#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 0.13 -0.17 2.03 1.01 -1.26 -3.22 120.40 118.92 1tru s VAL 2 Ca 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 61.98 60.51 1tru s VAL 2 Cb 0.00 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.89 1tru s VAL 2 CO 0.00 -0.60 0.38 -0.75 0.00 0.00 0.00 175.10 174.13 1tru s LYS 3 N -3.91 0.33 -0.26 2.72 2.20 -1.18 -5.02 119.74 114.61 1tru s LYS 3 Ca 0.10 0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 56.26 1tru s LYS 3 Cb 0.05 0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1tru s LYS 3 CO -0.07 -0.20 1.02 -1.14 -0.36 0.00 0.00 175.35 174.60 1tru s GLN 4 N 1.87 4.18 -0.38 4.03 0.74 -1.26 -2.97 119.66 125.86 1tru s GLN 4 Ca -0.06 1.20 -0.23 0.00 0.05 0.00 0.00 55.36 56.32 1tru s GLN 4 Cb -0.10 -3.68 0.01 0.00 1.10 0.00 0.00 33.01 30.34 1tru s GLN 4 CO -0.12 -0.71 0.76 0.42 -0.55 0.00 0.00 175.29 175.09 1tru s ILE 5 N 3.31 4.74 -0.22 -2.34 -1.09 -1.19 -4.90 121.20 119.51 1tru s ILE 5 Ca 0.43 0.74 0.22 0.00 -2.23 0.00 0.00 60.65 59.81 1tru s ILE 5 Cb -0.14 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1tru s ILE 5 CO 0.09 -0.48 1.03 -0.33 -1.23 0.00 0.00 174.94 174.03 1tru h GLU 6 N 8.58 0.00 -3.03 2.79 5.08 -1.94 -3.42 114.58 122.64 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 0.91 0.04 0.20 -1.54 -1.00 0.00 0.00 179.01 177.62 1tru s SER 7 N -5.45 -0.46 0.60 1.42 1.04 -1.26 -4.30 113.70 105.29 1tru s SER 7 Ca -0.01 -0.19 0.29 0.00 0.48 0.00 0.00 55.95 56.52 1tru s SER 7 Cb 0.09 0.63 1.55 0.00 0.10 0.00 0.00 66.02 68.39 1tru s SER 7 CO 0.79 -1.07 1.96 0.50 0.98 0.00 0.00 173.24 176.40 1tru h LYS 8 N 2.02 0.00 0.58 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 -0.35 1.15 -2.27 0.00 0.00 179.45 178.33 1tru h THR 9 N 0.00 0.29 0.00 1.00 2.02 -2.01 -1.61 112.91 112.60 1tru h THR 9 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1tru h THR 9 Cb 0.92 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1tru h THR 9 CO -0.00 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.80 1tru h ALA 10 N -0.51 1.33 0.03 6.16 0.00 -1.69 -2.82 119.26 121.75 1tru h ALA 10 Ca -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1tru h ALA 10 CO 0.07 0.12 -0.01 0.35 0.00 0.00 0.00 179.25 179.78 1tru h PHE 11 N 0.00 -0.03 0.01 0.00 3.57 -0.90 -0.70 116.94 118.89 1tru h PHE 11 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1tru h PHE 11 Cb 0.26 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1tru h PHE 11 CO 0.00 0.07 -0.00 1.96 -2.23 0.00 0.00 178.31 178.10 1tru h GLN 12 N -0.12 -0.01 -0.14 1.11 4.20 -1.17 -2.23 115.11 116.74 1tru h GLN 12 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1tru h GLN 12 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1tru h GLN 12 CO 0.01 0.13 0.11 0.93 -0.67 0.00 0.00 178.83 179.33 1tru h GLU 13 N -0.15 0.00 -0.28 1.46 4.39 -1.47 -1.17 114.58 117.36 1tru h GLU 13 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1tru h GLU 13 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1tru h GLU 13 CO 0.00 0.00 -0.45 0.00 -1.16 0.00 0.00 179.01 177.40 1tru h ALA 14 N 1.91 0.68 -0.19 3.43 0.00 -0.53 0.34 119.26 124.90 1tru h ALA 14 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1tru h ALA 14 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1tru h ALA 14 CO -0.00 0.67 -0.12 -0.07 0.00 0.00 0.00 179.25 179.73 1tru h LEU 15 N 0.58 0.43 -0.82 0.00 3.38 -0.85 -0.81 115.31 117.23 1tru h LEU 15 Ca 0.04 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 1tru h LEU 15 Cb 1.