#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hdg s LEU 9 N 0.00 3.94 -0.07 0.00 2.96 -1.26 -5.02 118.68 119.23 3hdg s LEU 9 Ca 0.00 0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 53.69 3hdg s LEU 9 Cb 0.00 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 3hdg s LEU 9 CO 0.00 -1.15 0.83 -0.54 -1.32 0.00 0.00 176.35 174.17 3hdg s LYS 10 N 3.98 4.44 -0.05 1.98 1.02 -1.26 -4.50 119.74 125.34 3hdg s LYS 10 Ca 0.37 1.09 0.06 0.00 0.02 0.00 0.00 55.97 57.51 3hdg s LYS 10 Cb -0.10 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 3hdg s LYS 10 CO 0.25 -0.08 -0.24 0.42 -0.92 0.00 0.00 175.35 174.78 3hdg s ILE 11 N 1.25 1.98 -0.15 2.17 1.01 -0.06 -1.49 121.20 125.90 3hdg s ILE 11 Ca 0.42 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3hdg s ILE 11 Cb -0.18 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3hdg s ILE 11 CO 0.20 0.55 -0.18 -0.22 0.00 0.00 0.00 174.94 175.29 3hdg s LEU 12 N -0.15 2.34 -0.19 2.97 2.96 0.05 -0.23 118.68 126.43 3hdg s LEU 12 Ca -0.03 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 3hdg s LEU 12 Cb -0.13 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 3hdg s LEU 12 CO 0.03 0.08 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.50 3hdg s ILE 13 N 0.83 3.87 -0.25 6.68 1.01 0.88 -0.06 121.20 134.17 3hdg s ILE 13 Ca -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3hdg s ILE 13 Cb -0.15 -2.74 0.06 0.00 0.01 0.00 0.00 42.46 39.64 3hdg s ILE 13 CO -0.01 0.44 -0.05 -0.69 0.00 0.00 0.00 174.94 174.63 3hdg s VAL 14 N 0.87 1.67 -0.19 2.92 1.01 0.99 1.00 120.40 128.67 3hdg s VAL 14 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 3hdg s VAL 14 Cb -0.14 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.37 3hdg s VAL 14 CO 0.02 -0.13 0.45 -0.70 0.00 0.00 0.00 175.10 174.74 3hdg s GLU 15 N 1.32 0.45 0.37 2.72 2.56 -0.58 -0.92 118.70 124.62 3hdg s GLU 15 Ca -0.05 0.84 0.25 0.00 0.00 0.00 0.00 54.97 56.01 3hdg s GLU 15 Cb -0.19 0.02 0.66 0.00 2.00 0.00 0.00 34.13 36.62 3hdg s GLU 15 CO -0.07 -0.15 1.72 0.38 -0.56 0.00 0.00 175.26 176.58 3hdg h ASP 16 N 6.97 0.00 -3.22 -1.70 2.03 -1.83 -3.38 116.42 115.28 3hdg h ASP 16 Ca -0.35 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.37 3hdg h ASP 16 Cb 1.19 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.62 3hdg h ASP 16 CO 0.27 0.00 0.56 -0.62 -1.03 0.00 0.00 179.24 178.42 3hdg s ASP 17 N -5.50 6.97 0.13 4.15 2.15 -1.26 -4.94 116.67 118.36 3hdg s ASP 17 Ca 0.07 1.20 -0.18 0.00 0.43 0.00 0.00 52.55 54.08 3hdg s ASP 17 Cb 0.08 -2.48 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 3hdg s ASP 17 CO 0.61 -0.53 1.72 0.74 -0.17 0.00 0.00 175.17 177.53 3hdg h THR 18 N 5.36 1.14 -0.01 1.71 2.02 -1.99 -1.01 112.91 120.14 3hdg h THR 18 Ca -0.24 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.56 3hdg h THR 18 Cb 1.09 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 3hdg h THR 18 CO 0.90 0.15 -0.07 0.44 0.37 0.00 0.00 175.52 177.31 3hdg h ASP 19 N 0.39 -0.20 -0.16 4.18 3.32 -1.97 0.34 116.42 122.32 3hdg h ASP 19 Ca 0.11 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3hdg h ASP 19 Cb 0.09 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3hdg h ASP 19 CO -0.02 -0.10 -0.21 0.00 -1.72 0.00 0.00 179.24 177.19 3hdg h ALA 20 N 0.88 1.06 -0.21 3.45 0.00 -1.97 -0.90 119.26 121.57 3hdg h ALA 20 Ca 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3hdg h ALA 20 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hdg h ALA 20 CO -0.08 0.57 0.01 -0.09 0.00 0.00 0.00 179.25 179.67 3hdg h ARG 21 N 0.52 0.36 -0.02 0.00 2.43 -0.82 -0.53 114.38 116.32 3hdg h ARG 21 Ca 0.08 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 3hdg h ARG 21 Cb 0.65 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3hdg h ARG 21 CO 0.05 0.54 -0.48 0.93 -1.51 0.00 0.00 179.97 179.49 3hdg h GLU 22 N 0.13 0.06 -0.09 0.20 5.08 -0.82 -1.07 114.58 118.06 3hdg h GLU 22 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3hdg h GLU 22 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3hdg h GLU 22 CO 0.01 0.53 -0.05 2.35 -1.00 0.00 0.00 179.01 180.84 3hdg h TRP 23 N 0.05 0.23 -0.62 4.33 7.01 -0.99 -1.48 115.95 124.48 