16 0.00 0.00 57.16 56.75 1tru n GLU 70 Cb 0.03 -3.80 -0.03 0.00 1.43 0.00 0.00 31.44 29.07 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1tru s VAL 71 N -3.95 4.09 -0.19 3.84 1.01 -0.68 -4.82 120.40 119.70 1tru s VAL 71 Ca 0.27 0.49 0.14 0.00 0.00 0.00 0.00 61.98 62.88 1tru s VAL 71 Cb -0.16 -4.71 0.39 0.00 0.00 0.00 0.00 36.38 31.91 1tru s VAL 71 CO 0.97 -1.40 1.23 0.29 0.00 0.00 0.00 175.10 176.19 1tru n LYS 72 N 8.29 1.58 -3.19 2.72 4.76 -1.26 -4.86 118.16 126.20 1tru n LYS 72 Ca 0.04 -3.05 -0.13 0.00 -2.87 0.00 0.00 58.31 52.31 1tru n LYS 72 Cb 0.48 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 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 -3.11 -0.82 0.21 7.82 0.00 -1.26 -5.14 121.76 119.45 1tru s ALA 73 Ca 0.37 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.39 1tru s ALA 73 Cb 0.34 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1tru s ALA 73 CO -0.02 -2.15 0.41 0.95 0.00 0.00 0.00 175.76 174.94 1tru s THR 74 N 1.09 5.18 0.48 0.00 -4.23 -1.26 -4.07 115.64 112.83 1tru s THR 74 Ca 0.23 -0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.24 1tru s THR 74 Cb -0.06 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.96 1tru s THR 74 CO -0.07 -0.19 1.00 -2.16 -0.54 0.00 0.00 174.62 172.65 1tru s PRO 75 N -3.35 3.94 0.01 3.99 0.04 -1.26 -5.02 135.00 133.35 1tru s PRO 75 Ca 0.39 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1tru s PRO 75 Cb -0.11 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1tru s PRO 75 CO 0.29 -0.29 -0.02 0.99 0.04 0.00 0.00 177.00 178.01 1tru s THR 76 N -2.25 0.13 -0.11 1.26 2.01 -0.80 -3.34 115.64 112.54 1tru s THR 76 Ca 0.63 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1tru s THR 76 Cb -0.12 -0.17 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1tru s THR 76 CO 0.22 -0.16 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.46 1tru s PHE 77 N -0.55 2.06 -0.00 4.92 0.40 -1.17 -0.35 117.98 123.29 1tru s PHE 77 Ca -0.05 -0.96 0.06 0.00 -0.60 0.00 0.00 56.93 55.38 1tru s PHE 77 Cb -0.04 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 1tru s PHE 77 CO -0.00 -0.48 -0.17 -0.65 0.70 0.00 0.00 175.22 174.62 1tru s GLN 78 N 0.90 2.27 -0.34 0.44 -0.21 -0.47 -2.39 119.66 119.87 1tru s GLN 78 Ca -0.08 -0.85 -0.10 0.00 0.02 0.00 0.00 55.36 54.35 1tru s GLN 78 Cb -0.15 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 31.61 1tru s GLN 78 CO -0.01 0.58 0.17 -0.06 -2.12 0.00 0.00 175.29 173.85 1tru s PHE 79 N -0.81 3.21 0.13 0.91 0.40 0.89 -0.76 117.98 121.95 1tru s PHE 79 Ca 0.13 -0.86 0.08 0.00 -0.60 0.00 0.00 56.93 55.68 1tru s PHE 79 Cb -0.10 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1tru s PHE 79 CO 0.03 -0.58 -0.10 -0.06 0.70 0.00 0.00 175.22 175.21 1tru s PHE 80 N 1.56 2.69 -0.20 0.36 0.08 0.52 -0.93 117.98 122.07 1tru s PHE 80 Ca 0.03 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.75 1tru s PHE 80 Cb -0.18 -1.38 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 1tru s PHE 80 CO 0.06 0.45 0.51 0.21 -0.10 0.00 0.00 175.22 176.35 1tru s LYS 81 N -2.42 0.54 0.00 0.44 2.20 -0.57 -2.13 119.74 117.80 1tru s LYS 81 Ca 0.22 