#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hml s GLN 2 N 0.00 2.85 0.65 1.64 0.74 -1.26 -1.34 119.66 122.94 1hml s GLN 2 Ca 0.00 -1.00 -0.10 0.00 0.05 0.00 0.00 55.36 54.30 1hml s GLN 2 Cb 0.00 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.83 1hml s GLN 2 CO 0.00 -0.50 1.03 -0.06 -0.55 0.00 0.00 175.29 175.21 1hml s PHE 3 N 1.41 3.44 0.50 1.67 0.08 -0.72 -5.00 117.98 119.35 1hml s PHE 3 Ca 0.00 1.07 0.02 0.00 0.12 0.00 0.00 56.93 58.15 1hml s PHE 3 Cb -0.18 -2.86 0.02 0.00 -0.57 0.00 0.00 43.02 39.43 1hml s PHE 3 CO 0.00 -0.91 0.71 0.95 -0.10 0.00 0.00 175.22 175.87 1hml s THR 4 N -3.22 3.12 0.15 0.64 -4.23 -1.26 -4.82 115.64 106.03 1hml s THR 4 Ca 0.56 -0.68 -0.22 0.00 -1.18 0.00 0.00 61.69 60.16 1hml s THR 4 Cb -0.11 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.62 1hml s THR 4 CO 0.51 -0.09 1.63 0.50 -0.54 0.00 0.00 174.62 176.63 1hml h LYS 5 N 0.27 -0.24 -0.19 3.99 3.64 -1.99 -2.23 116.57 119.82 1hml h LYS 5 Ca -0.43 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 58.83 1hml h LYS 5 Cb 1.28 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1hml h LYS 5 CO 0.53 -0.16 -0.45 0.00 -2.27 0.00 0.00 179.45 177.09 1hml h GLU 7 N 0.38 -0.47 -0.76 0.00 4.81 -1.90 -1.49 114.58 115.15 1hml h GLU 7 Ca 0.02 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1hml h GLU 7 Cb 0.95 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1hml h GLU 7 CO 0.08 -0.31 0.32 1.25 -0.73 0.00 0.00 179.01 179.62 1hml h LEU 8 N -0.48 1.03 -0.67 1.64 5.85 -1.40 -2.34 115.31 118.93 1hml h LEU 8 Ca -0.04 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1hml h LEU 8 Cb 0.38 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1hml h LEU 8 CO 0.06 0.90 0.34 0.28 -0.34 0.00 0.00 178.44 179.69 1hml h SER 9 N 1.10 0.47 -0.66 1.25 0.02 -1.01 -0.99 113.55 113.73 1hml h SER 9 Ca 0.26 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1hml h SER 9 Cb 0.19 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1hml h SER 9 CO -0.02 0.29 0.27 1.56 -1.14 0.00 0.00 176.83 177.78 1hml h GLN 10 N 0.61 0.98 0.00 3.45 4.20 -0.88 -1.12 115.11 122.35 1hml h GLN 10 Ca 0.32 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 1hml h GLN 10 Cb 0.29 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1hml h GLN 10 CO -0.23 0.81 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.36 1hml h LEU 11 N 0.92 0.00 -2.70 1.46 3.38 -0.89 -3.16 115.31 114.32 1hml h LEU 11 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1hml h LEU 11 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1hml h LEU 11 CO -0.02 0.32 0.00 0.18 0.09 0.00 0.00 178.44 179.01 1hml n LEU 12 N -4.13 3.55 -0.29 1.67 4.77 -0.43 -4.70 117.00 117.44 1hml n LEU 12 Ca -0.02 -1.91 0.10 0.00 -0.03 0.00 0.00 56.01 54.15 1hml n LEU 12 Cb 0.36 -0.37 0.26 0.00 -2.33 0.00 0.00 43.42 41.34 1hml n LEU 12 CO 0.38 0.87 1.04 0.50 -1.33 0.00 0.00 177.39 178.85 1hml h LYS 13 N 3.60 0.43 0.00 3.23 1.63 -1.17 -0.16 116.57 124.13 1hml h LYS 13 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1hml h LYS 13 Cb 0.90 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1hml h LYS 13 CO 0.00 0.28 0.00 -0.25 -3.45 0.00 0.00 179.45 176.03 1hml n ASP 14 N -5.01 0.00 -0.29 4.20 8.00 -1.26 -2.58 116.55 119.61 1hml n ASP 14 Ca 0.19 0.42 0.12 0.00 0.71 0.00 0.00 54.79 56.23 1hml n ASP 14 Cb 0.56 -0.45 0.28 0.00 -0.02 0.00 0.00 41.12 41.48 1hml n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hml n ILE 15 N -1.45 0.00 -1.67 0.53 3.06 -0.07 -4.93 119.36 114.83 1hml n ILE 15 Ca 0.04 -0.15 -0.48 0.00 -2.50 0.00 0.00 62.75 59.66 1hml n ILE 15 Cb 0.14 0.59 -0.05 0.00 0.54 0.00 0.00 39.64 40.86 1hml n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1hml n ASP 16 N -0.57 3.11 0.00 9.51 2.03 -1.06 -1.46 116.55 128.11 1hml n ASP 16 Ca 0.11 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1hml n ASP 16 Cb 0.37 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 1hml