#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyx h VAL 3 N 0.00 1.03 -0.83 3.44 2.07 -2.05 0.18 116.25 120.09 3lyx h VAL 3 Ca 0.00 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3lyx h VAL 3 Cb 0.00 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 3lyx h VAL 3 CO 0.00 0.11 0.39 0.44 0.02 0.00 0.00 177.57 178.53 3lyx h ASP 4 N 0.58 1.09 -0.09 0.57 3.32 -2.06 0.39 116.42 120.23 3lyx h ASP 4 Ca 0.23 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3lyx h ASP 4 Cb 0.17 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3lyx h ASP 4 CO -0.06 0.92 0.02 0.40 -1.72 0.00 0.00 179.24 178.80 3lyx h ILE 5 N 1.19 1.20 -0.94 0.35 5.03 -1.19 -2.52 117.51 120.63 3lyx h ILE 5 Ca 0.29 -0.60 0.01 0.00 -0.12 0.00 0.00 64.86 64.43 3lyx h ILE 5 Cb 0.13 1.43 -0.05 0.00 -3.03 0.00 0.00 36.82 35.30 3lyx h ILE 5 CO -0.03 0.17 0.62 -0.07 -0.68 0.00 0.00 178.15 178.16 3lyx h LEU 6 N -0.07 1.07 0.22 1.44 3.38 -0.68 -1.82 115.31 118.85 3lyx h LEU 6 Ca 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3lyx h LEU 6 Cb 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3lyx h LEU 6 CO 0.00 0.78 -0.10 0.11 0.09 0.00 0.00 178.44 179.31 3lyx h LYS 7 N 1.27 -0.28 -0.29 1.13 1.79 -0.84 -0.13 116.57 119.21 3lyx h LYS 7 Ca 0.35 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.79 3lyx h LYS 7 Cb -0.14 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 3lyx h LYS 7 CO -0.08 -0.18 -0.03 -0.56 -1.08 0.00 0.00 179.45 177.53 3lyx h GLN 8 N -0.31 0.45 -0.18 3.15 3.07 -1.28 0.16 115.11 120.18 3lyx h GLN 8 Ca -0.03 -0.10 -0.19 0.00 0.09 0.00 0.00 58.65 58.42 3lyx h GLN 8 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.73 3lyx h GLN 8 CO 0.05 0.50 -0.66 0.00 0.09 0.00 0.00 178.83 178.81 3lyx h ARG 9 N 0.43 0.68 -0.08 0.06 3.08 -1.15 -2.98 114.38 114.42 3lyx h ARG 9 Ca 0.09 -0.49 -0.11 0.00 0.07 0.00 0.00 59.98 59.54 3lyx h ARG 9 Cb 0.33 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3lyx h ARG 9 CO 0.01 1.11 -0.44 0.00 -1.07 0.00 0.00 179.97 179.58 3lyx h ALA 10 N 0.77 1.11 -0.90 0.04 0.00 -0.58 -3.04 119.26 116.65 3lyx h ALA 10 Ca -0.02 -0.43 0.15 0.00 0.00 0.00 0.00 54.91 54.61 3lyx h ALA 10 Cb 1.26 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3lyx h ALA 10 CO 0.13 0.60 0.50 -0.22 0.00 0.00 0.00 179.25 180.26 3lyx h LYS 11 N 0.16 0.69 0.00 0.00 1.63 -0.81 0.09 116.57 118.33 3lyx h LYS 11 Ca 0.01 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3lyx h LYS 11 Cb 0.84 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.32 3lyx h LYS 11 CO 0.07 0.46 -0.02 0.00 -3.45 0.00 0.00 179.45 176.50 3lyx h ALA 12 N 1.56 1.47 -0.91 5.00 0.00 -1.56 -3.28 119.26 121.55 3lyx h ALA 12 Ca 0.48 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.46 3lyx h ALA 12 Cb 0.65 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 3lyx h ALA 12 CO -0.34 0.03 -0.54 0.34 0.00 0.00 0.00 179.25 178.74 3lyx n PHE 13 N -3.79 -0.40 1.09 0.00 7.35 0.02 -0.34 117.46 121.38 3lyx n PHE 13 Ca -0.03 1.14 0.03 0.00 -0.76 0.00 0.00 57.45 57.83 3lyx n PHE 13 Cb 0.11 -0.57 0.10 0.00 0.35 0.00 0.00 39.48 39.46 3lyx n PHE 13 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3lyx n ASP 14 N -5.12 1.47 -0.00 -2.13 8.00 -1.24 -3.87 116.55 113.66 3lyx n ASP 14 Ca 0.02 -2.07 0.02 0.00 0.71 0.00 0.00 54.79 53.47 3lyx n ASP 14 Cb 0.24 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 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 0.14 0.00 -1.60 1.24 4.01 0.53 -4.58 117.16 116.90 3lyx n TYR 15 Ca 0.07 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.50 3lyx n TYR 15 Cb 0.27 -0.09 0.05 0.00 -0.31 0.00 0.00 39.34 39.27 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 -2.16 3.67 -0.24 -0.72 -7.23 -0.69 -4.95 120.40 108.07 3lyx s VAL 16 Ca -0.01 0.62 0.18 0.00 -1.81 0.00 0.00 61.98 60.96 3lyx s VAL 16 Cb 0.03 -3.21 0.11 0.00 0.56 0.00 0.00 36.38 33.87 3lyx s VAL 16 CO 0.18 -0.63 1.37 0.15 -0.31 0.00 0.00 175.10 175.87 3lyx h PHE 17 N -0.50 0.00 -3.71 2.82 3.57 -1.93 -3.38 116.94 113.81 3lyx h PHE 17 Ca -0.45 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.52 3lyx h PHE 17 Cb 1.22 0.00 0.10 0.00 2.79 0.00 0.00 35.95 40.06 3lyx h PHE 17 CO 0.59 0.31 0.81 -0.51 -2.23 0.00 0.00 178.31 177.29 3lyx s ASP 18 N -6.19 6.38 -0.43 0.41 1.01 -1.26 -4.73 116.67 111.86 3lyx s ASP 18 Ca 0.04 2.99 -0.21 0.00 0.71 0.00 0.00 52.55 56.08 3lyx s ASP 18 Cb 0.07 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.37 3lyx s ASP 18 CO 0.74 -0.87 0.68 0.00 0.21 0.00 0.00 175.17 175.93 3lyx s ALA 19 N -0.70 3.35 -0.17 5.23 0.00 -0.72 -4.28 121.76 124.47 3lyx s ALA 19 Ca 0.56 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 3lyx s ALA 19 Cb -0.47 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 3lyx s ALA 19 CO 0.57 -1.76 0.27 0.42 0.00 0.00 0.00 175.76 175.25 3lyx s ILE 20 N 2.94 5.32 -0.17 0.00 -1.09 -1.26 -1.02 121.20 125.92 3lyx s ILE 20 Ca 0.25 0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 59.14 3lyx s ILE 20 Cb -0.14 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.19 3lyx s ILE 20 CO 0.19 0.40 0.00 -0.69 -1.23 0.00 0.00 174.94 173.62 3lyx s VAL 21 N 0.44 0.71 -0.19 2.92 1.01 -0.13 -3.09 120.40 122.07 3lyx s VAL 21 Ca 0.15 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 3lyx s VAL 21 Cb -0.13 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3lyx s VAL 21 CO 0.03 -0.05 0.11 -0.69 0.00 0.00 0.00 175.10 174.51 3lyx s VAL 22 N 1.79 5.27 0.28 2.92 1.01 -0.74 -0.12 120.40 130.82 3lyx s VAL 22 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.19 3lyx s VAL 22 Cb -0.16 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 3lyx s VAL 22 CO -0.07 0.45 -0.06 0.42 0.00 0.00 0.00 175.10 175.83 3lyx s THR 23 N 0.34 1.70 0.59 3.92 -4.23 -0.03 -0.06 115.64 117.87 3lyx s THR 23 Ca 0.07 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 3lyx s THR 23 Cb -0.11 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.38 3lyx s THR 23 CO -0.01 -0.29 0.80 -0.90 -0.54 0.00 0.00 174.62 173.67 3lyx n ASP 24 N -0.60 0.96 0.31 3.99 5.68 -0.56 -1.19 116.55 125.15 3lyx n ASP 24 Ca -0.05 -1.84 0.18 0.00 -0.50 0.00 0.00 54.79 52.58 3lyx n ASP 24 Cb 0.63 -0.53 0.96 0.00 -1.14 0.00 0.00 41.12 41.04 3lyx n ASP 24 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3lyx h LEU 25 N 0.00 0.00 -3.18 -2.12 3.38 -1.87 -1.14 115.31 110.39 3lyx h LEU 25 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3lyx h LEU 25 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3lyx h LEU 25 CO 0.27 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3lyx n GLN 26 N -3.11 3.37 -1.13 1.13 6.02 -1.26 -4.97 117.38 117.42 3lyx n GLN 26 Ca -0.02 -2.71 -0.05 0.00 -0.01 0.00 0.00 57.00 54.22 3lyx n GLN 26 Cb 0.27 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 3lyx n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lyx n GLY 27 N 0.31 0.73 3.76 1.08 0.00 -0.43 -4.91 105.19 105.73 3lyx n GLY 27 Ca 0.21 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.16 3.54 0.10 1.61 0.08 -1.26 0.12 117.98 120.01 3lyx s PHE 28 Ca 0.00 0.71 -0.31 0.00 0.12 0.00 0.00 56.93 57.45 3lyx s PHE 28 Cb 0.00 -2.32 -0.09 0.00 -0.57 0.00 0.00 43.02 40.04 3lyx s PHE 28 CO 0.00 0.36 1.62 0.42 -0.10 0.00 0.00 175.22 177.52 3lyx s ILE 29 N 0.01 2.91 -0.01 0.64 1.01 0.15 -1.49 121.20 124.41 3lyx s ILE 29 Ca 0.19 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.40 3lyx s ILE 29 Cb -0.14 -3.32 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 3lyx s ILE 29 CO 0.07 0.01 0.14 2.30 0.00 0.00 0.00 174.94 177.46 3lyx n ILE 30 N 4.46 0.03 -3.78 2.92 -5.35 0.92 0.68 119.36 119.24 3lyx n ILE 30 Ca 0.15 -0.17 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 3lyx n ILE 30 Cb 0.40 0.26 -0.09 0.00 -1.74 0.00 0.00 39.64 38.47 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 -2.87 -0.18 -0.20 7.28 3.68 -1.05 -4.91 116.67 118.41 3lyx s ASP 31 Ca -0.03 0.12 -0.10 0.00 2.13 0.00 0.00 52.55 54.67 3lyx s ASP 31 Cb 0.04 0.34 0.07 0.00 -1.45 0.00 0.00 42.92 41.93 3lyx s ASP 31 CO 0.29 -0.39 0.48 0.86 0.13 0.00 0.00 175.17 176.54 3lyx s TRP 32 N -1.13 -0.76 0.51 -5.34 -0.11 -1.26 -1.79 118.94 109.06 3lyx s TRP 32 Ca -0.12 1.54 0.08 0.00 1.22 0.00 0.00 56.10 58.83 3lyx s TRP 32 Cb -0.05 0.37 0.05 0.00 -1.50 0.00 0.00 33.47 32.34 3lyx s TRP 32 CO 0.03 -0.41 0.64 0.54 -4.62 0.00 0.00 176.95 173.13 3lyx s ASN 33 N 1.67 5.22 0.33 5.86 4.22 -1.18 -4.84 114.94 126.22 3lyx s ASN 33 Ca -0.08 -0.75 0.03 0.00 -2.14 0.00 0.00 52.86 49.91 3lyx s ASN 33 Cb -0.08 -0.08 0.61 0.00 1.28 0.00 0.00 41.25 42.97 3lyx s ASN 33 CO -0.15 -1.06 1.94 0.11 -2.04 0.00 0.00 177.10 175.90 3lyx h LYS 34 N 0.48 0.90 -0.99 3.55 1.79 -1.81 -1.78 116.57 118.71 3lyx h LYS 34 Ca -0.35 -0.05 0.12 0.00 -2.18 0.00 0.00 60.65 58.19 3lyx h LYS 34 Cb 1.28 -0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 31.65 3lyx h LYS 34 CO 0.46 0.59 0.62 0.78 -1.08 0.00 0.00 179.45 180.82 3lyx h GLY 35 N 0.92 1.62 1.62 