#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 0.11 -0.19 2.03 1.01 -1.26 -3.33 120.40 118.77 1tru s VAL 2 Ca 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 61.98 60.44 1tru s VAL 2 Cb 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.75 1tru s VAL 2 CO 0.00 -0.49 0.38 -0.75 0.00 0.00 0.00 175.10 174.24 1tru s LYS 3 N -3.95 0.29 -0.26 2.72 2.47 -1.03 -4.97 119.74 115.01 1tru s LYS 3 Ca 0.15 0.88 -0.29 0.00 -1.56 0.00 0.00 55.97 55.15 1tru s LYS 3 Cb 0.05 0.09 0.01 0.00 -1.46 0.00 0.00 37.83 36.52 1tru s LYS 3 CO -0.03 -0.34 1.03 -1.14 0.16 0.00 0.00 175.35 175.03 1tru s GLN 4 N 2.56 4.19 -0.47 4.03 0.74 -1.26 -2.75 119.66 126.71 1tru s GLN 4 Ca 0.02 1.24 -0.23 0.00 0.05 0.00 0.00 55.36 56.43 1tru s GLN 4 Cb -0.13 -3.67 0.03 0.00 1.10 0.00 0.00 33.01 30.34 1tru s GLN 4 CO -0.13 -0.70 0.79 0.42 -0.55 0.00 0.00 175.29 175.12 1tru s ILE 5 N 3.30 4.64 -0.44 -2.34 -1.09 -1.19 -4.88 121.20 119.20 1tru s ILE 5 Ca 0.44 0.34 0.23 0.00 -2.23 0.00 0.00 60.65 59.43 1tru s ILE 5 Cb -0.14 -4.34 0.01 0.00 -1.58 0.00 0.00 42.46 36.41 1tru s ILE 5 CO 0.09 -0.77 1.16 -0.33 -1.23 0.00 0.00 174.94 173.87 1tru h GLU 6 N 9.02 0.00 -3.01 2.79 4.39 -1.94 -3.42 114.58 122.42 1tru h GLU 6 Ca -0.25 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 1tru h GLU 6 Cb 1.08 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.63 1tru h GLU 6 CO 0.97 0.00 0.21 -1.54 -1.16 0.00 0.00 179.01 177.49 1tru s SER 7 N -4.77 -0.51 0.60 1.42 1.04 -1.26 -4.37 113.70 105.85 1tru s SER 7 Ca 0.03 -0.12 0.29 0.00 0.48 0.00 0.00 55.95 56.62 1tru s SER 7 Cb 0.11 0.62 1.55 0.00 0.10 0.00 0.00 66.02 68.40 1tru s SER 7 CO 0.76 -1.04 1.95 0.50 0.98 0.00 0.00 173.24 176.39 1tru h LYS 8 N 2.00 0.00 0.60 4.02 3.64 -1.93 -1.68 116.57 123.23 1tru h LYS 8 Ca -0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1tru h LYS 8 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.35 0.00 -0.34 1.15 -2.27 0.00 0.00 179.45 178.35 1tru h THR 9 N 0.00 0.31 0.00 1.00 2.02 -2.00 -1.82 112.91 112.42 1tru h THR 9 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1tru h THR 9 Cb 0.93 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 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 -0.51 1.33 0.36 6.16 0.00 -1.72 -2.88 119.26 122.01 1tru h ALA 10 Ca -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1tru h ALA 10 CO 0.10 0.10 -0.17 0.35 0.00 0.00 0.00 179.25 179.62 1tru h PHE 11 N 0.00 -0.45 0.13 0.00 3.57 -1.02 0.17 116.94 119.33 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 0.23 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1tru h PHE 11 CO 0.00 -0.24 -0.06 1.96 -2.23 0.00 0.00 178.31 177.74 1tru h GLN 12 N -0.54 -0.16 -0.08 1.11 4.20 -1.27 -2.41 115.11 115.96 1tru h GLN 12 Ca -0.05 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1tru h GLN 12 Cb 0.41 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1tru h GLN 12 CO 0.08 0.03 0.06 0.93 -0.67 0.00 0.00 178.83 179.26 1tru h GLU 13 N -0.32 0.00 -0.32 1.46 5.08 -1.49 -1.60 114.58 117.38 1tru h GLU 13 Ca -0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1tru h GLU 13 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1tru h GLU 13 CO 0.03 