#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 -0.20 2.03 1.01 -1.26 -3.26 120.40 118.88 1tru s VAL 2 Ca 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.55 1tru s VAL 2 Cb 0.00 -1.41 0.10 0.00 0.00 0.00 0.00 36.38 35.07 1tru s VAL 2 CO 0.00 -0.75 0.38 -0.75 0.00 0.00 0.00 175.10 173.98 1tru s LYS 3 N -3.88 0.30 -0.12 2.72 2.20 -1.14 -5.01 119.74 114.82 1tru s LYS 3 Ca 0.06 0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 56.25 1tru s LYS 3 Cb 0.06 0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 1tru s LYS 3 CO -0.10 -0.35 0.98 -1.14 -0.36 0.00 0.00 175.35 174.37 1tru s GLN 4 N 2.57 4.40 -0.43 4.03 0.74 -1.26 -2.77 119.66 126.94 1tru s GLN 4 Ca 0.02 1.33 -0.23 0.00 0.05 0.00 0.00 55.36 56.54 1tru s GLN 4 Cb -0.13 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.46 1tru s GLN 4 CO -0.13 -0.31 0.76 0.42 -0.55 0.00 0.00 175.29 175.47 1tru s ILE 5 N 2.03 4.70 -0.27 -2.34 -1.09 -1.09 -4.89 121.20 118.24 1tru s ILE 5 Ca 0.47 0.49 0.23 0.00 -2.23 0.00 0.00 60.65 59.60 1tru s ILE 5 Cb -0.18 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.43 1tru s ILE 5 CO 0.17 -0.62 1.06 -0.62 -1.23 0.00 0.00 174.94 173.70 1tru n GLU 6 N 6.56 0.57 -3.57 2.79 1.02 -1.26 -4.51 120.64 122.25 1tru n GLU 6 Ca 0.02 0.12 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1tru n GLU 6 Cb 0.48 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 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 -5.23 -0.46 0.60 1.62 1.04 -1.26 -4.41 113.70 105.60 1tru s SER 7 Ca 0.00 -0.21 0.29 0.00 0.48 0.00 0.00 55.95 56.51 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 0.79 -1.08 1.94 0.50 0.98 0.00 0.00 173.24 176.36 1tru h LYS 8 N 2.02 0.00 0.68 4.02 3.64 -1.93 -1.69 116.57 123.31 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 -0.37 1.15 -2.27 0.00 0.00 179.45 178.30 1tru h THR 9 N 0.00 0.24 0.00 1.00 2.02 -2.01 -1.92 112.91 112.24 1tru h THR 9 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1tru h THR 9 Cb 0.98 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1tru h THR 9 CO -0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.82 1tru h ALA 10 N -0.69 1.30 0.41 6.16 0.00 -1.72 -2.92 119.26 121.79 1tru h ALA 10 Ca -0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1tru h ALA 10 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tru h ALA 10 CO 0.12 0.08 -0.19 0.35 0.00 0.00 0.00 179.25 179.60 1tru h PHE 11 N 0.00 -0.50 0.20 0.00 3.57 -1.02 0.15 116.94 119.33 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 0.21 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1tru h PHE 11 CO 0.00 -0.27 -0.10 1.96 -2.23 0.00 0.00 178.31 177.67 1tru h GLN 12 N -0.62 -0.26 -0.09 1.11 4.20 -1.30 -2.40 115.11 115.76 1tru h GLN 12 Ca -0.06 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1tru h GLN 12 Cb 0.46 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1tru h GLN 12 CO 0.09 -0.05 0.07 0.93 -0.67 0.00 0.00 178.83 179.20 1tru h GLU 13 N -0.43 0.00 -0.31 1.46 4.39 -1.53 -1.89 114.58 116.27 1tru h GLU 13 Ca -0.03 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.53 1tru h GLU 13 Cb 0.