#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 -0.19 2.03 1.01 -1.26 -3.09 120.40 119.05 1tru s VAL 2 Ca 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 1tru s VAL 2 Cb 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 34.99 1tru s VAL 2 CO 0.00 -0.67 0.39 -0.75 0.00 0.00 0.00 175.10 174.07 1tru s LYS 3 N -3.90 0.29 -0.18 2.72 2.20 -1.16 -5.00 119.74 114.72 1tru s LYS 3 Ca 0.08 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.38 1tru s LYS 3 Cb 0.05 0.26 -0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1tru s LYS 3 CO -0.09 -0.26 1.01 -1.14 -0.36 0.00 0.00 175.35 174.51 1tru s GLN 4 N 2.58 4.33 -0.43 4.03 0.74 -1.26 -2.91 119.66 126.73 1tru s GLN 4 Ca -0.01 1.35 -0.23 0.00 0.05 0.00 0.00 55.36 56.52 1tru s GLN 4 Cb -0.12 -3.60 0.02 0.00 1.10 0.00 0.00 33.01 30.41 1tru s GLN 4 CO -0.12 -0.49 0.77 0.42 -0.55 0.00 0.00 175.29 175.32 1tru s ILE 5 N 2.66 4.68 -0.29 -2.34 -1.09 -1.16 -4.88 121.20 118.78 1tru s ILE 5 Ca 0.45 0.48 0.23 0.00 -2.23 0.00 0.00 60.65 59.58 1tru s ILE 5 Cb -0.16 -4.29 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1tru s ILE 5 CO 0.11 -0.66 1.09 -0.33 -1.23 0.00 0.00 174.94 173.92 1tru h GLU 6 N 8.89 0.00 -3.01 2.79 5.08 -1.94 -3.41 114.58 122.97 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 0.95 0.00 0.21 -1.54 -1.00 0.00 0.00 179.01 177.62 1tru s SER 7 N -5.23 -0.48 0.60 1.42 1.04 -1.26 -4.34 113.70 105.45 1tru s SER 7 Ca 0.00 -0.17 0.29 0.00 0.48 0.00 0.00 55.95 56.55 1tru s SER 7 Cb 0.10 0.63 1.53 0.00 0.10 0.00 0.00 66.02 68.38 1tru s SER 7 CO 0.78 -1.07 1.94 0.50 0.98 0.00 0.00 173.24 176.37 1tru h LYS 8 N 2.01 0.00 0.59 4.02 3.64 -1.92 -1.51 116.57 123.39 1tru h LYS 8 Ca -0.30 0.00 -0.02 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 -0.34 1.15 -2.27 0.00 0.00 179.45 178.33 1tru h THR 9 N 0.00 0.30 0.00 1.00 2.02 -2.01 -1.78 112.91 112.45 1tru h THR 9 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1tru h THR 9 Cb 0.97 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 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 -0.50 1.28 0.33 6.16 0.00 -1.69 -2.86 119.26 121.97 1tru h ALA 10 Ca -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1tru h ALA 10 CO 0.09 0.10 -0.16 0.35 0.00 0.00 0.00 179.25 179.63 1tru h PHE 11 N 0.00 -0.41 -0.27 0.00 3.57 -0.98 0.89 116.94 119.74 1tru h PHE 11 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.25 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1tru h PHE 11 CO 0.00 -0.22 0.09 1.96 -2.23 0.00 0.00 178.31 177.91 1tru h GLN 12 N -0.49 0.41 -0.38 1.11 1.08 -1.28 -2.29 115.11 113.27 1tru h GLN 12 Ca -0.04 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1tru h GLN 12 Cb 0.37 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1tru h GLN 12 CO 0.07 0.46 0.26 0.93 -0.95 0.00 0.00 178.83 179.60 1tru h GLU 13 N 0.27 0.37 -0.27 1.46 4.39 -1.41 -1.26 114.58 118.13 1tru h GLU 13 Ca 0.09 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 1tru h GLU 13 Cb 0.22 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1tru h GLU 13 CO -0.00 0.25 -0.44 0.00 -1.16 0.00 0.00 179.01 177.65 1tru h ALA 14 N 1.78 0.72 -0.13 3.43 0.00 -0.34 0.95 119.26 125.67 1tru h ALA 14 Ca 0.16 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1tru h ALA 14 Cb 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1tru