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1tru s LYS 81 Cb -0.10 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1tru s LYS 81 CO 0.14 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1tru n LYS 82 N 3.60 -1.53 -0.30 4.03 5.02 -1.26 0.59 118.16 128.31 1tru n LYS 82 Ca -0.18 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1tru n LYS 82 Cb 0.56 -4.04 0.00 0.00 -0.02 0.00 0.00 35.03 31.53 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 0.28 1.12 2.95 0.72 0.00 -1.26 -4.98 105.19 104.01 1tru n GLY 83 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.86 1.19 -0.09 1.61 1.11 0.20 -5.10 119.66 117.72 1tru s GLN 84 Ca 0.00 -0.24 -0.29 0.00 0.01 0.00 0.00 55.36 54.84 1tru s GLN 84 Cb 0.00 -1.07 -0.05 0.00 -1.01 0.00 0.00 33.01 30.88 1tru s GLN 84 CO 0.00 -0.03 1.71 0.21 0.01 0.00 0.00 175.29 177.19 1tru s LYS 85 N 0.78 4.04 -0.01 2.91 2.20 -1.26 -1.51 119.74 126.90 1tru s LYS 85 Ca -0.13 2.11 0.10 0.00 -0.36 0.00 0.00 55.97 57.69 1tru s LYS 85 Cb -0.15 -4.03 -0.13 0.00 -1.51 0.00 0.00 37.83 32.01 1tru s LYS 85 CO 0.02 -1.02 0.33 1.33 -0.36 0.00 0.00 175.35 175.65 1tru n VAL 86 N 5.80 0.00 -3.46 4.02 0.24 -0.10 -4.97 118.33 119.85 1tru n VAL 86 Ca 0.18 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 62.12 1tru n VAL 86 Cb 0.43 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.46 1tru n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tru s GLY 87 N -2.48 -0.56 -0.24 7.63 0.00 -1.12 -5.01 107.32 105.54 1tru s GLY 87 Ca 0.00 0.55 -0.27 0.00 0.00 0.00 0.00 44.72 45.00 1tru s GLY 87 CO 0.41 0.18 1.14 1.85 0.00 0.00 0.00 173.10 176.68 1tru s GLU 88 N -3.63 0.40 -0.29 2.90 2.12 -1.26 -0.07 118.70 118.86 1tru s GLU 88 Ca 0.02 0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.46 1tru s GLU 88 Cb -0.01 0.19 0.13 0.00 0.26 0.00 0.00 34.13 34.70 1tru s GLU 88 CO -0.11 -0.09 0.91 -0.59 -0.54 0.00 0.00 175.26 174.85 1tru s PHE 89 N -0.46 -0.69 -0.14 5.30 -0.12 -1.00 -5.00 117.98 115.86 1tru s PHE 89 Ca 0.03 1.36 -0.05 0.00 -0.05 0.00 0.00 56.93 58.21 1tru s PHE 89 Cb -0.03 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.05 -0.34 0.04 -1.54 -0.05 0.00 0.00 175.22 173.28 1tru s SER 90 N 1.48 5.48 0.00 1.98 1.04 -1.26 -3.07 113.70 119.35 1tru s SER 90 Ca -0.09 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1tru s SER 90 Cb -0.04 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1tru s SER 90 CO -0.16 0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1tru n GLY 91 N 2.96 3.93 2.15 7.32 0.00 -1.21 -4.97 105.19 115.37 1tru n GLY 91 Ca -0.18 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.30 6.94 -3.47 4.61 0.00 -1.26 -4.74 120.51 121.28 1tru n ALA 92 Ca 0.00 -2.62 -0.41 0.00 0.00 0.00 0.00 53.44 50.40 1tru n ALA 92 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 19.45 16.61 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 2.07 6.68 0.48 0.00 3.04 -1.26 -4.87 114.94 121.08 1tru s ASN 93 Ca 0.68 -3.58 0.15 0.00 0.04 0.00 0.00 52.86 50.15 1tru s ASN 93 Cb 0.26 -2.07 1.15 0.00 -1.54 0.00 0.00 41.25 39.04 1tru s ASN 93 CO -0.03 -0.26 2.09 0.07 -3.04 0.00 0.00 177.10 