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1tru h GLU 13 CO 0.05 0.00 -0.35 0.00 -1.16 0.00 0.00 179.01 177.54 1tru h ALA 14 N 1.95 0.46 -0.24 3.43 0.00 -0.32 0.38 119.26 124.92 1tru h ALA 14 Ca 0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1tru h ALA 14 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1tru h ALA 14 CO -0.00 0.53 -0.17 -0.07 0.00 0.00 0.00 179.25 179.54 1tru h LEU 15 N 0.55 0.57 -0.61 0.00 3.38 -0.88 -0.50 115.31 117.82 1tru h LEU 15 Ca 0.04 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1tru h LEU 15 Cb 0.94 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1tru h LEU 15 CO 0.08 0.89 -0.21 -0.78 0.09 0.00 0.00 178.44 178.52 1tru h ASP 16 N 0.25 0.90 0.74 -0.43 3.58 -1.39 -2.56 116.42 117.52 1tru h ASP 16 Ca 0.05 -0.33 -0.06 0.00 0.42 0.00 0.00 57.03 57.11 1tru h ASP 16 Cb 0.70 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1tru h ASP 16 CO 0.05 1.08 -0.29 0.00 -2.88 0.00 0.00 179.24 177.20 1tru h ALA 17 N 0.99 1.08 0.00 -0.78 0.00 -0.85 -2.64 119.26 117.06 1tru h ALA 17 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1tru h ALA 17 Cb 0.75 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 17 CO 0.06 0.36 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 1tru h ALA 18 N 1.71 1.66 -0.00 0.00 0.00 -0.64 -3.48 119.26 118.51 1tru h ALA 18 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tru h ALA 18 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1tru h ALA 18 CO 0.04 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1tru n GLY 19 N -1.15 0.45 0.55 0.00 0.00 -1.00 -3.38 105.19 100.66 1tru n GLY 19 Ca -0.03 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1tru n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tru n ASP 20 N 7.16 2.91 -4.83 1.61 8.00 -1.26 -3.95 116.55 126.19 1tru n ASP 20 Ca 0.00 -2.22 -0.30 0.00 0.71 0.00 0.00 54.79 52.98 1tru n ASP 20 Cb 0.00 -0.25 0.08 0.00 -0.02 0.00 0.00 41.12 40.93 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tru s LYS 21 N -1.40 2.25 0.78 -1.24 1.02 -1.22 -4.80 119.74 115.15 1tru s LYS 21 Ca 0.23 0.53 -0.13 0.00 0.02 0.00 0.00 55.97 56.62 1tru s LYS 21 Cb 0.14 -1.95 0.07 0.00 -0.52 0.00 0.00 37.83 35.58 1tru s LYS 21 CO 0.11 -1.48 1.17 -1.17 -0.92 0.00 0.00 175.35 173.07 1tru s LEU 22 N -5.65 3.16 -0.33 3.17 0.20 -1.26 -4.57 118.68 113.39 1tru s LEU 22 Ca 0.60 2.22 0.01 0.00 0.69 0.00 0.00 54.13 57.66 1tru s LEU 22 Cb -0.13 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1tru s LEU 22 CO 0.53 -2.43 0.33 -0.69 -0.29 0.00 0.00 176.35 173.79 1tru s VAL 23 N -2.30 -0.35 -0.31 1.68 1.01 -0.92 -3.29 120.40 115.91 1tru s VAL 23 Ca 0.70 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1tru s VAL 23 Cb -0.25 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1tru s VAL 23 CO 0.50 -0.54 0.26 -0.69 0.00 0.00 0.00 175.10 174.63 1tru s VAL 24 N 1.90 5.26 -0.10 2.92 1.01 -1.00 -0.22 120.40 130.16 1tru s VAL 24 Ca 0.13 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1tru s VAL 24 Cb -0.15 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1tru s VAL 24 CO -0.19 0.08 0.30 -0.69 0.00 0.00 0.00 175.10 174.60 1tru s VAL 25 N 1.84 5.26 -0.31 2.92 1.01 0.58 -2.49 120.40 129.21 1tru s VAL 25 Ca 0.09 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 1tru s VAL 25 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1tru s VAL 25 CO 0.11 0.50 0.08 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.36 5.12 -0.53 3.32 2.15 -0.59 -1.02 116.67 124.77 1tru s ASP 26 Ca 0.19 -0.91 -0.17 0.00 0.43 0.00 0.00 52.55 52.09 1tru s ASP 26 Cb -0.14 -1.85 0.10 0.00 -0.30 0.00 0.00 42.92 40.73 1tru s ASP 26 CO 0.07 -0.24 0.55 -0.36 -0.17 0.00 0.00 175.17 175.02 1tru s PHE 27 N 1.44 3.15 0.21 -5.34 0.08 0.34 -2.62 117.98 115.24 1tru s PHE 27 Ca 0.01 -1.