#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 -0.22 1.12 1.01 -1.26 -3.45 120.40 117.73 1tru s VAL 2 Ca 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 1tru s VAL 2 Cb 0.00 -1.63 0.11 0.00 0.00 0.00 0.00 36.38 34.86 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 -3.93 0.32 -0.10 2.72 2.20 -0.98 -4.98 119.74 114.98 1tru s LYS 3 Ca 0.12 0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 1tru s LYS 3 Cb 0.06 -0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.18 1tru s LYS 3 CO -0.06 -0.48 0.99 -1.14 -0.36 0.00 0.00 175.35 174.30 1tru s GLN 4 N 2.55 4.42 -0.37 4.03 0.74 -1.26 -2.62 119.66 127.15 1tru s GLN 4 Ca 0.07 1.35 -0.22 0.00 0.05 0.00 0.00 55.36 56.61 1tru s GLN 4 Cb -0.14 -3.54 0.01 0.00 1.10 0.00 0.00 33.01 30.44 1tru s GLN 4 CO -0.14 -0.30 0.72 0.42 -0.55 0.00 0.00 175.29 175.44 1tru s ILE 5 N 1.95 4.79 -0.24 -2.34 -1.09 -1.17 -4.90 121.20 118.21 1tru s ILE 5 Ca 0.47 0.67 0.23 0.00 -2.23 0.00 0.00 60.65 59.79 1tru s ILE 5 Cb -0.18 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.52 1tru s ILE 5 CO 0.18 -0.43 1.03 -0.62 -1.23 0.00 0.00 174.94 173.88 1tru n GLU 6 N 6.29 0.60 -3.56 2.79 4.71 -1.26 -4.55 120.64 125.66 1tru n GLU 6 Ca 0.01 0.12 -0.11 0.00 -0.01 0.00 0.00 57.16 57.17 1tru n GLU 6 Cb 0.48 -1.82 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1tru s SER 7 N -5.32 -0.46 0.61 1.62 1.04 -1.26 -4.38 113.70 105.54 1tru s SER 7 Ca -0.01 -0.20 0.29 0.00 0.48 0.00 0.00 55.95 56.52 1tru s SER 7 Cb 0.10 0.63 1.55 0.00 0.10 0.00 0.00 66.02 68.40 1tru s SER 7 CO 0.79 -1.07 1.95 0.50 0.98 0.00 0.00 173.24 176.39 1tru h LYS 8 N 2.02 0.00 0.75 4.02 3.64 -1.93 -1.81 116.57 123.26 1tru h LYS 8 Ca -0.30 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1tru h LYS 8 Cb 1.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.34 0.00 -0.38 1.15 -2.27 0.00 0.00 179.45 178.30 1tru h THR 9 N 0.00 0.23 0.00 1.00 2.02 -2.01 -2.00 112.91 112.15 1tru h THR 9 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1tru h THR 9 Cb 0.91 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1tru h THR 9 CO -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.84 1tru h ALA 10 N -0.78 1.23 0.31 6.16 0.00 -1.74 -2.87 119.26 121.56 1tru h ALA 10 Ca -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1tru h ALA 10 CO 0.16 0.06 -0.15 0.35 0.00 0.00 0.00 179.25 179.67 1tru h PHE 11 N 0.00 -0.38 0.54 0.00 3.57 -1.06 0.39 116.94 120.00 1tru h PHE 11 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1tru h PHE 11 Cb 0.19 0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.06 1tru h PHE 11 CO 0.00 -0.20 -0.26 1.96 -2.23 0.00 0.00 178.31 177.59 1tru h GLN 12 N -0.47 -0.69 -0.08 1.11 4.20 -1.28 -2.27 115.11 115.62 1tru h GLN 12 Ca -0.04 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1tru h GLN 12 Cb 0.36 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1tru h GLN 12 CO 0.07 -0.40 0.07 0.93 -0.67 0.00 0.00 178.83 178.83 1tru h GLU 13 N -0.89 0.00 -0.35 1.46 3.07 -1.55 -1.61 114.58 114.70 1tru h GLU 13 Ca -0.07 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.63 1tru h GLU 13 Cb 0.62 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1tru h GLU 13 CO 0.12 0.00 -0.41 0.00 -1.40 0.00 0.00 179.01 177.33 1tru h ALA 14 N 1.93 0.52 -0.28 3.43 0.00 0.12 -1.12 119.26 123.87 1tru h ALA 14 Ca 0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1tru h ALA 14 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1tru h ALA 14 CO -0.00 0.64 -0.26 -0.07 0.00 0.00 0.00 179.25 179.56 1tru h LEU 15 N 0.70 0.72 -1.23 0.00 3.38 -0.74 -2.51 115.31 115.63 1tru h LEU 15 Ca 0.05 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1tru h LEU 15 Cb 1.