#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 -0.19 3.17 1.01 -1.26 -3.11 120.40 120.15 1tru s VAL 2 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1tru s VAL 2 Cb 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.48 1tru s VAL 2 CO 0.00 -0.59 0.41 -0.75 0.00 0.00 0.00 175.10 174.17 1tru s LYS 3 N -2.82 0.32 -0.06 2.72 2.20 -1.15 -5.02 119.74 115.93 1tru s LYS 3 Ca -0.03 0.99 -0.29 0.00 -0.36 0.00 0.00 55.97 56.28 1tru s LYS 3 Cb 0.00 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.56 1tru s LYS 3 CO -0.05 -0.24 0.94 -1.14 -0.36 0.00 0.00 175.35 174.50 1tru s GLN 4 N 2.43 4.47 -0.41 4.03 0.74 -1.26 -3.00 119.66 126.66 1tru s GLN 4 Ca -0.03 1.31 -0.23 0.00 0.05 0.00 0.00 55.36 56.46 1tru s GLN 4 Cb -0.11 -3.50 0.02 0.00 1.10 0.00 0.00 33.01 30.51 1tru s GLN 4 CO -0.13 -0.16 0.76 0.42 -0.55 0.00 0.00 175.29 175.63 1tru s ILE 5 N 1.47 4.71 -0.40 -2.34 -1.09 -1.20 -4.89 121.20 117.47 1tru s ILE 5 Ca 0.48 0.57 0.23 0.00 -2.23 0.00 0.00 60.65 59.70 1tru s ILE 5 Cb -0.19 -4.26 0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1tru s ILE 5 CO 0.22 -0.59 1.14 -0.33 -1.23 0.00 0.00 174.94 174.15 1tru h GLU 6 N 8.77 0.00 -3.01 2.79 5.08 -1.94 -3.42 114.58 122.84 1tru h GLU 6 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1tru h GLU 6 Cb 1.09 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 1tru h GLU 6 CO 0.93 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.60 1tru s SER 7 N -4.89 -0.54 0.59 1.42 1.04 -1.26 -4.45 113.70 105.60 1tru s SER 7 Ca 0.02 -0.04 0.29 0.00 0.48 0.00 0.00 55.95 56.70 1tru s SER 7 Cb 0.11 0.60 1.52 0.00 0.10 0.00 0.00 66.02 68.35 1tru s SER 7 CO 0.77 -0.98 1.95 0.50 0.98 0.00 0.00 173.24 176.46 1tru h LYS 8 N 2.01 0.00 0.52 4.02 3.64 -1.93 -1.52 116.57 123.31 1tru h LYS 8 Ca -0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1tru h LYS 8 Cb 1.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1tru h LYS 8 CO 0.38 0.00 -0.28 1.15 -2.27 0.00 0.00 179.45 178.42 1tru h THR 9 N 0.00 0.42 0.00 1.00 2.02 -2.01 -1.83 112.91 112.51 1tru h THR 9 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1tru h THR 9 Cb 0.99 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1tru h THR 9 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.81 1tru h ALA 10 N -0.29 1.31 0.21 6.16 0.00 -1.69 -2.88 119.26 122.08 1tru h ALA 10 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 10 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1tru h ALA 10 CO 0.09 0.09 -0.10 0.35 0.00 0.00 0.00 179.25 179.68 1tru h PHE 11 N 0.00 -0.26 0.54 0.00 3.57 -1.00 0.28 116.94 120.07 1tru h PHE 11 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.23 0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.06 1tru h PHE 11 CO 0.00 -0.12 -0.26 1.96 -2.23 0.00 0.00 178.31 177.66 1tru h GLN 12 N -0.32 -0.69 -0.08 1.11 4.20 -1.28 -2.40 115.11 115.64 1tru h GLN 12 Ca -0.03 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1tru h GLN 12 Cb 0.25 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1tru h GLN 12 CO 0.05 -0.40 0.08 0.93 -0.67 0.00 0.00 178.83 178.82 1tru h GLU 13 N -0.90 0.00 -0.33 1.46 5.08 -1.54 -1.48 114.58 116.86 1tru h GLU 13 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1tru h GLU 13 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1tru h GLU 13 CO 0.12 0.00 -0.44 0.00 -1.00 0.00 0.00 179.01 177.69 1tru h ALA 14 N 1.92 0.59 -0.22 3.43 0.00 -0.09 -0.86 119.26 124.03 1tru h ALA 14 Ca 0.04 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1tru h ALA 14 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tru h ALA 14 CO -0.00 0.68 -0.20 -0.07 0.00 0.00 0.00 179.25 179.66 1tru h LEU 15 N 0.69 0.56 -1.21 0.00 3.38 -0.79 -2.29 115.31 115.65 1tru h LEU 15 Ca 0.04 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1tru h LEU 15 Cb 1.