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.00 1tru s PHE 27 Cb -0.18 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.58 1tru s PHE 27 CO 0.02 -1.04 0.25 -1.12 -0.10 0.00 0.00 175.22 173.23 1tru s SER 28 N 3.23 0.07 -0.61 1.36 0.01 -1.20 -1.72 113.70 114.83 1tru s SER 28 Ca 0.07 -1.20 -0.16 0.00 1.31 0.00 0.00 55.95 55.97 1tru s SER 28 Cb -0.25 0.45 0.14 0.00 0.21 0.00 0.00 66.02 66.57 1tru s SER 28 CO 0.06 -0.94 0.61 0.00 0.41 0.00 0.00 173.24 173.37 1tru s ALA 29 N -4.10 3.67 0.58 1.44 0.00 -1.26 -3.16 121.76 118.93 1tru s ALA 29 Ca 0.32 -2.62 0.28 0.00 0.00 0.00 0.00 51.96 49.94 1tru s ALA 29 Cb 0.04 -3.39 1.52 0.00 0.00 0.00 0.00 23.12 21.30 1tru s ALA 29 CO 0.10 -2.16 1.98 0.00 0.00 0.00 0.00 175.76 175.68 1tru h THR 30 N 5.70 0.46 -0.02 0.00 1.03 -1.96 0.16 112.91 118.29 1tru h THR 30 Ca -0.21 0.00 -0.26 0.00 -0.01 0.00 0.00 66.41 65.93 1tru h THR 30 Cb 1.08 0.71 0.02 0.00 -1.07 0.00 0.00 68.15 68.89 1tru h THR 30 CO 1.00 0.00 -0.99 4.11 -0.01 0.00 0.00 175.52 179.64 1tru h TRP 31 N 0.00 1.03 -2.79 0.00 5.08 -2.01 -3.45 115.95 113.81 1tru h TRP 31 Ca 0.18 -0.55 -0.48 0.00 1.08 0.00 0.00 58.89 59.12 1tru h TRP 31 Cb 0.93 -0.12 0.23 0.00 -3.00 0.00 0.00 29.16 27.19 1tru h TRP 31 CO 0.00 1.38 -0.79 0.00 -1.28 0.00 0.00 178.44 177.75 1tru n GLY 33 N 1.72 -0.39 0.36 0.00 0.00 -1.26 -3.85 105.19 101.75 1tru n GLY 33 Ca 0.03 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 0.05 1.61 0.11 -1.96 0.06 132.00 131.88 1tru h PRO 34 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 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 -0.54 0.00 -0.21 0.00 0.00 178.00 177.25 1tru n LYS 36 N -4.38 0.02 0.17 0.00 4.81 -0.10 -2.23 118.16 116.46 1tru n LYS 36 Ca -0.16 0.31 0.13 0.00 -0.87 0.00 0.00 58.31 57.72 1tru n LYS 36 Cb 0.65 -1.50 0.56 0.00 0.02 0.00 0.00 35.03 34.76 1tru n LYS 36 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1tru h MET 37 N 0.00 0.00 -0.90 1.64 2.86 -1.32 -2.63 114.93 114.58 1tru h MET 37 Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 1tru h MET 37 Cb 0.17 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.64 1tru h MET 37 CO 0.00 0.00 0.41 -0.89 1.06 0.00 0.00 176.91 177.49 1tru n ILE 38 N -2.43 2.76 0.04 -1.22 5.41 -0.95 -4.36 119.36 118.62 1tru n ILE 38 Ca 0.01 -1.53 0.02 0.00 1.00 0.00 0.00 62.75 62.25 1tru n ILE 38 Cb 0.22 -0.48 -0.07 0.00 -0.71 0.00 0.00 39.64 38.60 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 1.61 0.00 0.00 0.38 2.10 -1.70 -3.26 116.57 115.69 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 2.