#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 -0.20 1.12 1.01 -1.26 -3.03 120.40 118.19 1tru s VAL 2 Ca 0.00 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.47 1tru s VAL 2 Cb 0.00 -1.54 0.10 0.00 0.00 0.00 0.00 36.38 34.94 1tru s VAL 2 CO 0.00 -0.67 0.38 -0.75 0.00 0.00 0.00 175.10 174.07 1tru s LYS 3 N -3.91 0.30 -0.20 2.72 2.20 -1.12 -4.99 119.74 114.74 1tru s LYS 3 Ca 0.09 0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 56.31 1tru s LYS 3 Cb 0.06 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1tru s LYS 3 CO -0.08 -0.34 1.01 -1.14 -0.36 0.00 0.00 175.35 174.45 1tru s GLN 4 N 2.57 4.29 -0.42 4.03 0.74 -1.26 -2.94 119.66 126.67 1tru s GLN 4 Ca 0.02 1.33 -0.23 0.00 0.05 0.00 0.00 55.36 56.52 1tru s GLN 4 Cb -0.13 -3.62 0.02 0.00 1.10 0.00 0.00 33.01 30.39 1tru s GLN 4 CO -0.13 -0.54 0.77 0.42 -0.55 0.00 0.00 175.29 175.26 1tru s ILE 5 N 2.88 4.69 -0.23 -2.34 -1.09 -1.19 -4.89 121.20 119.04 1tru s ILE 5 Ca 0.44 0.53 0.22 0.00 -2.23 0.00 0.00 60.65 59.61 1tru s ILE 5 Cb -0.16 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1tru s ILE 5 CO 0.09 -0.62 1.03 -0.62 -1.23 0.00 0.00 174.94 173.59 1tru n GLU 6 N 6.58 0.61 -3.59 2.79 1.02 -1.26 -4.61 120.64 122.19 1tru n GLU 6 Ca 0.02 0.12 -0.10 0.00 -0.02 0.00 0.00 57.16 57.18 1tru n GLU 6 Cb 0.48 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1tru s SER 7 N -5.35 -0.44 0.61 1.62 1.04 -1.26 -4.41 113.70 105.51 1tru s SER 7 Ca -0.01 -0.23 0.29 0.00 0.48 0.00 0.00 55.95 56.48 1tru s SER 7 Cb 0.10 0.63 1.57 0.00 0.10 0.00 0.00 66.02 68.42 1tru s SER 7 CO 0.79 -1.09 1.95 0.50 0.98 0.00 0.00 173.24 176.38 1tru h LYS 8 N 2.03 0.00 0.71 4.02 3.64 -1.93 -1.68 116.57 123.36 1tru h LYS 8 Ca -0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 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 0.34 0.00 -0.36 1.15 -2.27 0.00 0.00 179.45 178.31 1tru h THR 9 N 0.00 0.27 0.00 1.00 2.02 -2.01 -2.01 112.91 112.17 1tru h THR 9 Ca 0.12 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1tru h THR 9 Cb 0.87 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1tru h THR 9 CO -0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1tru h ALA 10 N -0.70 1.32 0.35 6.16 0.00 -1.72 -2.89 119.26 121.78 1tru h ALA 10 Ca -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1tru h ALA 10 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1tru h ALA 10 CO 0.15 0.10 -0.17 0.35 0.00 0.00 0.00 179.25 179.68 1tru h PHE 11 N 0.00 -0.44 0.28 0.00 3.57 -1.02 0.17 116.94 119.51 1tru h PHE 11 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 11 Cb 0.24 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1tru h PHE 11 CO 0.00 -0.23 -0.13 1.96 -2.23 0.00 0.00 178.31 177.67 1tru h GLN 12 N -0.54 -0.36 -0.13 1.11 4.20 -1.27 -2.40 115.11 115.73 1tru h GLN 12 Ca -0.05 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1tru h GLN 12 Cb 0.40 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1tru h GLN 12 CO 0.08 -0.12 0.10 0.93 -0.67 0.00 0.00 178.83 179.15 1tru h GLU 13 N -0.56 0.00 -0.32 1.46 3.07 -1.52 -1.53 114.58 115.18 1tru h GLU 13 Ca -0.04 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.68 1tru h GLU 13 Cb 0.