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1tru h LEU 15 CO 0.10 0.91 -0.39 -0.78 0.09 0.00 0.00 178.44 178.37 1tru h ASP 16 N 0.22 0.00 0.22 -0.43 1.82 -1.46 -2.62 116.42 114.17 1tru h ASP 16 Ca 0.04 -0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.55 1tru h ASP 16 Cb 0.74 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 1tru h ASP 16 CO 0.05 0.40 -0.49 0.00 -1.61 0.00 0.00 179.24 177.59 1tru h ALA 17 N 1.60 0.94 -0.33 -0.78 0.00 -0.99 -2.85 119.26 116.85 1tru h ALA 17 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1tru h ALA 17 Cb 0.70 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1tru h ALA 17 CO 0.05 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.05 1tru h ALA 18 N 1.23 1.54 0.00 0.00 0.00 -1.02 -3.48 119.26 117.54 1tru h ALA 18 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 18 Cb 0.95 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1tru h ALA 18 CO 0.08 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1tru n GLY 19 N -1.14 1.98 0.51 0.00 0.00 -1.08 -3.28 105.19 102.18 1tru n GLY 19 Ca 0.02 -0.53 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 1.22 0.00 0.00 0.00 173.32 174.54 1tru n ASP 20 N 7.91 2.71 -4.83 1.61 9.92 -1.26 -3.72 116.55 128.89 1tru n ASP 20 Ca 0.00 -1.98 -0.31 0.00 -0.53 0.00 0.00 54.79 51.97 1tru n ASP 20 Cb 0.00 -0.18 0.04 0.00 -0.64 0.00 0.00 41.12 40.34 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1tru s LYS 21 N -0.99 3.16 0.86 -1.24 1.02 -1.20 -4.79 119.74 116.54 1tru s LYS 21 Ca 0.18 0.90 -0.11 0.00 0.02 0.00 0.00 55.97 56.97 1tru s LYS 21 Cb 0.10 -2.02 0.11 0.00 -0.52 0.00 0.00 37.83 35.50 1tru s LYS 21 CO 0.13 -0.92 1.14 -1.17 -0.92 0.00 0.00 175.35 173.60 1tru s LEU 22 N -5.39 2.95 -0.33 3.17 0.20 -1.26 -4.54 118.68 113.49 1tru s LEU 22 Ca 0.57 2.11 0.01 0.00 0.69 0.00 0.00 54.13 57.52 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 0.54 -2.73 0.34 -0.69 -0.29 0.00 0.00 176.35 173.52 1tru s VAL 23 N -2.64 -0.40 -0.30 1.68 1.01 -0.80 -3.03 120.40 115.92 1tru s VAL 23 Ca 0.66 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1tru s VAL 23 Cb -0.22 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1tru s VAL 23 CO 0.56 -0.50 0.28 -0.69 0.00 0.00 0.00 175.10 174.75 1tru s VAL 24 N 1.98 5.25 -0.11 2.92 1.01 -0.98 -0.16 120.40 130.30 1tru s VAL 24 Ca 0.13 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 1tru s VAL 24 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1tru s VAL 24 CO -0.20 0.11 0.30 -0.69 0.00 0.00 0.00 175.10 174.62 1tru s VAL 25 N 1.88 5.27 -0.26 2.92 1.01 0.38 -2.50 120.40 129.10 1tru s VAL 25 Ca 0.10 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 1tru s VAL 25 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1tru s VAL 25 CO 0.11 0.48 0.02 -0.62 0.00 0.00 0.00 175.10 175.08 1tru s ASP 26 N -0.17 4.73 -0.49 3.32 2.15 -0.83 -1.15 116.67 