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1tru h LEU 15 CO 0.10 1.03 -0.38 -0.78 0.09 0.00 0.00 178.44 178.50 1tru h ASP 16 N 0.41 0.01 0.30 -0.43 1.82 -1.43 -2.53 116.42 114.57 1tru h ASP 16 Ca 0.05 -0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.56 1tru h ASP 16 Cb 0.82 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 1tru h ASP 16 CO 0.07 0.39 -0.48 0.00 -1.61 0.00 0.00 179.24 177.60 1tru h ALA 17 N 1.61 1.02 -0.50 -0.78 0.00 -1.03 -2.86 119.26 116.73 1tru h ALA 17 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tru h ALA 17 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1tru h ALA 17 CO 0.05 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.13 1tru h ALA 18 N 1.32 1.39 0.00 0.00 0.00 -1.00 -3.48 119.26 117.50 1tru h ALA 18 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1tru h ALA 18 CO 0.07 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1tru n GLY 19 N -1.08 1.97 0.49 0.00 0.00 -1.08 -3.19 105.19 102.29 1tru n GLY 19 Ca 0.04 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 8.29 2.62 -4.83 1.61 2.03 -1.26 -3.70 116.55 121.31 1tru n ASP 20 Ca 0.00 -1.93 -0.31 0.00 0.52 0.00 0.00 54.79 53.07 1tru n ASP 20 Cb 0.00 -0.16 0.03 0.00 -0.72 0.00 0.00 41.12 40.26 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1tru s LYS 21 N -0.97 3.21 0.85 -0.67 1.02 -1.19 -4.83 119.74 117.16 1tru s LYS 21 Ca 0.18 0.98 -0.11 0.00 0.02 0.00 0.00 55.97 57.03 1tru s LYS 21 Cb 0.09 -2.03 0.11 0.00 -0.52 0.00 0.00 37.83 35.49 1tru s LYS 21 CO 0.12 -0.89 1.15 -1.17 -0.92 0.00 0.00 175.35 173.65 1tru s LEU 22 N -5.14 2.98 -0.32 3.17 0.20 -1.26 -4.62 118.68 113.68 1tru s LEU 22 Ca 0.59 2.17 0.01 0.00 0.69 0.00 0.00 54.13 57.59 1tru s LEU 22 Cb -0.14 -4.56 0.15 0.00 -0.43 0.00 0.00 46.19 41.20 1tru s LEU 22 CO 0.49 -2.76 0.34 -0.69 -0.29 0.00 0.00 176.35 173.43 1tru s VAL 23 N -2.55 -0.40 -0.29 1.68 1.01 -0.88 -3.00 120.40 115.97 1tru s VAL 23 Ca 0.67 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1tru s VAL 23 Cb -0.23 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1tru s VAL 23 CO 0.55 -0.49 0.24 -0.69 0.00 0.00 0.00 175.10 174.71 1tru s VAL 24 N 2.06 5.28 -0.07 2.92 1.01 -0.95 0.03 120.40 130.69 1tru s VAL 24 Ca 0.12 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1tru s VAL 24 Cb -0.14 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1tru s VAL 24 CO -0.23 0.18 0.31 -0.69 0.00 0.00 0.00 175.10 174.68 1tru s VAL 25 N 1.82 5.22 -0.29 2.92 1.01 0.60 -2.52 120.40 129.17 1tru s VAL 25 Ca 0.08 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 1tru s VAL 25 Cb -0.16 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1tru s VAL 25 CO 0.11 0.55 0.03 -0.62 0.00 0.00 0.00 175.10 175.17 1tru s ASP 26 N -0.77 4.87 -0.53 3.32 2.15 -0.62 -1.24 116.67 123.85 1tru s ASP 26 Ca 0.20 -0.88 -0.17 0.00 0.43 