h ALA 14 CO -0.04 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.70 1tru h LEU 15 N 0.55 0.32 -0.63 0.00 3.38 -0.73 -0.32 115.31 117.87 1tru h LEU 15 Ca 0.04 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1tru h LEU 15 Cb 0.98 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1tru h LEU 15 CO 0.09 0.71 -0.26 -0.78 0.09 0.00 0.00 178.44 178.29 1tru h ASP 16 N -0.07 0.81 0.66 -0.43 1.82 -1.30 -2.66 116.42 115.26 1tru h ASP 16 Ca 0.02 -0.31 -0.07 0.00 -0.39 0.00 0.00 57.03 56.28 1tru h ASP 16 Cb 0.61 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1tru h ASP 16 CO 0.03 1.03 -0.34 0.00 -1.61 0.00 0.00 179.24 178.35 1tru h ALA 17 N 1.02 1.12 -0.34 -0.78 0.00 -0.77 -2.75 119.26 116.77 1tru h ALA 17 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1tru h ALA 17 Cb 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1tru h ALA 17 CO 0.07 0.43 0.10 0.00 0.00 0.00 0.00 179.25 179.85 1tru h ALA 18 N 1.66 1.55 0.00 0.00 0.00 -0.67 -3.48 119.26 118.32 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 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1tru h ALA 18 CO 0.04 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1tru n GLY 19 N -1.16 1.26 0.49 0.00 0.00 -1.04 -3.34 105.19 101.39 1tru n GLY 19 Ca 0.02 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.45 1tru n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tru n ASP 20 N 7.41 2.66 -4.83 1.61 2.03 -1.26 -3.82 116.55 120.35 1tru n ASP 20 Ca 0.00 -1.96 -0.30 0.00 0.52 0.00 0.00 54.79 53.05 1tru n ASP 20 Cb 0.00 -0.17 0.08 0.00 -0.72 0.00 0.00 41.12 40.31 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1tru s LYS 21 N -0.98 2.32 0.82 -0.67 1.02 -1.21 -4.82 119.74 116.21 1tru s LYS 21 Ca 0.18 0.55 -0.12 0.00 0.02 0.00 0.00 55.97 56.60 1tru s LYS 21 Cb 0.09 -1.95 0.09 0.00 -0.52 0.00 0.00 37.83 35.54 1tru s LYS 21 CO 0.12 -1.44 1.15 -1.17 -0.92 0.00 0.00 175.35 173.09 1tru s LEU 22 N -5.64 3.04 -0.34 3.17 0.20 -1.26 -4.55 118.68 113.30 1tru s LEU 22 Ca 0.60 2.14 0.02 0.00 0.69 0.00 0.00 54.13 57.58 1tru s LEU 22 Cb -0.13 -4.56 0.15 0.00 -0.43 0.00 0.00 46.19 41.22 1tru s LEU 22 CO 0.53 -2.56 0.35 -0.69 -0.29 0.00 0.00 176.35 173.69 1tru s VAL 23 N -2.52 -0.37 -0.28 1.68 1.01 -0.90 -3.40 120.40 115.63 1tru s VAL 23 Ca 0.67 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1tru s VAL 23 Cb -0.23 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1tru s VAL 23 CO 0.53 -0.53 0.25 -0.69 0.00 0.00 0.00 175.10 174.66 1tru s VAL 24 N 1.82 5.26 -0.10 2.92 1.01 -1.05 -0.13 120.40 130.14 1tru s VAL 24 Ca 0.14 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 1tru s VAL 24 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1tru s VAL 24 CO -0.15 0.21 0.24 -0.69 0.00 0.00 0.00 175.10 174.71 1tru s VAL 25 N 1.86 5.33 -0.28 2.92 1.01 0.49 -2.44 120.40 129.30 1tru s VAL 25 Ca 0.10 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1tru s VAL 25 Cb -0.16 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1tru s VAL 25 CO 0.11 0.55 0.02 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.65 4.80 -0.48 3.32 2.15 -0.65 -1.07 116.67 124.08 1tru s ASP 26 Ca 0.17 -0.77 -0.15 0.00 0.43 0.00 0.00 52.55 52.23 1tru s ASP 26 Cb -0.13 -1.79 0.09 0.00 -0.30 0.00 0.00 42.92 40.78 1tru s ASP 26 CO 0.06 -0.16 