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1tru h GLU 13 CO 0.06 0.00 -0.37 0.00 -1.40 0.00 0.00 179.01 177.31 1tru h ALA 14 N 1.91 0.47 -0.26 3.43 0.00 -0.27 -0.48 119.26 124.07 1tru h ALA 14 Ca 0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1tru h ALA 14 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1tru h ALA 14 CO -0.00 0.56 -0.24 -0.07 0.00 0.00 0.00 179.25 179.50 1tru h LEU 15 N 0.58 0.66 -0.97 0.00 3.38 -0.82 -2.11 115.31 116.03 1tru h LEU 15 Ca 0.04 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1tru h LEU 15 Cb 0.95 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1tru h LEU 15 CO 0.09 0.99 -0.29 -0.78 0.09 0.00 0.00 178.44 178.53 1tru h ASP 16 N 0.34 0.40 0.63 -0.43 1.82 -1.38 -2.46 116.42 115.35 1tru h ASP 16 Ca 0.04 -0.14 -0.08 0.00 -0.39 0.00 0.00 57.03 56.46 1tru h ASP 16 Cb 0.79 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 1tru h ASP 16 CO 0.06 0.69 -0.39 0.00 -1.61 0.00 0.00 179.24 177.98 1tru h ALA 17 N 1.35 1.12 -0.54 -0.78 0.00 -0.97 -2.85 119.26 116.58 1tru h ALA 17 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1tru h ALA 17 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1tru h ALA 17 CO 0.05 0.49 0.21 0.00 0.00 0.00 0.00 179.25 180.00 1tru h ALA 18 N 1.61 1.35 0.00 0.00 0.00 -0.88 -3.47 119.26 117.86 1tru h ALA 18 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1tru h ALA 18 Cb 0.81 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1tru h ALA 18 CO 0.05 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1tru n GLY 19 N -1.06 1.88 0.04 0.00 0.00 -1.08 -3.24 105.19 101.73 1tru n GLY 19 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 6.41 0.70 -4.83 1.61 9.92 -1.26 -4.00 116.55 125.09 1tru n ASP 20 Ca 0.00 -1.45 -0.31 0.00 -0.53 0.00 0.00 54.79 52.50 1tru n ASP 20 Cb 0.00 -0.03 0.06 0.00 -0.64 0.00 0.00 41.12 40.51 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 -0.41 2.78 0.72 -1.24 1.02 -1.20 -4.80 119.74 116.60 1tru s LYS 21 Ca 0.01 0.74 -0.15 0.00 0.02 0.00 0.00 55.97 56.59 1tru s LYS 21 Cb 0.01 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1tru s LYS 21 CO 0.00 -1.16 1.21 -1.17 -0.92 0.00 0.00 175.35 173.31 1tru s LEU 22 N -5.53 3.34 -0.31 3.17 0.20 -1.26 -4.59 118.68 113.70 1tru s LEU 22 Ca 0.58 2.35 0.00 0.00 0.69 0.00 0.00 54.13 57.76 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 -2.20 0.29 -0.69 -0.29 0.00 0.00 176.35 174.00 1tru s VAL 23 N -1.96 -0.31 -0.31 1.68 1.01 -1.05 -3.17 120.40 116.28 1tru s VAL 23 Ca 0.74 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1tru s VAL 23 Cb -0.29 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1tru s VAL 23 CO 0.44 -0.56 0.22 -0.69 0.00 0.00 0.00 175.10 174.51 1tru s VAL 24 N 2.02 5.29 -0.10 2.92 1.01 -1.05 -0.34 120.40 130.15 1tru s VAL 24 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 1tru s VAL 24 Cb -0.15 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1tru s VAL 24 CO -0.24 0.12 0.28 -0.69 0.00 0.00 0.00 175.10 174.57 1tru s VAL 25 N 1.76 5.28 -0.30 2.92 1.01 0.43 -2.63 120.40 128.87 1tru s VAL 25 Ca 0.07 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 1tru s VAL 25 Cb -0.17 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1tru s VAL 25 CO 0.11 0.52 0.05 -0.62 0.00 0.00 0.00 175.10 175.15 1tru s ASP 26 N -0.46 4.97 -0.50 3.32 2.15 -0.80 -1.06 116.67 124.29 1tru s ASP 26 Ca 0.18 -0.91 -0.16 0.00 0.43 0.00 0.00 52.55 52.09 1tru s ASP 26 Cb -0.14 -1.81 0.09 0.00 -0.30 0.00 0.00 42.92 40.76 1tru s ASP 26 CO 0.07 -0.22 0.46 -0.36 -0.17 0.00 0.00 175.17 174.95 1tru s PHE 27 N 1.41 3.22 0.21 -5.34 0.08 0.21 -2.88 117.98 114.89 1tru s PHE 27 Ca 0.00 -1.