#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyx h ILE 5 N 0.00 0.89 -0.47 5.18 2.04 -2.05 0.87 117.51 123.97 3lyx h ILE 5 Ca 0.00 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3lyx h ILE 5 Cb 0.00 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3lyx h ILE 5 CO 0.00 0.10 0.00 0.25 0.00 0.00 0.00 178.15 178.50 3lyx h LEU 6 N 0.53 0.81 -0.45 1.44 5.85 -2.05 -2.44 115.31 118.99 3lyx h LEU 6 Ca 0.28 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3lyx h LEU 6 Cb 0.25 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3lyx h LEU 6 CO -0.22 0.92 0.22 0.50 -0.34 0.00 0.00 178.44 179.52 3lyx h LYS 7 N 0.68 0.43 -0.44 1.25 3.64 -1.66 -1.72 116.57 118.75 3lyx h LYS 7 Ca 0.13 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3lyx h LYS 7 Cb 0.50 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3lyx h LYS 7 CO 0.02 0.29 -0.09 1.96 -2.27 0.00 0.00 179.45 179.36 3lyx h GLN 8 N 0.45 0.78 -0.69 1.90 1.08 -0.76 -1.45 115.11 116.42 3lyx h GLN 8 Ca 0.20 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 3lyx h GLN 8 Cb 0.11 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3lyx h GLN 8 CO -0.14 0.85 0.23 0.00 -0.95 0.00 0.00 178.83 178.81 3lyx h ARG 9 N 0.71 1.06 0.00 1.46 3.08 -1.08 -2.56 114.38 117.06 3lyx h ARG 9 Ca 0.12 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3lyx h ARG 9 Cb 0.56 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3lyx h ARG 9 CO 0.03 0.89 -0.36 0.00 -1.07 0.00 0.00 179.97 179.47 3lyx h ALA 10 N 1.22 1.10 -0.19 0.04 0.00 -0.81 -3.13 119.26 117.50 3lyx h ALA 10 Ca 0.23 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3lyx h ALA 10 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3lyx h ALA 10 CO -0.01 0.45 -0.21 -0.22 0.00 0.00 0.00 179.25 179.26 3lyx h LYS 11 N 0.00 0.33 0.00 0.00 3.64 -0.84 -2.44 116.57 117.25 3lyx h LYS 11 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3lyx h LYS 11 Cb 0.80 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3lyx h LYS 11 CO 0.05 0.53 0.06 0.00 -2.27 0.00 0.00 179.45 177.82 3lyx h ALA 12 N 1.48 1.05 -0.45 5.00 0.00 -1.54 -3.23 119.26 121.58 3lyx h ALA 12 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3lyx h ALA 12 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 3lyx h ALA 12 CO 0.04 -0.05 -0.45 0.35 0.00 0.00 0.00 179.25 179.14 3lyx h PHE 13 N 0.00 -1.39 -0.24 0.00 3.57 -1.63 -1.39 116.94 115.86 3lyx h PHE 13 Ca 0.00 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3lyx h PHE 13 Cb 0.12 0.66 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 3lyx h PHE 13 CO 0.00 -0.36 0.06 -0.25 -2.23 0.00 0.00 178.31 175.52 3lyx n ASP 14 N -4.79 2.82 0.00 0.41 8.00 -1.22 -3.81 116.55 117.96 3lyx n ASP 14 Ca -0.02 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 53.10 3lyx n ASP 14 Cb 0.25 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3lyx n ASP 14 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3lyx n TYR 15 N 0.15 0.00 -1.67 1.24 4.01 -0.60 -4.71 117.16 115.57 3lyx n TYR 15 Ca 0.13 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.54 3lyx n TYR 15 Cb 0.67 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.75 3lyx n TYR 15 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3lyx s VAL 16 N -1.79 3.16 0.10 -0.72 -7.23 -0.77 -4.95 120.40 108.20 3lyx s VAL 16 Ca 0.00 0.52 0.08 0.00 -1.81 0.00 0.00 61.98 60.77 3lyx s VAL 16 Cb 0.00 -3.04 -0.19 0.00 0.56 0.00 0.00 36.38 33.71 3lyx s VAL 16 CO 0.00 -0.35 1.30 0.15 -0.31 0.00 0.00 175.10 175.89 3lyx h PHE 17 N -0.12 0.00 -3.95 2.82 3.57 -1.93 -3.38 116.94 113.96 3lyx h PHE 17 Ca -0.46 0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.50 3lyx h PHE 17 Cb 1.25 0.00 0.10 0.00 2.79 0.00 0.00 35.95 40.09 3lyx h PHE 17 CO 0.54 0.96 0.73 -0.51 -2.23 0.00 0.00 178.31 177.80 3lyx s ASP 18 N -6.70 6.28 -0.36 0.41 1.11 -1.26 -4.71 116.67 111.44 3lyx s ASP 18 Ca 0.01 2.94 -0.22 0.00 0.18 0.00 0.00 52.55 55.46 3lyx s ASP 18 Cb 0.10 -2.66 0.01 0.00 1.07 0.00 0.00 42.92 41.44 3lyx s ASP 18 