0.00 0.00 52.55 52.13 1tru s ASP 26 Cb -0.15 -1.79 0.10 0.00 -0.30 0.00 0.00 42.92 40.79 1tru s ASP 26 CO 0.09 -0.20 0.51 -0.36 -0.17 0.00 0.00 175.17 175.05 1tru s PHE 27 N 1.40 3.19 0.20 -5.34 0.08 0.41 -2.77 117.98 115.15 1tru s PHE 27 Ca 0.00 -1.08 -0.05 0.00 0.12 0.00 0.00 56.93 55.93 1tru s PHE 27 Cb -0.18 -3.64 -0.03 0.00 -0.57 0.00 0.00 43.02 38.60 1tru s PHE 27 CO -0.00 -1.00 0.22 -1.54 -0.10 0.00 0.00 175.22 172.79 1tru s SER 28 N 3.26 0.10 -0.53 1.36 1.04 -1.21 -1.68 113.70 116.04 1tru s SER 28 Ca 0.06 -1.20 -0.18 0.00 0.48 0.00 0.00 55.95 55.11 1tru s SER 28 Cb -0.27 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.37 1tru s SER 28 CO 0.05 -0.90 0.56 0.00 0.98 0.00 0.00 173.24 173.93 1tru s ALA 29 N -4.09 3.49 0.54 5.32 0.00 -1.26 -3.11 121.76 122.64 1tru s ALA 29 Ca 0.31 -2.12 0.23 0.00 0.00 0.00 0.00 51.96 50.38 1tru s ALA 29 Cb 0.05 -3.31 1.41 0.00 0.00 0.00 0.00 23.12 21.27 1tru s ALA 29 CO 0.09 -2.03 2.07 0.00 0.00 0.00 0.00 175.76 175.89 1tru h THR 30 N 5.86 0.77 0.00 0.00 1.03 -1.95 0.13 112.91 118.74 1tru h THR 30 Ca -0.29 0.00 -0.16 0.00 -0.01 0.00 0.00 66.41 65.96 1tru h THR 30 Cb 1.10 0.84 -0.02 0.00 -1.07 0.00 0.00 68.15 68.99 1tru h THR 30 CO 0.99 0.00 -0.75 4.11 -0.01 0.00 0.00 175.52 179.86 1tru h TRP 31 N 0.00 0.00 -3.81 0.00 5.08 -2.02 -3.45 115.95 111.75 1tru h TRP 31 Ca 0.14 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.64 1tru h TRP 31 Cb 0.59 0.00 0.18 0.00 -3.00 0.00 0.00 29.16 26.93 1tru h TRP 31 CO 0.00 0.75 0.16 0.00 -1.28 0.00 0.00 178.44 178.07 1tru n GLY 33 N -0.32 -0.37 0.34 0.00 0.00 -1.26 -3.98 105.19 99.60 1tru n GLY 33 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.55 132.00 131.21 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 -0.11 0.00 -0.21 0.00 0.00 178.00 177.68 1tru n LYS 36 N -4.67 0.09 0.16 0.00 4.81 -0.62 -2.02 118.16 115.90 1tru n LYS 36 Ca -0.07 0.25 0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1tru n LYS 36 Cb 0.28 -1.50 0.56 0.00 0.02 0.00 0.00 35.03 34.39 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 -0.93 1.64 4.05 -1.18 -2.25 114.93 116.26 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 0.11 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 30.69 1tru h MET 37 CO 0.00 0.00 0.46 -0.89 0.23 0.00 0.00 176.91 176.71 1tru n ILE 38 N -2.35 2.82 0.05 1.77 5.41 -0.86 -4.37 119.36 121.83 1tru n ILE 38 Ca 0.01 -1.58 0.02 0.00 1.00 0.00 0.00 62.75 62.20 1tru n ILE 38 Cb 0.18 -0.50 -0.06 0.00 -0.71 0.00 0.00 39.64 38.55 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 1.37 0.00 0.00 0.38 2.10 -1.64 -3.25 116.57 115.53 1tru h LYS 39 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1tru h LYS 39 Cb 2.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.80 1tru h LYS 39 CO 0.86 0.25 0.00 -0.35 -2.00 0.00 0.00 179.45 178.21 1tru n PRO 40 N -2.87 0.68 0.00 0.07 -0.04 -1.26 -2.72 135.00 128.86 1tru n PRO 40 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 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 0.39 0.54 3.72 -1.25 -4.38 117.46 115.72 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 -1.69 -1.97 116.94 117.31 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 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.04 