n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hml n GLY 17 N 3.77 1.97 3.67 0.27 0.00 0.73 -4.93 105.19 110.67 1hml n GLY 17 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1hml n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1hml n TYR 18 N -2.00 2.52 -2.52 1.61 4.19 -0.54 -1.33 117.16 119.08 1hml n TYR 18 Ca 0.00 -0.30 -0.16 0.00 3.31 0.00 0.00 57.90 60.75 1hml n TYR 18 Cb 0.00 -2.78 0.01 0.00 0.49 0.00 0.00 39.34 37.06 1hml n TYR 18 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1hml n GLY 19 N 4.48 -0.22 2.49 2.98 0.00 -1.26 -2.38 105.19 111.28 1hml n GLY 19 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1hml n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hml n GLY 20 N -1.15 0.43 3.62 -0.02 0.00 -0.44 -4.97 105.19 102.66 1hml n GLY 20 Ca -0.13 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1hml n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hml s ILE 21 N -1.65 5.25 0.32 -0.61 1.09 -1.00 -4.92 121.20 119.68 1hml s ILE 21 Ca 0.00 0.41 -0.27 0.00 -1.10 0.00 0.00 60.65 59.69 1hml s ILE 21 Cb 0.00 -3.62 -0.09 0.00 -1.06 0.00 0.00 42.46 37.69 1hml s ILE 21 CO 0.00 0.23 1.00 0.00 -0.10 0.00 0.00 174.94 176.07 1hml s ALA 22 N 1.68 3.23 0.17 9.38 0.00 -1.26 -0.19 121.76 134.76 1hml s ALA 22 Ca 0.12 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.58 1hml s ALA 22 Cb -0.15 -3.24 0.14 0.00 0.00 0.00 0.00 23.12 19.87 1hml s ALA 22 CO 0.09 0.02 1.69 1.25 0.00 0.00 0.00 175.76 178.80 1hml h LEU 23 N 3.23 -0.22 -1.37 0.00 5.85 -1.91 -1.84 115.31 119.05 1hml h LEU 23 Ca -0.47 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1hml h LEU 23 Cb 1.20 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 1hml h LEU 23 CO 0.65 -0.07 0.44 -0.65 -0.34 0.00 0.00 178.44 178.47 1hml h PRO 24 N 0.09 0.82 -0.71 5.25 0.11 -1.94 -0.13 132.00 135.50 1hml h PRO 24 Ca 0.22 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 1hml h PRO 24 Cb 0.32 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 1hml h PRO 24 CO -0.37 0.54 0.19 0.93 -0.21 0.00 0.00 178.00 179.07 1hml h GLU 25 N 0.85 1.12 -0.33 1.05 5.08 -1.66 -1.57 114.58 119.11 1hml h GLU 25 Ca 0.25 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1hml h GLU 25 Cb -0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1hml h GLU 25 CO -0.06 0.98 -0.40 1.25 -1.00 0.00 0.00 179.01 179.78 1hml h LEU 26 N 1.06 0.86 -0.33 1.33 7.12 -0.56 -2.01 115.31 122.78 1hml h LEU 26 Ca 0.22 -0.40 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 1hml h LEU 26 Cb 0.35 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 1hml h LEU 26 CO -0.00 1.15 0.14 0.40 -0.13 0.00 0.00 178.44 180.00 1hml h ILE 27 N 0.66 1.18 -0.57 4.05 1.08 -0.96 -1.35 117.51 121.61 1hml h ILE 27 Ca 0.05 -0.54 0.04 0.00 -0.39 0.00 0.00 64.86 64.02 1hml h ILE 27 Cb 0.96 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 1hml h ILE 27 CO 0.09 0.19 0.31 0.00 -0.69 0.00 0.00 178.15 178.06 1hml h THR 29 N 0.60 1.00 -0.05 0.00 2.02 -1.11 -2.50 112.91 112.88 1hml h THR 29 Ca 0.24 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1hml h THR 29 Cb 0.11 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1hml h THR 29 CO -0.14 0.05 -0.36 0.24 0.37 0.00 0.00 175.52 175.68 1hml h MET 30 N 0.27 0.10 0.22 6.66 2.07 -0.94 -1.83 114.93 121.48 1hml h MET 30 Ca 0.10 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 1hml h MET 30 Cb 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 1hml h MET 30 CO -0.06 0.45 -0.11 0.35 1.07 0.00 0.00 176.91 178.60 1hml h PHE 31 N 0.09 -0.29 0.00 -0.22 3.57 -0.70 -1.62 116.94 117.76 1hml h PHE 31 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1hml h PHE 31 Cb 0.68 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1hml h PHE 31 CO 0.00 -0.18 0.00 0.72 -2.23 0.00 0.00 178.31 176.62 1hml n HIS 32 N -5.23 0.11 -0.09 0.41 8.25 -1.05 -1.10 115.22 116.52 1hml n HIS 32 Ca -0.09 0.04 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 1hml n HIS 32 Cb 0.15 -0.56 -0.12 0.00 1.12 0.00 0.00 29.99 30.58 1hml n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1hml n THR 33 N -1.59 1.59 -0.62 1.59 -1.04 -0.70 -4.79 114.28 108.72 1hml n THR 33 Ca 0.05 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1hml n THR 33 Cb 0.24 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 1hml n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1hml n SER 34 N -3.99 0.08 -1.77 8.00 3.41 -0.65 -4.94 113.62 113.76 1hml n SER 34 Ca -0.39 -0.72 -0.16 0.00 -0.26 0.00 0.00 58.87 57.34 1hml n SER 34 Cb 0.86 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 1hml n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hml n GLY 35 N 0.04 -0.09 2.36 5.00 0.00 -0.26 -2.54 105.19 109.70 1hml n GLY 35 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1hml n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hml n TYR 36 N -3.86 -0.31 -3.50 1.61 4.01 -1.24 -4.78 117.16 109.09 1hml n TYR 36 Ca -0.19 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.16 1hml n TYR 36 Cb 0.63 -2.81 -0.10 0.00 -0.31 0.00 0.00 39.34 36.75 1hml n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1hml s ASP 37 N -2.62 6.11 0.44 7.72 -1.08 -1.05 -1.75 116.67 124.44 1hml s ASP 37 Ca 0.00 -0.02 0.30 0.00 -0.52 0.00 0.00 52.55 52.31 1hml s ASP 37 Cb 0.00 -2.16 1.30 0.00 -1.46 0.00 0.00 42.92 40.60 1hml s ASP 37 CO 0.00 -0.16 1.90 0.71 0.52 0.00 0.00 175.17 178.14 1hml h THR 38 N 5.42 0.00 -0.60 1.71 1.35 -1.55 -2.93 112.91 116.32 1hml h THR 38 Ca -0.33 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1hml h THR 38 Cb 1.17 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1hml h THR 38 CO 0.61 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1hml n GLN 39 N -2.72 2.69 -1.90 4.72 6.02 -1.26 -4.07 117.38 120.86 1hml n GLN 39 Ca 0.01 -2.46 -0.42 0.00 -0.01 0.00 0.00 57.00 54.11 1hml n GLN 39 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 1hml n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hml s ALA 40 N -1.07 3.78 -0.07 -1.58 0.00 -1.17 -4.81 121.76 116.84 1hml s ALA 40 Ca 0.42 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.78 1hml s ALA 40 Cb 0.22 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1hml s ALA 40 CO 0.29 -0.81 -0.01 0.42 0.00 0.00 0.00 175.76 175.65 1hml s ILE 41 N 0.93 0.47 -0.20 0.00 1.01 -1.26 -0.56 121.20 121.60 1hml s ILE 41 Ca 0.69 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.39 1hml s ILE 41 Cb -0.45 -0.60 0.05 0.00 0.01 0.00 0.00 42.46 41.47 1hml s ILE 41 CO 0.34 0.27 -0.08 -0.69 0.00 0.00 0.00 174.94 174.78 1hml s VAL 42 N 1.81 1.51 -0.14 2.92 1.01 -0.68 -4.99 120.40 121.84 1hml s VAL 42 Ca 0.03 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1hml s VAL 42 Cb -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1hml s VAL 42 CO -0.05 0.10 1.13 -1.61 0.00 0.00 0.00 175.10 174.67 1hml s GLU 43 N 1.44 4.31 0.00 2.72 2.02 -1.26 -1.23 118.70 126.70 1hml s GLU 43 Ca -0.02 1.52 0.00 0.00 0.02 0.00 0.00 54.97 56.49 1hml s GLU 43 Cb -0.17 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1hml s GLU 43 CO -0.08 -0.53 0.00 0.09 0.02 0.00 0.00 175.26 174.76 1hml n ASN 44 N 5.81 0.10 0.00 -0.19 3.02 0.06 -5.00 115.26 119.07 1hml n ASN 44 Ca 0.11 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1hml n ASN 44 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1hml n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hml n ASN 45 N -2.56 0.00 -1.22 6.41 5.03 -1.26 -4.05 115.26 117.61 1hml n ASN 45 Ca 0.00 0.32 -0.06 0.00 0.87 0.00 0.00 54.58 55.70 1hml n ASN 45 Cb 0.00 0.00 0.17 0.00 -1.02 0.00 0.00 39.78 38.93 1hml n ASN 45 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1hml n GLU 46 N -0.53 2.09 -3.89 3.52 0.00 -1.26 -4.99 120.64 115.58 1hml n GLU 46 Ca 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 57.16 53.68 1hml n GLU 46 Cb 0.00 -1.86 -0.06 0.00 0.00 0.00 0.00 31.44 29.52 1hml n GLU 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1hml