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.01 1tru s PHE 27 Cb -0.18 -3.45 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 1tru s PHE 27 CO 0.01 -0.91 0.20 -1.54 -0.10 0.00 0.00 175.22 172.87 1tru s SER 28 N 2.98 0.11 -0.53 1.36 1.04 -1.21 -1.66 113.70 115.78 1tru s SER 28 Ca 0.05 -1.30 -0.17 0.00 0.48 0.00 0.00 55.95 55.01 1tru s SER 28 Cb -0.26 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.38 1tru s SER 28 CO 0.06 -0.90 0.55 0.00 0.98 0.00 0.00 173.24 173.93 1tru s ALA 29 N -4.13 3.52 0.54 5.32 0.00 -1.26 -3.14 121.76 122.61 1tru s ALA 29 Ca 0.36 -2.22 0.24 0.00 0.00 0.00 0.00 51.96 50.34 1tru s ALA 29 Cb 0.06 -3.30 1.43 0.00 0.00 0.00 0.00 23.12 21.31 1tru s ALA 29 CO 0.11 -2.03 2.04 0.00 0.00 0.00 0.00 175.76 175.89 1tru h THR 30 N 5.86 0.71 -0.02 0.00 1.03 -1.95 0.34 112.91 118.87 1tru h THR 30 Ca -0.29 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.87 1tru h THR 30 Cb 1.10 0.80 0.01 0.00 -1.07 0.00 0.00 68.15 68.99 1tru h THR 30 CO 1.00 0.00 -0.94 4.11 -0.01 0.00 0.00 175.52 179.68 1tru h TRP 31 N 0.00 0.81 -2.96 0.00 5.08 -2.02 -3.45 115.95 113.41 1tru h TRP 31 Ca 0.17 -0.42 -0.47 0.00 1.08 0.00 0.00 58.89 59.24 1tru h TRP 31 Cb 0.73 -0.10 0.22 0.00 -3.00 0.00 0.00 29.16 27.01 1tru h TRP 31 CO 0.00 1.25 -0.56 0.00 -1.28 0.00 0.00 178.44 177.84 1tru n GLY 33 N 1.48 -0.38 0.35 0.00 0.00 -1.26 -3.94 105.19 101.43 1tru n GLY 33 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 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 0.07 1.61 0.11 -1.96 0.07 132.00 131.90 1tru h PRO 34 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1tru h PRO 34 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1tru h PRO 34 CO 0.00 0.00 -0.60 0.00 -0.21 0.00 0.00 178.00 177.19 1tru n LYS 36 N -4.31 0.16 0.07 0.00 4.81 -0.08 -2.01 118.16 116.79 1tru n LYS 36 Ca -0.15 0.48 0.09 0.00 -0.87 0.00 0.00 58.31 57.86 1tru n LYS 36 Cb 0.69 -1.87 0.39 0.00 0.02 0.00 0.00 35.03 34.26 1tru n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1tru n MET 37 N -2.18 0.10 -0.90 1.64 2.81 -0.65 -2.21 117.12 115.73 1tru n MET 37 Ca 0.01 0.38 -0.05 0.00 -1.81 0.00 0.00 57.70 56.23 1tru n MET 37 Cb 0.16 -1.70 0.27 0.00 -0.71 0.00 0.00 33.22 31.24 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1tru n ILE 38 N -1.88 2.61 0.05 2.02 5.41 -0.85 -4.33 119.36 122.38 1tru n ILE 38 Ca 0.02 -1.39 0.02 0.00 1.00 0.00 0.00 62.75 62.40 1tru n ILE 38 Cb 0.17 -0.41 -0.06 0.00 -0.71 0.00 0.00 39.64 38.63 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 2.38 0.00 0.00 0.38 2.10 -1.67 -3.24 116.57 116.52 1tru h LYS 39 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1tru h LYS 39 Cb 2.