0.41 -0.36 -0.17 0.00 0.00 175.17 174.94 1tru s PHE 27 N 1.43 3.26 0.21 -5.34 0.08 0.21 -2.79 117.98 115.04 1tru s PHE 27 Ca 0.02 -1.07 -0.04 0.00 0.12 0.00 0.00 56.93 55.96 1tru s PHE 27 Cb -0.17 -3.30 -0.03 0.00 -0.57 0.00 0.00 43.02 38.95 1tru s PHE 27 CO -0.00 -0.85 0.21 -1.12 -0.10 0.00 0.00 175.22 173.36 1tru s SER 28 N 2.78 0.11 -0.56 1.36 0.01 -1.23 -1.59 113.70 114.58 1tru s SER 28 Ca 0.04 -1.29 -0.18 0.00 1.31 0.00 0.00 55.95 55.83 1tru s SER 28 Cb -0.25 0.43 0.11 0.00 0.21 0.00 0.00 66.02 66.51 1tru s SER 28 CO 0.05 -0.91 0.62 0.00 0.41 0.00 0.00 173.24 173.41 1tru s ALA 29 N -4.12 3.49 0.53 1.44 0.00 -1.26 -3.16 121.76 118.68 1tru s ALA 29 Ca 0.35 -2.28 0.23 0.00 0.00 0.00 0.00 51.96 50.27 1tru s ALA 29 Cb 0.05 -3.41 1.39 0.00 0.00 0.00 0.00 23.12 21.15 1tru s ALA 29 CO 0.11 -2.19 2.04 0.00 0.00 0.00 0.00 175.76 175.72 1tru h THR 30 N 5.90 0.77 0.00 0.00 1.03 -1.95 0.15 112.91 118.81 1tru h THR 30 Ca -0.29 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 65.95 1tru h THR 30 Cb 1.09 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 1tru h THR 30 CO 1.06 0.00 -0.75 4.11 -0.01 0.00 0.00 175.52 179.93 1tru h TRP 31 N 0.00 0.00 -3.87 0.00 5.08 -2.02 -3.45 115.95 111.69 1tru h TRP 31 Ca 0.18 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.67 1tru h TRP 31 Cb 0.72 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 27.05 1tru h TRP 31 CO 0.00 0.75 0.18 0.00 -1.28 0.00 0.00 178.44 178.09 1tru n GLY 33 N -0.38 -0.36 0.34 0.00 0.00 -1.26 -4.03 105.19 99.50 1tru n GLY 33 Ca 0.07 0.00 0.16 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 -0.45 132.00 131.31 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 -0.07 0.00 -0.21 0.00 0.00 178.00 177.72 1tru n LYS 36 N -4.68 0.10 0.15 0.00 4.81 -0.70 -2.19 118.16 115.65 1tru n LYS 36 Ca -0.06 0.24 0.12 0.00 -0.87 0.00 0.00 58.31 57.74 1tru n LYS 36 Cb 0.25 -1.50 0.54 0.00 0.02 0.00 0.00 35.03 34.34 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 -0.89 1.64 4.05 -1.15 -2.39 114.93 116.19 1tru h MET 37 Ca 0.00 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.08 1tru h MET 37 Cb 0.12 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 30.71 1tru h MET 37 CO 0.00 0.00 0.43 -0.89 0.23 0.00 0.00 176.91 176.68 1tru n ILE 38 N -2.30 2.86 0.05 1.77 5.41 -0.93 -4.39 119.36 121.83 1tru n ILE 38 Ca 0.01 -1.60 0.02 0.00 1.00 0.00 0.00 62.75 62.18 1tru n ILE 38 Cb 0.18 -0.46 -0.06 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 1.67 0.00 0.00 0.38 2.10 -1.67 -3.30 116.57 115.75 1tru h LYS 39 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 1tru h LYS 39 Cb 2.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.79 1tru h LYS 39 CO 0.85 0.24 0.00 -0.35 -2.00 0.00 0.00 179.45 178.19 1tru n PRO 40 N -2.87 0.50 0.00 0.07 -0.05 -1.26 -2.48 135.00 128.90 1tru n PRO 40 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.77 -1.22 0.00 0.00 -0.05 0.00 0.00 33.50 33.01 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1tru n PHE 41 N -0.72 0.00 0.39 0.54 3.72 -1.25 -4.36 117.46 115.79 1tru n PHE 41 Ca 0.05 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 1tru n PHE 41 Cb 0.02 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.99 0.00 1.38 3.57 -1.65 -1.89 116.94 117.36 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 