3hdg h TRP 23 Ca -0.00 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 60.97 3hdg h TRP 23 Cb 0.87 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.84 3hdg h TRP 23 CO 0.00 0.57 0.37 -0.07 -2.79 0.00 0.00 178.44 176.52 3hdg h LEU 24 N -0.17 0.58 -0.41 0.65 3.38 -0.93 -1.17 115.31 117.24 3hdg h LEU 24 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hdg h LEU 24 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3hdg h LEU 24 CO 0.02 0.40 0.26 -1.28 0.09 0.00 0.00 178.44 177.92 3hdg h SER 25 N 0.71 0.49 0.71 -0.43 0.87 -1.14 -2.34 113.55 112.42 3hdg h SER 25 Ca 0.25 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3hdg h SER 25 Cb 0.06 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3hdg h SER 25 CO -0.12 0.38 -0.34 0.74 -0.53 0.00 0.00 176.83 176.96 3hdg h THR 26 N 0.55 0.25 0.00 2.23 2.02 -0.66 0.76 112.91 118.06 3hdg h THR 26 Ca 0.15 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3hdg h THR 26 Cb -0.02 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3hdg h THR 26 CO -0.03 0.01 -0.02 0.16 0.37 0.00 0.00 175.52 176.01 3hdg h ILE 27 N -1.05 0.83 0.16 3.11 3.07 -1.28 -2.43 117.51 119.92 3hdg h ILE 27 Ca -0.10 -0.09 -0.28 0.00 1.55 0.00 0.00 64.86 65.94 3hdg h ILE 27 Cb 0.75 1.05 0.01 0.00 -0.27 0.00 0.00 36.82 38.37 3hdg h ILE 27 CO 0.16 0.02 -1.35 0.40 -1.05 0.00 0.00 178.15 176.34 3hdg h ILE 28 N 0.00 1.18 -0.07 0.16 2.04 -1.34 -3.31 117.51 116.17 3hdg h ILE 28 Ca -0.00 -2.51 0.02 0.00 1.00 0.00 0.00 64.86 63.37 3hdg h ILE 28 Cb 0.05 2.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3hdg h ILE 28 CO 0.00 0.76 0.06 0.77 0.00 0.00 0.00 178.15 179.74 3hdg h SER 29 N -0.15 0.00 -0.13 1.72 4.64 -0.53 0.15 113.55 119.25 3hdg h SER 29 Ca -0.26 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 3hdg h SER 29 Cb 1.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 3hdg h SER 29 CO 0.15 0.00 0.11 0.78 -0.87 0.00 0.00 176.83 177.00 3hdg h ASN 30 N 0.00 0.00 0.00 4.97 2.35 -1.53 -3.07 115.58 118.29 3hdg h ASN 30 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3hdg h ASN 30 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3hdg h ASN 30 CO -0.00 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.19 3hdg n HIS 31 N -4.18 0.00 -3.57 1.19 8.25 -0.27 -4.96 115.22 111.68 3hdg n HIS 31 Ca 0.00 -0.11 -0.23 0.00 -0.26 0.00 0.00 57.72 57.12 3hdg n HIS 31 Cb 0.22 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 3hdg n HIS 31 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hdg s PHE 32 N -0.22 0.02 0.33 4.41 0.08 0.37 -5.05 117.98 117.91 3hdg s PHE 32 Ca 0.00 -0.09 0.36 0.00 0.12 0.00 0.00 56.93 57.32 3hdg s PHE 32 Cb 0.00 -0.56 1.70 0.00 -0.57 0.00 0.00 43.02 43.59 3hdg s PHE 32 CO 0.00 -0.53 2.11 -1.00 -0.10 0.00 0.00 175.22 175.71 3hdg h PRO 33 N 8.38 0.00 -3.44 0.24 0.13 -1.85 -3.35 132.00 132.12 3hdg h PRO 33 Ca -0.16 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.28 3hdg h PRO 33 Cb 1.15 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.92 3hdg h PRO 33 CO 0.28 0.03 -0.30 -1.21 -0.23 0.00 0.00 178.00 176.57 3hdg s GLU 34 N -3.89 2.77 -0.04 0.86 2.02 -1.26 -5.05 118.70 114.10 3hdg s GLU 34 Ca -0.01 -2.85 0.05 0.00 0.02 0.00 0.00 54.97 52.18 3hdg s GLU 34 Cb 0.11 -3.77 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 3hdg s GLU 34 CO 0.51 -1.21 -0.20 0.08 0.02 0.00 0.00 175.26 174.46 3hdg s VAL 35 N -0.61 1.63 0.12 2.63 1.01 -1.26 -0.88 120.40 123.04 3hdg s VAL 35 Ca 0.21 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.45 3hdg s VAL 35 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3hdg s VAL 35 CO -0.07 0.46 -0.23 0.26 0.00 0.00 0.00 175.10 175.52 3hdg s TRP 36 N -0.08 2.02 -0.01 5.22 0.51 0.68 -4.98 118.94 122.30 3hdg s TRP 36 Ca -0.02 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.57 3hdg s TRP 36 Cb -0.12 -1.09 -0.00 0.00 -0.81 0.00 0.00 33.47 31.45 3hdg s TRP 36 CO 0.02 0.29 -0.06 -1.54 -0.51 0.00 0.00 176.95 175.15 3hdg s SER 37 N -2.09 0.76 0.04 2.95 1.04 -1.26 -0.08 113.70 115.07 3hdg s SER 37 Ca 0.11 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.47 3hdg s SER 37 Cb -0.09 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 