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.60 1tru h ALA 14 N 1.95 0.62 -0.21 3.43 0.00 -0.19 -0.32 119.26 124.53 1tru h ALA 14 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1tru h ALA 14 Cb 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1tru h ALA 14 CO -0.00 0.67 -0.14 -0.07 0.00 0.00 0.00 179.25 179.71 1tru h LEU 15 N 0.66 0.49 -0.90 0.00 3.38 -0.86 -1.48 115.31 116.59 1tru h LEU 15 Ca 0.04 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 1tru h LEU 15 Cb 1.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1tru h LEU 15 CO 0.10 0.82 -0.32 -0.78 0.09 0.00 0.00 178.44 178.35 1tru h ASP 16 N 0.16 0.43 0.37 -0.43 3.58 -1.44 -2.68 116.42 116.41 1tru h ASP 16 Ca 0.04 -0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.22 1tru h ASP 16 Cb 0.66 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1tru h ASP 16 CO 0.04 0.73 -0.48 0.00 -2.88 0.00 0.00 179.24 176.65 1tru h ALA 17 N 1.30 1.09 -0.45 -0.78 0.00 -0.95 -2.85 119.26 116.62 1tru h ALA 17 Ca 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1tru h ALA 17 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1tru h ALA 17 CO 0.06 0.63 0.16 0.00 0.00 0.00 0.00 179.25 180.09 1tru h ALA 18 N 1.40 1.43 0.00 0.00 0.00 -0.92 -3.48 119.26 117.70 1tru h ALA 18 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 18 Cb 0.90 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1tru h ALA 18 CO 0.07 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1tru n GLY 19 N -1.09 2.03 0.51 0.00 0.00 -1.08 -3.29 105.19 102.27 1tru n GLY 19 Ca 0.03 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 7.87 2.74 -4.83 1.61 2.03 -1.26 -3.78 116.55 120.93 1tru n ASP 20 Ca 0.00 -2.02 -0.31 0.00 0.52 0.00 0.00 54.79 52.98 1tru n ASP 20 Cb 0.00 -0.19 0.04 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.03 3.07 0.81 -0.67 1.02 -1.21 -4.83 119.74 116.90 1tru s LYS 21 Ca 0.19 0.89 -0.12 0.00 0.02 0.00 0.00 55.97 56.94 1tru s LYS 21 Cb 0.10 -2.01 0.08 0.00 -0.52 0.00 0.00 37.83 35.48 1tru s LYS 21 CO 0.12 -0.99 1.16 -1.17 -0.92 0.00 0.00 175.35 173.55 1tru s LEU 22 N -5.46 3.08 -0.32 3.17 0.20 -1.26 -4.59 118.68 113.50 1tru s LEU 22 Ca 0.57 2.19 0.01 0.00 0.69 0.00 0.00 54.13 57.59 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 0.55 -2.55 0.32 -0.69 -0.29 0.00 0.00 176.35 173.69 1tru s VAL 23 N -2.43 -0.34 -0.30 1.68 1.01 -0.94 -3.03 120.40 116.05 1tru s VAL 23 Ca 0.69 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1tru s VAL 23 Cb -0.24 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1tru s VAL 23 CO 0.52 -0.55 0.24 -0.69 0.00 0.00 0.00 175.10 174.63 1tru s VAL 24 N 1.93 5.27 -0.09 2.92 1.01 -1.03 -0.18 120.40 130.24 1tru s VAL 24 Ca 0.13 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 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 -0.20 0.15 0.29 -0.69 0.00 0.00 0.00 175.10 174.64 1tru s VAL 25 N 1.82 5.26 -0.30 2.92 1.01 0.47 -2.64 120.40 128.95 1tru s VAL 25 Ca 0.08 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 1tru s VAL 25 Cb -0.16 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1tru s VAL 25 CO 0.11 0.53 0.04 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.54 4.97 -0.50 3.32 2.15 -0.76 -1.19 116.67 