124.23 1tru s ASP 26 Ca 0.18 -0.60 -0.16 0.00 0.43 0.00 0.00 52.55 52.40 1tru s ASP 26 Cb -0.14 -1.80 0.09 0.00 -0.30 0.00 0.00 42.92 40.77 1tru s ASP 26 CO 0.06 -0.11 0.43 -0.36 -0.17 0.00 0.00 175.17 175.01 1tru s PHE 27 N 1.47 3.25 0.18 -5.34 0.08 0.64 -2.87 117.98 115.39 1tru s PHE 27 Ca 0.03 -1.04 -0.03 0.00 0.12 0.00 0.00 56.93 56.02 1tru s PHE 27 Cb -0.16 -3.36 -0.03 0.00 -0.57 0.00 0.00 43.02 38.90 1tru s PHE 27 CO -0.00 -0.86 0.15 -1.54 -0.10 0.00 0.00 175.22 172.86 1tru s SER 28 N 2.90 0.17 -0.55 1.36 1.04 -1.22 -1.94 113.70 115.45 1tru s SER 28 Ca 0.04 -1.26 -0.18 0.00 0.48 0.00 0.00 55.95 55.03 1tru s SER 28 Cb -0.26 0.38 0.10 0.00 0.10 0.00 0.00 66.02 66.34 1tru s SER 28 CO 0.06 -0.84 0.61 0.00 0.98 0.00 0.00 173.24 174.05 1tru s ALA 29 N -4.10 3.48 0.55 5.32 0.00 -1.26 -3.13 121.76 122.62 1tru s ALA 29 Ca 0.32 -2.21 0.25 0.00 0.00 0.00 0.00 51.96 50.31 1tru s ALA 29 Cb 0.06 -3.39 1.47 0.00 0.00 0.00 0.00 23.12 21.26 1tru s ALA 29 CO 0.08 -2.15 2.06 0.00 0.00 0.00 0.00 175.76 175.74 1tru h THR 30 N 5.89 0.68 0.00 0.00 1.03 -1.95 0.20 112.91 118.76 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 68.97 1tru h THR 30 CO 1.04 0.00 -0.74 4.11 -0.01 0.00 0.00 175.52 179.92 1tru h TRP 31 N 0.00 0.00 -3.83 0.00 5.08 -2.02 -3.45 115.95 111.73 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 0.66 0.00 0.18 0.00 -3.00 0.00 0.00 29.16 26.99 1tru h TRP 31 CO 0.00 0.74 0.17 0.00 -1.28 0.00 0.00 178.44 178.07 1tru n GLY 33 N -0.37 -0.37 0.34 0.00 0.00 -1.26 -4.03 105.19 99.51 1tru n GLY 33 Ca 0.06 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 -1.34 132.00 130.42 1tru h PRO 34 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 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 -4.64 0.09 0.15 0.00 4.81 -0.62 -2.02 118.16 115.93 1tru n LYS 36 Ca -0.09 0.24 0.12 0.00 -0.87 0.00 0.00 58.31 57.71 1tru n LYS 36 Cb 0.36 -1.50 0.53 0.00 0.02 0.00 0.00 35.03 34.45 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 -1.31 -2.36 114.93 116.06 1tru h MET 37 Ca 0.00 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.12 1tru h MET 37 Cb 0.11 0.00 -0.18 0.00 -0.80 0.00 0.00 31.60 30.73 1tru h MET 37 CO 0.00 0.00 0.38 -0.89 0.23 0.00 0.00 176.91 176.63 1tru n ILE 38 N -2.31 2.71 0.05 1.77 5.41 -0.86 -4.35 119.36 121.79 1tru n ILE 38 Ca 0.01 -1.49 0.02 0.00 1.00 0.00 0.00 62.75 62.29 1tru n ILE 38 Cb 0.19 -0.48 -0.06 0.00 -0.71 0.00 0.00 39.64 38.58 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 1.66 0.00 0.00 0.38 2.10 -1.66 -3.24 116.57 115.81 1tru h LYS 39 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1tru h LYS 39 Cb 2.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.66 1tru h LYS 39 CO 0.78 0.27 0.00 -0.35 -2.00 0.00 0.00 179.45 178.14 1tru n PRO 40 N -2.89 0.68 0.00 0.07 -0.04 -1.26 -2.71 135.00 128.85 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 -1.28 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 -0.78 0.00 0.39 0.54 3.72 -1.25 -4.37 117.46 115.72 1tru n PHE 41 Ca 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 1tru n PHE 41 Cb 0.