3hdg s SER 37 CO 0.06 0.07 -0.14 0.00 0.98 0.00 0.00 173.24 174.20 3hdg s ALA 38 N -0.10 1.21 -2.42 5.32 0.00 0.28 -4.93 121.76 121.11 3hdg s ALA 38 Ca 0.02 -0.85 0.25 0.00 0.00 0.00 0.00 51.96 51.38 3hdg s ALA 38 Cb -0.03 -0.18 0.47 0.00 0.00 0.00 0.00 23.12 23.37 3hdg s ALA 38 CO -0.00 0.23 1.40 0.41 0.00 0.00 0.00 175.76 177.79 3hdg n GLY 39 N 1.85 0.23 3.53 0.00 0.00 -1.26 -1.53 105.19 108.00 3hdg n GLY 39 Ca -0.18 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 3hdg n GLY 39 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hdg s ASP 40 N -2.20 -0.42 0.48 1.61 1.47 -1.26 -3.72 116.67 112.62 3hdg s ASP 40 Ca 0.28 -0.09 0.18 0.00 1.18 0.00 0.00 52.55 54.09 3hdg s ASP 40 Cb 0.20 0.51 1.18 0.00 -0.34 0.00 0.00 42.92 44.47 3hdg s ASP 40 CO 0.41 -0.86 2.01 1.23 0.68 0.00 0.00 175.17 178.65 3hdg h GLY 41 N 2.00 0.30 0.57 2.12 0.00 -1.55 0.82 103.07 107.34 3hdg h GLY 41 Ca -0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3hdg h GLY 41 CO 0.33 0.05 -0.05 -2.09 0.00 0.00 0.00 176.54 174.78 3hdg h GLU 42 N 0.21 0.11 -0.49 4.80 4.81 -1.84 0.13 114.58 122.31 3hdg h GLU 42 Ca 0.22 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3hdg h GLU 42 Cb 0.60 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3hdg h GLU 42 CO -0.04 0.57 0.08 1.49 -0.73 0.00 0.00 179.01 180.38 3hdg h GLU 43 N -0.35 0.77 -0.54 1.92 4.81 -1.87 -1.56 114.58 117.76 3hdg h GLU 43 Ca 0.01 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3hdg h GLU 43 Cb 0.55 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3hdg h GLU 43 CO 0.01 0.73 0.30 0.78 -0.73 0.00 0.00 179.01 180.09 3hdg h GLY 44 N 0.95 0.81 0.96 1.92 0.00 -0.72 -1.51 103.07 105.48 3hdg h GLY 44 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3hdg h GLY 44 CO 0.01 0.35 0.19 -2.09 0.00 0.00 0.00 176.54 175.00 3hdg h GLU 45 N 0.73 0.53 -0.37 4.80 4.81 -0.36 -1.13 114.58 123.58 3hdg h GLU 45 Ca 0.19 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3hdg h GLU 45 Cb 0.05 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3hdg h GLU 45 CO -0.03 0.46 0.23 0.00 -0.73 0.00 0.00 179.01 178.94 3hdg h ARG 46 N 0.47 0.46 -0.04 1.92 2.47 -1.05 -1.84 114.38 116.77 3hdg h ARG 46 Ca 0.13 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.77 3hdg h ARG 46 Cb 0.09 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 3hdg h ARG 46 CO -0.02 0.30 -0.21 -0.07 0.56 0.00 0.00 179.97 180.53 3hdg h LEU 47 N 0.47 0.07 -0.15 3.04 3.38 -1.09 -1.57 115.31 119.46 3hdg h LEU 47 Ca 0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3hdg h LEU 47 Cb -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hdg h LEU 47 CO -0.05 0.29 -0.02 0.15 0.09 0.00 0.00 178.44 178.89 3hdg h PHE 48 N 0.06 0.31 -0.23 1.13 3.57 -0.61 -1.26 116.94 119.92 3hdg h PHE 48 Ca 0.01 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 3hdg h PHE 48 Cb 0.42 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3hdg h PHE 48 CO 0.00 0.54 0.11 0.78 -2.23 0.00 0.00 178.31 177.51 3hdg h GLY 49 N -0.01 0.33 0.87 2.40 0.00 -0.94 0.50 103.07 106.24 3hdg h GLY 49 Ca 0.04 -0.14 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 3hdg h GLY 49 CO 0.01 0.13 -0.82 1.41 0.00 0.00 0.00 176.54 177.28 3hdg h LEU 50 N 0.32 0.61 -2.04 3.11 3.38 -1.12 -3.39 115.31 116.18 3hdg h LEU 50 Ca 0.08 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3hdg h LEU 50 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hdg h LEU 50 CO -0.01 1.37 0.00 1.41 0.09 0.00 0.00 178.44 181.30 3hdg n HIS 51 N -4.09 0.11 -3.54 1.13 8.25 -0.49 -5.04 115.22 111.56 3hdg n HIS 51 Ca -0.12 -0.24 -0.21 0.00 -0.26 0.00 0.00 57.72 56.89 3hdg n HIS 51 Cb 0.79 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.89 3hdg n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hdg n ALA 52 N 0.17 -2.21 -1.61 -1.41 0.00 0.18 -4.87 120.51 110.76 3hdg n ALA 52 Ca 0.04 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 3hdg n ALA 52 Cb 0.23 -0.78 0.02 0.00 0.00 0.00 0.00 19.45 18.93 3hdg n ALA 52 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hdg s PRO 53 N -4.70 3.12 0.09 0.00 0.04 -1.26 -4.97 135.00 127.33 3hdg s PRO 53 Ca 0.08 