3.86 0.00 -1.75 -0.64 103.07 108.71 3lyx h GLY 35 Ca 0.35 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3lyx h GLY 35 CO -0.12 0.15 -0.50 1.76 0.00 0.00 0.00 176.54 177.83 3lyx h SER 36 N 0.97 0.44 -0.50 0.19 0.02 -1.54 -1.30 113.55 111.84 3lyx h SER 36 Ca 0.49 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 3lyx h SER 36 Cb 0.49 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3lyx h SER 36 CO -0.27 0.87 0.25 -0.08 -1.14 0.00 0.00 176.83 176.46 3lyx h GLU 37 N 0.32 0.71 -0.61 3.45 4.81 -0.99 0.27 114.58 122.55 3lyx h GLU 37 Ca 0.01 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3lyx h GLU 37 Cb 0.99 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 3lyx h GLU 37 CO 0.09 0.58 0.15 1.15 -0.73 0.00 0.00 179.01 180.25 3lyx h THR 38 N 0.66 1.25 -0.00 0.32 2.02 -1.02 0.49 112.91 116.63 3lyx h THR 38 Ca 0.17 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 3lyx h THR 38 Cb 0.10 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3lyx h THR 38 CO -0.02 0.34 -0.01 0.25 0.37 0.00 0.00 175.52 176.44 3lyx h LEU 39 N 0.89 0.01 0.00 2.58 5.85 -0.92 -3.38 115.31 120.34 3lyx h LEU 39 Ca 0.19 -0.78 -0.13 0.00 0.84 0.00 0.00 57.88 58.00 3lyx h LEU 39 Cb 0.35 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3lyx h LEU 39 CO 0.00 0.78 -1.30 1.88 -0.34 0.00 0.00 178.44 179.47 3lyx h TYR 40 N -0.76 0.00 0.00 1.25 0.05 -0.57 -3.48 116.97 113.46 3lyx h TYR 40 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3lyx h TYR 40 Cb 0.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.53 3lyx h TYR 40 CO 0.20 0.47 0.00 0.41 -1.05 0.00 0.00 178.16 178.19 3lyx n GLY 41 N 1.35 3.25 3.85 3.88 0.00 0.16 -1.06 105.19 116.62 3lyx n GLY 41 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.83 3.57 0.61 1.61 2.02 -1.25 -4.89 117.35 116.18 3lyx s TYR 42 Ca 0.00 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 57.66 3lyx s TYR 42 Cb 0.00 -2.31 0.04 0.00 -0.40 0.00 0.00 41.96 39.29 3lyx s TYR 42 CO 0.00 0.42 0.86 -1.54 -1.57 0.00 0.00 175.55 173.71 3lyx s SER 43 N -1.85 5.10 0.26 2.29 1.04 -1.26 -3.78 113.70 115.50 3lyx s SER 43 Ca 0.39 0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.93 3lyx s SER 43 Cb -0.14 -0.93 0.49 0.00 0.10 0.00 0.00 66.02 65.53 3lyx s SER 43 CO 0.19 -1.31 1.78 0.11 0.98 0.00 0.00 173.24 175.00 3lyx h LYS 44 N -0.17 0.69 -0.31 4.02 1.57 -1.92 -0.54 116.57 119.92 3lyx h LYS 44 Ca -0.43 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 3lyx h LYS 44 Cb 1.30 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3lyx h LYS 44 CO 0.55 0.45 0.16 0.93 -0.57 0.00 0.00 179.45 180.97 3lyx h GLU 45 N 0.71 0.41 0.00 3.15 3.07 -1.94 -1.47 114.58 118.51 3lyx h GLU 45 Ca 0.44 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3lyx h GLU 45 Cb 0.54 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3lyx h GLU 45 CO -0.31 0.31 -0.70 1.96 -1.40 0.00 0.00 179.01 178.87 3lyx h GLN 46 N 0.42 0.00 0.00 2.33 4.20 -1.51 -3.40 115.11 117.14 3lyx h