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 -4.67 0.00 0.08 0.41 -0.00 -1.10 -1.89 115.22 108.05 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 0.39 -0.28 -0.03 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 0.00 0.26 0.87 -1.18 -3.29 113.55 110.21 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 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1tru h SER 44 CO 0.00 0.42 0.00 0.18 -0.53 0.00 0.00 176.83 176.90 1tru n LEU 45 N -2.92 0.07 -0.16 2.23 4.77 -0.79 -1.81 117.00 118.39 1tru n LEU 45 Ca -0.05 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.53 1tru n LEU 45 Cb 0.75 -0.54 0.37 0.00 -2.33 0.00 0.00 43.42 41.67 1tru n LEU 45 CO 0.42 -0.56 1.21 0.28 -1.33 0.00 0.00 177.39 177.41 1tru h SER 46 N 0.00 0.63 0.90 -1.43 0.02 -1.76 0.56 113.55 112.46 1tru h SER 46 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1tru h SER 46 Cb 0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1tru h SER 46 CO 0.00 0.41 -1.18 -0.33 -1.14 0.00 0.00 176.83 174.59 1tru h GLU 47 N 0.71 0.00 0.00 3.45 5.08 -1.65 -3.34 114.58 118.83 1tru h GLU 47 Ca 0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1tru h GLU 47 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1tru h GLU 47 CO -0.10 0.25 -0.36 -0.22 -1.00 0.00 0.00 179.01 177.59 1tru h LYS 48 N 0.00 0.00 -3.49 2.33 3.64 -1.35 -3.42 116.57 114.28 1tru h LYS 48 Ca -0.11 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.55 1tru h LYS 48 Cb 1.43 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.92 1tru h LYS 48 CO 0.04 0.30 -0.12 0.71 -2.27 0.00 0.00 179.45 178.11 1tru s TYR 49 N -2.00 3.73 -1.40 1.91 2.02 0.19 -4.88 117.35 116.92 1tru s TYR 49 Ca -0.12 -2.76 0.17 0.00 -0.37 0.00 0.00 57.07 53.99 1tru s TYR 49 Cb 0.01 -3.35 0.83 0.00 -0.40 0.00 0.00 41.96 39.04 1tru s TYR 49 CO 0.27 -0.82 1.48 -1.13 -1.57 0.00 0.00 175.55 173.78 1tru n SER 50 N 2.97 0.00 -2.20 2.29 3.41 -1.25 -2.73 113.62 116.11 1tru n SER 50 Ca 0.16 0.08 -0.24 0.00 -0.26 0.00 0.00 58.87 58.61 1tru n SER 50 Cb 0.39 -0.30 0.16 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.30 4.12 -4.05 4.04 5.15 -1.26 -4.58 115.26 117.38 1tru n ASN 51 Ca 0.08 -3.58 -0.19 0.00 -0.60 0.00 0.00 54.58 50.29 1tru n ASN 51 Cb 0.14 -0.84 -0.14 0.00 -0.53 0.00 0.00 39.78 38.40 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 -3.34 0.80 -0.32 3.44 1.01 -1.11 -4.71 120.40 116.18 1tru s VAL 52 Ca 0.56 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 1tru s VAL 52 Cb 0.47 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1tru s VAL 52 CO 0.09 0.14 0.27 -0.63 0.00 0.00 0.00 175.10 174.97 1tru s ILE 53 N -0.41 5.25 -0.16 2.22 -1.09 -1.16 -4.34 121.20 121.51 1tru s ILE 53 Ca 0.02 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1tru s ILE 53 Cb -0.05 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1tru s ILE 53 CO -0.00 0.05 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.33 1tru s PHE 54 N 1.84 2.95 -0.12 3.97 0.08 -1.22 -2.23 117.98 123.25 1tru s PHE 54 Ca 0.09 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.63 1tru s PHE 54 Cb -0.17 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1tru s PHE 54 CO 0.11 -0.16 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.54 1tru s LEU 55 N 0.50 3.36 -0.36 -0.37 1.02 -1.05 -2.31 118.68 119.48 1tru s LEU 55 Ca -0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.06 1tru s LEU 55 Cb -0.15 -1.78 0.07 0.00 0.02 0.00 0.00 46.19 44.35 1tru s LEU 55 CO 0.03 0.28 0.11 -0.70 0.02 0.00 0.00 176.35 176.09 1tru s GLU 56 N -0.28 2.28 -0.15 1.70 2.12 -1.08 -1.58 118.70 121.71 1tru s GLU 56 Ca 0.05 -1.49 -0.05 0.00 0.36 0.00 0.00 54.97 53.83 1tru s GLU 56 Cb -0.12 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1tru s GLU 56 CO 0.02 -0.83 0.03 0.08 -0.54 0.00 0.00 175.26 174.03 1tru s VAL 57 N 1.23 4.53 -0.32 3.70 1.01 -1.11 -3.01 120.40 126.42 1tru s VAL 57 Ca 0.01 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1tru s VAL 57 Cb -0.21 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1tru s VAL 57 CO -0.02 0.51 0.34 -0.62 0.00 0.00 0.00 175.10 175.31 1tru s ASP 58 N 0.02 6.17 0.00 3.32 2.15 -1.26 -3.36 116.67 123.72 1tru s ASP 58 Ca 0.04 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 52.92 1tru s ASP 58 Cb -0.13 -2.19 0.07 0.00 -0.30 0.00 0.00 42.92 40.37 1tru s ASP 58 CO 0.01 -0.27 0.32 1.33 -0.17 0.00 0.00 175.17 176.39 1tru n VAL 59 N 5.19 0.00 -0.03 1.11 0.24 -1.18 -1.16 118.33 122.50 1tru n VAL 59 Ca -0.10 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.50 -0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 32.35 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 -0.59 3.50 0.02 -1.34 9.92 -1.26 -4.43 116.55 122.38 1tru n ASP 60 Ca 0.01 -0.03 -0.22 0.00 -0.53 0.00 0.00 54.79 54.02 1tru n ASP 60 Cb 0.00 0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 40.36 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 -2.01 -2.24 3.58 -1.82 -3.37 116.42 111.00 1tru h ASP 61 Ca -0.15 -0.90 -0.74 0.00 0.42 0.00 0.00 57.03 55.66 1tru h ASP 61 Cb 1.25 -0.15 -0.31 0.00 1.72 0.00 0.00 39.33 41.85 1tru h ASP 61 CO -0.02 1.76 0.62 0.00 -2.88 0.00 0.00 179.24 178.72 1tru n ALA 62 N -2.97 6.02 0.12 -0.78 0.00 -0.31 -4.74 120.51 117.85 1tru n ALA 62 Ca -0.28 -4.34 0.08 0.00 0.00 0.00 0.00 53.44 48.90 1tru n ALA 62 Cb 1.00 -1.71 0.41 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.38 0.10 -0.04 0.00 1.13 -1.26 -1.31 117.38 115.62 1tru n GLN 63 Ca 0.48 0.59 -0.15 0.00 -1.94 0.00 0.00 57.00 55.97 1tru n GLN 63 Cb 0.32 -1.87 -0.08 0.00 0.11 0.00 0.00 30.24 28.72 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1tru h ASP 64 N 0.00 0.62 0.34 1.08 2.03 -1.94 -0.69 116.42 117.88 1tru h ASP 64 Ca 0.00 -0.61 -0.19 0.00 -0.73 0.00 0.00 57.03 55.50 1tru h ASP 64 Cb 0.10 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.41 1tru h ASP 64 CO 0.00 1.12 -0.80 0.58 -1.03 0.00 0.00 179.24 179.12 1tru h VAL 65 N 0.16 1.41 -0.48 4.15 2.07 -1.58 -1.78 116.25 120.21 1tru h VAL 65 Ca -0.02 -2.29 -0.11 0.00 0.82 0.00 0.00 66.70 65.10 1tru h VAL 65 Cb 1.08 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1tru h VAL 65 CO 0.10 0.68 -0.14 0.00 0.02 0.00 0.00 177.57 178.23 1tru h ALA 66 N 0.92 0.66 -0.04 1.67 0.00 -1.44 0.87 119.26 121.89 1tru h ALA 66 Ca -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 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 0.13 0.58 -0.04 0.77 0.00 0.00 0.00 179.25 180.70 1tru h SER 67 N 0.78 0.10 -0.54 0.00 0.02 -1.10 -2.48 113.55 110.34 1tru h SER 67 Ca 0.12 -0.49 