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.46 1tru h LYS 39 CO 0.65 0.26 0.00 -0.35 -2.00 0.00 0.00 179.45 178.01 1tru n PRO 40 N -2.89 0.71 0.00 0.07 -0.04 -1.26 -2.72 135.00 128.87 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 0.40 0.54 3.72 -1.25 -4.36 117.46 115.74 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 -0.93 0.00 1.38 3.57 -1.68 -1.91 116.94 117.37 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 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1tru h PHE 42 CO 0.00 -0.58 0.00 1.58 -2.23 0.00 0.00 178.31 177.08 1tru n HIS 43 N -4.70 0.00 0.02 0.41 -0.00 -1.10 -2.04 115.22 107.82 1tru n HIS 43 Ca -0.12 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.02 1tru n HIS 43 Cb 0.40 -0.18 -0.10 0.00 -0.12 0.00 0.00 29.99 29.98 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 0.01 0.26 0.87 -1.28 -3.30 113.55 110.12 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 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1tru h SER 44 CO 0.00 0.79 0.00 0.18 -0.53 0.00 0.00 176.83 177.27 1tru n LEU 45 N -3.03 0.03 -0.15 2.23 4.77 -0.86 -1.89 117.00 118.09 1tru n LEU 45 Ca -0.11 0.51 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 1tru n LEU 45 Cb 0.93 -0.52 0.38 0.00 -2.33 0.00 0.00 43.42 41.88 1tru n LEU 45 CO 0.44 -0.52 1.21 0.28 -1.33 0.00 0.00 177.39 177.47 1tru h SER 46 N 0.00 0.61 0.88 -1.43 0.02 -1.75 0.40 113.55 112.28 1tru h SER 46 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 1tru h SER 46 Cb 0.01 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1tru h SER 46 CO 0.00 0.40 -1.19 -0.33 -1.14 0.00 0.00 176.83 174.57 1tru h GLU 47 N 0.70 0.00 0.00 3.45 4.39 -1.67 -3.37 114.58 118.08 1tru h GLU 47 Ca 0.29 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 1tru h GLU 47 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1tru h GLU 47 CO -0.09 0.20 -0.48 -0.22 -1.16 0.00 0.00 179.01 177.25 1tru h LYS 48 N 0.00 0.00 -3.69 2.33 3.64 -1.39 -3.42 116.57 114.04 1tru h LYS 48 Ca -0.10 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.57 1tru h LYS 48 Cb 1.37 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.86 1tru h LYS 48 CO 0.03 0.65 -0.26 0.71 -2.27 0.00 0.00 179.45 178.31 1tru s TYR 49 N -2.15 3.49 -1.15 1.91 2.02 0.13 -4.90 117.35 116.71 1tru s TYR 49 Ca -0.18 -2.52 0.19 0.00 -0.37 0.00 0.00 57.07 54.19 1tru s TYR 49 Cb 0.01 -3.35 0.86 0.00 -0.40 0.00 0.00 41.96 39.08 1tru s TYR 49 CO 0.46 -0.88 1.60 -1.13 -1.57 0.00 0.00 175.55 174.02 1tru n SER 50 N 3.67 0.00 -2.20 2.29 3.41 -1.26 -2.95 113.62 116.58 1tru n SER 50 Ca 0.08 0.33 -0.24 0.00 -0.26 0.00 0.00 58.87 58.79 1tru n SER 50 Cb 0.40 -0.43 0.17 0.00 -0.26 0.00 0.00 64.21 64.09 1tru n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tru n ASN 51 N -1.43 3.86 -4.00 4.04 5.15 -1.26 -4.48 115.26 117.15 1tru n ASN 51 Ca 0.06 -3.57 -0.20 0.00 -0.60 0.00 0.00 54.58 50.27 1tru n ASN 51 Cb 0.20 -0.84 -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 -3.26 0.78 -0.35 3.44 1.01 -1.15 -4.67 120.40 116.20 1tru s VAL 52 Ca 0.56 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 1tru s VAL 52 Cb 0.47 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1tru s VAL 52 CO 0.10 0.24 0.35 -0.63 0.00 0.00 0.00 175.10 175.16 1tru s ILE 53 N 0.20 5.18 -0.19 2.22 -1.09 -1.19 -3.94 121.20 122.39 1tru s ILE 53 Ca -0.03 -0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1tru s ILE 53 Cb -0.09 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1tru s ILE 53 CO 0.00 -0.10 0.02 -0.36 -1.23 0.00 0.00 174.94 173.28 1tru s PHE 54 N 1.98 3.12 -0.11 3.97 0.08 -1.17 -2.53 117.98 123.31 1tru s PHE 54 Ca 0.11 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.94 1tru s PHE 54 Cb -0.17 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1tru s PHE 54 CO 0.12 -0.04 0.01 -0.51 -0.10 0.00 0.00 175.22 174.69 1tru s LEU 55 N 0.66 3.57 -0.34 -0.37 1.02 -1.08 -2.79 118.68 119.35 1tru s LEU 55 Ca 0.01 0.09 -0.03 0.00 0.02 0.00 0.00 54.13 54.22 1tru s LEU 55 Cb -0.14 -1.84 0.06 0.00 0.02 0.00 0.00 46.19 44.30 1tru s LEU 55 CO 0.02 0.31 0.08 -0.70 0.02 0.00 0.00 176.35 176.08 1tru s GLU 56 N -0.48 2.35 -0.17 1.70 2.12 -1.15 -1.91 118.70 121.16 1tru s GLU 56 Ca 0.09 -1.40 -0.05 0.00 0.36 0.00 0.00 54.97 53.97 1tru s GLU 56 Cb -0.12 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1tru s GLU 56 CO 0.02 -0.75 0.00 0.08 -0.54 0.00 0.00 175.26 174.07 1tru s VAL 57 N 1.25 4.16 -0.32 3.70 1.01 -1.14 -3.15 120.40 125.91 1tru s VAL 57 Ca -0.01 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1tru s VAL 57 Cb -0.21 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1tru s VAL 57 CO -0.01 0.47 0.38 -0.62 0.00 0.00 0.00 175.10 175.31 1tru s ASP 58 N 0.54 6.21 0.00 3.32 2.15 -1.26 -3.35 116.67 124.27 1tru s ASP 58 Ca -0.01 -0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.93 1tru s ASP 58 Cb -0.14 -2.21 0.11 0.00 -0.30 0.00 0.00 42.92 40.39 1tru s ASP 58 CO 0.02 -0.30 0.39 1.33 -0.17 0.00 0.00 175.17 176.44 1tru n VAL 59 N 5.22 0.00 -0.05 1.11 0.24 -1.19 -0.99 118.33 122.68 1tru n VAL 59 Ca -0.09 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 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 -0.68 3.23 -0.02 -1.34 9.92 -1.26 -4.36 116.55 122.05 1tru n ASP 60 Ca 0.01 -0.05 -0.21 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.15 -0.13 0.00 -0.64 0.00 0.00 41.12 40.20 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 0.29 -1.99 -2.24 1.82 -1.83 -3.37 116.42 109.10 1tru h ASP 61 Ca -0.21 -0.81 -0.75 0.00 -0.39 0.00 0.00 57.03 54.87 1tru h ASP 61 Cb 1.33 -0.10 -0.29 0.00 0.68 0.00 0.00 39.33 40.95 1tru h ASP 61 CO -0.03 1.61 0.80 0.00 -1.61 0.00 0.00 179.24 180.01 1tru n ALA 62 N -3.05 6.23 0.13 -0.78 0.00 -0.17 -4.72 120.51 118.16 1tru n ALA 62 Ca -0.27 -4.24 0.08 0.00 0.00 0.00 0.00 53.44 49.01 1tru n ALA 62 Cb 0.86 -1.82 0.44 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.45 0.10 -0.06 0.00 10.64 -1.26 -0.98 117.38 125.38 1tru n GLN 63 Ca 0.50 0.59 -0.16 0.00 -1.83 0.00 0.00 57.00 56.11 1tru n GLN 63 Cb 0.29 -1.90 -0.05 0.00 -0.86 0.00 0.00 30.24 27.71 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 0.98 0.23 2.61 2.03 -1.93 -0.94 116.42 119.40 1tru h ASP 64 Ca 0.00 -0.57 -0.21 0.00 -0.73 0.00 0.00 57.03 55.52 1tru h ASP 64 Cb 0.12 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.33 1tru h ASP 64 CO 0.00 1.37 -0.82 0.58 -1.03 0.00 0.00 179.24 179.34 1tru h VAL 65 N 0.63 1.37 -0.35 4.15 2.07 -1.44 -2.32 116.25 120.37 1tru h VAL 65 Ca -0.01 -2.24 -0.10 0.00 0.82 0.00 0.00 66.70 65.17 1tru h VAL 65 Cb 1.26 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 1tru h VAL 65 CO 0.14 0.68 -0.19 0.00 0.02 0.00 0.00 177.57 178.22 1tru h ALA 66 N 0.80 1.02 0.28 1.67 0.00 -1.43 0.25 119.26 121.85 1tru h ALA 66 Ca -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1tru h ALA 66 Cb 1.