GLN 46 Ca 0.11 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.37 3lyx h GLN 46 Cb 0.02 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.73 3lyx h GLN 46 CO -0.02 0.00 -2.51 0.00 -0.67 0.00 0.00 178.83 175.63 3lyx n ALA 47 N -1.90 1.25 -1.70 3.87 0.00 -0.52 -4.83 120.51 116.67 3lyx n ALA 47 Ca 0.03 -1.09 -0.43 0.00 0.00 0.00 0.00 53.44 51.94 3lyx n ALA 47 Cb 0.46 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3lyx n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3lyx n ILE 48 N -4.01 0.02 -0.14 0.00 5.41 -0.59 -1.70 119.36 118.34 3lyx n ILE 48 Ca -0.52 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.22 3lyx n ILE 48 Cb 0.91 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 3lyx n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3lyx n GLY 49 N 3.81 1.00 3.94 7.39 0.00 0.21 -4.97 105.19 116.57 3lyx n GLY 49 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.61 3.50 0.18 1.61 -1.52 -0.69 -4.76 119.66 117.37 3lyx s GLN 50 Ca 0.00 -0.36 -0.30 0.00 -1.95 0.00 0.00 55.36 52.75 3lyx s GLN 50 Cb 0.00 -2.73 -0.08 0.00 -0.22 0.00 0.00 33.01 29.98 3lyx s GLN 50 CO 0.00 0.25 1.14 -1.25 -0.25 0.00 0.00 175.29 175.19 3lyx s PRO 51 N -3.95 4.55 0.63 2.91 0.04 -1.26 0.30 135.00 138.21 3lyx s PRO 51 Ca 0.39 1.78 0.41 0.00 0.04 0.00 0.00 61.00 63.62 3lyx s PRO 51 Cb -0.10 -3.27 2.12 0.00 0.04 0.00 0.00 34.50 33.30 3lyx s PRO 51 CO 0.33 -0.00 2.27 -0.24 0.04 0.00 0.00 177.00 179.39 3lyx h VAL 52 N 3.77 0.04 0.00 -0.36 3.04 0.56 -1.89 116.25 121.42 3lyx h VAL 52 Ca -0.44 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3lyx h VAL 52 Cb 1.21 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 3lyx h VAL 52 CO 0.74 0.01 0.00 -0.46 -1.01 0.00 0.00 177.57 176.84 3lyx n ASN 53 N -3.13 0.00 0.11 3.17 0.23 -1.26 -1.74 115.26 112.63 3lyx n ASN 53 Ca -0.02 0.10 0.11 0.00 -0.53 0.00 0.00 54.58 54.24 3lyx n ASN 53 Cb 0.14 -0.30 0.45 0.00 -2.08 0.00 0.00 39.78 37.99 3lyx n ASN 53 CO 0.00 0.00 0.00 1.15 -0.93 0.00 0.00 177.26 177.48 3lyx n MET 54 N -1.30 0.15 0.00 -3.83 0.00 -0.71 -1.70 117.12 109.73 3lyx n MET 54 Ca 0.07 0.40 0.12 0.00 0.00 0.00 0.00 57.70 58.30 3lyx n MET 54 Cb 0.13 -1.80 0.25 0.00 0.00 0.00 0.00 33.22 31.80 3lyx n MET 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3lyx n LEU 55 N -2.09 0.83 -4.93 3.17 4.77 -0.71 -4.89 117.00 113.16 3lyx n LEU 55 Ca 0.02 -0.19 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 3lyx n LEU 55 Cb 0.20 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3lyx n LEU 55 CO 0.18 0.18 0.31 -1.00 -1.33 0.00 0.00 177.39 175.72 3lyx s HIS 56 N -2.78 3.48 -0.18 -1.77 3.76 -0.69 -1.32 115.29 115.79 3lyx s HIS 56 Ca 0.16 0.52 -0.25 0.00 -0.15 0.00 0.00 55.06 55.34 3lyx s HIS 56 Cb 0.18 -2.14 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 3lyx s HIS 56 CO 0.64 -0.14 0.82 0.08 -0.85 0.00 0.00 174.74 175.29 3lyx s VAL 57 N -2.54 4.89 0.00 -0.90 1.01 -1.26 -4.59 120.40 117.01 3lyx s VAL 57 Ca 0.44 1.59 -0.00 