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1tru h SER 67 Cb 0.70 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1tru h SER 67 CO 0.05 0.57 0.23 -0.08 -1.14 0.00 0.00 176.83 176.46 1tru h GLU 68 N -0.36 0.84 0.00 3.45 4.57 -1.31 -0.11 114.58 121.65 1tru h GLU 68 Ca 0.01 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1tru h GLU 68 Cb 0.54 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1tru h GLU 68 CO 0.01 0.68 0.00 0.00 -1.18 0.00 0.00 179.01 178.52 1tru n ALA 69 N -2.45 2.19 -2.34 2.92 0.00 0.30 -4.84 120.51 116.28 1tru n ALA 69 Ca 0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1tru n ALA 69 Cb 0.16 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.19 -2.10 -2.78 0.00 -0.58 -0.06 -4.87 120.64 109.06 1tru n GLU 70 Ca 0.12 0.64 -0.43 0.00 -0.42 0.00 0.00 57.16 57.08 1tru n GLU 70 Cb 0.14 -5.22 -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 -2.60 4.27 -0.24 2.62 1.01 -1.03 -4.84 120.40 119.60 1tru s VAL 71 Ca 0.00 0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.38 1tru s VAL 71 Cb 0.00 -4.62 0.45 0.00 0.00 0.00 0.00 36.38 32.21 1tru s VAL 71 CO 0.00 -1.25 1.32 0.29 0.00 0.00 0.00 175.10 175.46 1tru n LYS 72 N 7.79 1.71 -3.31 2.72 4.76 -1.26 -4.86 118.16 125.70 1tru n LYS 72 Ca 0.02 -3.20 -0.11 0.00 -2.87 0.00 0.00 58.31 52.15 1tru n LYS 72 Cb 0.48 -1.70 -0.06 0.00 -1.84 0.00 0.00 35.03 31.91 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 -3.21 -1.04 0.23 7.82 0.00 -1.26 -5.15 121.76 119.15 1tru s ALA 73 Ca 0.40 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1tru s ALA 73 Cb 0.38 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 1tru s ALA 73 CO -0.03 -2.15 0.43 0.95 0.00 0.00 0.00 175.76 174.96 1tru s THR 74 N 1.59 5.16 0.44 0.00 -4.23 -1.26 -4.05 115.64 113.29 1tru s THR 74 Ca 0.16 -0.27 -0.21 0.00 -1.18 0.00 0.00 61.69 60.20 1tru s THR 74 Cb -0.12 -3.74 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 1tru s THR 74 CO -0.05 -0.22 0.99 -2.16 -0.54 0.00 0.00 174.62 172.64 1tru s PRO 75 N -3.40 4.09 -0.02 3.99 0.04 -1.26 -5.03 135.00 133.41 1tru s PRO 75 Ca 0.40 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 1tru s PRO 75 Cb -0.11 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.26 1tru s PRO 75 CO 0.29 -0.16 0.03 0.99 0.04 0.00 0.00 177.00 178.19 1tru s THR 76 N -2.05 -0.04 -0.22 1.26 2.01 -0.68 -3.47 115.64 112.45 1tru s THR 76 Ca 0.63 0.24 -0.05 0.00 0.31 0.00 0.00 61.69 62.82 1tru s THR 76 Cb -0.13 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 1tru s THR 76 CO 0.17 0.11 0.01 -0.36 -0.69 0.00 0.00 174.62 173.86 1tru s PHE 77 N 1.25 3.04 0.06 4.92 0.08 -1.17 -0.45 117.98 125.71 1tru s PHE 77 Ca -0.07 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.51 1tru s PHE 77 Cb -0.13 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 1tru s PHE 77 CO -0.03 -0.32 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.03 1tru s GLN 78 N 1.24 2.29 -0.16 0.44 -0.21 -0.38 -2.39 119.66 120.49 1tru s GLN 78 Ca 0.04 -0.91 -0.05 0.00 0.02 0.00 0.00 55.36 54.46 1tru s GLN 78 Cb -0.15 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 1tru s GLN 78 CO 0.01 0.54 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.66 1tru s PHE 79 N -1.11 3.10 0.13 0.91 0.40 0.57 -0.29 117.98 