s SER 47 N -2.86 -0.08 0.00 -1.84 1.04 -1.26 -4.84 113.70 103.87 1hml s SER 47 Ca 0.45 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 1hml s SER 47 Cb 0.40 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 67.02 1hml s SER 47 CO -0.02 -0.98 0.04 -0.89 0.98 0.00 0.00 173.24 172.37 1hml s THR 48 N -3.94 0.07 -0.04 2.02 2.01 -1.26 -0.76 115.64 113.73 1hml s THR 48 Ca 0.15 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1hml s THR 48 Cb 0.01 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1hml s THR 48 CO 0.00 -0.30 -0.08 -1.61 -0.69 0.00 0.00 174.62 171.95 1hml s GLU 49 N -0.92 2.63 0.03 4.92 2.02 -0.37 -1.69 118.70 125.33 1hml s GLU 49 Ca -0.10 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.32 1hml s GLU 49 Cb -0.06 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 1hml s GLU 49 CO -0.00 0.64 -0.19 0.71 0.02 0.00 0.00 175.26 176.43 1hml s TYR 50 N -0.87 1.68 0.04 1.61 1.51 -0.25 -1.69 117.35 119.39 1hml s TYR 50 Ca 0.14 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 1hml s TYR 50 Cb -0.11 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1hml s TYR 50 CO 0.03 0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 1hml n GLY 51 N 1.97 -1.71 0.34 0.71 0.00 0.28 -1.81 105.19 104.97 1hml n GLY 51 Ca -0.17 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 44.72 1hml n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hml h LEU 52 N 0.00 0.65 -1.13 0.99 5.85 -1.66 -1.07 115.31 118.94 1hml h LEU 52 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1hml h LEU 52 Cb 0.15 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1hml h LEU 52 CO 0.00 0.18 -0.12 0.49 -0.34 0.00 0.00 178.44 178.65 1hml n PHE 53 N -4.86 0.00 -3.64 1.25 3.72 -1.26 -4.38 117.46 108.28 1hml n PHE 53 Ca 0.23 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.36 1hml n PHE 53 Cb 0.62 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 39.17 1hml n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1hml n GLN 54 N 0.29 -1.92 -2.84 -1.08 1.13 -0.41 -4.94 117.38 107.60 1hml n GLN 54 Ca 0.15 0.53 -0.41 0.00 -1.94 0.00 0.00 57.00 55.32 1hml n GLN 54 Cb 0.43 -4.50 -0.04 0.00 0.11 0.00 0.00 30.24 26.24 1hml n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hml s ILE 55 N -3.51 4.90 0.24 5.09 1.01 -0.75 -4.52 121.20 123.65 1hml s ILE 55 Ca 0.39 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.51 1hml s ILE 55 Cb -0.12 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1hml s ILE 55 CO 0.84 0.10 0.95 -0.55 0.00 0.00 0.00 174.94 176.28 1hml s SER 56 N 1.03 7.63 0.00 3.58 0.15 -1.26 -1.09 113.70 123.74 1hml s SER 56 Ca 0.43 1.96 0.29 0.00 0.70 0.00 0.00 55.95 59.34 1hml s SER 56 Cb -0.18 -2.61 1.38 0.00 -1.71 0.00 0.00 66.02 62.89 1hml s SER 56 CO 0.18 0.15 1.94 -0.46 1.20 0.00 0.00 173.24 176.25 1hml n ASN 57 N 1.50 0.47 0.15 5.45 0.23 -0.68 -1.85 115.26 120.53 1hml n ASN 57 Ca -0.02 -0.76 -0.00 0.00 -0.53 0.00 0.00 54.58 53.27 1hml n ASN 57 Cb 0.47 -0.06 0.22 0.00 -2.08 0.00 0.00 39.78 38.33 1hml n ASN 57 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1hml h LYS 58 N 0.64 0.00 0.00 -3.83 1.63 -1.82 -3.43 116.57 109.76 1hml h LYS 58 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1hml h LYS 58 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1hml h LYS 58 CO 0.00 0.55 0.00 -0.11 -3.45 0.00 0.00 179.45 176.44 1hml n LEU 59 N -3.86 0.00 -0.05 5.20 7.94 -1.22 -4.33 117.00 120.68 1hml n LEU 59 Ca -0.01 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.77 1hml n LEU 59 Cb 0.56 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.37 1hml n LEU 59 CO 0.41 0.00 -0.83 0.79 -1.11 0.00 0.00 177.39 176.65 1hml n TRP 60 N -0.64 0.66 -4.25 1.96 7.02 -0.77 -1.65 117.44 119.76 1hml n TRP 60 Ca 0.00 0.21 -0.14 0.00 -1.02 0.00 0.00 57.50 56.55 1hml n TRP 60 Cb 0.00 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 27.68 1hml n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1hml s LYS 62 N -3.91 4.16 0.03 0.00 2.47 -0.28 -4.53 119.74 117.68 1hml s LYS 62 Ca 0.25 0.06 0.01 0.00 -1.56 0.00 0.00 55.97 54.72 1hml s LYS 62 Cb 0.06 -3.52 -0.02 0.00 -1.46 0.00 0.00 37.83 32.89 1hml s LYS 62 CO 0.05 0.04 -0.05 0.45 0.16 0.00 0.00 175.35 176.00 1hml s SER 63 N 0.94 0.48 0.54 1.43 0.15 -1.26 -1.39 113.70 114.59 1hml s SER 63 Ca 0.16 -0.47 0.35 0.00 0.70 0.00 0.00 55.95 56.69 1hml s SER 63 Cb -0.14 0.06 1.63 0.00 -1.71 0.00 0.00 66.02 65.86 1hml s SER 63 CO 0.06 -0.23 2.05 0.77 1.20 0.00 0.00 173.24 177.10 1hml h SER 64 N 4.74 0.00 -0.05 5.45 4.64 -1.99 -2.97 113.55 123.38 1hml h SER 64 Ca -0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 1hml h SER 64 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1hml h SER 64 CO 0.42 0.00 -0.24 -0.61 -0.87 0.00 0.00 176.83 175.53 1hml h GLN 65 N 0.00 0.46 -2.84 4.77 4.15 -1.98 -3.35 115.11 116.33 1hml h GLN 65 Ca 0.00 -0.17 -0.61 0.00 0.77 0.00 0.00 58.65 58.64 1hml h GLN 65 Cb 0.32 -0.03 -0.41 0.00 0.21 0.00 0.00 27.48 27.57 1hml h GLN 65 CO 0.00 0.68 -0.71 0.08 -1.93 0.00 0.00 178.83 176.95 1hml s VAL 66 N -4.51 2.02 0.63 2.39 1.01 -1.12 -4.96 120.40 115.86 1hml s VAL 66 Ca -0.07 -3.73 0.39 0.00 0.00 0.00 0.00 61.98 58.58 1hml s VAL 66 Cb 0.14 -2.34 0.41 0.00 0.00 0.00 0.00 36.38 34.59 1hml s VAL 66 CO 0.79 -1.08 2.32 1.55 0.00 0.00 0.00 175.10 178.68 1hml h PRO 67 N 5.48 0.00 -0.06 2.72 0.13 -1.71 -2.07 132.00 136.49 1hml h PRO 67 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1hml h PRO 67 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1hml h PRO 67 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1hml n GLN 68 N -3.36 1.31 -1.74 0.86 0.00 -1.26 -4.95 117.38 108.24 1hml n GLN 68 Ca -0.03 -0.46 -0.42 0.00 0.00 0.00 0.00 57.00 56.09 1hml n GLN 68 Cb 0.08 -1.35 -0.01 0.00 0.00 0.00 0.00 30.24 28.96 1hml n GLN 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1hml n SER 69 N -0.34 3.36 0.27 2.61 2.88 -0.78 -4.89 113.62 116.73 1hml n SER 69 Ca 0.16 1.21 0.17 0.00 -1.33 0.00 0.00 58.87 59.07 1hml n SER 69 Cb 0.18 -1.56 0.67 0.00 -0.75 0.00 0.00 64.21 62.75 1hml n SER 69 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1hml h ARG 70 N 3.12 0.00 -6.22 -1.46 3.08 -1.75 -3.47 114.38 107.67 1hml h ARG 70 Ca -0.48 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.13 1hml h ARG 70 Cb 1.26 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.36 1hml h ARG 70 CO 0.66 0.00 -0.90 -1.71 -1.07 0.00 0.00 179.97 176.95 1hml n ASN 71 N -3.05 -3.18 -0.12 7.04 5.15 -0.89 -4.86 115.26 115.34 1hml n ASN 71 Ca 0.01 -0.95 0.06 0.00 -0.60 0.00 0.00 54.58 53.10 1hml n ASN 71 Cb 0.31 -3.56 0.38 0.00 -0.53 0.00 0.00 39.78 36.38 1hml n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1hml h ILE 72 N -1.83 1.04 -0.00 -1.44 2.04 -1.29 -0.29 117.51 115.74 1hml h ILE 72 Ca -0.64 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1hml h ILE 72 Cb 1.36 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1hml h ILE 72 CO 0.53 0.12 -0.02 0.00 0.00 0.00 0.00 178.15 178.78 1hml n ASP 74 N -1.06 -5.01 -3.56 0.00 2.03 -0.12 -4.99 116.55 103.84 1hml n ASP 74 Ca 0.18 -0.98 -0.16 0.00 0.52 0.00 0.00 54.79 54.35 1hml n ASP 74 Cb 0.21 -3.59 -0.06 0.00 -0.72 0.00 0.00 41.12 36.96 1hml n ASP 74 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1hml s ILE 75 N -3.49 0.00 0.42 5.18 2.07 -1.26 -5.07 121.20 119.05 1hml s ILE 75 Ca 0.43 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.43 1hml s ILE 75 Cb -0.14 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.36 1hml s ILE 75 CO 0.85 0.00 1.08 -0.94 -1.91 0.00 0.00 174.94 174.02 1hml s SER 76 N -0.70 6.58 0.64 4.50 1.04 -1.26 -1.12 113.70 123.37 1hml s SER 76 Ca -0.07 2.11 0.42 0.00 0.48 0.00 0.00 55.95 58.89 1hml s SER 76 Cb -0.02 -2.59 2.14 0.00 0.10 0.00 0.00 66.02 65.66 1hml s SER 76 CO 0.06 -0.62 2.27 0.00 0.98 0.00 0.00 173.24 175.93 1hml h ASP 78 N 0.00 0.00 0.36 0.00 2.03 -1.91 -1.82 116.42 115.07 1hml h ASP 78 