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.37 3hdg s PRO 53 Cb -0.05 -2.00 -0.23 0.00 0.04 0.00 0.00 34.50 32.26 3hdg s PRO 53 CO 0.63 -0.98 1.20 -0.44 0.04 0.00 0.00 177.00 177.45 3hdg h ASP 54 N 0.27 0.37 -4.32 6.66 3.32 -1.64 -3.45 116.42 117.63 3hdg h ASP 54 Ca -0.47 -0.37 -0.62 0.00 0.02 0.00 0.00 57.03 55.59 3hdg h ASP 54 Cb 1.23 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.36 3hdg h ASP 54 CO 0.56 1.27 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.80 3hdg s VAL 55 N -2.77 1.72 -0.11 -1.35 1.01 -0.55 -0.49 120.40 117.85 3hdg s VAL 55 Ca -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3hdg s VAL 55 Cb 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 35.03 3hdg s VAL 55 CO 0.87 0.49 -0.22 -0.63 0.00 0.00 0.00 175.10 175.60 3hdg s ILE 56 N -0.38 1.97 -0.33 2.22 1.01 0.03 -0.77 121.20 124.94 3hdg s ILE 56 Ca 0.05 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 3hdg s ILE 56 Cb -0.10 -1.72 0.08 0.00 0.01 0.00 0.00 42.46 40.73 3hdg s ILE 56 CO 0.00 0.54 0.06 -0.63 0.00 0.00 0.00 174.94 174.91 3hdg s ILE 57 N 0.53 2.85 0.09 2.92 1.01 0.91 -0.69 121.20 128.83 3hdg s ILE 57 Ca -0.15 -1.79 0.06 0.00 0.00 0.00 0.00 60.65 58.78 3hdg s ILE 57 Cb -0.17 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3hdg s ILE 57 CO 0.05 -0.36 -0.16 0.28 0.00 0.00 0.00 174.94 174.75 3hdg s THR 58 N 1.14 1.34 0.58 2.92 -1.32 -0.18 -0.01 115.64 120.10 3hdg s THR 58 Ca 0.01 -1.49 -0.01 0.00 -1.21 0.00 0.00 61.69 58.99 3hdg s THR 58 Cb -0.21 -1.33 0.03 0.00 -1.51 0.00 0.00 72.50 69.48 3hdg s THR 58 CO -0.04 -0.24 0.83 -0.62 -2.21 0.00 0.00 174.62 172.34 3hdg s ASP 59 N -1.99 5.28 -0.18 8.08 2.15 -0.10 -0.63 116.67 129.28 3hdg s ASP 59 Ca 0.03 0.21 -0.17 0.00 0.43 0.00 0.00 52.55 53.05 3hdg s ASP 59 Cb -0.09 -1.10 -0.06 0.00 -0.30 0.00 0.00 42.92 41.37 3hdg s ASP 59 CO 0.03 -1.18 -0.34 -0.38 -0.17 0.00 0.00 175.17 173.13 3hdg n ILE 60 N -2.46 1.49 -3.14 4.11 5.41 -1.26 -3.48 119.36 120.03 3hdg n ILE 60 Ca 0.07 0.10 -0.39 0.00 1.00 0.00 0.00 62.75 63.53 3hdg n ILE 60 Cb 0.59 -2.29 -0.05 0.00 -0.71 0.00 0.00 39.64 37.18 3hdg n ILE 60 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3hdg s ARG 61 N -2.85 4.37 0.41 0.38 0.52 -1.26 -0.73 118.95 119.79 3hdg s ARG 61 Ca -0.29 0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 55.68 3hdg s ARG 61 Cb 0.05 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 3hdg s ARG 61 CO 0.42 0.31 0.71 -2.14 0.02 0.00 0.00 175.30 174.62 3hdg s PRO 63 N -0.02 3.60 0.00 3.54 0.02 -1.26 -4.87 135.00 136.02 3hdg s PRO 63 Ca 0.33 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.51 3hdg s PRO 63 Cb -0.19 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.87 3hdg s PRO 63 CO 0.18 -0.05 0.00 1.63 -0.33 0.00 0.00 177.00 178.44 3hdg n LYS 64 N -1.75 0.00 -3.77 5.54 5.02 -1.26 -4.09 118.16 117.85 3hdg n LYS 64 Ca -0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3hdg n LYS 64 Cb 0.55 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.43 3hdg n LYS 64 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hdg s LEU 65 N 0.00 0.91 0.51 -0.35 2.96 -1.26 -4.91 118.68 116.53 3hdg s LEU 65 Ca 0.00 0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 3hdg s LEU 65 Cb 0.00 0.67 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 3hdg s LEU 65 CO 0.00 -0.11 0.84 -0.83 -1.32 0.00 0.00 176.35 174.93 3hdg s GLY 66 N 0.60 1.57 0.24 7.98 0.00 -1.26 -1.98 107.32 114.48 3hdg s GLY 66 Ca -0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 44.72 44.25 3hdg s GLY 66 CO -0.03 -0.19 1.76 -1.33 0.00 0.00 0.00 173.10 173.30 3hdg h GLY 67 N 0.20 1.18 0.75 0.20 0.00 -0.96 -2.71 103.07 101.72 3hdg h GLY 67 Ca -0.46 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 3hdg h GLY 67 CO 0.62 -0.02 -0.08 1.41 0.00 0.00 0.00 176.54 178.47 3hdg h LEU 68 N 0.56 0.32 -1.63 3.11 3.38 -1.82 0.74 115.31 119.97 3hdg h LEU 68 Ca 0.40 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hdg h LEU 68 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hdg h LEU 68 CO -0.34 0.67 0.00 -0.62 0.09 0.00 0.00 178.44 178.24 3hdg n GLU 69 N -4.64 0.00 0.00 1.13 4.71 -1.02 -0.60 120.64 120.21 3hdg n GLU 69 