121.69 1tru s PHE 79 Ca 0.19 -0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 1tru s PHE 79 Cb -0.11 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1tru s PHE 79 CO 0.11 0.06 -0.15 -0.06 0.70 0.00 0.00 175.22 175.88 1tru s PHE 80 N 0.28 1.49 -0.21 0.36 0.40 0.10 -1.79 117.98 118.61 1tru s PHE 80 Ca -0.01 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 55.66 1tru s PHE 80 Cb -0.13 -0.77 0.06 0.00 0.51 0.00 0.00 43.02 42.69 1tru s PHE 80 CO 0.02 0.18 0.52 0.21 0.70 0.00 0.00 175.22 176.85 1tru s LYS 81 N -2.64 0.54 0.00 0.44 2.20 -0.55 -2.07 119.74 117.66 1tru s LYS 81 Ca 0.10 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1tru s LYS 81 Cb -0.05 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1tru s LYS 81 CO 0.04 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.52 1tru n LYS 82 N 4.00 -1.88 -0.38 4.03 5.02 -1.24 0.63 118.16 128.34 1tru n LYS 82 Ca -0.20 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1tru n LYS 82 Cb 0.57 -3.98 0.00 0.00 -0.02 0.00 0.00 35.03 31.59 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 0.53 1.49 2.90 0.72 0.00 -1.26 -4.96 105.19 104.60 1tru n GLY 83 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.37 1.14 -0.40 1.61 -0.21 0.20 -5.08 119.66 115.55 1tru s GLN 84 Ca 0.00 -0.16 -0.28 0.00 0.02 0.00 0.00 55.36 54.94 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 -0.16 1.90 0.21 -2.12 0.00 0.00 175.29 175.12 1tru s LYS 85 N 1.31 3.05 -0.39 2.91 2.20 -1.26 -1.48 119.74 126.07 1tru s LYS 85 Ca -0.04 1.28 0.05 0.00 -0.36 0.00 0.00 55.97 56.90 1tru s LYS 85 Cb -0.14 -4.29 0.45 0.00 -1.51 0.00 0.00 37.83 32.35 1tru s LYS 85 CO -0.03 -2.20 1.40 1.33 -0.36 0.00 0.00 175.35 175.49 1tru n VAL 86 N 7.44 2.81 0.00 4.02 0.24 -0.74 -4.98 118.33 127.12 1tru n VAL 86 Ca 0.24 -3.94 0.00 0.00 -2.04 0.00 0.00 64.34 58.60 1tru n VAL 86 Cb 0.49 -1.15 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 -0.75 3.95 3.62 7.63 0.00 -1.25 -4.92 105.19 113.48 1tru n GLY 87 Ca 0.49 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.47 0.42 -0.29 1.61 -6.30 -1.26 -0.32 118.70 110.09 1tru s GLU 88 Ca 0.00 0.29 -0.17 0.00 -2.50 0.00 0.00 54.97 52.59 1tru s GLU 88 Cb 0.00 0.20 0.13 0.00 0.00 0.00 0.00 34.13 34.46 1tru s GLU 88 CO 0.00 -0.09 0.92 -0.59 0.02 0.00 0.00 175.26 175.52 1tru s PHE 89 N -0.43 -0.66 -0.10 5.30 -0.12 -1.01 -5.01 117.98 115.96 1tru s PHE 89 Ca 0.03 1.35 -0.04 0.00 -0.05 0.00 0.00 56.93 58.22 1tru s PHE 89 Cb -0.03 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1tru s PHE 89 CO -0.05 -0.33 0.04 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 1.30 5.58 0.00 1.98 1.04 -1.26 -3.06 113.70 119.28 1tru s SER 90 Ca -0.08 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1tru s SER 90 Cb -0.04 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1tru s SER 90 CO -0.15 0.37 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1tru n GLY 91 N 2.19 4.09 2.07 7.32 0.00 -1.23 -4.96 105.19 114.68 1tru n GLY 91 Ca -0.19 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.39 6.59 -3.50 4.61 0.00 -1.26 -4.71 120.51 120.85 1tru n ALA 92 Ca 0.00 -2.18 -0.40 0.00 0.00 0.00 0.00 53.44 50.86 1tru n ALA 92 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.87 