CO 0.81 -0.90 0.72 0.00 1.18 0.00 0.00 175.17 176.98 3lyx s ALA 19 N -1.16 3.44 -0.23 5.23 0.00 0.23 -4.35 121.76 124.93 3lyx s ALA 19 Ca 0.55 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 3lyx s ALA 19 Cb -0.44 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3lyx s ALA 19 CO 0.59 -1.44 0.14 0.42 0.00 0.00 0.00 175.76 175.47 3lyx s ILE 20 N 2.94 5.24 -0.17 0.00 -1.09 -1.26 -0.59 121.20 126.27 3lyx s ILE 20 Ca 0.28 0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 3lyx s ILE 20 Cb -0.14 -3.43 0.03 0.00 -1.58 0.00 0.00 42.46 37.34 3lyx s ILE 20 CO 0.16 0.36 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.41 3lyx s VAL 21 N 0.98 1.62 -0.19 2.92 1.01 0.35 -2.95 120.40 124.14 3lyx s VAL 21 Ca 0.07 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3lyx s VAL 21 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3lyx s VAL 21 CO 0.04 0.36 0.06 -0.69 0.00 0.00 0.00 175.10 174.86 3lyx s VAL 22 N 1.44 4.74 0.22 2.92 1.01 -0.63 0.05 120.40 130.16 3lyx s VAL 22 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3lyx s VAL 22 Cb -0.14 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3lyx s VAL 22 CO -0.10 0.45 -0.12 0.42 0.00 0.00 0.00 175.10 175.75 3lyx s THR 23 N 0.46 1.72 0.53 3.92 -4.23 -0.00 0.13 115.64 118.17 3lyx s THR 23 Ca 0.03 -2.19 0.07 0.00 -1.18 0.00 0.00 61.69 58.42 3lyx s THR 23 Cb -0.13 -2.15 0.09 0.00 1.34 0.00 0.00 72.50 71.66 3lyx s THR 23 CO 0.01 -0.52 0.73 -0.90 -0.54 0.00 0.00 174.62 173.40 3lyx n ASP 24 N -0.43 1.75 0.26 3.99 5.75 -0.76 -0.84 116.55 126.27 3lyx n ASP 24 Ca -0.07 -2.30 0.08 0.00 -0.01 0.00 0.00 54.79 52.49 3lyx n ASP 24 Cb 0.61 -0.40 0.64 0.00 -1.03 0.00 0.00 41.12 40.93 3lyx n ASP 24 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3lyx h LEU 25 N 0.00 0.00 -0.42 -2.12 3.38 -1.89 -0.50 115.31 113.76 3lyx h LEU 25 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3lyx h LEU 25 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3lyx h LEU 25 CO 0.34 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3lyx n GLN 26 N -4.48 1.27 -0.99 1.13 1.13 -1.26 -4.88 117.38 109.29 3lyx n GLN 26 Ca -0.03 -0.41 0.00 0.00 -1.94 0.00 0.00 57.00 54.62 3lyx n GLN 26 Cb 0.11 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.20 3lyx n GLN 26 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3lyx n GLY 27 N 0.85 0.44 3.74 1.08 0.00 -0.20 -4.97 105.19 106.12 3lyx n GLY 27 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3lyx n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lyx s PHE 28 N -1.95 3.66 0.05 1.61 0.08 -1.26 -1.32 117.98 118.84 3lyx s PHE 28 Ca 0.00 1.31 -0.30 0.00 0.12 0.00 0.00 56.93 58.06 3lyx s PHE 28 Cb 0.00 -2.76 -0.08 0.00 -0.57 0.00 0.00 43.02 39.60 3lyx s PHE 28 CO 0.00 0.21 1.77 0.42 -0.10 0.00 0.00 175.22 177.53 3lyx s ILE 29 N 0.28 3.02 -0.19 0.64 1.01 -0.51 -1.84 121.20 123.62 3lyx s ILE 29 Ca 0.36 0.31 0.07 0.00 0.00 0.00 0.00 60.65 61.39 3lyx s ILE 29 Cb -0.19 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.99 3lyx s ILE 29 CO 0.19 -0.01 0.23 2.30 0.00 0.00 0.00 174.94 177.65 3lyx n ILE 30 N 5.08 0.00 -3.76 2.92 -5.35 0.12 -1.00 119.36 117.37 3lyx n ILE 30 Ca 0.18 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 3lyx n ILE 30 Cb 0.41 0.72 -0.08 0.00 -1.74 0.00 0.00 39.64 38.94 3lyx n ILE 30 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3lyx s ASP 31 N -2.13 -0.18 -0.19 7.28 -1.08 -1.05 -4.98 116.67 114.34 3lyx s ASP 31 Ca 0.00 0.03 -0.13 0.00 -0.52 0.00 0.00 52.55 51.93 3lyx s ASP 31 Cb 0.05 0.32 0.06 0.00 -1.46 0.00 0.00 42.92 41.88 3lyx s ASP 31 CO 0.28 -0.48 0.49 0.86 0.52 0.00 0.00 175.17 176.84 3lyx s TRP 32 N -1.55 -0.65 0.48 -5.34 -0.11 -1.26 -1.60 118.94 108.90 3lyx s TRP 32 Ca -0.12 1.44 0.07 0.00 1.22 0.00 0.00 56.10 58.71 3lyx s TRP 32 Cb -0.04 0.29 0.01 0.00 -1.50 0.00 0.00 33.47 32.24 3lyx s TRP 32 CO 0.03 -0.34 0.47 0.54 -4.62 0.00 0.00 176.95 173.03 3lyx s ASN 33 N 1.01 5.00 0.44 5.86 4.22 -1.15 -4.88 114.94 125.43 3lyx s ASN 33 Ca -0.06 -0.86 0.14 0.00 -2.14 0.00 0.00 52.86 49.93 3lyx s ASN 33 Cb -0.06 -0.18 0.97 0.00 1.28 0.00 0.00 41.25 43.26 3lyx s ASN 33 CO -0.09 -0.89 1.99 0.11 -2.04 0.00 0.00 177.10 176.18 3lyx h LYS 34 N 0.79 0.04 -0.65 3.55 1.57 -1.84 -2.01 116.57 118.01 3lyx h LYS 34 Ca -0.38 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3lyx h LYS 34 Cb 1.28 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 3lyx h LYS 34 CO 0.54 0.21 0.27 0.78 -0.57 0.00 0.00 179.45 180.67 3lyx h GLY 35 N 0.56 1.02 1.64 3.86 0.00 -1.76 -1.67 103.07 106.72 3lyx h GLY 35 Ca 0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 3lyx h GLY 35 CO 0.02 0.49 -0.47 1.76 0.00 0.00 0.00 176.54 178.35 3lyx h SER 36 N 0.94 0.43 -0.41 0.19 0.02 -1.60 -1.24 113.55 111.87 3lyx h SER 36 Ca 0.22 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3lyx h SER 36 Cb 0.17 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3lyx h SER 36 CO -0.02 0.83 0.11 -0.08 -1.14 0.00 0.00 176.83 176.53 3lyx h GLU 37 N 0.32 0.72 -0.04 3.45 4.81 -0.89 -0.31 114.58 122.64 3lyx h GLU 37 Ca 0.02 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 3lyx h GLU 37 Cb 0.95 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.22 3lyx h GLU 37 CO 0.08 0.66 -0.28 1.15 -0.73 0.00 0.00 179.01 179.89 3lyx h THR 38 N 0.70 1.46 -0.11 0.32 2.02 -0.95 -0.44 112.91 115.92 3lyx h THR 38 Ca 0.16 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 3lyx h THR 38 Cb 0.27 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 69.14 3lyx h THR 38 CO -0.00 0.50 -0.03 0.25 0.37 0.00 0.00 175.52 176.60 3lyx h LEU 39 N -0.30 0.21 0.00 2.58 5.85 -1.11 -3.36 115.31 119.19 3lyx h LEU 39 Ca -0.02 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 3lyx h LEU 39 Cb 0.95 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3lyx h LEU 39 CO 0.06 0.55 -1.80 -1.22 -0.34 0.00 0.00 178.44 175.68 3lyx n TYR 40 N -4.75 0.37 0.00 1.25 4.01 -0.14 -4.91 117.16 112.99 3lyx n TYR 40 Ca -0.06 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3lyx n TYR 40 Cb 0.25 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.47 3lyx n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lyx n GLY 41 N 1.38 3.03 3.76 2.72 0.00 -0.17 -0.56 105.19 115.34 3lyx n GLY 41 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3lyx n GLY 41 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3lyx s TYR 42 N -2.66 3.30 0.70 1.61 2.02 -1.26 -4.92 117.35 116.14 3lyx s TYR 42 Ca 0.00 1.46 -0.11 0.00 -0.37 0.00 0.00 57.07 58.05 3lyx s TYR 42 Cb 0.00 -3.51 0.01 0.00 -0.40 0.00 0.00 41.96 38.05 3lyx s TYR 42 CO 0.00 -1.39 1.08 -1.54 -1.57 0.00 0.00 175.55 172.13 3lyx s SER 43 N -0.36 5.50 0.18 2.29 1.04 -1.26 -4.11 113.70 116.98 3lyx s SER 43 Ca 0.50 1.26 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 3lyx s SER 43 Cb -0.36 -2.11 0.18 0.00 0.10 0.00 0.00 66.02 63.83 3lyx s SER 43 CO 0.44 -1.32 1.73 0.50 0.98 0.00 0.00 173.24 175.57 3lyx h LYS 44 N -0.64 0.25 0.00 4.02 3.64 -1.92 -1.33 116.57 120.60 3lyx h LYS 44 Ca -0.45 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3lyx h LYS 44 Cb 1.24 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3lyx h LYS 44 CO 0.62 0.17 -0.05 0.93 -2.27 0.00 0.00 179.45 178.85 3lyx h GLU 45 N 0.26 0.00 0.22 1.90 3.07 -1.94 -1.96 114.58 116.13 3lyx h GLU 45 Ca 0.24 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.75 3lyx h GLU 45 Cb 0.30 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.24 3lyx h GLU 45 CO -0.30 0.05 -1.63 1.96 -1.40 0.00 0.00 179.01 177.70 3lyx h GLN 46 N 0.00 0.46 -0.21 2.33 4.20 -1.65 -3.37 115.11 116.87 3lyx h GLN 46 Ca -0.00 -0.79 -0.20 0.00 0.06 0.00 0.00 58.65 57.72 3lyx h GLN 46 Cb 0.10 0.29 0.01 0.00 0.30 0.00 0.00 27.48 28.18 3lyx h GLN 46 CO 0.01 1.38 -0.65 0.00 -0.67 0.00 0.00 178.83 178.89 3lyx h ALA 47 N 0.14 0.36 -2.57 3.87 0.00 -1.08 -3.43 119.26 116.55 3lyx h ALA 47 Ca -0.30 -0.55 -0.54 0.00 0.00 0.00 0.00 54.91 53.52 3lyx h ALA 47 Cb 2.13 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 19.94 