124.13 1tru s ASP 26 Ca 0.19 -0.95 -0.16 0.00 0.43 0.00 0.00 52.55 52.06 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 -0.23 0.46 -0.36 -0.17 0.00 0.00 175.17 174.95 1tru s PHE 27 N 1.40 3.22 0.22 -5.34 0.08 -0.03 -2.87 117.98 114.65 1tru s PHE 27 Ca -0.00 -1.00 -0.03 0.00 0.12 0.00 0.00 56.93 56.02 1tru s PHE 27 Cb -0.18 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 38.82 1tru s PHE 27 CO 0.01 -0.90 0.21 -1.54 -0.10 0.00 0.00 175.22 172.89 1tru s SER 28 N 2.94 0.16 -0.55 1.36 1.04 -1.23 -1.58 113.70 115.84 1tru s SER 28 Ca 0.05 -1.31 -0.17 0.00 0.48 0.00 0.00 55.95 55.00 1tru s SER 28 Cb -0.25 0.43 0.11 0.00 0.10 0.00 0.00 66.02 66.40 1tru s SER 28 CO 0.06 -0.92 0.58 0.00 0.98 0.00 0.00 173.24 173.94 1tru s ALA 29 N -4.09 3.52 0.55 5.32 0.00 -1.26 -3.15 121.76 122.65 1tru s ALA 29 Ca 0.36 -2.29 0.25 0.00 0.00 0.00 0.00 51.96 50.28 1tru s ALA 29 Cb 0.05 -3.36 1.47 0.00 0.00 0.00 0.00 23.12 21.28 1tru s ALA 29 CO 0.12 -2.12 2.05 0.00 0.00 0.00 0.00 175.76 175.81 1tru h THR 30 N 5.89 0.67 0.00 0.00 1.03 -1.95 0.22 112.91 118.77 1tru h THR 30 Ca -0.29 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 65.95 1tru h THR 30 Cb 1.10 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 1tru h THR 30 CO 1.04 0.00 -0.73 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 -3.45 115.95 111.68 1tru h TRP 31 Ca 0.15 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.65 1tru h TRP 31 Cb 0.68 0.00 0.17 0.00 -3.00 0.00 0.00 29.16 27.01 1tru h TRP 31 CO 0.00 0.73 0.18 0.00 -1.28 0.00 0.00 178.44 178.07 1tru n GLY 33 N -0.50 -0.38 0.34 0.00 0.00 -1.26 -4.00 105.19 99.40 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 -0.97 132.00 130.79 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 0.12 0.23 0.00 4.81 -0.61 -2.04 118.16 116.01 1tru n LYS 36 Ca -0.08 0.21 0.16 0.00 -0.87 0.00 0.00 58.31 57.73 1tru n LYS 36 Cb 0.32 -1.50 0.69 0.00 0.02 0.00 0.00 35.03 34.56 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 -2.44 114.93 115.97 1tru h MET 37 Ca 0.00 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.06 1tru h MET 37 Cb 0.10 0.00 -0.21 0.00 -0.80 0.00 0.00 31.60 30.69 1tru h MET 37 CO 0.00 0.00 0.45 -0.89 0.23 0.00 0.00 176.91 176.70 1tru n ILE 38 N -2.72 2.66 0.05 1.77 5.41 -0.87 -4.33 119.36 121.32 1tru n ILE 38 Ca 0.00 -1.45 0.02 0.00 1.00 0.00 0.00 62.75 62.33 1tru n ILE 38 Cb 0.22 -0.56 -0.06 0.00 -0.71 0.00 0.00 39.64 38.53 1tru n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1tru h LYS 39 N 1.05 0.00 0.00 0.38 2.10 -1.67 -3.25 116.57 115.17 1tru h LYS 39 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1tru h LYS 39 Cb 2.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.70 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 -2.87 0.68 0.00 0.07 -0.04 -1.26 -2.67 135.00 128.91 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 -4.37 117.46 115.71 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 -0.87 0.00 1.38 3.57 -1.68 -2.07 116.94 117.27 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 -0.54 0.00 1.58 -2.23 0.00 0.00 178.31 177.12 1tru n HIS 43 N -4.55 0.00 0.04 0.41 -0.00 -1.09 -2.04 115.22 108.00 1tru n HIS 43 Ca -0.12 