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1tru h ALA 66 CO 0.15 0.59 -0.13 0.77 0.00 0.00 0.00 179.25 180.62 1tru h SER 67 N 0.58 -0.31 -0.20 0.00 0.02 -1.11 -1.63 113.55 110.90 1tru h SER 67 Ca 0.09 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1tru h SER 67 Cb 0.64 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1tru h SER 67 CO 0.05 0.13 0.04 -0.08 -1.14 0.00 0.00 176.83 175.82 1tru h GLU 68 N -0.85 0.43 0.00 3.45 4.22 -1.40 -0.31 114.58 120.12 1tru h GLU 68 Ca -0.04 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1tru h GLU 68 Cb 0.51 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1tru h GLU 68 CO 0.06 0.43 0.00 0.00 -2.18 0.00 0.00 179.01 177.32 1tru n ALA 69 N -2.48 1.93 -3.65 2.92 0.00 0.88 -4.88 120.51 115.21 1tru n ALA 69 Ca 0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1tru n ALA 69 Cb 0.19 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.80 -7.53 -2.85 0.00 2.13 -0.13 -4.92 120.64 105.54 1tru n GLU 70 Ca 0.04 0.79 -0.43 0.00 0.66 0.00 0.00 57.16 58.22 1tru n GLU 70 Cb 0.27 -5.82 -0.04 0.00 0.27 0.00 0.00 31.44 26.12 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 -3.32 4.46 -0.09 6.31 1.01 -0.88 -4.83 120.40 123.07 1tru s VAL 71 Ca 0.59 0.52 0.12 0.00 0.00 0.00 0.00 61.98 63.22 1tru s VAL 71 Cb -0.27 -4.46 0.19 0.00 0.00 0.00 0.00 36.38 31.85 1tru s VAL 71 CO 0.75 -0.93 1.10 0.29 0.00 0.00 0.00 175.10 176.31 1tru n LYS 72 N 7.22 1.88 -3.31 2.72 4.76 -1.26 -4.88 118.16 125.29 1tru n LYS 72 Ca 0.04 -2.21 -0.11 0.00 -2.87 0.00 0.00 58.31 53.16 1tru n LYS 72 Cb 0.48 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 32.28 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 -2.23 -1.05 0.23 7.82 0.00 -1.26 -5.15 121.76 120.12 1tru s ALA 73 Ca 0.21 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1tru s ALA 73 Cb 0.18 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 1tru s ALA 73 CO 0.02 -2.14 0.45 0.95 0.00 0.00 0.00 175.76 175.04 1tru s THR 74 N 1.61 5.13 0.48 0.00 -4.23 -1.26 -4.06 115.64 113.32 1tru s THR 74 Ca 0.16 -0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.29 1tru s THR 74 Cb -0.12 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.06 -0.22 1.00 -2.16 -0.54 0.00 0.00 174.62 172.65 1tru s PRO 75 N -3.38 3.91 -0.03 3.99 0.04 -1.26 -5.01 135.00 133.26 1tru s PRO 75 Ca 0.41 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.65 1tru s PRO 75 Cb -0.11 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1tru s PRO 75 CO 0.29 -0.32 0.02 0.99 0.04 0.00 0.00 177.00 178.02 1tru s THR 76 N -2.20 0.09 -0.16 1.26 2.01 -0.67 -3.31 115.64 112.67 1tru s THR 76 Ca 0.64 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 1tru s THR 76 Cb -0.13 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1tru s THR 76 CO 0.21 0.15 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.91 1tru s PHE 77 N 1.28 3.07 -0.00 4.92 0.40 -1.15 -0.61 117.98 125.89 1tru s PHE 77 Ca -0.06 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 1tru s PHE 77 Cb -0.13 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 1tru s PHE 77 CO -0.02 0.01 -0.22 -0.65 0.70 0.00 0.00 175.22 175.03 1tru s GLN 78 N 0.34 2.11 -0.36 0.44 -0.21 -0.22 -2.28 119.66 119.49 1tru s GLN 78 Ca -0.03 -0.93 -0.08 0.00 0.02 0.00 0.00 55.36 54.34 1tru s GLN 78 Cb -0.14 -2.12 0.05 0.00 1.00 0.00 0.00 33.01 31.80 1tru s GLN 78 CO 0.02 0.56 0.16 -0.06 -2.12 0.00 0.00 175.29 173.85 1tru s PHE 79 N -0.73 3.28 0.27 0.91 0.40 0.93 -0.42 117.98 122.61 1tru s PHE 79 Ca 0.11 -1.37 0.08 0.00 -0.60 0.00 0.00 56.93 55.16 1tru s PHE 79 Cb -0.10 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1tru