3lyx h ALA 47 CO 0.22 0.65 0.96 -0.89 0.00 0.00 0.00 179.25 180.19 3lyx n ILE 48 N -4.00 0.04 0.00 0.00 2.08 -0.76 -1.68 119.36 115.04 3lyx n ILE 48 Ca -0.06 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.24 3lyx n ILE 48 Cb 0.68 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.68 3lyx n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3lyx n GLY 49 N 3.79 2.08 3.87 7.39 0.00 -0.17 -4.98 105.19 117.17 3lyx n GLY 49 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3lyx n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lyx s GLN 50 N -0.70 3.85 0.25 1.61 -1.52 -0.68 -4.76 119.66 117.70 3lyx s GLN 50 Ca 0.00 0.36 -0.30 0.00 -1.95 0.00 0.00 55.36 53.46 3lyx s GLN 50 Cb 0.00 -2.64 -0.10 0.00 -0.22 0.00 0.00 33.01 30.05 3lyx s GLN 50 CO 0.00 0.31 1.46 -1.25 -0.25 0.00 0.00 175.29 175.56 3lyx s PRO 51 N -2.76 4.25 0.49 2.91 0.04 -1.26 -1.43 135.00 137.24 3lyx s PRO 51 Ca 0.48 2.33 0.14 0.00 0.04 0.00 0.00 61.00 63.99 3lyx s PRO 51 Cb -0.11 -3.10 1.15 0.00 0.04 0.00 0.00 34.50 32.47 3lyx s PRO 51 CO 0.20 -0.45 2.10 -0.24 0.04 0.00 0.00 177.00 178.66 3lyx h VAL 52 N 3.55 1.04 0.00 -0.36 3.04 -1.55 -1.35 116.25 120.62 3lyx h VAL 52 Ca -0.46 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3lyx h VAL 52 Cb 1.22 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3lyx h VAL 52 CO 0.78 0.06 0.00 -0.46 -1.01 0.00 0.00 177.57 176.94 3lyx n ASN 53 N -4.48 0.36 0.31 3.17 6.94 -1.26 -0.81 115.26 119.48 3lyx n ASN 53 Ca -0.02 0.66 0.18 0.00 -0.02 0.00 0.00 54.58 55.38 3lyx n ASN 53 Cb 0.12 -0.71 1.02 0.00 -2.36 0.00 0.00 39.78 37.85 3lyx n ASN 53 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 3lyx h MET 54 N 0.00 0.00 -0.00 -3.83 4.05 -1.62 -0.77 114.93 112.76 3lyx h MET 54 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3lyx h MET 54 Cb 0.04 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3lyx h MET 54 CO 0.00 0.00 -0.01 1.28 0.23 0.00 0.00 176.91 178.41 3lyx n LEU 55 N -3.57 0.01 -4.93 3.39 4.77 0.00 -4.83 117.00 111.85 3lyx n LEU 55 Ca -0.03 0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 3lyx n LEU 55 Cb 0.10 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 3lyx n LEU 55 CO 0.25 0.00 0.37 -1.00 -1.33 0.00 0.00 177.39 175.68 3lyx s HIS 56 N -2.93 3.38 -0.19 -1.77 3.76 -0.30 -0.92 115.29 116.32 3lyx s HIS 56 Ca 0.16 0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 55.30 3lyx s HIS 56 Cb 0.19 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3lyx s HIS 56 CO 0.52 -0.35 1.05 0.08 -0.85 0.00 0.00 174.74 175.19 3lyx s VAL 57 N -2.67 4.67 0.32 -0.90 1.01 -1.26 -4.50 120.40 117.06 3lyx s VAL 57 Ca 0.48 1.99 0.13 0.00 0.00 0.00 0.00 61.98 64.57 3lyx s VAL 57 Cb -0.10 -4.28 0.35 0.00 0.00 0.00 0.00 36.38 32.35 3lyx s VAL 57 CO 0.41 -0.12 1.45 -2.65 0.00 0.00 0.00 175.10 174.19 3lyx n PRO 58 N 5.94 -0.06 0.29 2.72 -0.02 -1.26 -0.05 135.00 142.56 3lyx n PRO 58 Ca 0.11 1.31 0.17 0.00 -2.02 0.00 0.00 63.50 63.07 3lyx n PRO 58 Cb 0.47 -2.25 0.90 0.00 -0.02 0.00 0.00 33.50 32.60 3lyx n PRO 58 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3lyx h GLY 59 N 0.00 0.00 0.97 -1.23 0.00 -2.01 -2.97 103.07 97.84 3lyx h GLY 59 Ca 0.70 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.92 3lyx h GLY 59 CO -0.77 0.00 -1.29 1.22 0.00 0.00 0.00 176.54 175.70 3lyx n ASP 60 N -3.42 0.84 -0.30 0.19 8.00 0.92 -4.58 116.55 118.21 3lyx n ASP 60 Ca -0.02 0.36 0.02 0.00 0.71 0.00 0.00 54.79 55.86 3lyx n ASP 60 Cb 0.17 0.28 0.09 0.00 -0.02 0.00 0.00 41.12 41.65 3lyx n ASP 60 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3lyx h THR 61 N 0.00 0.14 -0.05 -3.53 2.02 -1.49 -1.41 112.91 108.60 3lyx h THR 61 Ca -0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3lyx h THR 61 Cb 1.39 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3lyx h THR 61 CO 0.03 0.00 -0.09 -0.08 0.37 0.00 0.00 175.52 175.75 3lyx h GLU 62 N -0.02 -0.13 -0.05 6.66 4.81 -1.81 0.06 114.58 124.11 3lyx h GLU 62 Ca 0.38 0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 