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.04 1tru n HIS 43 Cb 0.37 -0.21 -0.08 0.00 -0.12 0.00 0.00 29.99 29.95 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 0.03 0.26 0.87 -1.28 -3.29 113.55 110.14 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 0.69 0.00 0.18 -0.53 0.00 0.00 176.83 177.17 1tru n LEU 45 N -3.02 0.43 -0.05 2.23 4.77 -0.86 -1.72 117.00 118.77 1tru n LEU 45 Ca -0.08 0.70 0.09 0.00 -0.03 0.00 0.00 56.01 56.69 1tru n LEU 45 Cb 0.88 -0.75 0.48 0.00 -2.33 0.00 0.00 43.42 41.70 1tru n LEU 45 CO 0.43 -0.83 1.18 0.28 -1.33 0.00 0.00 177.39 177.12 1tru h SER 46 N 0.00 0.40 0.76 -1.43 0.02 -1.75 0.50 113.55 112.05 1tru h SER 46 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1tru h SER 46 Cb 0.01 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1tru h SER 46 CO 0.00 0.26 -1.35 -0.33 -1.14 0.00 0.00 176.83 174.27 1tru h GLU 47 N 0.45 0.00 0.00 3.45 5.08 -1.61 -3.35 114.58 118.60 1tru h GLU 47 Ca 0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1tru h GLU 47 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1tru h GLU 47 CO -0.06 0.33 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.62 1tru h LYS 48 N 0.00 0.00 -3.52 2.33 3.64 -1.34 -3.42 116.57 114.26 1tru h LYS 48 Ca -0.15 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.50 1tru h LYS 48 Cb 1.59 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 33.08 1tru h LYS 48 CO 0.05 0.53 -0.13 0.71 -2.27 0.00 0.00 179.45 178.33 1tru s TYR 49 N -2.09 3.70 -1.36 1.91 2.02 0.17 -4.88 117.35 116.82 1tru s TYR 49 Ca -0.16 -2.71 0.17 0.00 -0.37 0.00 0.00 57.07 54.00 1tru s TYR 49 Cb 0.01 -3.36 0.84 0.00 -0.40 0.00 0.00 41.96 39.05 1tru s TYR 49 CO 0.39 -0.84 1.51 -1.13 -1.57 0.00 0.00 175.55 173.91 1tru n SER 50 N 3.09 0.00 -2.18 2.29 3.41 -1.26 -2.77 113.62 116.21 1tru n SER 50 Ca 0.15 0.12 -0.25 0.00 -0.26 0.00 0.00 58.87 58.63 1tru n SER 50 Cb 0.39 -0.32 0.15 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.32 4.42 -4.06 4.04 5.15 -1.26 -4.31 115.26 117.92 1tru n ASN 51 Ca 0.07 -3.55 -0.18 0.00 -0.60 0.00 0.00 54.58 50.32 1tru n ASN 51 Cb 0.15 -0.85 -0.14 0.00 -0.53 0.00 0.00 39.78 38.41 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 -3.37 0.80 -0.31 3.44 1.01 -1.11 -4.74 120.40 116.12 1tru s VAL 52 Ca 0.55 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1tru s VAL 52 Cb 0.46 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1tru s VAL 52 CO 0.08 0.08 0.25 -0.63 0.00 0.00 0.00 175.10 174.89 1tru s ILE 53 N -0.51 5.27 -0.16 2.22 -1.09 -1.17 -3.40 121.20 122.36 1tru s ILE 53 Ca 0.01 0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 1tru s ILE 53 Cb -0.05 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1tru s ILE 53 CO 0.00 0.11 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.38 1tru s PHE 54 N 1.82 2.90 -0.12 3.97 0.08 -1.21 -2.47 117.98 122.95 1tru s PHE 54 Ca 0.08 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.50 1tru s PHE 54 Cb -0.16 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1tru s PHE 54 CO 0.11 -0.23 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.46 1tru s LEU 55 N 0.59 3.36 -0.37 -0.37 1.02 -1.08 -2.46 118.68 119.37 1tru s LEU 55 Ca -0.05 -0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.04 1tru s LEU 55 Cb -0.15 -1.79 0.08 0.00 0.02 0.00 0.00 46.19 44.35 1tru s LEU 55 CO 0.03 0.26 0.13 -0.70 0.02 0.00 0.00 176.35 176.09 1tru s GLU 56 N -0.19 2.23 -0.18 1.70 2.12 -1.11 -1.82 118.70 121.45 1tru s GLU 56 Ca 0.04 -1.55 -0.07 0.00 0.36 0.00 0.00 54.97 53.75 1tru s GLU 56 Cb -0.13 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1tru s GLU 56 CO 0.02 -0.88 0.04 0.08 -0.54 0.00 0.00 175.26 173.99 1tru s VAL 57 N 1.22 4.61 -0.33 3.70 1.01 -1.14 -3.19 120.40 126.27 1tru s VAL 57 Ca 0.03 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1tru s VAL 57 Cb -0.21 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1tru s VAL 57 CO -0.02 0.46 0.39 -0.62 0.00 0.00 0.00 175.10 175.31 1tru s ASP 58 N 0.42 6.21 0.00 3.32 2.15 -1.26 -3.48 116.67 124.03 1tru s ASP 58 Ca 0.02 -0.11 0.02 0.00 0.43 0.00 0.00 52.55 52.91 1tru s ASP 58 Cb -0.13 -2.21 0.13 0.00 -0.30 0.00 0.00 42.92 40.41 1tru s ASP 58 CO 0.01 -0.33 0.42 1.33 -0.17 0.00 0.00 175.17 176.43 1tru n VAL 59 N 5.25 0.00 -0.05 1.11 0.24 -1.19 -0.96 118.33 122.73 1tru n VAL 59 Ca -0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.14 1tru n VAL 59 Cb 0.50 -0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 32.16 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 -0.73 3.15 -0.00 -1.34 9.92 -1.26 -4.29 116.55 122.00 1tru n ASP 60 Ca 0.02 -0.06 -0.21 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 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 0.36 -1.93 -2.24 3.58 -1.81 -3.37 116.42 111.01 1tru h ASP 61 Ca -0.24 -0.84 -0.74 0.00 0.42 0.00 0.00 57.03 55.63 1tru h ASP 61 Cb 1.38 -0.12 -0.30 0.00 1.72 0.00 0.00 39.33 42.02 1tru h ASP 61 CO -0.04 1.64 0.74 0.00 -2.88 0.00 0.00 179.24 178.70 1tru n ALA 62 N -3.00 6.25 0.08 -0.78 0.00 -0.13 -4.72 120.51 118.20 1tru n ALA 62 Ca -0.26 -4.18 0.05 0.00 0.00 0.00 0.00 53.44 49.05 1tru n ALA 62 Cb 0.90 -1.74 0.28 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.51 0.07 -0.05 0.00 10.64 -1.26 -1.05 117.38 125.22 1tru n GLN 63 Ca 0.51 0.54 -0.16 0.00 -1.83 0.00 0.00 57.00 56.06 1tru n GLN 63 Cb 0.31 -1.77 -0.05 0.00 -0.86 0.00 0.00 30.24 27.86 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 0.96 0.25 2.61 3.04 -1.93 -0.91 116.42 120.44 1tru h ASP 64 Ca 0.00 -0.56 -0.22 0.00 -3.24 0.00 0.00 57.03 53.00 1tru h ASP 64 Cb 0.11 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.12 1tru h ASP 64 CO 0.00 1.36 -0.91 0.58 -2.04 0.00 0.00 179.24 178.24 1tru h VAL 65 N 0.61 1.37 -0.13 4.15 2.07 -1.47 -2.82 116.25 120.03 1tru h VAL 65 Ca -0.02 -2.34 -0.09 0.00 0.82 0.00 0.00 66.70 65.07 1tru h VAL 65 Cb 1.27 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1tru h VAL 65 CO 0.14 0.71 -0.33 0.00 0.02 0.00 0.00 177.57 178.10 1tru h ALA 66 N 0.72 1.20 0.27 1.67 0.00 -1.46 -0.26 119.26 121.40 1tru h ALA 66 Ca -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1tru h ALA 66 Cb 1.