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1hml h ASP 78 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1hml h ASP 78 CO 0.00 0.07 0.00 0.29 -1.03 0.00 0.00 179.24 178.57 1hml n LYS 79 N -3.84 0.11 -0.26 4.15 4.76 -0.99 -1.97 118.16 120.12 1hml n LYS 79 Ca -0.02 0.46 0.10 0.00 -2.87 0.00 0.00 58.31 55.98 1hml n LYS 79 Cb 0.16 -1.75 0.27 0.00 -1.84 0.00 0.00 35.03 31.87 1hml n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1hml n PHE 80 N -1.96 0.69 0.19 2.13 3.72 -0.68 -4.09 117.46 117.45 1hml n PHE 80 Ca 0.01 -0.34 0.03 0.00 -0.05 0.00 0.00 57.45 57.10 1hml n PHE 80 Cb 0.12 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1hml n PHE 80 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1hml n LEU 81 N 1.23 1.59 0.00 4.37 4.77 -0.83 -3.55 117.00 124.59 1hml n LEU 81 Ca 0.20 -1.12 -0.11 0.00 -0.03 0.00 0.00 56.01 54.94 1hml n LEU 81 Cb 0.51 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1hml n LEU 81 CO 0.14 0.35 0.27 -0.90 -1.33 0.00 0.00 177.39 175.91 1hml n ASP 82 N 0.28 0.66 0.08 -1.43 5.68 -1.25 -4.60 116.55 115.97 1hml n ASP 82 Ca 0.04 -1.55 0.13 0.00 -0.50 0.00 0.00 54.79 52.90 1hml n ASP 82 Cb 0.17 -0.31 0.38 0.00 -1.14 0.00 0.00 41.12 40.22 1hml n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1hml n ASP 83 N -2.95 0.69 -4.49 -1.12 9.92 -1.26 -4.70 116.55 112.64 1hml n ASP 83 Ca 0.08 0.45 -0.43 0.00 -0.53 0.00 0.00 54.79 54.36 1hml n ASP 83 Cb 0.28 -0.54 -0.07 0.00 -0.64 0.00 0.00 41.12 40.15 1hml n ASP 83 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1hml s ASP 84 N -4.24 6.26 0.00 -2.24 2.15 -1.26 -4.93 116.67 112.42 1hml s ASP 84 Ca 0.10 -0.59 0.09 0.00 0.43 0.00 0.00 52.55 52.58 1hml s ASP 84 Cb 0.13 -2.29 0.27 0.00 -0.30 0.00 0.00 42.92 40.73 1hml s ASP 84 CO 0.62 -0.77 1.22 2.30 -0.17 0.00 0.00 175.17 178.36 1hml n ILE 85 N 5.69 0.34 -0.00 4.11 -5.35 -1.26 -4.30 119.36 118.58 1hml n ILE 85 Ca -0.04 -0.35 -0.11 0.00 -0.27 0.00 0.00 62.75 61.98 1hml n ILE 85 Cb 0.47 0.18 -0.06 0.00 -1.74 0.00 0.00 39.64 38.49 1hml n ILE 85 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1hml h THR 86 N 1.54 1.07 0.00 7.28 2.02 -1.97 -0.54 112.91 122.32 1hml h THR 86 Ca 0.00 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 1hml h THR 86 Cb 0.35 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1hml h THR 86 CO 0.00 0.06 -0.37 -2.24 0.37 0.00 0.00 175.52 173.34 1hml h ASP 87 N 0.06 0.00 -0.39 4.18 3.04 -1.93 -2.43 116.42 118.95 1hml h ASP 87 Ca 0.03 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.80 1hml h ASP 87 Cb 0.06 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.33 1hml h ASP 87 CO -0.01 0.37 0.16 0.44 -2.04 0.00 0.00 179.24 178.17 1hml h ASP 88 N 0.00 0.54 -0.87 4.15 5.19 -1.69 -1.89 116.42 121.86 1hml h ASP 88 Ca -0.00 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1hml h ASP 88 Cb 0.74 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.07 1hml h ASP 88 CO 0.05 0.56 0.49 0.40 -3.12 0.00 0.00 179.24 177.62 1hml h ILE 89 N 0.49 1.25 -0.62 0.35 2.04 -0.92 -0.41 117.51 119.68 1hml h ILE 89 Ca 0.13 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1hml h ILE 89 Cb 0.19 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1hml h ILE 89 CO -0.01 0.27 0.40 -0.03 0.00 0.00 0.00 178.15 178.78 1hml h MET 90 N 1.20 0.83 -0.29 2.37 4.05 -1.11 -0.50 114.93 121.48 1hml h MET 90 Ca 0.31 -0.06 -0.15 0.00 -0.28 0.00 0.00 59.70 59.52 1hml h MET 90 Cb 0.00 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.62 1hml h MET 90 CO -0.05 0.57 -0.39 0.00 0.23 0.00 0.00 176.91 177.26 1hml h ALA 92 N 0.69 1.41 -0.46 0.00 0.00 -0.71 -0.03 119.26 120.17 1hml h ALA 92 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1hml h ALA 92 Cb 0.98 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1hml h ALA 92 CO 0.09 0.43 0.00 0.87 0.00 0.00 0.00 179.25 180.64 1hml h LYS 93 N 1.16 0.75 -0.39 0.00 1.57 -0.97 0.38 116.57 119.08 1hml h LYS 93 Ca 0.44 