3lyx h GLU 62 Cb 0.61 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3lyx h GLU 62 CO -0.86 -0.09 -0.77 0.45 -0.73 0.00 0.00 179.01 177.01 3lyx h HIS 63 N -0.13 0.48 -0.13 0.92 3.86 -1.81 -2.63 115.15 115.70 3lyx h HIS 63 Ca 0.05 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 3lyx h HIS 63 Cb 0.20 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 3lyx h HIS 63 CO -0.18 0.99 0.01 0.82 0.86 0.00 0.00 177.93 180.44 3lyx h ILE 64 N 0.22 1.23 -0.52 2.45 1.08 -1.15 -1.45 117.51 119.37 3lyx h ILE 64 Ca -0.04 -0.73 0.01 0.00 -0.39 0.00 0.00 64.86 63.72 3lyx h ILE 64 Cb 1.36 1.47 -0.03 0.00 -3.07 0.00 0.00 36.82 36.55 3lyx h ILE 64 CO 0.13 0.21 0.33 0.74 -0.69 0.00 0.00 178.15 178.87 3lyx h THR 65 N -0.03 1.10 -0.17 -0.27 2.02 -0.98 0.17 112.91 114.75 3lyx h THR 65 Ca 0.04 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 66.87 3lyx h THR 65 Cb 0.31 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3lyx h THR 65 CO 0.00 0.12 -0.42 0.77 0.37 0.00 0.00 175.52 176.37 3lyx h SER 66 N 0.67 0.41 -0.29 4.18 4.64 -1.46 -1.01 113.55 120.70 3lyx h SER 66 Ca 0.20 -0.18 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3lyx h SER 66 Cb -0.04 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3lyx h SER 66 CO -0.06 0.78 -0.35 -0.08 -0.87 0.00 0.00 176.83 176.25 3lyx h GLU 67 N 0.32 0.82 -0.08 4.77 4.81 -0.68 -1.95 114.58 122.58 3lyx h GLU 67 Ca 0.03 -0.41 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3lyx h GLU 67 Cb 0.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 3lyx h GLU 67 CO 0.07 1.04 -0.10 0.28 -0.73 0.00 0.00 179.01 179.58 3lyx h VAL 68 N 0.68 1.37 -0.83 0.32 2.07 -0.54 -2.44 116.25 116.89 3lyx h VAL 68 Ca 0.06 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.34 3lyx h VAL 68 Cb 0.91 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 3lyx h VAL 68 CO 0.08 0.36 0.55 0.40 0.02 0.00 0.00 177.57 178.98 3lyx h ILE 69 N -0.22 1.11 0.09 4.57 2.04 -1.19 -0.99 117.51 122.92 3lyx h ILE 69 Ca 0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3lyx h ILE 69 Cb 0.62 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3lyx h ILE 69 CO 0.02 0.18 -0.04 -1.28 0.00 0.00 0.00 178.15 177.04 3lyx h SER 70 N 1.01 -0.10 -0.44 1.72 0.87 -1.34 -2.32 113.55 112.95 3lyx h SER 70 Ca 0.34 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3lyx h SER 70 Cb 0.08 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3lyx h SER 70 CO -0.11 0.27 0.25 0.00 -0.53 0.00 0.00 176.83 176.72 3lyx h ALA 71 N 0.38 0.56 -0.83 6.23 0.00 -1.21 0.53 119.26 124.92 3lyx h ALA 71 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3lyx h ALA 71 Cb 0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3lyx h ALA 71 CO 0.02 0.07 0.40 0.28 0.00 0.00 0.00 179.25 180.02 3lyx h VAL 72 N 0.57 1.26 0.00 0.00 2.07 -1.25 0.56 116.25 119.46 3lyx h VAL 72 Ca 0.16 -0.71 -0.15 0.00 0.82 0.00 0.00 66.70 66.82 3lyx h VAL 72 Cb 0.03 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3lyx h VAL 72 CO -0.03 0.31 -0.70 -0.33 0.02 0.00 0.00 177.57 176.84 3lyx h GLU 73 N 1.18 0.00 0.00 1.57 5.08 -1.19 -2.70 114.58 118.52 3lyx h GLU 73 Ca 0.29 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.34 3lyx h GLU 73 Cb 0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3lyx h GLU 73 CO -0.04 0.70 -2.15 0.09 -1.00 0.00 0.00 179.01 176.61 3lyx n ASN 74 N -3.32 2.30 -0.00 1.42 4.13 0.16 -4.66 115.26 115.28 3lyx n ASN 74 Ca 0.01 -0.10 0.08 0.00 1.68 0.00 0.00 54.58 56.25 3lyx n ASN 74 Cb 0.80 -0.21 -0.11 0.00 -1.54 0.00 0.00 39.78 38.71 3lyx n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3lyx n GLN 75 N -3.05 1.05 -0.83 3.52 3.00 0.17 -4.98 117.38 116.26 3lyx n GLN 75 Ca -0.35 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 3lyx n GLN 75 Cb 0.90 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.79 3lyx n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3lyx n GLY 76 N 1.44 0.85 3.64 1.08 0.00 0.08 -4.97 105.19 107.30 3lyx n GLY 76 