s PHE 79 CO 0.01 -0.74 0.16 -0.06 0.70 0.00 0.00 175.22 175.29 1tru s PHE 80 N 1.43 2.98 -0.21 0.36 0.08 0.54 -1.16 117.98 122.00 1tru s PHE 80 Ca 0.00 -0.17 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 1tru s PHE 80 Cb -0.20 -1.41 0.08 0.00 -0.57 0.00 0.00 43.02 40.92 1tru s PHE 80 CO 0.03 0.50 0.47 0.21 -0.10 0.00 0.00 175.22 176.33 1tru s LYS 81 N -3.82 0.43 -1.40 0.44 2.47 0.08 -2.54 119.74 115.40 1tru s LYS 81 Ca 0.34 1.00 0.00 0.00 -1.56 0.00 0.00 55.97 55.74 1tru s LYS 81 Cb -0.07 0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.50 1tru s LYS 81 CO 0.24 -0.19 0.00 1.63 0.16 0.00 0.00 175.35 177.18 1tru n LYS 82 N 4.78 -1.36 -0.77 4.03 5.02 -1.26 0.76 118.16 129.37 1tru n LYS 82 Ca -0.17 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1tru n LYS 82 Cb 0.53 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 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 -0.20 0.68 3.04 0.72 0.00 -1.26 -4.97 105.19 103.21 1tru n GLY 83 Ca -0.13 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.62 1.94 -0.05 1.61 -0.21 0.23 -5.09 119.66 116.47 1tru s GLN 84 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 1tru s GLN 84 Cb 0.00 -1.62 -0.06 0.00 1.00 0.00 0.00 33.01 32.33 1tru s GLN 84 CO 0.00 0.00 1.69 0.21 -2.12 0.00 0.00 175.29 175.07 1tru s LYS 85 N 0.78 4.15 -0.04 2.91 2.20 -1.26 -0.74 119.74 127.75 1tru s LYS 85 Ca -0.12 2.21 0.08 0.00 -0.36 0.00 0.00 55.97 57.78 1tru s LYS 85 Cb -0.16 -4.01 -0.12 0.00 -1.51 0.00 0.00 37.83 32.03 1tru s LYS 85 CO 0.02 -0.88 0.13 1.33 -0.36 0.00 0.00 175.35 175.59 1tru n VAL 86 N 5.54 0.22 -3.57 4.02 0.24 -0.31 -4.94 118.33 119.53 1tru n VAL 86 Ca 0.18 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1tru n VAL 86 Cb 0.43 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 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 -3.41 -0.40 -0.21 7.63 0.00 -0.98 -5.02 107.32 104.94 1tru s GLY 87 Ca -0.04 0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 1tru s GLY 87 CO 0.36 -0.05 1.10 1.85 0.00 0.00 0.00 173.10 176.36 1tru s GLU 88 N -3.80 0.44 -0.29 2.90 2.12 -1.26 -0.05 118.70 118.76 1tru s GLU 88 Ca 0.04 0.15 -0.18 0.00 0.36 0.00 0.00 54.97 55.34 1tru s GLU 88 Cb -0.01 0.21 0.13 0.00 0.26 0.00 0.00 34.13 34.72 1tru s GLU 88 CO -0.09 -0.13 0.93 -0.59 -0.54 0.00 0.00 175.26 174.84 1tru s PHE 89 N -0.91 -0.65 -0.13 5.30 -0.12 -0.97 -4.99 117.98 115.51 1tru s PHE 89 Ca 0.02 1.35 -0.05 0.00 -0.05 0.00 0.00 56.93 58.19 1tru s PHE 89 Cb -0.01 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.02 -0.32 0.04 -1.54 -0.05 0.00 0.00 175.22 173.33 1tru s SER 90 N 1.15 5.53 0.00 1.98 1.04 -1.26 -2.92 113.70 119.22 1tru s SER 90 Ca -0.07 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1tru s SER 90 Cb -0.04 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1tru s SER 90 CO -0.14 0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1tru n GLY 91 N 2.71 4.02 2.11 7.32 0.00 -1.21 -4.97 105.19 115.17 1tru n GLY 91 Ca -0.18 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 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 6.72 -3.49 4.61 0.00 -1.26 -4.74 120.51 121.10 1tru n ALA 92 Ca 0.00 -2.38 -0.41 0.00 0.00 0.00 0.00 53.44 50.65 1tru n ALA 92 Cb 0.00 -2.68 -0.04 0.00 0.00 0.00 0.00 19.45 16.73 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 