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1tru h LEU 15 CO 0.10 0.77 -0.36 -0.78 0.09 0.00 0.00 178.44 178.26 1tru h ASP 16 N 0.09 0.47 0.24 -0.43 3.58 -1.44 -2.82 116.42 116.12 1tru h ASP 16 Ca 0.04 -0.19 -0.12 0.00 0.42 0.00 0.00 57.03 57.17 1tru h ASP 16 Cb 0.62 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1tru h ASP 16 CO 0.03 0.80 -0.48 0.00 -2.88 0.00 0.00 179.24 176.71 1tru h ALA 17 N 1.23 0.98 -0.22 -0.78 0.00 -0.82 -2.81 119.26 116.84 1tru h ALA 17 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1tru h ALA 17 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1tru h ALA 17 CO 0.07 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.99 1tru h ALA 18 N 1.27 1.64 -0.01 0.00 0.00 -0.88 -3.47 119.26 117.82 1tru h ALA 18 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 18 Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1tru h ALA 18 CO 0.08 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1tru n GLY 19 N -1.18 2.17 0.50 0.00 0.00 -1.06 -3.00 105.19 102.61 1tru n GLY 19 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1tru n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tru n ASP 20 N 9.14 2.71 -4.83 1.61 5.75 -1.26 -3.88 116.55 125.78 1tru n ASP 20 Ca 0.00 -1.99 -0.31 0.00 -0.01 0.00 0.00 54.79 52.48 1tru n ASP 20 Cb 0.00 -0.18 0.04 0.00 -1.03 0.00 0.00 41.12 39.95 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1tru s LYS 21 N -1.00 3.06 0.88 0.11 1.02 -1.16 -4.86 119.74 117.79 1tru s LYS 21 Ca 0.18 0.88 -0.10 0.00 0.02 0.00 0.00 55.97 56.95 1tru s LYS 21 Cb 0.09 -2.01 0.12 0.00 -0.52 0.00 0.00 37.83 35.52 1tru s LYS 21 CO 0.12 -0.99 1.13 -1.17 -0.92 0.00 0.00 175.35 173.52 1tru s LEU 22 N -5.47 2.88 -0.34 3.17 0.20 -1.26 -4.64 118.68 113.22 1tru s LEU 22 Ca 0.57 2.08 0.02 0.00 0.69 0.00 0.00 54.13 57.50 1tru s LEU 22 Cb -0.13 -4.54 0.15 0.00 -0.43 0.00 0.00 46.19 41.23 1tru s LEU 22 CO 0.55 -2.82 0.35 -0.69 -0.29 0.00 0.00 176.35 173.45 1tru s VAL 23 N -2.72 -0.36 -0.31 1.68 1.01 -0.90 -3.18 120.40 115.62 1tru s VAL 23 Ca 0.65 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1tru s VAL 23 Cb -0.21 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1tru s VAL 23 CO 0.57 -0.54 0.28 -0.69 0.00 0.00 0.00 175.10 174.72 1tru s VAL 24 N 1.74 5.24 -0.09 2.92 1.01 -0.97 -0.22 120.40 130.04 1tru s VAL 24 Ca 0.14 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 1tru s VAL 24 Cb -0.15 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1tru s VAL 24 CO -0.13 0.09 0.30 -0.69 0.00 0.00 0.00 175.10 174.67 1tru s VAL 25 N 1.89 5.25 -0.29 2.92 1.01 0.54 -2.56 120.40 129.15 1tru s VAL 25 Ca 0.10 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1tru s VAL 25 Cb -0.16 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1tru s VAL 25 CO 0.11 0.53 0.06 -0.62 0.00 0.00 0.00 175.10 175.18 1tru s ASP 26 N -0.54 5.04 -0.48 3.32 2.15 -0.64 -1.13 116.67 124.38 1tru s ASP 26 Ca 0.19 -0.78 -0.16 0.00 0.43 0.00 0.00 52.55 52.23 1tru s ASP 26 Cb -0.14 -1.85 0.07 