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1tru h ALA 66 CO 0.16 0.53 -0.13 0.66 0.00 0.00 0.00 179.25 180.47 1tru h SER 67 N 0.23 -0.31 -0.35 0.00 4.64 -1.11 -1.52 113.55 115.13 1tru h SER 67 Ca 0.03 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 1tru h SER 67 Cb 0.70 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1tru h SER 67 CO 0.05 0.13 0.14 -0.08 -0.87 0.00 0.00 176.83 176.21 1tru h GLU 68 N -0.84 0.58 0.00 4.77 4.57 -1.48 -0.11 114.58 122.06 1tru h GLU 68 Ca -0.04 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1tru h GLU 68 Cb 0.51 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1tru h GLU 68 CO 0.06 0.50 0.00 0.00 -1.18 0.00 0.00 179.01 178.39 1tru n ALA 69 N -2.47 1.96 -3.91 2.92 0.00 -0.11 -4.88 120.51 114.01 1tru n ALA 69 Ca 0.03 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1tru n ALA 69 Cb 0.16 -1.36 0.03 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 -1.68 -5.42 -2.79 0.00 1.02 -0.06 -4.88 120.64 106.84 1tru n GLU 70 Ca 0.05 0.59 -0.43 0.00 -0.02 0.00 0.00 57.16 57.35 1tru n GLU 70 Cb 0.26 -5.45 -0.04 0.00 -0.02 0.00 0.00 31.44 26.20 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 -3.34 4.25 -0.20 2.62 1.01 -1.04 -4.83 120.40 118.88 1tru s VAL 71 Ca 0.60 0.13 0.15 0.00 0.00 0.00 0.00 61.98 62.87 1tru s VAL 71 Cb -0.30 -4.65 0.46 0.00 0.00 0.00 0.00 36.38 31.88 1tru s VAL 71 CO 0.83 -1.34 1.35 0.29 0.00 0.00 0.00 175.10 176.23 1tru n LYS 72 N 7.87 2.15 -3.31 2.72 4.76 -1.26 -4.84 118.16 126.24 1tru n LYS 72 Ca 0.01 -2.89 -0.11 0.00 -2.87 0.00 0.00 58.31 52.45 1tru n LYS 72 Cb 0.47 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.97 -1.08 0.23 7.82 0.00 -1.26 -5.15 121.76 119.35 1tru s ALA 73 Ca 0.40 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1tru s ALA 73 Cb 0.34 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 1tru s ALA 73 CO 0.04 -2.15 0.44 0.95 0.00 0.00 0.00 175.76 175.04 1tru s THR 74 N 1.61 5.15 0.48 0.00 -4.23 -1.26 -4.06 115.64 113.33 1tru s THR 74 Ca 0.16 -0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.25 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 -0.21 1.00 -2.16 -0.54 0.00 0.00 174.62 172.65 1tru s PRO 75 N -3.37 3.92 -0.05 3.99 0.04 -1.26 -5.01 135.00 133.25 1tru s PRO 75 Ca 0.40 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 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 -0.31 0.03 0.99 0.04 0.00 0.00 177.00 178.04 1tru s THR 76 N -2.20 0.07 -0.15 1.26 2.01 -0.62 -3.39 115.64 112.63 1tru s THR 76 Ca 0.64 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.87 1tru s THR 76 Cb -0.13 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1tru s THR 76 CO 0.21 0.20 0.05 -0.36 -0.69 0.00 0.00 174.62 174.03 1tru s PHE 77 N 1.92 3.27 0.03 4.92 0.40 -1.09 -0.85 117.98 126.58 1tru s PHE 77 Ca 0.03 0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.59 1tru s PHE 77 Cb -0.12 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 1tru s PHE 77 CO -0.04 0.32 -0.23 -0.65 0.70 0.00 0.00 175.22 175.32 1tru s GLN 78 N -0.18 1.65 -0.37 0.44 -0.21 -0.33 -1.90 119.66 118.76 1tru s GLN 78 Ca 0.07 -0.98 -0.08 0.00 0.02 0.00 0.00 55.36 54.39 1tru s GLN 78 Cb -0.12 -1.76 0.05 0.00 1.00 0.00 0.00 33.01 32.18 1tru s GLN 78 CO 0.01 0.46 0.17 -0.06 -2.12 0.00 0.00 175.29 173.75 1tru s PHE 79 N -0.74 3.30 0.21 0.91 0.40 0.75 -0.39 117.98 122.41 1tru s PHE 79 Ca 0.09 -1.44 0.07 0.00 -0.60 0.00 0.00 56.93 55.05 1tru s PHE 79 Cb -0.09 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 