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.72 1tru h LYS 39 CO 0.81 0.25 0.00 -0.35 -2.00 0.00 0.00 179.45 178.16 1tru n PRO 40 N -2.86 0.72 0.00 0.07 -0.04 -1.26 -2.79 135.00 128.83 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 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.39 0.54 3.01 -1.25 -4.37 117.46 115.01 1tru n PHE 41 Ca 0.09 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.40 1tru n PHE 41 Cb 0.04 0.00 -0.07 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 -0.93 0.00 1.38 3.57 -1.69 -1.98 116.94 117.29 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 -4.72 0.00 0.03 0.41 -0.00 -1.12 -2.03 115.22 107.79 1tru n HIS 43 Ca -0.12 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.01 1tru n HIS 43 Cb 0.39 -0.23 -0.10 0.00 -0.12 0.00 0.00 29.99 29.94 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 0.02 0.26 0.87 -1.25 -3.29 113.55 110.16 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 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1tru h SER 44 CO 0.00 0.80 0.00 0.18 -0.53 0.00 0.00 176.83 177.28 1tru n LEU 45 N -3.06 0.00 -0.25 2.23 4.77 -0.86 -2.01 117.00 117.81 1tru n LEU 45 Ca -0.10 0.45 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 1tru n LEU 45 Cb 0.93 -0.45 0.29 0.00 -2.33 0.00 0.00 43.42 41.85 1tru n LEU 45 CO 0.44 -0.44 1.24 0.28 -1.33 0.00 0.00 177.39 177.57 1tru h SER 46 N 0.00 0.80 0.90 -1.43 0.02 -1.75 0.42 113.55 112.52 1tru h SER 46 Ca 0.00 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1tru h SER 46 Cb 0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1tru h SER 46 CO 0.00 0.52 -1.15 -0.33 -1.14 0.00 0.00 176.83 174.73 1tru h GLU 47 N 0.91 0.00 0.00 3.45 5.08 -1.70 -3.37 114.58 118.95 1tru h GLU 47 Ca 0.36 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1tru h GLU 47 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1tru h GLU 47 CO -0.13 0.14 -0.48 -0.22 -1.00 0.00 0.00 179.01 177.32 1tru h LYS 48 N 0.00 0.00 -3.72 2.33 3.64 -1.41 -3.42 116.57 113.99 1tru h LYS 48 Ca -0.07 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.58 1tru h LYS 48 Cb 1.27 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.76 1tru h LYS 48 CO 0.02 0.60 -0.24 0.71 -2.27 0.00 0.00 179.45 178.28 1tru s TYR 49 N -2.13 3.51 -1.12 1.91 2.02 0.14 -4.90 117.35 116.79 1tru s TYR 49 Ca -0.17 -2.45 0.19 0.00 -0.37 0.00 0.00 57.07 54.27 1tru s TYR 49 Cb 0.01 -3.40 0.88 0.00 -0.40 0.00 0.00 41.96 39.05 1tru s TYR 49 CO 0.43 -0.90 1.62 -1.13 -1.57 0.00 0.00 175.55 174.00 1tru n SER 50 N 3.74 0.00 -2.18 2.29 3.41 -1.26 -2.99 113.62 116.63 1tru n SER 50 Ca 0.08 0.36 -0.22 0.00 -0.26 0.00 0.00 58.87 58.83 1tru n SER 50 Cb 0.41 -0.44 0.19 0.00 -0.26 0.00 0.00 64.21 64.11 1tru n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tru n ASN 51 N -1.44 3.85 -4.01 4.04 5.15 -1.26 -4.40 115.26 117.19 1tru n ASN 51 Ca 0.06 -3.54 -0.20 0.00 -0.60 0.00 0.00 54.58 50.30 1tru n ASN 51 Cb 0.21 -0.82 -0.15 0.00 -0.53 0.00 0.00 39.78 38.48 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 -3.20 0.79 -0.35 3.44 1.01 -1.16 -4.68 120.40 116.25 1tru s VAL 52 Ca 0.56 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1tru s VAL 52 Cb 0.47 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1tru s VAL 52 CO 0.11 0.24 0.33 -0.63 0.00 0.00 0.00 175.10 175.16 1tru s ILE 53 N 0.14 5.20 -0.19 2.22 -1.09 -1.21 -3.66 121.20 122.61 1tru s ILE 53 Ca -0.02 -0.11 -0.06 0.00 -2.23 0.00 0.00 60.65 58.23 1tru s ILE 53 Cb -0.08 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1tru s ILE 53 CO 0.00 -0.12 0.02 -0.36 -1.23 0.00 0.00 174.94 173.26 1tru s PHE 54 N 1.93 3.10 -0.11 3.97 0.08 -1.20 -2.38 117.98 123.36 1tru s PHE 54 Ca 0.10 -0.27 