0.00 -0.30 0.00 0.00 42.92 40.70 1tru s ASP 26 CO 0.08 -0.20 0.42 -0.36 -0.17 0.00 0.00 175.17 174.94 1tru s PHE 27 N 1.46 3.23 0.20 -5.34 0.08 0.21 -2.70 117.98 115.12 1tru s PHE 27 Ca 0.02 -0.91 -0.04 0.00 0.12 0.00 0.00 56.93 56.11 1tru s PHE 27 Cb -0.17 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.01 1tru s PHE 27 CO 0.02 -0.83 0.20 -1.54 -0.10 0.00 0.00 175.22 172.97 1tru s SER 28 N 2.67 0.11 -0.56 1.36 1.04 -1.21 -1.49 113.70 115.62 1tru s SER 28 Ca 0.05 -1.22 -0.18 0.00 0.48 0.00 0.00 55.95 55.08 1tru s SER 28 Cb -0.24 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.40 1tru s SER 28 CO 0.07 -0.89 0.60 0.00 0.98 0.00 0.00 173.24 174.00 1tru s ALA 29 N -4.10 3.51 0.55 5.32 0.00 -1.26 -3.13 121.76 122.65 1tru s ALA 29 Ca 0.31 -2.30 0.25 0.00 0.00 0.00 0.00 51.96 50.22 1tru s ALA 29 Cb 0.05 -3.39 1.46 0.00 0.00 0.00 0.00 23.12 21.25 1tru s ALA 29 CO 0.09 -2.16 2.04 0.00 0.00 0.00 0.00 175.76 175.73 1tru h THR 30 N 5.90 0.67 0.00 0.00 1.03 -1.95 0.26 112.91 118.81 1tru h THR 30 Ca -0.29 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 65.98 1tru h THR 30 Cb 1.09 0.79 -0.02 0.00 -1.07 0.00 0.00 68.15 68.95 1tru h THR 30 CO 1.05 0.00 -0.62 4.11 -0.01 0.00 0.00 175.52 180.05 1tru h TRP 31 N 0.00 0.00 -3.94 0.00 5.08 -2.02 -3.45 115.95 111.62 1tru h TRP 31 Ca 0.17 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.66 1tru h TRP 31 Cb 0.73 0.00 0.16 0.00 -3.00 0.00 0.00 29.16 27.05 1tru h TRP 31 CO 0.00 0.62 0.21 0.00 -1.28 0.00 0.00 178.44 177.99 1tru n GLY 33 N -0.82 -0.37 0.34 0.00 0.00 -1.26 -4.00 105.19 99.07 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 -1.00 132.00 130.76 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 -0.10 0.00 -0.21 0.00 0.00 178.00 177.69 1tru n LYS 36 N -4.66 0.14 0.20 0.00 4.81 -0.64 -2.08 118.16 115.93 1tru n LYS 36 Ca -0.08 0.20 0.15 0.00 -0.87 0.00 0.00 58.31 57.71 1tru n LYS 36 Cb 0.30 -1.50 0.63 0.00 0.02 0.00 0.00 35.03 34.48 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 -0.96 1.64 4.05 -1.25 -2.52 114.93 115.88 1tru h MET 37 Ca 0.00 0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.03 1tru h MET 37 Cb 0.10 0.00 -0.23 0.00 -0.80 0.00 0.00 31.60 30.66 1tru h MET 37 CO 0.00 0.00 0.49 -0.89 0.23 0.00 0.00 176.91 176.74 1tru n ILE 38 N -2.60 2.81 0.05 1.77 5.41 -0.88 -4.36 119.36 121.55 1tru n ILE 38 Ca 0.01 -1.57 0.02 0.00 1.00 0.00 0.00 62.75 62.20 1tru n ILE 38 Cb 0.22 -0.52 -0.07 0.00 -0.71 0.00 0.00 39.64 38.56 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 1.14 0.00 0.00 0.38 2.10 -1.69 -3.26 116.57 115.25 1tru h LYS 39 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1tru h LYS 39 Cb 2.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.82 1tru h LYS 39 CO 0.88 0.25 0.00 -0.35 -2.00 0.00 0.00 179.45 178.22 1tru n PRO 40 N -2.86 0.68 0.00 0.07 -0.04 -1.26 -2.72 135.00 128.86 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 0.79 -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 0.37 0.54 3.72 -1.25 -4.37 117.46 115.70 1tru n PHE 41 Ca 0.09 0.00 -0.14 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 -0.88 0.00 1.38 3.57 -1.68 -1.91 116.94 117.42 1tru h PHE 42 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 42 Cb 0.00 