1tru s PHE 79 CO 0.01 -0.77 0.10 -0.06 0.70 0.00 0.00 175.22 175.20 1tru s PHE 80 N 1.42 2.98 -0.20 0.36 0.08 0.75 -1.66 117.98 121.71 1tru s PHE 80 Ca 0.01 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.81 1tru s PHE 80 Cb -0.21 -1.39 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1tru s PHE 80 CO 0.03 0.54 0.50 0.21 -0.10 0.00 0.00 175.22 176.40 1tru s LYS 81 N -3.41 0.53 0.00 0.44 2.20 -0.64 -2.22 119.74 116.65 1tru s LYS 81 Ca 0.31 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 1tru s LYS 81 Cb -0.08 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1tru s LYS 81 CO 0.22 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.72 1tru n LYS 82 N 3.69 -1.84 -0.48 4.03 5.02 -1.25 0.72 118.16 128.05 1tru n LYS 82 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1tru n LYS 82 Cb 0.56 -4.02 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 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 0.51 1.26 2.90 0.72 0.00 -1.26 -4.93 105.19 104.39 1tru n GLY 83 Ca 0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.41 1.13 -0.29 1.61 -0.21 0.22 -5.09 119.66 115.62 1tru s GLN 84 Ca 0.00 -0.16 -0.28 0.00 0.02 0.00 0.00 55.36 54.93 1tru s GLN 84 Cb 0.00 -1.15 -0.03 0.00 1.00 0.00 0.00 33.01 32.84 1tru s GLN 84 CO 0.00 -0.14 1.84 0.21 -2.12 0.00 0.00 175.29 175.08 1tru s LYS 85 N 1.24 3.38 -0.17 2.91 2.20 -1.26 -1.62 119.74 126.41 1tru s LYS 85 Ca -0.05 1.58 0.17 0.00 -0.36 0.00 0.00 55.97 57.31 1tru s LYS 85 Cb -0.14 -4.20 0.49 0.00 -1.51 0.00 0.00 37.83 32.47 1tru s LYS 85 CO -0.02 -1.80 1.38 1.33 -0.36 0.00 0.00 175.35 175.88 1tru n VAL 86 N 7.32 2.24 0.00 4.02 0.24 -0.66 -4.99 118.33 126.49 1tru n VAL 86 Ca 0.23 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 1tru n VAL 86 Cb 0.46 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 -0.67 3.47 3.56 7.63 0.00 -1.20 -4.98 105.19 112.99 1tru n GLY 87 Ca 0.21 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.06 0.56 -0.28 1.61 4.04 -1.26 -0.18 118.70 121.13 1tru s GLU 88 Ca 0.00 -0.12 -0.23 0.00 0.04 0.00 0.00 54.97 54.66 1tru s GLU 88 Cb 0.00 0.26 0.12 0.00 0.02 0.00 0.00 34.13 34.53 1tru s GLU 88 CO 0.00 -0.23 0.99 -0.59 -1.84 0.00 0.00 175.26 173.59 1tru s PHE 89 N -2.31 -0.54 -0.13 4.83 -0.12 -0.80 -4.98 117.98 113.93 1tru s PHE 89 Ca 0.05 1.24 -0.03 0.00 -0.05 0.00 0.00 56.93 58.14 1tru s PHE 89 Cb -0.01 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1tru s PHE 89 CO -0.05 -0.26 -0.01 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 0.54 5.03 0.00 1.98 1.04 -1.26 -2.67 113.70 118.36 1tru s SER 90 Ca -0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1tru s SER 90 Cb -0.05 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.40 1tru s SER 90 CO -0.08 0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1tru n GLY 91 N 3.02 3.89 2.08 7.32 0.00 -1.22 -4.97 105.19 115.31 1tru n GLY 91 Ca -0.18 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.16 6.67 -3.48 4.61 0.00 -1.26 -4.74 120.51 121.15 1tru n ALA 92 Ca 0.00 -2.25 -0.42 0.00 0.00 0.00 0.00 53.44 50.77 1tru n ALA 92 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.84 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 