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 3hdg n GLU 69 Cb 0.30 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 3hdg n GLU 69 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hdg n LEU 71 N 0.81 0.00 -0.07 -4.62 4.77 0.25 -1.88 117.00 116.26 3hdg n LEU 71 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3hdg n LEU 71 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3hdg n LEU 71 CO 0.00 0.00 0.95 -0.78 -1.33 0.00 0.00 177.39 176.23 3hdg h ASP 72 N 0.00 0.18 -0.73 -1.43 3.58 -1.12 0.20 116.42 117.10 3hdg h ASP 72 Ca 0.00 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 3hdg h ASP 72 Cb 0.00 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 3hdg h ASP 72 CO 0.00 0.14 0.44 0.03 -2.88 0.00 0.00 179.24 176.97 3hdg h ARG 73 N 0.27 0.99 -0.57 0.28 3.08 -1.64 0.19 114.38 116.98 3hdg h ARG 73 Ca 0.11 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3hdg h ARG 73 Cb 0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3hdg h ARG 73 CO -0.09 0.70 0.10 0.82 -1.07 0.00 0.00 179.97 180.44 3hdg h ILE 74 N 1.00 1.25 -0.23 2.04 2.04 -1.75 -2.92 117.51 118.93 3hdg h ILE 74 Ca 0.26 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 3hdg h ILE 74 Cb -0.04 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3hdg h ILE 74 CO -0.05 0.35 -0.06 0.11 0.00 0.00 0.00 178.15 178.51 3hdg h LYS 75 N 0.84 0.45 -0.58 2.37 1.79 -0.53 -2.59 116.57 118.32 3hdg h LYS 75 Ca 0.17 -0.17 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 3hdg h LYS 75 Cb 0.40 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 3hdg h LYS 75 CO 0.01 0.68 0.62 0.00 -1.08 0.00 0.00 179.45 179.68 3hdg h ALA 76 N 0.75 2.34 -0.00 3.86 0.00 -0.54 1.11 119.26 126.79 3hdg h ALA 76 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hdg h ALA 76 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hdg h ALA 76 CO 0.02 -0.92 -0.07 0.41 0.00 0.00 0.00 179.25 178.69 3hdg n GLY 77 N -1.55 -1.24 0.00 0.00 0.00 -0.98 -4.94 105.19 96.49 3hdg n GLY 77 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3hdg n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hdg n GLY 78 N 1.35 0.31 3.82 -0.02 0.00 0.38 -5.09 105.19 105.95 3hdg n GLY 78 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3hdg n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hdg s ALA 79 N -2.00 2.99 -0.47 4.61 0.00 -1.23 -5.01 121.76 120.65 3hdg s ALA 79 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.43 3hdg s ALA 79 Cb 0.00 -3.17 0.24 0.00 0.00 0.00 0.00 23.12 20.19 3hdg s ALA 79 CO 0.00 -0.09 0.57 1.63 0.00 0.00 0.00 175.76 177.87 3hdg n LYS 80 N -0.97 1.22 -2.29 0.00 5.02 -1.26 -4.50 118.16 115.38 3hdg n LYS 80 Ca 0.08 -3.66 -0.30 0.00 -2.02 0.00 0.00 58.31 52.40 3hdg n LYS 80 Cb 0.54 -1.57 -0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3hdg n LYS 80 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hdg s PRO 81 N -1.47 3.65 0.31 1.97 0.04 -1.26 -5.03 135.00 133.21 3hdg s PRO 81 Ca 0.36 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 3hdg s PRO 81 Cb 0.15 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3hdg s PRO 81 CO -0.09 -0.35 1.05 0.71 0.04 0.00 0.00 177.00 178.36 3hdg s TYR 82 N -2.88 3.56 -0.07 0.56 2.02 0.36 -4.90 117.35 116.00 3hdg s TYR 82 Ca 0.53 1.72 0.03 0.00 -0.37 0.00 0.00 57.07 58.98 3hdg s TYR 82 Cb -0.11 -3.17 0.01 0.00 -0.40 0.00 0.00 41.96 38.29 3hdg s TYR 82 CO 0.45 -0.37 -0.17 0.08 -1.57 0.00 0.00 175.55 173.97 3hdg s VAL 83 N -1.33 1.53 -0.13 0.71 1.01 -1.26 -0.79 120.40 120.13 3hdg s VAL 83 Ca 0.48 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3hdg s VAL 83 Cb -0.27 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3hdg s VAL 83 CO 0.35 0.44 -0.22 -0.63 0.00 0.00 0.00 175.10 175.04 3hdg s ILE 84 N 0.43 2.13 -0.25 2.22 1.01 0.14 -0.53 121.20 126.35 3hdg s ILE 84 Ca -0.14 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.44 3hdg s ILE 84 Cb -0.16 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3hdg s ILE 84 CO 0.05 0.55 0.14 -0.69 0.00 0.00 0.00 174.94 174.99 3hdg s VAL 85 N 0.66 5.02 -0.36 2.92 1.01 0.32 -1.01 120.40 128.96 3hdg s VAL 85 Ca -0.11 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3hdg