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1hml h LYS 93 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1hml h LYS 93 CO -0.18 0.76 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.00 1hml h LYS 94 N 0.70 0.79 -0.35 3.15 3.64 -0.87 -0.38 116.57 123.26 1hml h LYS 94 Ca 0.14 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1hml h LYS 94 Cb 0.43 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1hml h LYS 94 CO 0.02 0.95 0.05 0.82 -2.27 0.00 0.00 179.45 179.02 1hml h ILE 95 N 0.68 1.24 -0.87 2.00 2.04 -0.61 -1.27 117.51 120.72 1hml h ILE 95 Ca 0.09 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1hml h ILE 95 Cb 0.76 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1hml h ILE 95 CO 0.06 0.28 0.58 -0.07 0.00 0.00 0.00 178.15 179.00 1hml h LEU 96 N 0.41 1.01 -0.25 1.44 3.38 -0.72 0.13 115.31 120.71 1hml h LEU 96 Ca 0.10 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1hml h LEU 96 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1hml h LEU 96 CO 0.01 0.73 -0.03 0.44 0.09 0.00 0.00 178.44 179.68 1hml h ASP 97 N 1.19 0.45 0.00 -0.43 3.32 -0.80 -3.07 116.42 117.08 1hml h ASP 97 Ca 0.32 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1hml h ASP 97 Cb -0.13 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1hml h ASP 97 CO -0.07 0.68 -0.58 0.40 -1.72 0.00 0.00 179.24 177.95 1hml h ILE 98 N 0.21 0.63 0.04 0.35 2.04 -1.05 -3.43 117.51 116.29 1hml h ILE 98 Ca 0.07 -1.64 -0.34 0.00 1.00 0.00 0.00 64.86 63.95 1hml h ILE 98 Cb 0.47 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1hml h ILE 98 CO 0.02 0.21 -1.91 1.17 0.00 0.00 0.00 178.15 177.64 1hml n LYS 99 N -4.58 0.64 0.00 2.37 3.00 0.21 -5.09 118.16 114.71 1hml n LYS 99 Ca -0.15 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 1hml n LYS 99 Cb 0.40 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.77 1hml n LYS 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hml n GLY 100 N 1.68 0.85 0.30 3.14 0.00 0.11 -4.73 105.19 106.55 1hml n GLY 100 Ca -0.39 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 43.64 1hml n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hml h ILE 101 N 0.00 0.57 0.00 -0.61 6.09 -1.87 -2.65 117.51 119.05 1hml h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1hml h ILE 101 Cb 0.00 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.26 1hml h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1hml n ASP 102 N -3.92 0.00 0.14 2.19 8.00 -1.26 -1.58 116.55 120.12 1hml n ASP 102 Ca -0.02 -0.42 0.04 0.00 0.71 0.00 0.00 54.79 55.10 1hml n ASP 102 Cb 0.13 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.69 1hml n ASP 102 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1hml h TYR 103 N 0.00 0.21 -3.34 1.24 3.20 -1.79 -3.37 116.97 113.12 1hml h TYR 103 Ca 0.00 -0.01 -0.73 0.00 3.14 0.00 0.00 58.73 61.12 1hml h TYR 103 Cb 0.00 -0.07 -0.24 0.00 1.54 0.00 0.00 36.73 37.96 1hml h TYR 103 CO 0.00 0.27 -0.37 -1.58 -1.64 0.00 0.00 178.16 174.84 1hml s TRP 104 N -4.90 3.27 0.52 -3.82 0.51 -0.61 -4.97 118.94 108.94 1hml s TRP 104 Ca -0.06 -1.12 0.22 0.00 -2.12 0.00 0.00 56.10 53.02 1hml s TRP 104 Cb 0.16 -3.13 1.34 0.00 -0.81 0.00 0.00 33.47 31.03 1hml s TRP 104 CO 0.72 -0.82 2.04 1.25 -0.51 0.00 0.00 176.95 179.62 1hml h LEU 105 N 8.65 0.02 -2.01 2.99 5.85 -1.84 -2.41 115.31 126.57 1hml h LEU 105 Ca -0.27 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1hml h LEU 105 Cb 1.10 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1hml h LEU 105 CO 0.85 0.01 -0.05 0.00 -0.34 0.00 0.00 178.44 178.92 1hml h ALA 106 N 1.80 1.81 0.70 1.25 0.00 -1.93 -3.08 119.26 119.80 1hml h ALA 106 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1hml h ALA 106 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1hml h ALA 106 CO -0.01 0.06 -0.36 1.25 0.00 0.00 0.00 179.25 180.19 1hml h HIS 107 N 0.00 -0.95 -0.17 0.00 -0.00 -1.75 -2.20 115.15 110.09 1hml h HIS 107 Ca -0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.22 