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1tru h PHE 42 CO 0.00 -0.55 0.00 1.58 -2.23 0.00 0.00 178.31 177.11 1tru n HIS 43 N -4.55 0.00 0.06 0.41 -0.00 -1.10 -1.90 115.22 108.14 1tru n HIS 43 Ca -0.12 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.09 1tru n HIS 43 Cb 0.37 -0.22 -0.05 0.00 -0.12 0.00 0.00 29.99 29.97 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 -1.24 -3.31 113.55 110.14 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 0.45 0.00 0.18 -0.53 0.00 0.00 176.83 176.93 1tru n LEU 45 N -2.89 0.00 -0.26 2.23 4.77 -0.80 -1.99 117.00 118.07 1tru n LEU 45 Ca -0.06 0.44 0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1tru n LEU 45 Cb 0.77 -0.44 0.27 0.00 -2.33 0.00 0.00 43.42 41.69 1tru n LEU 45 CO 0.42 -0.44 1.24 0.28 -1.33 0.00 0.00 177.39 177.56 1tru h SER 46 N 0.00 0.84 0.98 -1.43 0.02 -1.76 0.53 113.55 112.73 1tru h SER 46 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1tru h SER 46 Cb 0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1tru h SER 46 CO 0.00 0.54 -1.06 -0.33 -1.14 0.00 0.00 176.83 174.85 1tru h GLU 47 N 0.95 0.00 0.00 3.45 3.07 -1.70 -3.35 114.58 117.00 1tru h GLU 47 Ca 0.36 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.18 1tru h GLU 47 Cb 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1tru h GLU 47 CO -0.13 0.14 -0.36 -0.22 -1.40 0.00 0.00 179.01 177.04 1tru h LYS 48 N 0.00 0.00 -3.56 2.33 3.64 -1.38 -3.42 116.57 114.18 1tru h LYS 48 Ca -0.06 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.60 1tru h LYS 48 Cb 1.24 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.73 1tru h LYS 48 CO 0.02 0.33 -0.16 0.71 -2.27 0.00 0.00 179.45 178.08 1tru s TYR 49 N -2.01 3.64 -1.25 1.91 2.02 0.18 -4.88 117.35 116.94 1tru s TYR 49 Ca -0.13 -2.64 0.17 0.00 -0.37 0.00 0.00 57.07 54.11 1tru s TYR 49 Cb 0.01 -3.37 0.82 0.00 -0.40 0.00 0.00 41.96 39.02 1tru s TYR 49 CO 0.28 -0.85 1.53 -1.13 -1.57 0.00 0.00 175.55 173.81 1tru n SER 50 N 3.26 0.00 -2.22 2.29 3.41 -1.26 -2.87 113.62 116.24 1tru n SER 50 Ca 0.13 0.23 -0.25 0.00 -0.26 0.00 0.00 58.87 58.72 1tru n SER 50 Cb 0.40 -0.38 0.17 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.38 4.23 -4.03 4.04 5.15 -1.26 -4.46 115.26 117.55 1tru n ASN 51 Ca 0.07 -3.64 -0.18 0.00 -0.60 0.00 0.00 54.58 50.23 1tru n ASN 51 Cb 0.16 -0.85 -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 -3.50 0.73 -0.32 3.44 1.01 -1.14 -4.71 120.40 115.92 1tru s VAL 52 Ca 0.58 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1tru s VAL 52 Cb 0.48 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1tru s VAL 52 CO 0.09 0.15 0.28 -0.63 0.00 0.00 0.00 175.10 175.00 1tru s ILE 53 N -0.33 5.24 -0.15 2.22 -1.09 -1.19 -3.71 121.20 122.20 1tru s ILE 53 Ca 0.03 0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.43 1tru s ILE 53 Cb -0.04 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 1tru s ILE 53 CO -0.00 0.03 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.30 1tru s PHE 54 N 1.86 2.94 -0.08 3.97 0.08 -1.20 -2.30 117.98 123.25 1tru s PHE 54 Ca 0.09 -0.46 -0.00 0.00 0.12 0.00 0.00 56.93 56.68 1tru s PHE 54 Cb -0.17 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1tru s PHE 54 CO 0.11 -0.13 -0.06 -0.51 -0.10 0.00 0.00 175.22 174.52 1tru s LEU 55 N 0.44 3.18 -0.35 -0.37 1.02 -1.06 -3.12 118.68 118.41 1tru s LEU 55 Ca -0.06 -0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.02 1tru s LEU 55 Cb -0.15 -1.71 0.08 0.00 0.02 0.00 0.00 46.19 44.43 1tru s LEU 55 CO 0.04 0.33 0.11 -0.70 0.02 0.00 0.00 176.35 176.14 1tru s GLU 56 N -0.59 2.24 -0.17 1.70 2.12 -1.16 -1.63 118.70 121.22 1tru s GLU 56 Ca 0.09 -1.52 -0.06 0.00 0.36 0.00 0.00 54.97 53.84 1tru s GLU 56 Cb -0.12 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1tru s GLU 56 CO 0.02 -0.84 0.03 0.08 -0.54 0.00 0.00 175.26 174.02 1tru s VAL 57 N 1.21 4.52 -0.32 3.70 1.01 -1.10 -3.15 120.40 126.28 1tru s VAL 57 Ca 0.02 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1tru s VAL 57 Cb -0.21 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1tru s VAL 57 CO -0.02 0.48 0.37 -0.62 0.00 0.00 0.00 175.10 175.31 1tru s ASP 58 N 0.26 6.20 0.00 3.32 2.15 -1.26 -3.35 116.67 123.99 1tru s ASP 58 Ca 0.02 -0.07 0.02 0.00 0.43 0.00 0.00 52.55 52.95 1tru s ASP 58 Cb -0.13 -2.20 0.14 0.00 -0.30 0.00 0.00 42.92 40.43 1tru s ASP 58 CO 0.01 -0.29 0.43 1.33 -0.17 0.00 0.00 175.17 176.48 1tru n VAL 59 N 5.21 0.00 -0.05 1.11 0.24 -1.18 -1.04 118.33 122.63 1tru n VAL 59 Ca -0.09 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.62 -0.05 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 -0.70 3.26 0.02 -1.34 9.92 -1.26 -4.32 116.55 122.12 1tru n ASP 60 Ca 0.02 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.05 -0.14 0.00 -0.64 0.00 0.00 41.12 40.30 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 0.45 -1.86 -2.24 3.58 -1.81 -3.36 116.42 111.17 1tru h ASP 61 Ca -0.21 -0.89 -0.73 0.00 0.42 0.00 0.00 57.03 55.62 1tru h ASP 61 Cb 1.34 -0.15 -0.30 0.00 1.72 0.00 0.00 39.33 41.95 1tru h ASP 61 CO -0.03 1.71 0.74 0.00 -2.88 0.00 0.00 179.24 178.78 1tru n ALA 62 N -2.96 6.26 0.07 -0.78 0.00 -0.20 -4.71 120.51 118.19 1tru n ALA 62 Ca -0.26 -4.12 0.04 0.00 0.00 0.00 0.00 53.44 49.10 1tru n ALA 62 Cb 0.97 -1.73 0.23 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.55 0.05 -0.04 0.00 10.64 -1.26 -1.06 117.38 125.17 1tru n GLN 63 Ca 0.52 0.52 -0.16 0.00 -1.83 0.00 0.00 57.00 56.05 1tru n GLN 63 Cb 0.33 -1.74 -0.07 0.00 -0.86 0.00 0.00 30.24 27.90 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 0.85 0.57 2.61 2.03 -1.93 -2.19 116.42 118.36 1tru h ASP 64 Ca 0.00 -0.61 -0.18 0.00 -0.73 0.00 0.00 57.03 55.51 1tru h ASP 64 Cb 0.12 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.35 1tru h ASP 64 CO 0.00 1.32 -0.81 0.58 -1.03 0.00 0.00 179.24 179.30 1tru h VAL 65 N 0.43 1.48 -0.24 4.15 2.07 -1.48 -2.94 116.25 119.72 1tru h VAL 65 Ca -0.03 -2.51 -0.09 0.00 0.82 0.00 0.00 66.70 64.89 1tru h VAL 65 Cb 1.27 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1tru h VAL 65 CO 0.13 0.73 -0.25 0.00 0.02 0.00 0.00 177.57 178.21 1tru h ALA 66 N 1.05 1.13 0.11 1.67 0.00 -1.46 -0.23 119.26 121.53 1tru h ALA 66 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1tru h ALA 66 Cb 1.