s VAL 85 Cb -0.16 -3.35 0.56 0.00 0.00 0.00 0.00 36.38 33.43 3hdg s VAL 85 CO 0.02 0.33 1.63 2.30 0.00 0.00 0.00 175.10 179.38 3hdg n ILE 86 N 4.60 2.82 -3.42 2.22 -5.35 0.20 -0.92 119.36 119.51 3hdg n ILE 86 Ca -0.15 -2.52 -0.38 0.00 -0.27 0.00 0.00 62.75 59.43 3hdg n ILE 86 Cb 0.52 -0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 37.94 3hdg n ILE 86 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3hdg s SER 87 N -2.13 6.84 -1.00 7.28 0.15 -1.26 -4.29 113.70 119.29 3hdg s SER 87 Ca 0.50 0.99 -0.02 0.00 0.70 0.00 0.00 55.95 58.13 3hdg s SER 87 Cb 0.44 -2.28 0.31 0.00 -1.71 0.00 0.00 66.02 62.78 3hdg s SER 87 CO 0.03 0.26 1.57 0.00 1.20 0.00 0.00 173.24 176.30 3hdg n ALA 88 N 2.14 5.50 -1.36 5.45 0.00 -1.26 -4.44 120.51 126.53 3hdg n ALA 88 Ca -0.12 -4.71 -0.29 0.00 0.00 0.00 0.00 53.44 48.32 3hdg n ALA 88 Cb 0.52 -2.10 0.15 0.00 0.00 0.00 0.00 19.45 18.02 3hdg n ALA 88 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hdg s PHE 89 N -3.52 2.37 -0.16 0.00 -0.12 -1.26 -4.99 117.98 110.30 3hdg s PHE 89 Ca 0.36 0.99 0.10 0.00 -0.05 0.00 0.00 56.93 58.33 3hdg s PHE 89 Cb 0.13 -3.28 0.20 0.00 -0.63 0.00 0.00 43.02 39.44 3hdg s PHE 89 CO -0.02 -2.51 1.12 0.43 -0.05 0.00 0.00 175.22 174.20 3hdg n SER 90 N -3.90 2.41 0.00 1.98 7.64 -1.26 -5.14 113.62 115.34 3hdg n SER 90 Ca 0.06 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.41 3hdg n SER 90 Cb 0.58 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 3hdg n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hdg n GLU 91 N -0.78 1.43 0.00 1.43 4.71 -1.26 -5.11 120.64 121.06 3hdg n GLU 91 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 3hdg n GLU 91 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.91 3hdg n GLU 91 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 3hdg n LYS 93 N 0.00 0.00 -0.05 3.49 -0.00 -1.26 -4.33 118.16 116.01 3hdg n LYS 93 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3hdg n LYS 93 Cb 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 35.03 34.94 3hdg n LYS 93 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 3hdg h TYR 94 N 0.00 0.34 -0.59 5.58 -1.99 -1.99 -2.31 116.97 116.01 3hdg h TYR 94 Ca 0.00 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 60.71 3hdg h TYR 94 Cb 0.00 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 38.59 3hdg h TYR 94 CO 0.00 0.63 0.28 0.35 -0.00 0.00 0.00 178.16 179.41 3hdg h PHE 95 N -0.04 0.50 -0.02 4.88 3.57 -1.99 0.39 116.94 124.23 3hdg h PHE 95 Ca 0.03 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3hdg h PHE 95 Cb 0.54 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3hdg h PHE 95 CO 0.07 0.20 -0.02 0.82 -2.23 0.00 0.00 178.31 177.15 3hdg h ILE 96 N 0.51 0.94 -0.52 1.41 2.04 -1.91 -0.97 117.51 119.00 3hdg h ILE 96 Ca 0.28 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.06 3hdg h ILE 96 Cb 0.25 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3hdg h ILE 96 CO -0.22 0.00 0.00 0.50 0.00 0.00 0.00 178.15 178.43 3hdg h LYS 97 N -0.03 0.88 -0.74 2.37 1.63 -1.11 -2.12 116.57 117.45 3hdg h LYS 97 Ca 0.02 -0.25 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 3hdg h LYS 97 Cb 0.05 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 3hdg h LYS 97 CO -0.03 0.88 0.48 0.00 -3.45 0.00 0.00 179.45 177.32 3hdg h ALA 98 N 1.18 0.97 -0.13 5.00 0.00 -0.59 -1.53 119.26 124.16 3hdg h ALA 98 Ca 0.16 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3hdg h ALA 98 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hdg h ALA 98 CO 0.02 0.29 -0.47 0.82 0.00 0.00 0.00 179.25 179.92 3hdg h ILE 99 N 0.95 1.33 -0.41 0.00 1.08 -0.96 -1.91 117.51 117.58 3hdg h ILE 99 Ca 0.29 -1.67 -0.05 0.00 -0.39 0.00 0.00 64.86 63.04 3hdg h ILE 99 Cb -0.02 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 3hdg h ILE 99 CO -0.09 0.50 0.07 -0.33 -0.69 0.00 0.00 178.15 177.61 3hdg h GLU 100 N 0.26 0.68 0.00 2.37 5.08 -0.75 -2.34 114.58 119.88 3hdg h GLU 100 Ca 0.02 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 3hdg h GLU 100 Cb 0.93 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3hdg h GLU 100 CO 0.08 0.72 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.50 