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1tru h PHE 42 CO 0.00 -0.59 0.00 1.58 -2.23 0.00 0.00 178.31 177.07 1tru n HIS 43 N -4.81 0.00 0.03 0.41 -0.00 -1.04 -2.32 115.22 107.49 1tru n HIS 43 Ca -0.13 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.94 1tru n HIS 43 Cb 0.41 -0.30 -0.13 0.00 -0.12 0.00 0.00 29.99 29.85 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 0.14 0.00 0.26 0.87 -1.26 -3.26 113.55 110.30 1tru h SER 44 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1tru h SER 44 Cb 0.11 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1tru h SER 44 CO 0.00 1.18 0.00 0.18 -0.53 0.00 0.00 176.83 177.66 1tru n LEU 45 N -3.28 0.00 -0.20 2.23 4.77 -0.91 -1.89 117.00 117.72 1tru n LEU 45 Ca -0.12 0.41 0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1tru n LEU 45 Cb 1.02 -0.41 0.29 0.00 -2.33 0.00 0.00 43.42 41.99 1tru n LEU 45 CO 0.47 -0.41 1.23 0.28 -1.33 0.00 0.00 177.39 177.63 1tru h SER 46 N 0.00 0.77 0.94 -1.43 0.02 -1.74 0.37 113.55 112.48 1tru h SER 46 Ca 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1tru h SER 46 Cb 0.00 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1tru h SER 46 CO 0.00 0.53 -1.11 -0.33 -1.14 0.00 0.00 176.83 174.78 1tru h GLU 47 N 0.90 0.00 0.00 3.45 3.07 -1.66 -3.37 114.58 116.97 1tru h GLU 47 Ca 0.30 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 1tru h GLU 47 Cb 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1tru h GLU 47 CO -0.09 0.14 -0.47 -0.22 -1.40 0.00 0.00 179.01 176.97 1tru h LYS 48 N 0.00 0.00 -3.74 2.33 3.64 -1.44 -3.42 116.57 113.94 1tru h LYS 48 Ca -0.07 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.59 1tru h LYS 48 Cb 1.26 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.75 1tru h LYS 48 CO 0.02 0.79 -0.26 0.71 -2.27 0.00 0.00 179.45 178.44 1tru s TYR 49 N -2.19 3.50 -1.48 1.91 1.51 0.12 -4.89 117.35 115.83 1tru s TYR 49 Ca -0.20 -2.45 0.19 0.00 -1.01 0.00 0.00 57.07 53.60 1tru s TYR 49 Cb 0.01 -3.38 0.96 0.00 -0.11 0.00 0.00 41.96 39.44 1tru s TYR 49 CO 0.53 -0.90 1.57 -1.13 -1.11 0.00 0.00 175.55 174.51 1tru n SER 50 N 3.77 0.00 -2.14 2.29 3.41 -1.26 -2.85 113.62 116.84 1tru n SER 50 Ca 0.08 -0.04 -0.22 0.00 -0.26 0.00 0.00 58.87 58.43 1tru n SER 50 Cb 0.40 -0.26 0.18 0.00 -0.26 0.00 0.00 64.21 64.28 1tru n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tru n ASN 51 N -1.26 3.67 -4.02 4.04 4.05 -1.26 -4.48 115.26 116.01 1tru n ASN 51 Ca 0.09 -3.62 -0.20 0.00 0.45 0.00 0.00 54.58 51.31 1tru n ASN 51 Cb 0.14 -0.82 -0.15 0.00 1.23 0.00 0.00 39.78 40.18 1tru n ASN 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1tru s VAL 52 N -3.29 0.78 -0.37 3.44 1.01 -1.13 -4.68 120.40 116.16 1tru s VAL 52 Ca 0.56 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 1tru s VAL 52 Cb 0.47 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 1tru s VAL 52 CO 0.10 0.23 0.26 -0.63 0.00 0.00 0.00 175.10 175.06 1tru s ILE 53 N -0.01 5.21 -0.21 2.22 -1.09 -1.22 -3.51 121.20 122.59 1tru s ILE 53 Ca 0.00 -0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 57.92 1tru s ILE 53 Cb -0.06 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1tru s ILE 53 CO 0.00 -0.13 0.06 -0.36 -1.23 0.00 0.00 174.94 173.28 1tru s PHE 54 N 1.69 3.15 -0.13 3.97 0.08 -1.18 -2.53 117.98 123.04 1tru s PHE 54 Ca 0.05 