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1tru h ALA 66 CO 0.12 0.54 -0.05 1.03 0.00 0.00 0.00 179.25 180.89 1tru h SER 67 N 0.40 -0.12 -0.65 0.00 0.87 -1.33 -1.34 113.55 111.38 1tru h SER 67 Ca 0.06 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1tru h SER 67 Cb 0.65 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 1tru h SER 67 CO 0.05 0.35 0.30 -0.08 -0.53 0.00 0.00 176.83 176.92 1tru h GLU 68 N -0.63 0.97 0.00 2.24 4.57 -1.47 -0.32 114.58 119.94 1tru h GLU 68 Ca -0.01 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1tru h GLU 68 Cb 0.49 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1tru h GLU 68 CO 0.02 0.77 0.00 0.00 -1.18 0.00 0.00 179.01 178.62 1tru n ALA 69 N -2.44 1.96 -3.27 2.92 0.00 -0.10 -4.87 120.51 114.71 1tru n ALA 69 Ca 0.06 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1tru n ALA 69 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.49 -3.72 -2.85 0.00 -0.58 -0.13 -4.88 120.64 106.99 1tru n GLU 70 Ca 0.05 0.57 -0.43 0.00 -0.42 0.00 0.00 57.16 56.94 1tru n GLU 70 Cb 0.24 -5.31 -0.04 0.00 -0.57 0.00 0.00 31.44 25.76 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1tru s VAL 71 N -2.98 4.56 -0.16 2.62 1.01 -1.05 -4.87 120.40 119.53 1tru s VAL 71 Ca 0.37 0.89 0.14 0.00 0.00 0.00 0.00 61.98 63.38 1tru s VAL 71 Cb -0.19 -4.36 0.38 0.00 0.00 0.00 0.00 36.38 32.21 1tru s VAL 71 CO 0.46 -0.67 1.19 0.29 0.00 0.00 0.00 175.10 176.37 1tru n LYS 72 N 6.90 1.31 -3.31 2.72 4.76 -1.26 -4.90 118.16 124.38 1tru n LYS 72 Ca 0.06 -2.94 -0.10 0.00 -2.87 0.00 0.00 58.31 52.45 1tru n LYS 72 Cb 0.48 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.73 -1.12 0.22 7.82 0.00 -1.26 -5.15 121.76 119.54 1tru s ALA 73 Ca 0.35 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1tru s ALA 73 Cb 0.34 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1tru s ALA 73 CO -0.06 -2.12 0.43 0.95 0.00 0.00 0.00 175.76 174.96 1tru s THR 74 N 1.68 5.16 0.45 0.00 -4.23 -1.26 -4.04 115.64 113.40 1tru s THR 74 Ca 0.16 -0.25 -0.21 0.00 -1.18 0.00 0.00 61.69 60.21 1tru s THR 74 Cb -0.11 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.07 -0.20 0.99 -2.16 -0.54 0.00 0.00 174.62 172.63 1tru s PRO 75 N -3.36 4.05 -0.03 3.99 0.04 -1.26 -5.02 135.00 133.40 1tru s PRO 75 Ca 0.40 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 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 -0.20 0.04 0.99 0.04 0.00 0.00 177.00 178.16 1tru s THR 76 N -2.08 -0.05 -0.11 1.26 2.01 -0.56 -3.42 115.64 112.69 1tru s THR 76 Ca 0.64 0.31 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 1tru s THR 76 Cb -0.12 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1tru s THR 76 CO 0.16 0.14 0.04 -0.36 -0.69 0.00 0.00 174.62 173.92 1tru s PHE 77 N 1.65 3.27 -0.00 4.92 0.08 -1.18 -0.62 117.98 126.10 1tru s PHE 77 Ca -0.02 0.23 0.05 0.00 0.12 0.00 0.00 56.93 57.32 1tru s PHE 77 Cb -0.13 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1tru s PHE 77 CO -0.03 0.46 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.73 1tru s GLN 78 N -0.65 1.33 -0.23 0.44 -0.21 -0.28 -2.44 119.66 117.62 1tru s GLN 78 Ca 0.11 -0.64 -0.08 0.00 0.02 0.00 0.00 55.36 54.77 1tru s GLN 78 Cb -0.12 -1.31 -0.04 0.00 1.00 0.00 0.00 33.01 32.55 1tru s GLN 78 CO 0.02 0.35 0.08 -0.06 -2.12 0.00 0.00 175.29 173.57 1tru s PHE 79 N -0.47 3.15 0.19 0.91 0.40 0.73 -0.34 117.98 122.56 1tru s PHE 79 Ca 0.06 -0.19 0.09 0.00 -0.60 0.00 0.00 56.93 56.29 1tru s PHE 79 Cb -0.07 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1tru s PHE 79 CO -0.00 -0.17 -0.18 -0.06 0.70 0.00 