1hml h HIS 107 Cb 0.09 0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1hml h HIS 107 CO 0.00 -0.57 -0.45 0.87 -0.00 0.00 0.00 177.93 177.78 1hml h LYS 108 N -0.98 0.41 -0.15 5.26 1.79 -1.77 -1.47 116.57 119.66 1hml h LYS 108 Ca -0.09 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.14 1hml h LYS 108 Cb 0.76 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1hml h LYS 108 CO 0.14 0.78 0.04 0.00 -1.08 0.00 0.00 179.45 179.33 1hml h ALA 109 N 1.18 0.20 0.00 3.86 0.00 -1.53 -3.41 119.26 119.56 1hml h ALA 109 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1hml h ALA 109 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1hml h ALA 109 CO 0.08 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.45 1hml n LEU 110 N -4.82 0.22 -0.99 0.00 4.77 -0.83 -4.91 117.00 110.43 1hml n LEU 110 Ca -0.05 -0.28 0.03 0.00 -0.03 0.00 0.00 56.01 55.68 1hml n LEU 110 Cb 0.16 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.48 1hml n LEU 110 CO 0.35 0.05 0.71 0.00 -1.33 0.00 0.00 177.39 177.18 1hml n THR 112 N -0.79 0.14 -4.12 0.00 -2.24 -1.24 -4.75 114.28 101.28 1hml n THR 112 Ca 0.26 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1hml n THR 112 Cb 0.96 1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 70.30 1hml n THR 112 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1hml s GLU 113 N -1.15 1.48 -1.29 -0.78 -1.05 -1.26 -4.91 118.70 109.74 1hml s GLU 113 Ca 0.18 -1.55 -0.03 0.00 -0.15 0.00 0.00 54.97 53.42 1hml s GLU 113 Cb 0.12 0.37 -0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1hml s GLU 113 CO 0.18 -0.57 0.67 1.63 0.95 0.00 0.00 175.26 178.13 1hml n LYS 114 N -0.38 -4.00 0.09 -4.83 5.02 -1.26 -4.92 118.16 107.87 1hml n LYS 114 Ca 0.01 0.57 0.12 0.00 -2.02 0.00 0.00 58.31 56.99 1hml n LYS 114 Cb 0.64 -4.95 0.15 0.00 -0.02 0.00 0.00 35.03 30.84 1hml n LYS 114 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1hml h LEU 115 N -1.83 0.00 -1.44 -0.35 -0.00 -1.94 -3.38 115.31 106.37 1hml h LEU 115 Ca -0.62 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.13 1hml h LEU 115 Cb 1.36 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.00 1hml h LEU 115 CO 0.56 0.06 0.25 -0.33 -0.00 0.00 0.00 178.44 178.98 1hml h GLU 116 N 0.00 0.62 -0.04 1.13 5.08 -1.99 -2.39 114.58 117.00 1hml h GLU 116 Ca 0.00 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1hml h GLU 116 Cb 0.83 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1hml h GLU 116 CO 0.00 0.46 0.10 -0.56 -1.00 0.00 0.00 179.01 178.01 1hml h GLN 117 N 0.63 0.00 -0.01 2.33 3.07 -1.99 -1.48 115.11 117.67 1hml h GLN 117 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1hml h GLN 117 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1hml h GLN 117 CO -0.03 0.00 -0.21 0.91 0.09 0.00 0.00 178.83 179.59 1hml n TRP 118 N -3.35 0.00 -2.69 0.06 7.02 -0.90 -4.91 117.44 112.67 1hml n TRP 118 Ca -0.02 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.12 1hml n TRP 118 Cb 0.18 -0.12 -0.05 0.00 -2.42 0.00 0.00 31.31 28.90 1hml n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1hml s LEU 119 N -2.45 3.96 -0.08 -0.99 1.43 -0.56 -4.76 118.68 115.24 1hml s LEU 119 Ca 0.26 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 55.22 1hml s LEU 119 Cb 0.19 -4.47 0.01 0.00 0.03 0.00 0.00 46.19 41.96 1hml s LEU 119 CO 0.50 -0.50 -0.17 0.00 0.23 0.00 0.00 176.35 176.40 1hml h GLU 121 N 6.86 0.00 -1.58 0.00 4.81 -1.99 -3.50 114.58 119.17 1hml h GLU 121 Ca -0.26 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1hml h GLU 121 Cb 1.21 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.35 1hml h GLU 121 CO 0.47 0.55 0.52 0.21 -0.73 0.00 0.00 179.01 180.03 1hml s LYS 122 N -2.27 0.59 0.00 1.92 2.20 -1.26 -5.22 119.74 115.70 1hml s LYS 122 Ca -0.21 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1hml s LYS 122 Cb 0.04 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1hml s LYS 122 CO 0.42 -0.17 0.44 -0.11 -0.36 0.00 0.00 175.35 175.58