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tru h PHE 42 N 0.00 -0.92 0.00 1.38 3.57 -1.68 -1.89 116.94 117.39 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 -0.57 0.00 1.58 -2.23 0.00 0.00 178.31 177.09 1tru n HIS 43 N -4.70 0.00 0.06 0.41 -0.00 -1.10 -1.91 115.22 107.98 1tru n HIS 43 Ca -0.12 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.10 1tru n HIS 43 Cb 0.39 -0.19 -0.05 0.00 -0.12 0.00 0.00 29.99 30.02 1tru n HIS 43 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1tru n SER 44 N -1.19 0.86 0.09 0.26 2.88 -0.76 -3.81 113.62 111.95 1tru n SER 44 Ca 0.06 0.36 0.06 0.00 -1.33 0.00 0.00 58.87 58.02 1tru n SER 44 Cb 0.06 0.27 0.33 0.00 -0.75 0.00 0.00 64.21 64.12 1tru n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1tru n LEU 45 N -2.81 0.31 0.17 2.46 4.77 -0.80 -1.62 117.00 119.48 1tru n LEU 45 Ca -0.06 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 1tru n LEU 45 Cb 0.73 -0.68 0.67 0.00 -2.33 0.00 0.00 43.42 41.80 1tru n LEU 45 CO 0.42 -0.75 1.11 0.28 -1.33 0.00 0.00 177.39 177.12 1tru h SER 46 N 0.00 0.00 0.49 -1.43 0.02 -1.76 0.66 113.55 111.52 1tru h SER 46 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1tru h SER 46 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1tru h SER 46 CO 0.00 0.00 -1.67 -0.33 -1.14 0.00 0.00 176.83 173.69 1tru h GLU 47 N 0.00 0.06 0.00 3.45 5.08 -1.60 -3.34 114.58 118.22 1tru h GLU 47 Ca 0.09 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1tru h GLU 47 Cb 0.38 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1tru h GLU 47 CO -0.00 0.69 -0.47 -0.22 -1.00 0.00 0.00 179.01 178.01 1tru h LYS 48 N 0.02 0.00 -3.46 2.33 3.64 -1.43 -3.41 116.57 114.26 1tru h LYS 48 Ca -0.27 0.00 -0.74 0.00 -1.27 0.00 0.00 60.65 58.37 1tru h LYS 48 Cb 1.99 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.49 1tru h LYS 48 CO 0.09 0.66 0.05 0.71 -2.27 0.00 0.00 179.45 178.69 1tru s TYR 49 N -2.14 3.94 -1.35 1.91 2.02 0.22 -4.86 117.35 117.09 1tru s TYR 49 Ca -0.18 -2.81 0.17 0.00 -0.37 0.00 0.00 57.07 53.88 1tru s TYR 49 Cb 0.01 -3.46 0.83 0.00 -0.40 0.00 0.00 41.96 38.94 1tru s TYR 49 CO 0.46 -0.83 1.50 -1.13 -1.57 0.00 0.00 175.55 173.98 1tru n SER 50 N 2.70 0.00 -2.24 2.29 3.41 -1.25 -2.82 113.62 115.71 1tru n SER 50 Ca 0.20 0.13 -0.26 0.00 -0.26 0.00 0.00 58.87 58.68 1tru n SER 50 Cb 0.39 -0.33 0.16 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 -1.33 4.48 -4.02 4.04 5.15 -1.26 -4.29 115.26 118.03 1tru n ASN 51 Ca 0.07 -3.63 -0.18 0.00 -0.60 0.00 0.00 54.58 50.24 1tru n ASN 51 Cb 0.15 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.39 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 -3.55 0.69 -0.34 3.44 1.01 -1.13 -4.70 120.40 115.82 1tru s VAL 52 Ca 0.58 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 1tru s VAL 52 Cb 0.48 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1tru s VAL 52 CO 0.09 0.16 0.31 -0.63 0.00 0.00 0.00 175.10 175.03 1tru s ILE 53 N -0.28 5.22 -0.17 2.22 -1.09 -1.17 -3.37 121.20 122.56 1tru s ILE 53 Ca 0.03 -0.02 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1tru s ILE 53 Cb -0.04 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1tru s ILE 53 CO -0.00 -0.04 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.27 1tru s PHE 54 N 1.91 3.01 -0.11 3.97 0.08 -1.18 -2.32 117.98 123.34 1tru s PHE 54 Ca 0.10 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1tru s PHE 54 Cb -0.17 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1tru s PHE 54 CO 0.11 -0.13 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.58 1tru s LEU 55 N 0.59 3.45 -0.36 -0.37 1.02 -1.04 -2.96 118.68 119.01 1tru s LEU 55 Ca -0.03 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.13 1tru s LEU 55 Cb -0.14 -1.80 0.08 0.00 0.02 0.00 0.00 46.19 44.34 1tru s LEU 55 CO 0.02 0.30 0.12 -0.70 0.02 0.00 0.00 176.35 176.11 1tru s GLU 56 N -0.42 2.23 -0.16 1.70 2.12 -1.16 -1.96 118.70 121.06 1tru s GLU 56 Ca 0.07 -1.54 -0.06 0.00 0.36 0.00 0.00 54.97 53.80 1tru s GLU 56 Cb -0.12 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1tru s GLU 56 CO 0.02 -0.86 0.04 0.08 -0.54 0.00 0.00 175.26 174.00 1tru s VAL 57 N 1.21 4.61 -0.33 3.70 1.01 -1.14 -3.21 120.40 126.26 1tru s VAL 57 Ca 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1tru s VAL 57 Cb -0.21 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1tru s VAL 57 CO -0.02 0.50 0.38 -0.62 0.00 0.00 0.00 175.10 175.34 1tru s ASP 58 N 0.06 6.21 0.00 3.32 2.15 -1.26 -3.44 116.67 123.71 1tru s ASP 58 Ca 0.04 -0.09 0.01 0.00 0.43 0.00 0.00 52.55 52.94 1tru s ASP 58 Cb -0.12 -2.21 0.08 0.00 -0.30 0.00 0.00 42.92 40.37 1tru s ASP 58 CO 0.01 -0.32 0.33 1.33 -0.17 0.00 0.00 175.17 176.35 1tru n VAL 59 N 5.24 0.00 -0.04 1.11 0.24 -1.18 -1.13 118.33 122.57 1tru n VAL 59 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.50 -0.52 -0.04 0.00 -1.47 0.00 0.00 33.84 32.31 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 -0.61 3.40 0.00 -1.34 9.92 -1.26 -4.42 116.55 122.24 1tru n ASP 60 Ca 0.01 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.00 -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 0.37 -2.05 -2.24 1.82 -1.83 -3.38 116.42 109.12 1tru h ASP 61 Ca -0.17 -0.85 -0.75 0.00 -0.39 0.00 0.00 57.03 54.87 1tru h ASP 61 Cb 1.28 -0.12 -0.30 0.00 0.68 0.00 0.00 39.33 40.87 1tru h ASP 61 CO -0.02 1.70 0.70 0.00 -1.61 0.00 0.00 179.24 180.00 1tru n ALA 62 N -3.02 6.05 0.17 -0.78 0.00 -0.28 -4.74 120.51 117.91 1tru n ALA 62 Ca -0.28 -4.35 0.11 0.00 0.00 0.00 0.00 53.44 48.92 1tru n ALA 62 Cb 0.94 -1.78 0.59 0.00 0.00 0.00 0.00 19.45 19.20 1tru n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1tru h GLN 63 N 3.34 0.00 -0.21 0.00 4.20 -1.75 -0.92 115.11 119.77 1tru h GLN 63 Ca 0.49 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 59.01 1tru h GLN 63 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1tru h GLN 63 CO 1.23 0.00 -0.62 0.38 -0.67 0.00 0.00 178.83 179.15 1tru h ASP 64 N 0.00 0.91 0.29 1.46 2.03 -1.94 -1.09 116.42 118.10 1tru h ASP 64 Ca 0.00 -0.58 -0.20 0.00 -0.73 0.00 0.00 57.03 55.52 1tru h ASP 64 Cb 0.08 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.31 1tru h ASP 64 CO 0.00 1.34 -0.82 0.58 -1.03 0.00 0.00 179.24 179.30 1tru h VAL 65 N 0.54 1.39 -0.05 4.15 2.07 -1.56 -2.80 116.25 119.99 1tru h VAL 65 Ca -0.02 -2.28 -0.08 0.00 0.82 0.00 0.00 66.70 65.14 1tru h VAL 65 Cb 1.24 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1tru h VAL 65 CO 0.13 0.68 -0.35 0.00 0.02 0.00 0.00 177.57 178.06 1tru h ALA 66 N 0.85 1.32 0.50 1.67 0.00 -1.42 0.93 119.26 123.12 1tru h ALA 66 Ca -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1tru h ALA 66 Cb 1.