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 1tru s PHE 54 Cb -0.17 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 1tru s PHE 54 CO 0.11 -0.11 0.01 -0.51 -0.10 0.00 0.00 175.22 174.63 1tru s LEU 55 N 0.79 3.61 -0.29 -0.37 1.02 -1.04 -2.89 118.68 119.51 1tru s LEU 55 Ca 0.01 0.11 -0.03 0.00 0.02 0.00 0.00 54.13 54.24 1tru s LEU 55 Cb -0.14 -1.85 0.03 0.00 0.02 0.00 0.00 46.19 44.26 1tru s LEU 55 CO 0.02 0.32 0.01 -0.70 0.02 0.00 0.00 176.35 176.02 1tru s GLU 56 N -0.52 2.72 -0.14 1.70 2.12 -1.12 -1.53 118.70 121.93 1tru s GLU 56 Ca 0.09 -1.08 -0.04 0.00 0.36 0.00 0.00 54.97 54.31 1tru s GLU 56 Cb -0.12 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 1tru s GLU 56 CO 0.02 -0.52 -0.01 0.08 -0.54 0.00 0.00 175.26 174.29 1tru s VAL 57 N 1.35 4.13 -0.44 3.70 1.01 -1.08 -2.69 120.40 126.38 1tru s VAL 57 Ca -0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1tru s VAL 57 Cb -0.18 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1tru s VAL 57 CO -0.01 0.52 0.47 -0.62 0.00 0.00 0.00 175.10 175.46 1tru s ASP 58 N 0.02 6.20 0.00 3.32 2.15 -1.26 -3.28 116.67 123.82 1tru s ASP 58 Ca 0.02 -0.74 0.02 0.00 0.43 0.00 0.00 52.55 52.27 1tru s ASP 58 Cb -0.13 -2.23 0.09 0.00 -0.30 0.00 0.00 42.92 40.34 1tru s ASP 58 CO 0.02 -0.64 0.34 1.33 -0.17 0.00 0.00 175.17 176.05 1tru n VAL 59 N 5.47 0.00 -0.05 1.11 0.24 -1.19 -0.93 118.33 122.98 1tru n VAL 59 Ca -0.07 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.47 -0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 32.21 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 3.15 0.03 -1.34 9.92 -1.26 -4.43 116.55 121.97 1tru n ASP 60 Ca 0.01 -0.05 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.16 -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 0.50 -1.97 -2.24 3.58 -1.83 -3.37 116.42 111.08 1tru h ASP 61 Ca -0.22 -0.95 -0.76 0.00 0.42 0.00 0.00 57.03 55.52 1tru h ASP 61 Cb 1.33 -0.16 -0.28 0.00 1.72 0.00 0.00 39.33 41.93 1tru h ASP 61 CO -0.04 1.84 0.91 0.00 -2.88 0.00 0.00 179.24 179.07 1tru n ALA 62 N -2.94 6.38 0.09 -0.78 0.00 -0.11 -4.70 120.51 118.44 1tru n ALA 62 Ca -0.29 -4.16 0.05 0.00 0.00 0.00 0.00 53.44 49.04 1tru n ALA 62 Cb 1.06 -1.88 0.29 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.51 0.07 -0.03 0.00 6.02 -1.26 -1.24 117.38 120.42 1tru n GLN 63 Ca 0.52 0.55 -0.17 0.00 -0.01 0.00 0.00 57.00 57.90 1tru n GLN 63 Cb 0.27 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 29.68 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 0.80 0.72 1.08 3.04 -1.94 -2.11 116.42 118.01 1tru h ASP 64 Ca 0.00 -0.62 -0.17 0.00 -3.24 0.00 0.00 57.03 53.00 1tru h ASP 64 Cb 0.09 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 38.13 1tru h ASP 64 CO 0.00 1.29 -0.79 0.58 -2.04 0.00 0.00 179.24 178.28 1tru h VAL 65 N 0.36 1.54 -0.49 4.15 2.07 -1.55 -2.56 116.25 119.77 1tru h VAL 65 Ca -0.04 -2.63 -0.10 0.00 0.82 0.00 0.00 66.70 64.75 1tru h VAL 65 Cb 1.26 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1tru h VAL 65 CO 0.13 0.76 -0.11 0.00 0.02 0.00 0.00 177.57 178.37 1tru h ALA 66 N 1.17 0.67 -0.08 1.67 0.00 -1.46 0.59 119.26 121.83 1tru h ALA 66 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1tru h ALA 66 Cb 1.39 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1tru h ALA 66 CO 0.11 0.57 -0.07 1.03 0.00 0.00 0.00 179.25 180.88 1tru h SER 67 N 0.78 0.19 -0.84 0.00 0.87 -1.37 -0.67 113.55 112.52 1tru h SER 67 Ca 0.12 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1tru h SER 67 Cb 0.66 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1tru h SER 67 CO 0.05 0.63 0.44 -0.08 -0.53 0.00 0.00 176.83 177.34 1tru h GLU 68 N -0.24 1.19 0.00 2.24 4.22 -1.43 -0.58 114.58 119.98 1tru h GLU 68 Ca 0.01 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1tru h GLU 68 Cb 0.57 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1tru h GLU 68 CO 0.02 0.89 0.00 0.00 -2.18 0.00 0.00 179.01 177.73 1tru n ALA 69 N -2.40 1.95 -2.64 2.92 0.00 0.20 -4.87 120.51 115.67 1tru n ALA 69 Ca 0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1tru n ALA 69 Cb 0.11 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -1.84 -2.89 -2.75 0.00 2.13 -0.23 -4.90 120.64 110.17 1tru n GLU 70 Ca 0.04 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.39 1tru n GLU 70 Cb 0.28 -5.69 -0.03 0.00 0.27 0.00 0.00 31.44 26.26 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 -3.08 4.16 -0.27 6.31 1.01 -0.88 -4.81 120.40 122.85 1tru s VAL 71 Ca 0.12 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 61.89 1tru s VAL 71 Cb -0.05 -4.79 0.51 0.00 0.00 0.00 0.00 36.38 32.05 1tru s VAL 71 CO 0.14 -1.62 1.46 0.29 0.00 0.00 0.00 175.10 175.38 1tru n LYS 72 N 8.15 2.08 -3.31 2.72 4.76 -1.26 -4.82 118.16 126.48 1tru n LYS 72 Ca 0.04 -3.09 -0.11 0.00 -2.87 0.00 0.00 58.31 52.28 1tru n LYS 72 Cb 0.47 -1.83 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 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 -3.15 -1.03 0.22 7.82 0.00 -1.26 -5.15 121.76 119.22 1tru s ALA 73 Ca 0.44 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1tru s ALA 73 Cb 0.39 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1tru s ALA 73 CO 0.02 -2.14 0.43 0.95 0.00 0.00 0.00 175.76 175.02 1tru s THR 74 N 1.62 5.16 0.45 0.00 -4.23 -1.26 -4.05 115.64 113.33 1tru s THR 74 Ca 0.16 -0.27 -0.21 0.00 -1.18 0.00 0.00 61.69 60.19 1tru s THR 74 Cb -0.12 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 1tru s THR 74 CO -0.06 -0.21 0.98 -2.16 -0.54 0.00 0.00 174.62 172.63 1tru s PRO 75 N -3.39 4.07 -0.03 3.99 0.04 -1.26 -5.03 135.00 133.39 1tru s PRO 75 Ca 0.40 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1tru s PRO 75 Cb -0.11 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1tru s PRO 75 CO 0.29 -0.18 0.04 0.99 0.04 0.00 0.00 177.00 178.18 1tru s THR 76 N -2.11 -0.04 -0.14 1.26 2.01 -0.70 -3.50 115.64 112.42 1tru s THR 76 Ca 0.64 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.87 1tru s THR 76 Cb -0.12 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1tru s THR 76 CO 0.16 0.13 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.85 1tru s PHE 77 N 1.43 3.11 0.01 4.92 0.40 -1.15 -0.51 117.98 126.19 1tru s PHE 77 Ca -0.04 -0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.29 1tru s PHE 77 Cb -0.13 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1tru s PHE 77 CO -0.03 0.16 -0.24 -0.65 0.70 0.00 0.00 175.22 175.16 1tru s GLN 78 N -0.03 1.81 -0.40 0.44 -0.21 -0.19 -2.22 119.66 118.86 1tru s GLN 78 Ca 0.03 -0.95 -0.08 0.00 0.02 0.00 0.00 55.36 54.37 1tru s GLN 78 Cb -0.13 -1.85 0.07 0.00 1.00 0.00 