2.08 6.45 0.47 0.00 3.84 -1.26 -4.88 114.94 121.64 1tru s ASN 93 Ca 0.67 -3.31 0.12 0.00 0.21 0.00 0.00 52.86 50.55 1tru s ASN 93 Cb 0.27 -2.06 1.09 0.00 -0.55 0.00 0.00 41.25 40.00 1tru s ASN 93 CO -0.02 -0.33 2.11 0.07 -2.79 0.00 0.00 177.10 176.14 1tru h LYS 94 N 6.77 0.24 0.00 0.43 -0.00 -1.98 -0.07 116.57 121.96 1tru h LYS 94 Ca 0.13 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.65 60.71 1tru h LYS 94 Cb 0.91 -0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1tru h LYS 94 CO 0.86 0.16 -0.22 0.93 -0.00 0.00 0.00 179.45 181.17 1tru h GLU 95 N 0.25 0.00 -0.49 0.07 4.39 -1.99 -2.77 114.58 114.04 1tru h GLU 95 Ca 0.07 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 1tru h GLU 95 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1tru h GLU 95 CO -0.01 0.22 -0.19 -0.22 -1.16 0.00 0.00 179.01 177.64 1tru h LYS 96 N 0.00 0.98 -1.00 2.33 3.64 -1.41 -2.82 116.57 118.29 1tru h LYS 96 Ca -0.00 -0.40 0.24 0.00 -1.27 0.00 0.00 60.65 59.21 1tru h LYS 96 Cb 0.57 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.26 1tru h LYS 96 CO 0.03 1.08 0.64 -0.07 -2.27 0.00 0.00 179.45 178.85 1tru h LEU 97 N 0.85 0.49 0.53 5.20 3.38 -1.47 0.19 115.31 124.49 1tru h LEU 97 Ca 0.12 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1tru h LEU 97 Cb 0.76 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1tru h LEU 97 CO 0.06 0.14 -0.26 -0.08 0.09 0.00 0.00 178.44 178.40 1tru h GLU 98 N 0.46 -0.69 -0.87 1.13 4.81 -1.61 0.25 114.58 118.06 1tru h GLU 98 Ca 0.56 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.95 1tru h GLU 98 Cb 1.31 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 1tru h GLU 98 CO -0.28 -0.46 0.56 0.00 -0.73 0.00 0.00 179.01 178.10 1tru h ALA 99 N -1.43 1.72 -0.09 2.92 0.00 -1.43 -1.16 119.26 119.79 1tru h ALA 99 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 99 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tru h ALA 99 CO 0.12 0.08 -0.16 1.15 0.00 0.00 0.00 179.25 180.44 1tru h THR 100 N 0.79 1.39 -0.97 0.00 2.02 -0.61 -2.85 112.91 112.68 1tru h THR 100 Ca 0.42 -1.42 0.07 0.00 0.77 0.00 0.00 66.41 66.24 1tru h THR 100 Cb 0.52 2.10 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 1tru h THR 100 CO -0.18 0.40 0.63 0.40 0.37 0.00 0.00 175.52 177.14 1tru h ILE 101 N -0.18 1.08 0.00 3.11 2.04 0.14 0.49 117.51 124.19 1tru h ILE 101 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.72 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1tru h ILE 101 CO 0.04 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 175.19 1tru n ASN 102 N -4.50 0.00 -0.06 1.72 5.15 -0.50 -2.11 115.26 114.97 1tru n ASN 102 Ca 0.15 -0.30 -0.04 0.00 -0.60 0.00 0.00 54.58 53.79 1tru n ASN 102 Cb 0.19 -0.16 -0.04 0.00 -0.53 0.00 0.00 39.78 39.24 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 0.24 -3.35 114.58 116.57 1tru h GLU 103 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1tru h GLU 103 Cb 0.11 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 1tru h GLU 103 CO 0.00 0.30 0.09 1.28 -1.18 0.00 0.00 179.01 179.50 1tru n LEU 104 N -4.72 5.57 0.00 1.64 4.77 -1.19 -5.12 117.00 117.95 1tru n LEU 104 Ca -0.04 -2.85 0.06 0.00 -0.03 0.00 0.00 56.01 53.15 1tru n LEU 104 Cb 0.16 -0.70 0.35 0.00 -2.33 0.00 0.00 43.42 40.90 1tru n LEU 104 CO 0.10 0.66 0.56 0.55 -1.33 0.00 0.00 177.39 177.94