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 1tru s PHE 54 Cb -0.18 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1tru s PHE 54 CO 0.10 -0.08 0.00 -0.51 -0.10 0.00 0.00 175.22 174.63 1tru s LEU 55 N 0.92 3.54 -0.35 -0.37 1.02 -1.02 -2.97 118.68 119.45 1tru s LEU 55 Ca 0.03 0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.21 1tru s LEU 55 Cb -0.14 -1.84 0.07 0.00 0.02 0.00 0.00 46.19 44.30 1tru s LEU 55 CO 0.03 0.27 0.10 -0.70 0.02 0.00 0.00 176.35 176.07 1tru s GLU 56 N -0.24 2.30 -0.17 1.70 2.12 -1.15 -1.64 118.70 121.62 1tru s GLU 56 Ca 0.06 -1.46 -0.06 0.00 0.36 0.00 0.00 54.97 53.87 1tru s GLU 56 Cb -0.12 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1tru s GLU 56 CO 0.02 -0.80 0.03 0.08 -0.54 0.00 0.00 175.26 174.05 1tru s VAL 57 N 1.24 4.54 -0.33 3.70 1.01 -1.12 -2.96 120.40 126.48 1tru s VAL 57 Ca 0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1tru s VAL 57 Cb -0.21 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1tru s VAL 57 CO -0.02 0.48 0.40 -0.62 0.00 0.00 0.00 175.10 175.34 1tru s ASP 58 N 0.31 6.23 0.00 3.32 2.15 -1.26 -3.53 116.67 123.89 1tru s ASP 58 Ca 0.01 -0.05 0.02 0.00 0.43 0.00 0.00 52.55 52.96 1tru s ASP 58 Cb -0.13 -2.22 0.13 0.00 -0.30 0.00 0.00 42.92 40.41 1tru s ASP 58 CO 0.01 -0.34 0.43 1.33 -0.17 0.00 0.00 175.17 176.43 1tru n VAL 59 N 5.26 0.00 -0.05 1.11 0.24 -1.19 -0.94 118.33 122.75 1tru n VAL 59 Ca -0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.64 -0.05 0.00 -1.47 0.00 0.00 33.84 32.18 1tru n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tru n ASP 60 N -0.72 3.10 0.00 -1.34 9.92 -1.26 -4.35 116.55 121.90 1tru n ASP 60 Ca 0.02 -0.05 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.17 -0.14 0.00 -0.64 0.00 0.00 41.12 40.18 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 -0.01 0.37 -1.98 -2.24 1.82 -1.82 -3.37 116.42 109.19 1tru h ASP 61 Ca -0.24 -0.85 -0.75 0.00 -0.39 0.00 0.00 57.03 54.81 1tru h ASP 61 Cb 1.36 -0.12 -0.29 0.00 0.68 0.00 0.00 39.33 40.96 1tru h ASP 61 CO -0.04 1.66 0.82 0.00 -1.61 0.00 0.00 179.24 180.06 1tru n ALA 62 N -3.00 6.26 0.12 -0.78 0.00 -0.12 -4.72 120.51 118.27 1tru n ALA 62 Ca -0.27 -4.22 0.08 0.00 0.00 0.00 0.00 53.44 49.03 1tru n ALA 62 Cb 0.92 -1.82 0.41 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.47 0.10 -0.04 0.00 -0.00 -1.26 -0.99 117.38 114.72 1tru n GLN 63 Ca 0.51 0.58 -0.16 0.00 -0.00 0.00 0.00 57.00 57.93 1tru n GLN 63 Cb 0.29 -1.88 -0.05 0.00 -0.00 0.00 0.00 30.24 28.60 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1tru h ASP 64 N 0.00 0.93 0.25 2.61 2.03 -1.93 -1.06 116.42 119.24 1tru h ASP 64 Ca 0.00 -0.56 -0.22 0.00 -0.73 0.00 0.00 57.03 55.52 1tru h ASP 64 Cb 0.13 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1tru h ASP 64 CO 0.00 1.35 -0.88 0.58 -1.03 0.00 0.00 179.24 179.27 1tru h VAL 65 N 0.58 1.37 -0.21 4.15 2.07 -1.45 -2.60 116.25 120.17 1tru h VAL 65 Ca -0.02 -2.31 -0.09 0.00 0.82 0.00 0.00 66.70 65.10 1tru h VAL 65 Cb 1.29 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 1tru h VAL 65 CO 0.14 0.69 -0.25 0.00 0.02 0.00 0.00 177.57 178.17 1tru h ALA 66 N 0.75 1.18 0.29 1.67 0.00 -1.45 0.13 119.26 121.84 1tru h ALA 66 Ca -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1tru h ALA 66 Cb 1.