0.00 175.22 175.50 1tru s PHE 80 N 1.24 1.92 -0.21 0.36 0.08 0.70 -1.55 117.98 120.53 1tru s PHE 80 Ca 0.05 -0.46 -0.14 0.00 0.12 0.00 0.00 56.93 56.51 1tru s PHE 80 Cb -0.14 -0.92 0.06 0.00 -0.57 0.00 0.00 43.02 41.45 1tru s PHE 80 CO 0.04 0.42 0.51 0.21 -0.10 0.00 0.00 175.22 176.30 1tru s LYS 81 N -3.08 0.54 -0.46 0.44 2.20 -0.22 -2.12 119.74 117.04 1tru s LYS 81 Ca 0.20 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1tru s LYS 81 Cb -0.05 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1tru s LYS 81 CO 0.08 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.57 1tru n LYS 82 N 3.85 -1.76 -0.78 4.03 5.02 -1.25 0.84 118.16 128.11 1tru n LYS 82 Ca -0.20 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1tru n LYS 82 Cb 0.56 -4.34 0.00 0.00 -0.02 0.00 0.00 35.03 31.23 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 0.32 1.10 2.94 0.72 0.00 -1.26 -4.97 105.19 104.03 1tru n GLY 83 Ca -0.04 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.95 1.11 -0.05 1.61 -0.21 0.25 -5.10 119.66 115.32 1tru s GLN 84 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.88 1tru s GLN 84 Cb 0.00 -1.02 -0.06 0.00 1.00 0.00 0.00 33.01 32.94 1tru s GLN 84 CO 0.00 -0.04 1.65 0.21 -2.12 0.00 0.00 175.29 174.99 1tru s LYS 85 N 0.82 4.18 -0.01 2.91 2.20 -1.26 -1.05 119.74 127.53 1tru s LYS 85 Ca -0.12 2.20 0.09 0.00 -0.36 0.00 0.00 55.97 57.78 1tru s LYS 85 Cb -0.15 -3.97 -0.14 0.00 -1.51 0.00 0.00 37.83 32.06 1tru s LYS 85 CO 0.01 -0.84 0.22 1.33 -0.36 0.00 0.00 175.35 175.72 1tru n VAL 86 N 5.44 0.00 -3.58 4.02 0.24 -0.59 -4.95 118.33 118.90 1tru n VAL 86 Ca 0.17 -0.22 -0.08 0.00 -2.04 0.00 0.00 64.34 62.17 1tru n VAL 86 Cb 0.43 0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 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 -3.00 -0.41 -0.22 7.63 0.00 -1.16 -5.02 107.32 105.14 1tru s GLY 87 Ca -0.03 0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.86 1tru s GLY 87 CO 0.39 0.14 1.13 1.85 0.00 0.00 0.00 173.10 176.61 1tru s GLU 88 N -3.50 0.41 -0.29 2.90 -6.30 -1.26 -0.19 118.70 110.47 1tru s GLU 88 Ca 0.06 0.17 -0.16 0.00 -2.50 0.00 0.00 54.97 52.54 1tru s GLU 88 Cb -0.02 0.19 0.13 0.00 0.00 0.00 0.00 34.13 34.44 1tru s GLU 88 CO -0.06 -0.11 0.91 -0.59 0.02 0.00 0.00 175.26 175.43 1tru s PHE 89 N -0.82 -0.69 -0.14 5.30 -0.12 -1.02 -5.00 117.98 115.49 1tru s PHE 89 Ca 0.02 1.38 -0.05 0.00 -0.05 0.00 0.00 56.93 58.23 1tru s PHE 89 Cb -0.02 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1tru s PHE 89 CO -0.03 -0.34 0.04 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 1.47 5.51 0.00 1.98 1.04 -1.26 -3.12 113.70 119.32 1tru s SER 90 Ca -0.09 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1tru s SER 90 Cb -0.04 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1tru s SER 90 CO -0.16 0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1tru n GLY 91 N 2.80 3.86 2.12 7.32 0.00 -1.22 -4.97 105.19 115.10 1tru n GLY 91 Ca -0.18 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.27 6.81 -3.46 4.61 0.00 -1.26 -4.73 120.51 121.22 1tru n ALA 92 Ca 0.00 -2.45 -0.41 0.00 0.00 0.00 0.00 53.44 50.58 1tru n ALA 92 Cb 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 16.71 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 2.90 