3hdg h LEU 101 N 0.54 0.00 -0.32 1.33 3.38 -1.12 -3.47 115.31 115.65 3hdg h LEU 101 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hdg h LEU 101 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hdg h LEU 101 CO 0.01 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.39 3hdg n GLY 102 N -0.68 0.57 3.90 0.83 0.00 -0.73 -5.09 105.19 103.99 3hdg n GLY 102 Ca -0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3hdg n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hdg s VAL 103 N -0.24 5.41 -1.77 1.61 1.01 -1.17 -4.72 120.40 120.53 3hdg s VAL 103 Ca 0.00 -0.19 0.20 0.00 0.00 0.00 0.00 61.98 62.00 3hdg s VAL 103 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3hdg s VAL 103 CO 0.00 0.31 1.00 1.41 0.00 0.00 0.00 175.10 177.82 3hdg n HIS 104 N 0.90 0.00 -3.65 5.22 8.25 0.32 -4.97 115.22 121.29 3hdg n HIS 104 Ca -0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3hdg n HIS 104 Cb 0.52 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.57 3hdg n HIS 104 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hdg s LEU 105 N -2.41 -0.12 -0.24 2.41 1.98 -1.11 -4.99 118.68 114.20 3hdg s LEU 105 Ca 0.16 0.21 -0.06 0.00 -2.89 0.00 0.00 54.13 51.55 3hdg s LEU 105 Cb 0.16 1.20 -0.02 0.00 0.66 0.00 0.00 46.19 48.20 3hdg s LEU 105 CO 0.55 -0.03 0.03 -0.36 -1.89 0.00 0.00 176.35 174.64 3hdg s PHE 106 N 0.69 3.04 -0.56 5.38 0.08 -1.26 -0.52 117.98 124.83 3hdg s PHE 106 Ca -0.02 -0.67 0.05 0.00 0.12 0.00 0.00 56.93 56.40 3hdg s PHE 106 Cb -0.03 -2.19 0.19 0.00 -0.57 0.00 0.00 43.02 40.42 3hdg s PHE 106 CO -0.12 -0.45 0.49 -0.11 -0.10 0.00 0.00 175.22 174.93 3hdg n LEU 107 N 4.87 1.68 -4.65 -0.37 7.94 -0.09 -4.96 117.00 121.41 3hdg n LEU 107 Ca -0.17 -4.92 -0.30 0.00 -1.11 0.00 0.00 56.01 49.51 3hdg n LEU 107 Cb 0.51 -0.15 0.17 0.00 0.53 0.00 0.00 43.42 44.48 3hdg n LEU 107 CO 0.30 1.88 0.63 -2.16 -1.11 0.00 0.00 177.39 176.94 3hdg s PRO 108 N -1.13 0.68 0.33 1.96 0.04 -1.26 -4.33 135.00 131.30 3hdg s PRO 108 Ca 0.31 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.21 3hdg s PRO 108 Cb 0.04 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 3hdg s PRO 108 CO -0.15 -2.70 0.81 0.15 0.04 0.00 0.00 177.00 175.15 3hdg s LYS 109 N -4.73 4.17 0.24 4.56 1.02 -1.26 -3.47 119.74 120.26 3hdg s LYS 109 Ca 0.65 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 57.24 3hdg s LYS 109 Cb -0.21 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.53 3hdg s LYS 109 CO 0.59 0.16 1.19 -1.25 -0.92 0.00 0.00 175.35 175.13 3hdg s PRO 110 N -2.76 4.51 0.22 -1.68 0.04 -1.26 -4.89 135.00 129.18 3hdg s PRO 110 Ca 0.54 1.92 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 3hdg s PRO 110 Cb -0.12 -3.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.13 3hdg s PRO 110 CO 0.17 -0.02 1.48 0.42 0.04 0.00 0.00 177.00 179.09 3hdg s ILE 111 N -0.55 2.67 -0.68 0.56 1.01 -1.23 -4.99 121.20 118.01 3hdg s ILE 111 Ca 0.50 0.53 -0.21 0.00 0.00 0.00 0.00 60.65 61.47 3hdg s ILE 111 Cb -0.34 -3.34 0.09 0.00 0.01 0.00 0.00 42.46 38.88 3hdg s ILE 111 CO 0.41 0.07 0.90 -1.61 0.00 0.00 0.00 174.94 174.71 3hdg s GLU 112 N 0.16 3.17 0.29 2.79 2.02 -1.26 -4.93 118.70 120.94 3hdg s GLU 112 Ca 0.63 -1.15 0.04 0.00 0.02 0.00 0.00 54.97 54.52 3hdg s GLU 112 Cb -0.42 -4.34 0.70 0.00 0.10 0.00 0.00 34.13 30.17 3hdg s GLU 112 CO 0.39 -1.72 1.76 -1.00 0.02 0.00 0.00 175.26 174.71 3hdg h PRO 113 N 9.32 0.65 -0.31 0.39 0.13 -1.99 -1.43 132.00 138.76 3hdg h PRO 113 Ca -0.22 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.90 3hdg h PRO 113 Cb 1.07 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 3hdg h PRO 113 CO 1.14 0.43 0.11 0.78 -0.23 0.00 0.00 178.00 180.23 3hdg h GLY 114 N 0.67 0.39 1.63 1.56 0.00 -2.04 -1.82 103.07 103.44 3hdg h GLY 114 Ca 0.56 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 3hdg h GLY 114 CO -0.41 0.03 -0.05 -0.09 0.00 0.00 0.00 176.54 176.03 3hdg h ARG 115 N 0.25 0.46 -0.61 4.80 2.43 -1.72 -2.57 114.38 117.42 3hdg h ARG 115 Ca 0.14 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3hdg h ARG 115 Cb 0.