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1tru h ALA 66 CO 0.16 0.53 -0.14 0.77 0.00 0.00 0.00 179.25 180.56 1tru h SER 67 N 0.35 -0.33 -0.19 0.00 0.02 -1.12 -2.03 113.55 110.25 1tru h SER 67 Ca 0.05 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1tru h SER 67 Cb 0.64 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1tru h SER 67 CO 0.05 0.12 0.04 -0.08 -1.14 0.00 0.00 176.83 175.81 1tru h GLU 68 N -0.88 0.41 0.00 3.45 4.57 -1.44 -0.19 114.58 120.50 1tru h GLU 68 Ca -0.04 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1tru h GLU 68 Cb 0.52 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1tru h GLU 68 CO 0.07 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.30 1tru n ALA 69 N -2.48 1.96 -3.48 2.92 0.00 0.46 -4.87 120.51 115.01 1tru n ALA 69 Ca 0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 1tru n ALA 69 Cb 0.19 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.48 -4.55 -2.82 0.00 1.02 -0.08 -4.89 120.64 107.84 1tru n GLU 70 Ca 0.06 0.62 -0.43 0.00 -0.02 0.00 0.00 57.16 57.39 1tru n GLU 70 Cb 0.23 -5.44 -0.04 0.00 -0.02 0.00 0.00 31.44 26.17 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 -3.12 4.44 -0.15 2.62 1.01 -1.04 -4.85 120.40 119.32 1tru s VAL 71 Ca 0.48 0.61 0.18 0.00 0.00 0.00 0.00 61.98 63.24 1tru s VAL 71 Cb -0.24 -4.47 0.34 0.00 0.00 0.00 0.00 36.38 32.01 1tru s VAL 71 CO 0.59 -0.92 1.19 0.29 0.00 0.00 0.00 175.10 176.25 1tru n LYS 72 N 7.26 1.51 -3.31 2.72 5.02 -1.26 -4.88 118.16 125.22 1tru n LYS 72 Ca 0.05 -2.70 -0.10 0.00 -2.02 0.00 0.00 58.31 53.53 1tru n LYS 72 Cb 0.48 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tru s ALA 73 N -2.92 -1.11 0.23 7.82 0.00 -1.26 -5.15 121.76 119.37 1tru s ALA 73 Ca 0.34 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 1tru s ALA 73 Cb 0.30 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1tru s ALA 73 CO 0.02 -2.09 0.44 0.95 0.00 0.00 0.00 175.76 175.09 1tru s THR 74 N 1.75 5.14 0.46 0.00 -4.23 -1.26 -4.05 115.64 113.46 1tru s THR 74 Ca 0.15 -0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 1tru s THR 74 Cb -0.12 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.09 -0.22 1.00 -2.16 -0.54 0.00 0.00 174.62 172.61 1tru s PRO 75 N -3.38 3.99 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.33 1tru s PRO 75 Ca 0.40 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 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 -0.25 0.03 0.99 0.04 0.00 0.00 177.00 178.10 1tru s THR 76 N -2.10 0.03 -0.15 1.26 2.01 -0.62 -3.35 115.64 112.72 1tru s THR 76 Ca 0.65 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.85 1tru s THR 76 Cb -0.13 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1tru s THR 76 CO 0.17 0.16 0.01 -0.36 -0.69 0.00 0.00 174.62 173.91 1tru s PHE 77 N 1.58 3.13 0.03 4.92 0.40 -1.16 -0.61 117.98 126.27 1tru s PHE 77 Ca -0.02 -0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 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 -0.03 0.11 -0.24 -0.65 0.70 0.00 0.00 175.22 175.12 1tru s GLN 78 N 0.17 1.95 -0.38 0.44 -0.21 -0.24 -2.18 119.66 119.21 1tru s GLN 78 Ca 0.01 -1.03 -0.08 0.00 0.02 0.00 0.00 55.36 54.28 1tru s GLN 78 Cb -0.13 -2.06 0.06 0.00 1.00 0.00 0.00 33.01 31.88 1tru s GLN 78 CO 0.02 0.53 0.18 -0.06 -2.12 0.00 0.00 175.29 173.84 1tru s PHE 79 N -0.80 3.30 0.24 0.91 0.40 0.10 -0.38 