175.93 1tru h LYS 94 N 6.46 0.19 0.00 0.43 2.10 -1.99 0.56 116.57 124.32 1tru h LYS 94 Ca 0.16 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.75 1tru h LYS 94 Cb 0.86 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1tru h LYS 94 CO 0.92 0.12 -0.22 0.93 -2.00 0.00 0.00 179.45 179.21 1tru h GLU 95 N 0.19 0.00 -0.50 0.07 5.08 -1.99 -2.77 114.58 114.67 1tru h GLU 95 Ca 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1tru h GLU 95 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1tru h GLU 95 CO -0.02 0.22 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.80 1tru h LYS 96 N 0.00 1.01 -0.97 2.33 3.64 -1.29 -2.85 116.57 118.44 1tru h LYS 96 Ca -0.00 -0.42 0.22 0.00 -1.27 0.00 0.00 60.65 59.18 1tru h LYS 96 Cb 0.56 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.26 1tru h LYS 96 CO 0.03 1.10 0.63 -0.07 -2.27 0.00 0.00 179.45 178.87 1tru h LEU 97 N 0.87 0.51 0.29 5.20 3.38 -1.47 0.24 115.31 124.34 1tru h LEU 97 Ca 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1tru h LEU 97 Cb 0.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1tru h LEU 97 CO 0.06 0.17 -0.14 -0.08 0.09 0.00 0.00 178.44 178.54 1tru h GLU 98 N 0.49 -0.38 -0.83 1.13 4.81 -1.61 0.24 114.58 118.43 1tru h GLU 98 Ca 0.54 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.94 1tru h GLU 98 Cb 1.21 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 1tru h GLU 98 CO -0.26 -0.25 0.54 0.00 -0.73 0.00 0.00 179.01 178.31 1tru h ALA 99 N -1.67 1.94 0.08 2.92 0.00 -1.48 -0.12 119.26 120.93 1tru h ALA 99 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tru h ALA 99 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1tru h ALA 99 CO 0.07 -0.16 -0.04 1.15 0.00 0.00 0.00 179.25 180.27 1tru h THR 100 N 0.58 1.20 -0.90 0.00 2.02 -0.53 -2.59 112.91 112.70 1tru h THR 100 Ca 0.41 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.46 1tru h THR 100 Cb 0.76 1.95 -0.06 0.00 -1.74 0.00 0.00 68.15 69.06 1tru h THR 100 CO -0.17 0.29 0.56 0.40 0.37 0.00 0.00 175.52 176.97 1tru h ILE 101 N -0.67 1.04 0.00 3.11 2.04 0.05 0.48 117.51 123.56 1tru h ILE 101 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1tru h ILE 101 Cb 0.55 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1tru h ILE 101 CO 0.02 0.18 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1tru n ASN 102 N -4.60 0.00 -0.06 1.72 5.15 -0.11 -2.03 115.26 115.33 1tru n ASN 102 Ca 0.13 -0.39 -0.05 0.00 -0.60 0.00 0.00 54.58 53.67 1tru n ASN 102 Cb 0.19 -0.11 -0.04 0.00 -0.53 0.00 0.00 39.78 39.28 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1tru h GLU 103 N 0.00 0.00 -0.63 1.20 4.81 0.39 -3.35 114.58 117.00 1tru h GLU 103 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1tru h GLU 103 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1tru h GLU 103 CO 0.00 0.34 0.04 1.28 -0.73 0.00 0.00 179.01 179.95 1tru n LEU 104 N -4.71 5.61 0.00 1.64 4.77 -1.18 -5.11 117.00 118.02 1tru n LEU 104 Ca -0.05 -2.86 0.06 0.00 -0.03 0.00 0.00 56.01 53.13 1tru n LEU 104 Cb 0.19 -0.69 0.34 0.00 -2.33 0.00 0.00 43.42 40.92 1tru n LEU 104 CO 0.12 0.64 0.56 0.55 -1.33 0.00 0.00 177.39 177.92