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1tru h ALA 66 CO 0.14 0.49 -0.24 0.77 0.00 0.00 0.00 179.25 180.41 1tru h SER 67 N 0.09 -0.57 0.08 0.00 0.02 -1.07 -2.45 113.55 109.64 1tru h SER 67 Ca 0.01 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1tru h SER 67 Cb 0.66 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1tru h SER 67 CO 0.05 -0.16 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.41 1tru h GLU 68 N -1.18 0.05 0.00 3.45 4.81 -1.51 0.15 114.58 120.36 1tru h GLU 68 Ca -0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1tru h GLU 68 Cb 0.53 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1tru h GLU 68 CO 0.11 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.55 1tru n ALA 69 N -2.51 1.97 -3.97 2.92 0.00 0.32 -4.86 120.51 114.37 1tru n ALA 69 Ca -0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 1tru n ALA 69 Cb 0.19 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.35 -4.10 -2.82 0.00 4.07 0.52 -4.88 120.64 112.08 1tru n GLU 70 Ca 0.08 0.48 -0.43 0.00 -0.06 0.00 0.00 57.16 57.23 1tru n GLU 70 Cb 0.17 -5.02 -0.04 0.00 -0.06 0.00 0.00 31.44 26.49 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1tru s VAL 71 N -3.58 4.45 -0.04 6.31 1.01 -1.01 -4.83 120.40 122.71 1tru s VAL 71 Ca 0.35 0.66 0.04 0.00 0.00 0.00 0.00 61.98 63.04 1tru s VAL 71 Cb -0.18 -4.46 0.07 0.00 0.00 0.00 0.00 36.38 31.81 1tru s VAL 71 CO 0.87 -0.90 1.04 0.29 0.00 0.00 0.00 175.10 176.40 1tru n LYS 72 N 7.25 2.61 -3.31 2.72 4.76 -1.26 -4.90 118.16 126.03 1tru n LYS 72 Ca 0.05 -1.75 -0.10 0.00 -2.87 0.00 0.00 58.31 53.64 1tru n LYS 72 Cb 0.48 -1.12 -0.06 0.00 -1.84 0.00 0.00 35.03 32.50 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 -1.43 -1.11 0.20 7.82 0.00 -1.26 -5.15 121.76 120.83 1tru s ALA 73 Ca 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.75 1tru s ALA 73 Cb 0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1tru s ALA 73 CO 0.01 -2.00 0.40 0.95 0.00 0.00 0.00 175.76 175.12 1tru s THR 74 N 1.96 5.19 0.52 0.00 -4.23 -1.26 -4.06 115.64 113.75 1tru s THR 74 Ca 0.14 -0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 1tru s THR 74 Cb -0.12 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 69.93 1tru s THR 74 CO -0.15 -0.16 1.01 -2.16 -0.54 0.00 0.00 174.62 172.63 1tru s PRO 75 N -3.26 3.75 0.01 3.99 0.04 -1.26 -5.01 135.00 133.26 1tru s PRO 75 Ca 0.39 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1tru s PRO 75 Cb -0.11 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1tru s PRO 75 CO 0.29 -0.45 -0.03 0.99 0.04 0.00 0.00 177.00 177.84 1tru s THR 76 N -2.39 0.16 -0.13 1.26 2.01 -0.82 -3.39 115.64 112.34 1tru s THR 76 Ca 0.62 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1tru s THR 76 Cb -0.13 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.19 1tru s THR 76 CO 0.29 -0.18 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.53 1tru s PHE 77 N -0.64 2.09 0.03 4.92 0.40 -1.13 -0.26 117.98 123.40 1tru s PHE 77 Ca -0.06 -1.10 0.05 0.00 -0.60 0.00 0.00 56.93 55.22 1tru s PHE 77 Cb -0.05 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 1tru s PHE 77 CO -0.00 -0.59 -0.09 -0.65 0.70 0.00 0.00 175.22 174.59 1tru s GLN 78 N 1.28 2.39 -0.21 0.44 -0.21 -0.30 -2.11 119.66 120.93 1tru s GLN 78 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 55.36 54.49 1tru s GLN 78 Cb -0.14 -2.41 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 1tru s GLN 78 CO -0.07 0.57 0.02 -0.06 -2.12 0.00 0.00 175.29 173.63 1tru s PHE 79 N -1.04 3.06 0.17 0.91 0.40 0.79 -0.47 117.98 121.80 1tru s PHE 79 Ca 0.18 -0.43 0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1tru