117.98 121.75 1tru s PHE 79 Ca 0.12 -1.45 0.08 0.00 -0.60 0.00 0.00 56.93 55.08 1tru s PHE 79 Cb -0.10 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 1tru s PHE 79 CO 0.02 -0.77 0.11 -0.06 0.70 0.00 0.00 175.22 175.22 1tru s PHE 80 N 1.42 2.96 -0.21 0.36 0.08 0.82 -1.29 117.98 122.13 1tru s PHE 80 Ca 0.01 -0.14 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 1tru s PHE 80 Cb -0.21 -1.35 0.07 0.00 -0.57 0.00 0.00 43.02 40.96 1tru s PHE 80 CO 0.03 0.55 0.50 0.21 -0.10 0.00 0.00 175.22 176.41 1tru s LYS 81 N -3.62 0.50 -0.37 0.44 2.20 -0.48 -2.13 119.74 116.28 1tru s LYS 81 Ca 0.32 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1tru s LYS 81 Cb -0.08 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1tru s LYS 81 CO 0.23 -0.16 0.00 1.63 -0.36 0.00 0.00 175.35 176.69 1tru n LYS 82 N 4.29 -1.80 -0.76 4.03 5.02 -1.25 0.87 118.16 128.57 1tru n LYS 82 Ca -0.22 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1tru n LYS 82 Cb 0.56 -4.26 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 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 0.36 1.34 2.87 0.72 0.00 -1.26 -4.96 105.19 104.27 1tru n GLY 83 Ca -0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.11 1.11 -0.39 1.61 -0.21 0.25 -5.08 119.66 114.84 1tru s GLN 84 Ca 0.00 -0.12 -0.28 0.00 0.02 0.00 0.00 55.36 54.98 1tru s GLN 84 Cb 0.00 -1.21 -0.03 0.00 1.00 0.00 0.00 33.01 32.77 1tru s GLN 84 CO 0.00 -0.21 1.91 0.21 -2.12 0.00 0.00 175.29 175.08 1tru s LYS 85 N 1.51 3.05 -0.26 2.91 2.20 -1.26 -1.38 119.74 126.51 1tru s LYS 85 Ca -0.01 1.31 0.10 0.00 -0.36 0.00 0.00 55.97 57.02 1tru s LYS 85 Cb -0.13 -4.29 0.48 0.00 -1.51 0.00 0.00 37.83 32.38 1tru s LYS 85 CO -0.04 -2.20 1.40 1.33 -0.36 0.00 0.00 175.35 175.47 1tru n VAL 86 N 7.46 2.43 0.00 4.02 0.24 -0.41 -4.99 118.33 127.08 1tru n VAL 86 Ca 0.24 -2.75 0.00 0.00 -2.04 0.00 0.00 64.34 59.79 1tru n VAL 86 Cb 0.48 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1tru n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tru n GLY 87 N -1.09 3.61 3.60 7.63 0.00 -1.18 -4.95 105.19 112.81 1tru n GLY 87 Ca 0.29 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.90 0.45 -0.29 1.61 1.03 -1.26 0.01 118.70 118.35 1tru s GLU 88 Ca 0.00 0.15 -0.18 0.00 0.03 0.00 0.00 54.97 54.97 1tru s GLU 88 Cb 0.00 0.21 0.13 0.00 -0.80 0.00 0.00 34.13 33.67 1tru s GLU 88 CO 0.00 -0.13 0.92 -0.59 -1.33 0.00 0.00 175.26 174.12 1tru s PHE 89 N -0.95 -0.67 -0.12 4.83 -0.12 -0.93 -4.99 117.98 115.04 1tru s PHE 89 Ca 0.01 1.38 -0.03 0.00 -0.05 0.00 0.00 56.93 58.24 1tru s PHE 89 Cb -0.01 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.02 -0.33 0.01 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 1.18 5.31 0.00 1.98 1.04 -1.26 -2.97 113.70 118.98 1tru s SER 90 Ca -0.07 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1tru s SER 90 Cb -0.04 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1tru s SER 90 CO -0.14 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1tru n GLY 91 N 2.60 3.99 2.13 7.32 0.00 -1.21 -4.96 105.19 115.05 1tru n GLY 91 Ca -0.18 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.40 6.85 -3.43 4.61 0.00 -1.26 -4.72 120.51 121.16 1tru n ALA 92 Ca 0.00 -2.51 -0.40 0.00 0.00 0.00 0.00 53.44 50.53 1tru n ALA 92 Cb 0.00 -2.75 -0.03 0.00 0.00 0.00 0.00 19.45 16.67 