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3lyx n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lyx s LYS 77 N -0.17 0.62 -0.02 1.61 2.20 -1.16 -4.27 119.74 118.55 3lyx s LYS 77 Ca 0.00 0.77 0.06 0.00 -0.36 0.00 0.00 55.97 56.44 3lyx s LYS 77 Cb 0.00 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 3lyx s LYS 77 CO 0.00 -0.08 -0.20 -0.46 -0.36 0.00 0.00 175.35 174.25 3lyx s TRP 78 N 0.40 2.50 -0.01 4.03 -0.00 -0.55 -4.33 118.94 120.98 3lyx s TRP 78 Ca 0.01 -0.30 -0.03 0.00 -0.00 0.00 0.00 56.10 55.77 3lyx s TRP 78 Cb -0.05 -1.55 0.00 0.00 -0.00 0.00 0.00 33.47 31.87 3lyx s TRP 78 CO -0.05 0.09 0.07 0.95 -0.00 0.00 0.00 176.95 178.01 3lyx s THR 79 N -0.69 0.04 -0.04 5.86 -4.23 -1.26 -0.73 115.64 114.58 3lyx s THR 79 Ca 0.11 -0.30 -0.31 0.00 -1.18 0.00 0.00 61.69 60.02 3lyx s THR 79 Cb -0.10 -0.20 0.13 0.00 1.34 0.00 0.00 72.50 73.67 3lyx s THR 79 CO 0.00 -0.16 1.33 -0.83 -0.54 0.00 0.00 174.62 174.42 3lyx s GLY 80 N -0.49 -0.43 -0.33 3.99 0.00 -0.48 -5.01 107.32 104.57 3lyx s GLY 80 Ca -0.06 0.75 -0.06 0.00 0.00 0.00 0.00 44.72 45.36 3lyx s GLY 80 CO 0.00 0.32 0.09 -0.54 0.00 0.00 0.00 173.10 172.97 3lyx s GLU 81 N -2.29 2.62 0.26 2.90 2.02 -1.26 -0.63 118.70 122.31 3lyx s GLU 81 Ca 0.15 -1.17 0.04 0.00 0.02 0.00 0.00 54.97 54.01 3lyx s GLU 81 Cb 0.06 -3.42 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 3lyx s GLU 81 CO -0.05 -0.65 -0.01 0.96 0.02 0.00 0.00 175.26 175.53 3lyx s ILE 82 N 1.39 1.24 0.62 -1.63 -0.00 -0.94 -4.98 121.20 116.91 3lyx s ILE 82 Ca -0.02 -2.06 -0.11 0.00 -0.00 0.00 0.00 60.65 58.46 3lyx s ILE 82 Cb -0.19 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.46 39.80 3lyx s ILE 82 CO 0.02 -0.28 1.03 -0.13 -0.00 0.00 0.00 174.94 175.58 3lyx s ARG 83 N -3.82 3.56 0.06 0.37 0.52 -1.26 -1.23 118.95 117.13 3lyx s ARG 83 Ca 0.30 0.78 0.05 0.00 -0.52 0.00 0.00 55.73 56.33 3lyx s ARG 83 Cb 0.05 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 3lyx s ARG 83 CO 0.10 -0.60 -0.13 0.00 0.02 0.00 0.00 175.30 174.69 3lyx s MET 84 N -5.10 0.82 -0.28 3.54 0.23 0.12 -4.54 119.30 114.08 3lyx s MET 84 Ca 0.56 -0.85 -0.05 0.00 -1.03 0.00 0.00 55.69 54.32 3lyx s MET 84 Cb -0.11 -0.80 0.01 0.00 -1.53 0.00 0.00 34.83 32.40 3lyx s MET 84 CO 0.53 0.19 0.04 -1.17 -2.03 0.00 0.00 175.02 172.57 3lyx s LEU 85 N -1.47 3.63 0.86 0.18 2.96 -0.10 -1.60 118.68 123.15 3lyx s LEU 85 Ca -0.01 -0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 53.05 3lyx s LEU 85 Cb -0.09 -1.82 0.11 0.00 0.50 0.00 0.00 46.19 44.89 3lyx s LEU 85 CO 0.02 -0.16 1.09 -2.28 -1.32 0.00 0.00 176.35 173.69 3lyx s HIS 86 N 1.45 2.46 0.33 5.38 5.65 -0.50 -4.76 115.29 125.31 3lyx s HIS 86 Ca 0.02 1.25 0.02 0.00 0.25 0.00 0.00 55.06 56.60 3lyx s HIS 86 Cb -0.17 -3.14 0.56 0.00 -1.18 0.00 0.00 32.58 28.65 3lyx s HIS 86 CO 0.00 -2.20 1.91 -0.22 -0.65 0.00 0.00 174.74 173.58 3lyx h LYS 87 N -1.40 0.71 0.00 2.88 1.63 -1.16 -2.53 116.57 116.70 3lyx h LYS 87 Ca -0.48 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 3lyx h LYS 87 Cb 1.28 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 3lyx h LYS 87 CO 0.56 0.60 -0.10 -0.40 -3.45 0.00 0.00 179.45 176.66 3lyx n ASP 88 N -4.34 0.55 0.00 4.20 5.68 -1.26 -4.94 116.55 116.44 3lyx n ASP 88 Ca 0.04 0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 3lyx n ASP 88 Cb 0.17 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 3lyx n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lyx n GLY 89 N 1.38 1.47 3.85 6.12 0.00 -0.95 -5.11 105.19 111.94 3lyx n GLY 89 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3lyx n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3lyx s HIS 90 N -2.06 3.48 0.04 1.61 -3.43 -1.26 -4.75 115.29 108.93 3lyx s HIS 90 Ca 0.00 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.68 3lyx s HIS 90 Cb 0.00 -2.78 -0.04 0.00 -1.43 0.00 0.00 32.58 28.33 3lyx s HIS 90 CO 0.00 -0.50 0.15 0.42 -2.00 0.00 0.00 174.74 172.80 3lyx s ILE 91 N -2.79 5.03 0.35 -5.38 1.09 -1.26 -1.41 121.20 116.84 3lyx s ILE 91 Ca 0.58 -0.47 -0.02 0.00 -1.10 0.00 0.00 60.65 59.64 3lyx s ILE 91 Cb -0.11 -3.41 0.01 0.00 -1.06 0.00 0.00 42.46 37.90 3lyx s ILE 91 CO 0.38 0.20 0.50 -0.83 -0.10 0.00 0.00 174.94 175.09 3lyx s GLY 92 N -2.26 1.50 0.02 6.18 0.00 -0.63 -4.97 107.32 107.17 3lyx s GLY 92 Ca 0.30 -1.52 0.09 0.00 0.00 0.00 0.00 44.72 43.59 3lyx s GLY 92 CO 0.22 -0.98 -0.26 -0.98 0.00 0.00 0.00 173.10 171.10 3lyx s TRP 93 N -2.94 2.31 0.07 1.90 0.52 -1.26 0.12 118.94 119.66 3lyx s TRP 93 Ca 0.30 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 56.00 3lyx s TRP 93 Cb -0.01 -1.43 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 3lyx s TRP 93 CO 0.21 0.05 -0.05 0.96 0.02 0.00 0.00 176.95 178.14 3lyx s ILE 94 N -0.72 0.44 -0.25 2.03 -4.36 -0.37 -1.06 121.20 116.91 3lyx s ILE 94 Ca 0.11 -1.85 -0.10 0.00 -0.26 0.00 0.00 60.65 58.55 3lyx s ILE 94 Cb -0.10 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 3lyx s ILE 94 CO 0.01 -0.93 0.14 -0.70 0.24 0.00 0.00 174.94 173.70 3lyx s GLU 95 N -3.83 3.94 0.12 0.37 2.12 0.34 -2.20 118.70 119.55 3lyx s GLU 95 Ca 0.09 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.16 3lyx s GLU 95 Cb 0.06 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3lyx s GLU 95 CO -0.07 -0.05 -0.18 0.45 -0.54 0.00 0.00 175.26 174.87 3lyx s SER 96 N 1.34 2.37 0.00 -1.70 0.15 0.20 -1.66 113.70 114.39 3lyx s SER 96 Ca 0.07 -0.75 -0.01 0.00 0.70 0.00 0.00 55.95 55.96 3lyx s SER 96 Cb -0.15 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 3lyx s SER 96 CO 0.06 -0.02 0.00 -0.32 1.20 0.00 0.00 173.24 174.16 3lyx s MET 97 N -2.28 0.13 -0.06 5.44 0.00 -0.31 -1.38 119.30 120.85 3lyx s MET 97 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 55.69 55.57 3lyx s MET 97 Cb -0.08 0.05 0.02 0.00 0.00 0.00 0.00 34.83 34.82 3lyx s MET 97 CO 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 175.02 175.01 3lyx s VAL 99 N 1.28 1.58 0.43 0.00 1.01 0.41 -1.48 120.40 123.63 3lyx s VAL 99 Ca -0.05 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 3lyx s VAL 99 Cb -0.14 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 3lyx s VAL 99 CO -0.02 0.45 1.07 -2.16 0.00 0.00 0.00 175.10 174.44 3lyx s PRO 100 N 0.00 3.99 -0.14 2.72 0.04 -1.26 0.24 135.00 140.60 3lyx s PRO 100 Ca -0.04 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 3lyx s PRO 100 Cb -0.12 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 3lyx s PRO 100 CO 0.03 -0.29 0.02 0.42 0.04 0.00 0.00 177.00 177.21 3lyx s ILE 101 N -1.72 4.40 0.11 0.56 1.01 0.97 -4.83 121.20 121.71 3lyx s ILE 101 Ca 0.61 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 61.12 3lyx s ILE 101 Cb -0.22 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3lyx s ILE 101 CO 0.27 0.53 0.04 -0.31 0.00 0.00 0.00 174.94 175.47 3lyx s TYR 102 N -0.17 3.05 0.00 3.97 2.02 -1.26 -0.56 117.35 124.39 3lyx s TYR 102 Ca 0.05 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.74 3lyx s TYR 102 Cb -0.12 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3lyx s TYR 102 CO 0.02 0.50 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 3lyx n GLY 103 N 0.28 0.07 3.27 0.71 0.00 0.41 -4.78 105.19 105.14 3lyx n GLY 103 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 3lyx n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lyx s GLU 104 N 0.36 1.08 -1.52 1.61 8.01 -1.26 -4.75 118.70 122.23 3lyx s GLU 104 Ca 0.00 -1.18 -0.07 0.00 0.01 0.00 0.00 54.97 53.74 3lyx s GLU 104 Cb 0.00 -1.21 0.05 0.00 -4.31 0.00 0.00 34.13 28.66 3lyx s GLU 104 CO 0.00 0.27 0.53 -1.71 0.01 0.00 0.00 175.26 174.35 3lyx n ASN 105 N 0.91 -1.34 -3.95 -0.19 5.15 -1.26 -1.37 115.26 113.21 3lyx n ASN 105 Ca -0.18 -1.02 -0.29 0.00 -0.60 0.00 0.00 54.58 52.49 3lyx n ASN 105 Cb 0.55 -2.88 0.01 0.00 -0.53 0.00 0.00 39.78 36.92 3lyx n ASN 105 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3lyx n TYR 106 N -4.42 -2.03 -3.46 1.20 9.36 -1.26 -4.96 117.16 111.59 3lyx n TYR 106 Ca -0.18 0.85 -0.39 0.00 3.32 0.00 0.00 57.90 61.51 3lyx n TYR 106 Cb 0.62 -3.81 -0.10 0.00 -0.63 