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3hdg h ARG 115 CO -0.14 0.53 0.00 -0.11 -1.51 0.00 0.00 179.97 178.75 3hdg n LEU 116 N -4.26 0.49 0.00 3.80 7.94 -0.69 -2.48 117.00 121.80 3hdg n LEU 116 Ca 0.01 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.66 3hdg n LEU 116 Cb 0.27 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.04 3hdg n LEU 116 CO 0.39 0.11 0.00 -0.62 -1.11 0.00 0.00 177.39 176.16 3hdg n GLU 118 N 0.42 0.00 -0.15 1.96 1.02 -0.97 -1.44 120.64 121.49 3hdg n GLU 118 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3hdg n GLU 118 Cb 0.11 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.52 3hdg n GLU 118 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3hdg h THR 119 N 0.00 1.22 -0.64 2.62 2.02 -1.76 0.10 112.91 116.47 3hdg h THR 119 Ca 0.00 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 3hdg h THR 119 Cb 0.00 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3hdg h THR 119 CO 0.00 0.26 0.27 -0.07 0.37 0.00 0.00 175.52 176.35 3hdg h LEU 120 N 0.56 0.85 -0.88 2.58 3.38 -1.52 -1.18 115.31 119.09 3hdg h LEU 120 Ca 0.14 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3hdg h LEU 120 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hdg h LEU 120 CO -0.00 0.75 -0.14 -0.33 0.09 0.00 0.00 178.44 178.81 3hdg h GLU 121 N 0.92 0.68 -0.17 1.13 4.39 -1.67 -0.25 114.58 119.59 3hdg h GLU 121 Ca 0.22 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hdg h GLU 121 Cb 0.16 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3hdg h GLU 121 CO -0.02 0.79 0.11 -0.44 -1.16 0.00 0.00 179.01 178.28 3hdg h ASP 122 N 0.61 0.18 -0.94 1.42 3.32 -0.17 -0.16 116.42 120.67 3hdg h ASP 122 Ca 0.10 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3hdg h ASP 122 Cb 0.59 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 3hdg h ASP 122 CO 0.04 0.13 0.57 -0.26 -1.72 0.00 0.00 179.24 178.00 3hdg h PHE 123 N 0.22 1.25 -0.71 4.55 0.04 -0.77 -0.33 116.94 121.19 3hdg h PHE 123 Ca 0.07 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3hdg h PHE 123 Cb -0.01 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 37.69 3hdg h PHE 123 CO -0.07 0.83 0.37 -0.09 -0.60 0.00 0.00 178.31 178.75 3hdg h ARG 124 N 1.30 1.00 -0.64 1.51 2.43 -0.63 -1.59 114.38 117.77 3hdg h ARG 124 Ca 0.34 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3hdg h ARG 124 Cb -0.05 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 3hdg h ARG 124 CO -0.06 0.76 0.29 0.45 -1.51 0.00 0.00 179.97 179.90 3hdg h HIS 125 N 0.98 0.93 -0.70 2.20 3.86 -0.11 -0.94 115.15 121.38 3hdg h HIS 125 Ca 0.25 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3hdg h HIS 125 Cb 0.06 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 3hdg h HIS 125 CO 0.00 0.71 0.42 0.82 0.86 0.00 0.00 177.93 180.74 3hdg h ILE 126 N 0.88 1.20 0.00 2.45 2.04 -0.70 0.20 117.51 123.58 3hdg h ILE 126 Ca 0.22 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3hdg h ILE 126 Cb 0.14 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3hdg h ILE 126 CO -0.02 0.21 -0.27 0.50 0.00 0.00 0.00 178.15 178.57 3hdg h LYS 127 N 0.96 0.00 0.26 2.37 3.64 -1.07 -1.93 116.57 120.80 3hdg h LYS 127 Ca 0.25 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3hdg h LYS 127 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3hdg h LYS 127 CO -0.05 0.27 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.21 3hdg h LEU 128 N 0.00 -0.29 -1.98 5.20 3.38 -0.08 0.95 115.31 122.48 3hdg h LEU 128 Ca -0.00 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.18 3hdg h LEU 128 Cb 0.71 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3hdg h LEU 128 CO 0.04 0.06 0.54 0.00 0.09 0.00 0.00 178.44 179.16 3hdg h ALA 129 N -1.31 2.61 0.00 1.53 0.00 -0.68 0.41 119.26 121.81 3hdg h ALA 129 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hdg h ALA 129 Cb 0.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hdg h ALA 129 CO 0.06 -0.90 -1.10 1.17 0.00 0.00 0.00 179.25 178.47 3hdg n LYS 130 N -4.16 0.58 -0.40 0.00 4.81 -0.73 -5.10 118.16 113.17 3hdg n LYS 130 Ca 0.14 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3hdg n LYS 130 Cb 0.81 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 34.08 3hdg n LYS 130 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96