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 2.94 5.02 0.19 0.00 4.05 -1.26 -4.86 115.26 121.34 1tru n ASN 93 Ca 0.57 -3.14 0.10 0.00 0.45 0.00 0.00 54.58 52.56 1tru n ASN 93 Cb 0.64 -1.20 0.63 0.00 1.23 0.00 0.00 39.78 41.08 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 6.10 0.04 0.00 1.20 2.10 -1.99 0.84 116.57 124.87 1tru h LYS 94 Ca 0.18 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.77 1tru h LYS 94 Cb 0.80 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1tru h LYS 94 CO 0.99 0.03 -0.24 0.93 -2.00 0.00 0.00 179.45 179.15 1tru h GLU 95 N 0.04 0.00 -0.47 0.07 3.07 -1.99 -2.73 114.58 112.58 1tru h GLU 95 Ca 0.06 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.80 1tru h GLU 95 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1tru h GLU 95 CO -0.00 0.24 -0.20 -0.22 -1.40 0.00 0.00 179.01 177.42 1tru h LYS 96 N 0.00 0.94 -0.99 2.33 3.64 -1.23 -2.86 116.57 118.40 1tru h LYS 96 Ca -0.00 -0.39 0.21 0.00 -1.27 0.00 0.00 60.65 59.20 1tru h LYS 96 Cb 0.57 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 1tru h LYS 96 CO 0.03 1.05 0.62 -0.07 -2.27 0.00 0.00 179.45 178.81 1tru h LEU 97 N 0.82 0.61 0.55 5.20 3.38 -1.46 0.21 115.31 124.61 1tru h LEU 97 Ca 0.11 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1tru h LEU 97 Cb 0.76 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1tru h LEU 97 CO 0.06 0.20 -0.26 -0.08 0.09 0.00 0.00 178.44 178.45 1tru h GLU 98 N 0.58 -0.71 -0.94 1.13 4.81 -1.61 0.27 114.58 118.11 1tru h GLU 98 Ca 0.56 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.96 1tru h GLU 98 Cb 1.12 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.59 1tru h GLU 98 CO -0.32 -0.47 0.60 0.00 -0.73 0.00 0.00 179.01 178.09 1tru h ALA 99 N -1.37 1.64 -0.05 2.92 0.00 -1.42 -0.32 119.26 120.67 1tru h ALA 99 Ca -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1tru h ALA 99 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1tru h ALA 99 CO 0.12 0.12 -0.08 1.15 0.00 0.00 0.00 179.25 180.57 1tru h THR 100 N 0.88 1.42 -0.93 0.00 2.02 -0.58 -2.77 112.91 112.95 1tru h THR 100 Ca 0.46 -1.36 0.07 0.00 0.77 0.00 0.00 66.41 66.35 1tru h THR 100 Cb 0.54 2.21 -0.07 0.00 -1.74 0.00 0.00 68.15 69.10 1tru h THR 100 CO -0.23 0.37 0.58 0.40 0.37 0.00 0.00 175.52 177.02 1tru h ILE 101 N -0.36 1.05 0.00 3.11 2.04 0.14 0.47 117.51 123.95 1tru h ILE 101 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1tru h ILE 101 Cb 0.64 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1tru h ILE 101 CO 0.02 0.19 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.58 0.00 -0.06 1.72 5.15 -0.18 -2.24 115.26 115.07 1tru n ASN 102 Ca 0.14 -0.46 -0.04 0.00 -0.60 0.00 0.00 54.58 53.62 1tru n ASN 102 Cb 0.19 -0.09 -0.03 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.65 1.20 4.81 0.24 -3.35 114.58 116.83 1tru h GLU 103 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1tru h GLU 103 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1tru h GLU 103 CO 0.00 0.24 0.02 1.28 -0.73 0.00 0.00 179.01 179.82 1tru n LEU 104 N -4.72 5.25 0.00 1.64 4.77 -1.19 -5.12 117.00 117.64 1tru n LEU 104 Ca -0.04 -2.67 0.06 0.00 -0.03 0.00 0.00 56.01 53.33 1tru n LEU 104 Cb 0.15 -0.67 0.34 0.00 -2.33 0.00 0.00 43.42 40.90 1tru n LEU 104 CO 0.09 0.60 0.56 0.55 -1.33 0.00 0.00 177.39 177.85