0.00 0.00 39.34 35.42 3lyx n TYR 106 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3lyx s GLN 107 N -6.56 3.89 0.08 2.98 -1.52 -0.47 -4.90 119.66 113.16 3lyx s GLN 107 Ca 0.47 -0.17 -0.31 0.00 -1.95 0.00 0.00 55.36 53.40 3lyx s GLN 107 Cb -0.24 -3.69 -0.09 0.00 -0.22 0.00 0.00 33.01 28.77 3lyx s GLN 107 CO 0.86 -0.30 1.66 1.41 -0.25 0.00 0.00 175.29 178.66 3lyx s MET 108 N 1.96 4.19 0.00 2.91 -2.45 -1.26 0.15 119.30 124.81 3lyx s MET 108 Ca 0.12 2.35 0.07 0.00 -1.25 0.00 0.00 55.69 56.98 3lyx s MET 108 Cb -0.16 -3.57 -0.01 0.00 1.25 0.00 0.00 34.83 32.34 3lyx s MET 108 CO 0.11 -0.73 0.46 0.28 1.05 0.00 0.00 175.02 176.19 3lyx n VAL 109 N 4.67 0.00 -2.94 10.11 0.31 0.27 -4.83 118.33 125.93 3lyx n VAL 109 Ca 0.16 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3lyx n VAL 109 Cb 0.40 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.40 3lyx n VAL 109 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3lyx n GLY 110 N 0.82 -1.45 3.07 2.92 0.00 -1.19 -3.12 105.19 106.24 3lyx n GLY 110 Ca 0.02 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3lyx n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lyx s ALA 111 N -1.17 0.45 -0.14 4.61 0.00 -0.02 -0.02 121.76 125.48 3lyx s ALA 111 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3lyx s ALA 111 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 3lyx s ALA 111 CO 0.00 -0.31 -0.15 -1.17 0.00 0.00 0.00 175.76 174.13 3lyx s LEU 112 N -2.60 2.55 -0.10 0.00 2.96 0.14 -0.82 118.68 120.80 3lyx s LEU 112 Ca 0.02 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3lyx s LEU 112 Cb 0.04 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3lyx s LEU 112 CO -0.08 0.12 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.10 3lyx s GLY 113 N 0.61 1.52 -0.11 7.98 0.00 0.11 -0.45 107.32 116.98 3lyx s GLY 113 Ca -0.08 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.74 3lyx s GLY 113 CO 0.03 -0.41 -0.22 -0.42 0.00 0.00 0.00 173.10 172.08 3lyx s ILE 114 N -0.05 1.94 0.03 0.90 1.09 -0.21 -0.49 121.20 124.41 3lyx s ILE 114 Ca -0.03 -0.93 0.02 0.00 -1.10 0.00 0.00 60.65 58.61 3lyx s ILE 114 Cb -0.14 -1.70 -0.02 0.00 -1.06 0.00 0.00 42.46 39.54 3lyx s ILE 114 CO 0.04 0.53 -0.07 0.20 -0.10 0.00 0.00 174.94 175.54 3lyx s ASN 115 N 0.56 0.76 -0.03 3.58 0.01 0.24 -1.16 114.94 118.90 3lyx s ASN 115 Ca -0.14 -0.47 -0.03 0.00 -0.71 0.00 0.00 52.86 51.50 3lyx s ASN 115 Cb -0.17 0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.53 3lyx s ASN 115 CO 0.04 -0.17 0.10 -0.13 -1.51 0.00 0.00 177.10 175.43 3lyx s ARG 116 N -1.34 0.13 0.17 -0.60 0.52 -0.66 -0.60 118.95 116.57 3lyx s ARG 116 Ca -0.09 0.11 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 3lyx s ARG 116 Cb -0.09 0.06 -0.08 0.00 0.52 0.00 0.00 34.95 35.37 3lyx s ARG 116 CO 0.00 -0.02 1.18 0.34 0.02 0.00 0.00 175.30 176.83 3lyx s ASP 117 N -0.02 7.11 -0.03 0.23 2.15 -1.26 -0.51 116.67 124.34 3lyx s ASP 117 Ca -0.01 2.20 0.04 0.00 0.43 0.00 0.00 52.55 55.21 3lyx s ASP 117 Cb -0.01 -2.60 0.06 0.00 -0.30 0.00 0.00 42.92 40.06 3lyx s ASP 117 CO 0.00 -0.36 1.02 2.30 -0.17 0.00 0.00 175.17 177.97 3lyx n ILE 118 N 2.61 0.38 0.09 4.11 -5.35 -0.23 -4.87 119.36 116.10 3lyx n ILE 118 Ca 0.05 -0.45 -0.12 0.00 -0.27 0.00 0.00 62.75 61.95 3lyx n ILE 118 Cb 0.45 0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 38.66 3lyx n ILE 118 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3lyx h THR 119 N 5.56 0.40 -1.02 7.28 2.02 -1.85 -1.90 112.91 123.40 3lyx h THR 119 Ca 0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.44 3lyx h THR 119 Cb 1.31 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 3lyx h THR 119 CO 0.00 0.00 0.68 0.50 0.37 0.00 0.00 175.52 177.07 3lyx h LYS 120 N -0.46 0.30 -0.03 6.66 1.63 -1.91 -3.46 116.57 119.31 3lyx h LYS 120 Ca 0.04 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3lyx h LYS 120 Cb 0.50 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3lyx h LYS 120 CO -0.18 0.20 0.00 0.54 -3.45 0.00 0.00 179.45 176.55