0.00 33.01 32.10 1tru s GLN 78 CO 0.02 0.49 0.22 -0.06 -2.12 0.00 0.00 175.29 173.85 1tru s PHE 79 N -0.68 3.33 0.22 0.91 0.40 0.84 -0.31 117.98 122.70 1tru s PHE 79 Ca 0.10 -1.54 0.07 0.00 -0.60 0.00 0.00 56.93 54.96 1tru s PHE 79 Cb -0.09 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1tru s PHE 79 CO 0.00 -0.82 0.12 -0.06 0.70 0.00 0.00 175.22 175.16 1tru s PHE 80 N 1.41 3.01 -0.21 0.36 0.08 0.69 -1.09 117.98 122.23 1tru s PHE 80 Ca 0.02 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 1tru s PHE 80 Cb -0.22 -1.39 0.07 0.00 -0.57 0.00 0.00 43.02 40.90 1tru s PHE 80 CO 0.02 0.54 0.51 0.21 -0.10 0.00 0.00 175.22 176.39 1tru s LYS 81 N -3.48 0.50 -0.25 0.44 2.20 -0.45 -2.17 119.74 116.54 1tru s LYS 81 Ca 0.31 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1tru s LYS 81 Cb -0.08 0.04 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 -1.87 -0.59 4.03 5.02 -1.25 0.83 118.16 128.62 1tru n LYS 82 Ca -0.22 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1tru n LYS 82 Cb 0.56 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.38 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 0.45 1.34 2.89 0.72 0.00 -1.26 -4.98 105.19 104.35 1tru n GLY 83 Ca -0.02 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.73 1.13 -0.38 1.61 -0.21 0.24 -5.09 119.66 115.23 1tru s GLN 84 Ca 0.00 -0.15 -0.28 0.00 0.02 0.00 0.00 55.36 54.95 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 -0.17 1.90 0.21 -2.12 0.00 0.00 175.29 175.12 1tru s LYS 85 N 1.34 3.08 -0.26 2.91 2.20 -1.26 -1.33 119.74 126.42 1tru s LYS 85 Ca -0.03 1.34 0.11 0.00 -0.36 0.00 0.00 55.97 57.02 1tru s LYS 85 Cb -0.14 -4.28 0.50 0.00 -1.51 0.00 0.00 37.83 32.40 1tru s LYS 85 CO -0.03 -2.16 1.44 1.33 -0.36 0.00 0.00 175.35 175.57 1tru n VAL 86 N 7.46 2.47 0.00 4.02 0.24 -0.25 -4.99 118.33 127.28 1tru n VAL 86 Ca 0.24 -2.60 0.00 0.00 -2.04 0.00 0.00 64.34 59.94 1tru n VAL 86 Cb 0.48 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.04 3.56 3.61 7.63 0.00 -1.17 -4.95 105.19 112.84 1tru n GLY 87 Ca 0.30 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1tru n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tru s GLU 88 N -1.98 0.40 -0.29 1.61 -6.30 -1.26 -0.11 118.70 110.77 1tru s GLU 88 Ca 0.00 0.19 -0.17 0.00 -2.50 0.00 0.00 54.97 52.48 1tru s GLU 88 Cb 0.00 0.19 0.13 0.00 0.00 0.00 0.00 34.13 34.44 1tru s GLU 88 CO 0.00 -0.11 0.91 -0.59 0.02 0.00 0.00 175.26 175.50 1tru s PHE 89 N -0.73 -0.68 -0.16 5.30 -0.12 -0.94 -4.99 117.98 115.66 1tru s PHE 89 Ca 0.03 1.38 -0.05 0.00 -0.05 0.00 0.00 56.93 58.23 1tru s PHE 89 Cb -0.02 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.04 -0.33 0.02 -1.54 -0.05 0.00 0.00 175.22 173.28 1tru s SER 90 N 1.26 5.32 0.00 1.98 1.04 -1.26 -2.95 113.70 119.09 1tru s SER 90 Ca -0.08 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1tru s SER 90 Cb -0.04 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1tru s SER 90 CO -0.15 0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1tru n GLY 91 N 3.30 3.70 2.11 7.32 0.00 -1.23 -4.98 105.19 115.42 1tru n GLY 91 Ca -0.17 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.12 6.73 -3.44 4.61 0.00 -1.26 -4.73 120.51 121.30 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 -2.62 -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 -1.71 0.00 0.00 0.00 177.50 175.79 1tru n ASN 93 N 2.75 5.04 0.13 0.00 4.05 -1.26 -4.86 115.26 121.10 1tru n ASN 93 Ca 0.54 -3.10 0.09 0.00 0.45 0.00 0.00 54.58 52.56 1tru n ASN 93 Cb 0.71 -1.24 0.58 0.00 1.23 0.00 0.00 39.78 41.06 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 6.28 0.16 0.00 1.20 2.10 -1.99 0.27 116.57 124.59 1tru h LYS 94 Ca 0.18 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.77 1tru h LYS 94 Cb 0.83 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1tru h LYS 94 CO 0.97 0.11 -0.24 0.93 -2.00 0.00 0.00 179.45 179.22 1tru h GLU 95 N 0.17 0.00 -0.44 0.07 5.08 -1.99 -2.80 114.58 114.66 1tru h GLU 95 Ca 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1tru h GLU 95 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1tru h GLU 95 CO -0.02 0.24 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.76 1tru h LYS 96 N 0.00 0.93 -1.01 2.33 3.64 -1.34 -2.93 116.57 118.20 1tru h LYS 96 Ca -0.00 -0.41 0.24 0.00 -1.27 0.00 0.00 60.65 59.20 1tru h LYS 96 Cb 0.58 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.27 1tru h LYS 96 CO 0.03 1.07 0.63 -0.07 -2.27 0.00 0.00 179.45 178.85 1tru h LEU 97 N 0.80 0.56 0.51 5.20 3.38 -1.48 0.20 115.31 124.48 1tru h LEU 97 Ca 0.10 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1tru h LEU 97 Cb 0.82 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1tru h LEU 97 CO 0.07 0.15 -0.25 -0.08 0.09 0.00 0.00 178.44 178.42 1tru h GLU 98 N 0.51 -0.66 -0.79 1.13 4.57 -1.63 0.20 114.58 117.91 1tru h GLU 98 Ca 0.58 0.05 0.12 0.00 -1.18 0.00 0.00 59.36 58.93 1tru h GLU 98 Cb 1.27 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.96 1tru h GLU 98 CO -0.33 -0.44 0.52 0.00 -1.18 0.00 0.00 179.01 177.57 1tru h ALA 99 N -1.48 1.91 -0.05 2.92 0.00 -1.46 -1.30 119.26 119.80 1tru h ALA 99 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 99 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1tru h ALA 99 CO 0.12 -0.11 -0.08 1.15 0.00 0.00 0.00 179.25 180.33 1tru h THR 100 N 0.59 1.42 -0.95 0.00 2.02 -0.57 -2.79 112.91 112.63 1tru h THR 100 Ca 0.38 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 66.25 1tru h THR 100 Cb 0.65 2.23 -0.07 0.00 -1.74 0.00 0.00 68.15 69.22 1tru h THR 100 CO -0.14 0.38 0.60 0.40 0.37 0.00 0.00 175.52 177.12 1tru h ILE 101 N -0.37 1.04 0.00 3.11 2.04 0.06 0.48 117.51 123.88 1tru h ILE 101 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1tru h ILE 101 Cb 0.65 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 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 -4.57 0.00 -0.06 1.72 5.15 -0.55 -2.22 115.26 114.74 1tru n ASN 102 Ca 0.15 -0.48 -0.05 0.00 -0.60 0.00 0.00 54.58 53.59 1tru n ASN 102 Cb 0.21 -0.09 -0.04 0.00 -0.53 0.00 0.00 39.78 39.33 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 4.57 0.26 -3.35 114.58 116.62 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 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1tru h GLU 103 CO 0.00 0.31 0.00 1.28 -1.18 0.00 0.00 179.01 179.42 1tru n LEU 104 N -4.70 5.11 0.00 1.64 4.77 -1.19 -5.12 117.00 117.51 1tru n LEU 104 Ca -0.05 -2.59 0.06 0.00 -0.03 0.00 0.00 56.01 53.39 1tru n LEU 104 Cb 0.18 -0.65 0.34 0.00 -2.33 0.00 0.00 43.42 40.96 1tru n LEU 104 CO 0.11 0.60 0.56 0.55 -1.33 0.00 0.00 177.39 177.87