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 2.74 4.81 0.18 0.00 4.05 -1.26 -4.87 115.26 120.91 1tru n ASN 93 Ca 0.50 -3.10 0.08 0.00 0.45 0.00 0.00 54.58 52.51 1tru n ASN 93 Cb 0.76 -1.20 0.59 0.00 1.23 0.00 0.00 39.78 41.16 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 6.25 0.14 0.00 1.20 -0.00 -1.99 0.79 116.57 122.96 1tru h LYS 94 Ca 0.17 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.65 60.79 1tru h LYS 94 Cb 0.83 -0.03 -0.00 0.00 -0.00 0.00 0.00 32.23 33.03 1tru h LYS 94 CO 0.93 0.09 -0.13 0.93 -0.00 0.00 0.00 179.45 181.28 1tru h GLU 95 N 0.14 0.00 -0.45 0.07 4.39 -1.99 -2.46 114.58 114.28 1tru h GLU 95 Ca 0.05 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 1tru h GLU 95 Cb 0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1tru h GLU 95 CO -0.01 0.13 -0.24 -0.22 -1.16 0.00 0.00 179.01 177.51 1tru h LYS 96 N 0.00 0.96 -0.92 2.33 3.64 -1.24 -2.68 116.57 118.65 1tru h LYS 96 Ca -0.00 -0.43 0.26 0.00 -1.27 0.00 0.00 60.65 59.21 1tru h LYS 96 Cb 0.41 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1tru h LYS 96 CO 0.02 1.10 0.65 -0.07 -2.27 0.00 0.00 179.45 178.88 1tru h LEU 97 N 0.80 0.08 0.02 5.20 3.38 -1.44 0.15 115.31 123.50 1tru h LEU 97 Ca 0.10 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1tru h LEU 97 Cb 0.82 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1tru h LEU 97 CO 0.07 0.03 -0.01 -0.08 0.09 0.00 0.00 178.44 178.54 1tru h GLU 98 N 0.08 -0.02 -0.67 1.13 4.81 -1.57 0.25 114.58 118.59 1tru h GLU 98 Ca 0.45 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.82 1tru h GLU 98 Cb 1.66 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.00 1tru h GLU 98 CO -0.05 -0.01 0.45 0.00 -0.73 0.00 0.00 179.01 178.67 1tru h ALA 99 N -1.98 2.20 0.02 2.92 0.00 -1.54 -1.13 119.26 119.75 1tru h ALA 99 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tru h ALA 99 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1tru h ALA 99 CO 0.00 -0.37 -0.01 1.15 0.00 0.00 0.00 179.25 180.02 1tru h THR 100 N 0.31 1.39 -0.98 0.00 2.02 -0.71 -2.57 112.91 112.36 1tru h THR 100 Ca 0.32 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 66.29 1tru h THR 100 Cb 0.83 2.24 -0.07 0.00 -1.74 0.00 0.00 68.15 69.42 1tru h THR 100 CO -0.08 0.33 0.63 0.40 0.37 0.00 0.00 175.52 177.17 1tru h ILE 101 N -0.58 1.07 0.00 3.11 2.04 0.22 0.48 117.51 123.85 1tru h ILE 101 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1tru h ILE 101 Cb 0.55 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1tru h ILE 101 CO 0.00 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.52 0.00 -0.06 1.72 5.15 -0.49 -2.01 115.26 115.03 1tru n ASN 102 Ca 0.15 -0.30 -0.08 0.00 -0.60 0.00 0.00 54.58 53.76 1tru n ASN 102 Cb 0.19 -0.16 -0.07 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.61 1.20 4.57 0.40 -3.35 114.58 116.79 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 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1tru h GLU 103 CO 0.00 0.51 0.00 1.28 -1.18 0.00 0.00 179.01 179.62 1tru n LEU 104 N -4.68 5.41 0.00 1.64 4.77 -1.18 -5.12 117.00 117.85 1tru n LEU 104 Ca -0.06 -2.74 0.06 0.00 -0.03 0.00 0.00 56.01 53.23 1tru n LEU 104 Cb 0.27 -0.66 0.33 0.00 -2.33 0.00 0.00 43.42 41.03 1tru n LEU 104 CO 0.17 0.65 0.55 0.55 -1.33 0.00 0.00 177.39 177.98