s PHE 79 Cb -0.11 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1tru s PHE 79 CO 0.09 -0.26 -0.22 -0.06 0.70 0.00 0.00 175.22 175.47 1tru s PHE 80 N 1.16 2.08 -0.20 0.36 0.08 0.77 -1.41 117.98 120.82 1tru s PHE 80 Ca 0.03 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 1tru s PHE 80 Cb -0.14 -1.04 0.06 0.00 -0.57 0.00 0.00 43.02 41.33 1tru s PHE 80 CO 0.02 0.41 0.51 0.21 -0.10 0.00 0.00 175.22 176.26 1tru s LYS 81 N -2.64 0.51 -0.47 0.44 2.20 -0.51 -1.91 119.74 117.37 1tru s LYS 81 Ca 0.17 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1tru s LYS 81 Cb -0.07 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1tru s LYS 81 CO 0.08 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.56 1tru n LYS 82 N 4.06 -1.76 -0.77 4.03 5.02 -1.24 0.67 118.16 128.17 1tru n LYS 82 Ca -0.21 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1tru n LYS 82 Cb 0.56 -4.38 0.00 0.00 -0.02 0.00 0.00 35.03 31.19 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 0.33 1.20 2.88 0.72 0.00 -1.26 -4.97 105.19 104.09 1tru n GLY 83 Ca -0.04 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.01 1.12 -0.34 1.61 -0.21 0.21 -5.09 119.66 114.96 1tru s GLN 84 Ca 0.00 -0.13 -0.28 0.00 0.02 0.00 0.00 55.36 54.97 1tru s GLN 84 Cb 0.00 -1.22 -0.03 0.00 1.00 0.00 0.00 33.01 32.77 1tru s GLN 84 CO 0.00 -0.20 1.89 0.21 -2.12 0.00 0.00 175.29 175.07 1tru s LYS 85 N 1.48 3.19 -0.31 2.91 2.20 -1.26 -1.42 119.74 126.53 1tru s LYS 85 Ca -0.01 1.45 0.07 0.00 -0.36 0.00 0.00 55.97 57.12 1tru s LYS 85 Cb -0.13 -4.26 0.46 0.00 -1.51 0.00 0.00 37.83 32.39 1tru s LYS 85 CO -0.04 -2.03 1.23 1.33 -0.36 0.00 0.00 175.35 175.48 1tru n VAL 86 N 7.48 2.58 0.00 4.02 0.24 -0.50 -4.98 118.33 127.16 1tru n VAL 86 Ca 0.24 -4.16 0.00 0.00 -2.04 0.00 0.00 64.34 58.38 1tru n VAL 86 Cb 0.47 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 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 -0.72 4.00 3.59 7.63 0.00 -1.23 -4.92 105.19 113.54 1tru n GLY 87 Ca 0.45 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.76 0.44 -0.29 1.61 -1.05 -1.26 -0.15 118.70 115.25 1tru s GLU 88 Ca 0.00 0.06 -0.18 0.00 -0.15 0.00 0.00 54.97 54.70 1tru s GLU 88 Cb 0.00 0.21 0.13 0.00 -0.44 0.00 0.00 34.13 34.03 1tru s GLU 88 CO 0.00 -0.15 0.96 -0.59 0.95 0.00 0.00 175.26 176.44 1tru s PHE 89 N -1.30 -0.60 -0.12 4.83 -0.12 -0.90 -5.00 117.98 114.79 1tru s PHE 89 Ca 0.02 1.25 -0.04 0.00 -0.05 0.00 0.00 56.93 58.12 1tru s PHE 89 Cb -0.01 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 1tru s PHE 89 CO -0.02 -0.29 0.01 -1.54 -0.05 0.00 0.00 175.22 173.33 1tru s SER 90 N 1.09 5.28 0.00 1.98 1.04 -1.26 -2.82 113.70 119.01 1tru s SER 90 Ca -0.06 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1tru s SER 90 Cb -0.04 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.42 1tru s SER 90 CO -0.13 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1tru n GLY 91 N 2.67 4.19 2.18 7.32 0.00 -1.22 -4.96 105.19 115.37 1tru n GLY 91 Ca -0.18 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.49 7.07 -3.47 4.61 0.00 -1.26 -4.75 120.51 121.21 1tru n ALA 92 Ca 0.00 -2.82 -0.42 0.00 0.00 0.00 0.00 53.44 50.20 1tru n ALA 92 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 16.49 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 2.07 6.57 0.45 0.00 3.04 -1.26 -4.88 114.94 120.93 1tru s ASN 93 Ca 0.69 -3.39 0.11 0.00 0.04 0.00 0.00 52.86 50.30 1tru s ASN 93 Cb 0.24 -2.07 1.01 0.00 -1.54 0.00 0.00 41.25 38.89 1tru s ASN 93 CO -0.04 -0.31 2.08 0.07 -3.04 0.00 0.00 177.10 175.86 1tru h LYS 94 N 6.70 0.35 0.00 0.43 2.10 -2.00 -0.04 116.57 124.11 1tru h LYS 94 Ca 0.14 -0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.73 1tru h LYS 94 Cb 0.89 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1tru h LYS 94 CO 0.88 0.23 -0.19 0.93 -2.00 0.00 0.00 179.45 179.30 1tru h GLU 95 N 0.36 0.00 -0.45 0.07 4.39 -2.00 -2.72 114.58 114.23 1tru h GLU 95 Ca 0.12 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1tru h GLU 95 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1tru h GLU 95 CO -0.03 0.19 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.62 1tru h LYS 96 N 0.00 0.92 -0.99 2.33 3.64 -1.40 -2.84 116.57 118.22 1tru h LYS 96 Ca -0.00 -0.38 0.22 0.00 -1.27 0.00 0.00 60.65 59.22 1tru h LYS 96 Cb 0.51 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.20 1tru h LYS 96 CO 0.02 1.04 0.63 -0.07 -2.27 0.00 0.00 179.45 178.80 1tru h LEU 97 N 0.76 0.57 0.51 5.20 3.38 -1.46 0.17 115.31 124.45 1tru h LEU 97 Ca 0.11 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1tru h LEU 97 Cb 0.74 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1tru h LEU 97 CO 0.06 0.18 -0.25 -0.08 0.09 0.00 0.00 178.44 178.44 1tru h GLU 98 N 0.54 -0.66 -0.94 1.13 4.81 -1.60 0.26 114.58 118.13 1tru h GLU 98 Ca 0.56 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.96 1tru h GLU 98 Cb 1.18 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.64 1tru h GLU 98 CO -0.31 -0.44 0.60 0.00 -0.73 0.00 0.00 179.01 178.13 1tru h ALA 99 N -1.42 1.67 -0.02 2.92 0.00 -1.40 -0.17 119.26 120.84 1tru h ALA 99 Ca -0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1tru h ALA 99 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1tru h ALA 99 CO 0.12 0.09 -0.03 1.15 0.00 0.00 0.00 179.25 180.58 1tru h THR 100 N 0.85 1.44 -0.91 0.00 2.02 -0.66 -2.79 112.91 112.86 1tru h THR 100 Ca 0.47 -1.34 0.07 0.00 0.77 0.00 0.00 66.41 66.38 1tru h THR 100 Cb 0.58 2.30 -0.07 0.00 -1.74 0.00 0.00 68.15 69.23 1tru h THR 100 CO -0.23 0.35 0.57 0.40 0.37 0.00 0.00 175.52 176.99 1tru h ILE 101 N -0.49 1.04 0.00 3.11 2.04 0.08 0.45 117.51 123.75 1tru h ILE 101 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1tru h ILE 101 Cb 0.59 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1tru h ILE 101 CO 0.01 0.19 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1tru n ASN 102 N -4.59 0.00 -0.05 1.72 5.15 -0.13 -2.31 115.26 115.05 1tru n ASN 102 Ca 0.14 -0.63 -0.01 0.00 -0.60 0.00 0.00 54.58 53.48 1tru n ASN 102 Cb 0.20 -0.02 -0.01 0.00 -0.53 0.00 0.00 39.78 39.41 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 -0.72 1.20 4.81 0.21 -3.35 114.58 116.72 1tru h GLU 103 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1tru h GLU 103 Cb 0.02 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 1tru h GLU 103 CO 0.00 0.06 0.19 1.28 -0.73 0.00 0.00 179.01 179.80 1tru n LEU 104 N -4.77 5.81 0.00 1.64 4.77 -1.21 -5.12 117.00 118.12 1tru n LEU 104 Ca -0.01 -3.00 0.06 0.00 -0.03 0.00 0.00 56.01 53.03 1tru n LEU 104 Cb 0.04 -0.72 0.33 0.00 -2.33 0.00 0.00 43.42 40.73 1tru n LEU 104 CO 0.02 0.73 0.55 0.55 -1.33 0.00 0.00 177.39 177.91