2.02 6.52 0.49 0.00 3.84 -1.26 -4.88 114.94 121.67 1tru s ASN 93 Ca 0.68 -3.32 0.14 0.00 0.21 0.00 0.00 52.86 50.56 1tru s ASN 93 Cb 0.29 -2.07 1.16 0.00 -0.55 0.00 0.00 41.25 40.07 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 6.78 0.16 0.00 0.43 -0.00 -1.98 -0.23 116.57 121.73 1tru h LYS 94 Ca 0.13 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.71 1tru h LYS 94 Cb 0.91 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.09 1tru h LYS 94 CO 0.86 0.11 -0.28 0.93 -0.00 0.00 0.00 179.45 181.07 1tru h GLU 95 N 0.16 0.00 -0.48 0.07 5.08 -1.99 -2.83 114.58 114.59 1tru h GLU 95 Ca 0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1tru h GLU 95 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1tru h GLU 95 CO -0.01 0.28 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.85 1tru h LYS 96 N 0.00 0.98 -1.00 2.33 3.64 -1.44 -2.85 116.57 118.23 1tru h LYS 96 Ca -0.00 -0.41 0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1tru h LYS 96 Cb 0.61 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.30 1tru h LYS 96 CO 0.04 1.08 0.63 -0.07 -2.27 0.00 0.00 179.45 178.85 1tru h LEU 97 N 0.85 0.59 0.61 5.20 3.38 -1.48 0.16 115.31 124.63 1tru h LEU 97 Ca 0.11 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1tru h LEU 97 Cb 0.77 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1tru h LEU 97 CO 0.06 0.18 -0.29 -0.08 0.09 0.00 0.00 178.44 178.40 1tru h GLU 98 N 0.56 -0.79 -1.00 1.13 4.81 -1.61 0.27 114.58 117.95 1tru h GLU 98 Ca 0.57 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.95 1tru h GLU 98 Cb 1.18 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.66 1tru h GLU 98 CO -0.32 -0.49 0.63 0.00 -0.73 0.00 0.00 179.01 178.09 1tru h ALA 99 N -1.04 1.46 -0.09 2.92 0.00 -1.35 -0.65 119.26 120.50 1tru h ALA 99 Ca -0.08 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 99 Cb 0.67 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tru h ALA 99 CO 0.14 0.30 -0.16 1.15 0.00 0.00 0.00 179.25 180.67 1tru h THR 100 N 1.05 1.39 -0.98 0.00 2.02 -0.67 -2.87 112.91 112.85 1tru h THR 100 Ca 0.47 -1.43 0.07 0.00 0.77 0.00 0.00 66.41 66.30 1tru h THR 100 Cb 0.37 2.10 -0.07 0.00 -1.74 0.00 0.00 68.15 68.82 1tru h THR 100 CO -0.23 0.41 0.62 0.40 0.37 0.00 0.00 175.52 177.09 1tru h ILE 101 N -0.17 1.06 0.00 3.11 2.04 0.06 0.47 117.51 124.08 1tru h ILE 101 Ca 0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.73 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1tru h ILE 101 CO 0.04 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.19 1tru n ASN 102 N -4.54 0.00 -0.06 1.72 5.15 -0.30 -2.26 115.26 114.98 1tru n ASN 102 Ca 0.15 -0.51 -0.05 0.00 -0.60 0.00 0.00 54.58 53.57 1tru n ASN 102 Cb 0.20 -0.07 -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 -0.62 1.20 4.81 0.17 -3.35 114.58 116.79 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 0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.85 1tru n LEU 104 N -4.72 5.30 0.00 1.64 4.77 -1.20 -5.12 117.00 117.68 1tru n LEU 104 Ca -0.04 -2.69 0.06 0.00 -0.03 0.00 0.00 56.01 53.31 1tru n LEU 104 Cb 0.16 -0.67 0.34 0.00 -2.33 0.00 0.00 43.42 40.93 1tru n LEU 104 CO 0.10 0.60 0.56 0.55 -1.33 0.00 0.00 177.39 177.87