4.98 0.13 0.00 4.05 -1.26 -4.86 115.26 121.20 1tru n ASN 93 Ca 0.56 -3.09 0.09 0.00 0.45 0.00 0.00 54.58 52.59 1tru n ASN 93 Cb 0.66 -1.23 0.59 0.00 1.23 0.00 0.00 39.78 41.03 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 6.31 0.16 0.00 1.20 2.10 -1.99 0.95 116.57 125.30 1tru h LYS 94 Ca 0.17 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.77 1tru h LYS 94 Cb 0.84 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1tru h LYS 94 CO 0.96 0.10 -0.19 0.93 -2.00 0.00 0.00 179.45 179.25 1tru h GLU 95 N 0.16 0.00 -0.36 0.07 5.08 -1.99 -2.84 114.58 114.71 1tru h GLU 95 Ca 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1tru h GLU 95 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1tru h GLU 95 CO -0.02 0.19 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.84 1tru h LYS 96 N 0.00 0.71 -1.02 2.33 3.64 -1.21 -2.83 116.57 118.20 1tru h LYS 96 Ca -0.00 -0.29 0.26 0.00 -1.27 0.00 0.00 60.65 59.35 1tru h LYS 96 Cb 0.53 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 1tru h LYS 96 CO 0.02 0.89 0.68 -0.07 -2.27 0.00 0.00 179.45 178.70 1tru h LEU 97 N 0.50 0.34 0.01 5.20 3.38 -1.49 0.26 115.31 123.51 1tru h LEU 97 Ca 0.08 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1tru h LEU 97 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1tru h LEU 97 CO 0.04 0.08 -0.00 -0.08 0.09 0.00 0.00 178.44 178.57 1tru h GLU 98 N 0.31 -0.01 -0.61 1.13 4.81 -1.60 0.18 114.58 118.79 1tru h GLU 98 Ca 0.55 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.92 1tru h GLU 98 Cb 1.56 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.91 1tru h GLU 98 CO -0.21 -0.01 0.42 0.00 -0.73 0.00 0.00 179.01 178.49 1tru h ALA 99 N -1.99 2.26 0.08 2.92 0.00 -1.51 -1.38 119.26 119.63 1tru h ALA 99 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tru h ALA 99 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tru h ALA 99 CO 0.00 -0.42 -0.04 1.15 0.00 0.00 0.00 179.25 179.95 1tru h THR 100 N 0.23 1.20 -0.86 0.00 2.02 -0.48 -2.53 112.91 112.48 1tru h THR 100 Ca 0.29 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.34 1tru h THR 100 Cb 0.84 1.95 -0.06 0.00 -1.74 0.00 0.00 68.15 69.13 1tru h THR 100 CO -0.06 0.29 0.53 0.40 0.37 0.00 0.00 175.52 177.05 1tru h ILE 101 N -0.68 1.02 0.00 3.11 2.04 -0.04 0.46 117.51 123.43 1tru h ILE 101 Ca -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1tru h ILE 101 Cb 0.55 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1tru h ILE 101 CO 0.02 0.17 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1tru n ASN 102 N -4.64 0.00 -0.06 1.72 5.15 -0.57 -2.21 115.26 114.65 1tru n ASN 102 Ca 0.13 -0.53 -0.07 0.00 -0.60 0.00 0.00 54.58 53.51 1tru n ASN 102 Cb 0.20 -0.07 -0.06 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 -0.63 1.20 4.81 0.39 -3.35 114.58 117.00 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tru h GLU 103 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1tru h GLU 103 CO 0.00 0.44 0.00 1.28 -0.73 0.00 0.00 179.01 180.00 1tru n LEU 104 N -4.68 4.97 0.00 1.64 4.77 -1.18 -5.11 117.00 117.40 1tru n LEU 104 Ca -0.06 -2.52 0.06 0.00 -0.03 0.00 0.00 56.01 53.46 1tru n LEU 104 Cb 0.24 -0.63 0.35 0.00 -2.33 0.00 0.00 43.42 41.05 1tru n LEU 104 CO 0.15 0.66 0.56 0.55 -1.33 0.00 0.00 177.39 177.98