0.00 0.00 0.00 0.00 61.98 64.01 3lyx s VAL 57 Cb -0.10 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.17 3lyx s VAL 57 CO 0.40 0.02 0.03 -2.65 0.00 0.00 0.00 175.10 172.90 3lyx n PRO 58 N 5.28 -0.00 -0.23 2.72 -0.02 -1.26 -0.22 135.00 141.27 3lyx n PRO 58 Ca 0.04 0.03 -0.08 0.00 -2.02 0.00 0.00 63.50 61.47 3lyx n PRO 58 Cb 0.49 -0.04 0.03 0.00 -0.02 0.00 0.00 33.50 33.96 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 1.13 1.93 -1.23 0.00 -2.01 -3.32 103.07 99.57 3lyx h GLY 59 Ca 0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 3lyx h GLY 59 CO -0.02 0.68 -0.26 -0.55 0.00 0.00 0.00 176.54 176.39 3lyx h ASP 60 N 0.96 0.09 -0.42 0.19 3.32 -0.99 -3.40 116.42 116.17 3lyx h ASP 60 Ca 0.20 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.26 3lyx h ASP 60 Cb 0.41 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3lyx h ASP 60 CO 0.01 0.35 -0.25 0.41 -1.72 0.00 0.00 179.24 178.04 3lyx n THR 61 N -4.20 -0.29 -0.33 0.35 -1.04 -1.25 -1.41 114.28 106.12 3lyx n THR 61 Ca -0.02 1.69 0.06 0.00 -2.04 0.00 0.00 64.05 63.75 3lyx n THR 61 Cb 0.33 -2.16 0.25 0.00 -1.82 0.00 0.00 70.33 66.94 3lyx n THR 61 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3lyx h GLU 62 N 0.00 0.97 0.25 -2.82 5.08 -1.86 -0.69 114.58 115.51 3lyx h GLU 62 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3lyx h GLU 62 Cb 0.17 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3lyx h GLU 62 CO -0.40 0.64 -0.12 1.25 -1.00 0.00 0.00 179.01 179.38 3lyx h HIS 63 N 1.00 -0.31 -0.44 4.33 2.76 -1.58 -2.19 115.15 118.72 3lyx h HIS 63 Ca 0.45 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.67 3lyx h HIS 63 Cb 0.38 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.39 3lyx h HIS 63 CO -0.00 -0.00 0.14 0.82 -1.30 0.00 0.00 177.93 177.59 3lyx h ILE 64 N -0.63 0.84 -0.79 6.26 2.04 -0.94 -1.28 117.51 123.01 3lyx h ILE 64 Ca -0.03 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3lyx h ILE 64 Cb 0.45 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3lyx h ILE 64 CO 0.06 0.06 0.52 0.74 0.00 0.00 0.00 178.15 179.52 3lyx h THR 65 N 0.30 1.21 -0.24 -0.27 2.02 -1.13 -0.44 112.91 114.35 3lyx h THR 65 Ca 0.21 -0.38 -0.16 0.00 0.77 0.00 0.00 66.41 66.84 3lyx h THR 65 Cb 0.22 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3lyx h THR 65 CO -0.23 0.20 -0.51 0.28 0.37 0.00 0.00 175.52 175.63 3lyx h SER 66 N 1.08 0.73 -0.16 4.18 0.02 -0.70 -2.44 113.55 116.25 3lyx h SER 66 Ca 0.29 -0.38 -0.17 0.00 -0.84 0.00 0.00 61.79 60.69 3lyx h SER 66 Cb -0.12 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.21 3lyx h SER 66 CO -0.06 1.11 -0.51 -0.33 -1.14 0.00 0.00 176.83 175.90 3lyx h GLU 67 N 0.52 0.74 0.53 3.45 4.39 -0.83 -1.45 114.58 121.93 3lyx h GLU 67 Ca 0.02 -0.45 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 3lyx h GLU 67 Cb 1.07 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3lyx h GLU 67 CO 0.10 1.08 -0.25 0.28 -1.16 0.00 0.00 179.01 179.06 3lyx h VAL 68 N 0.58 0.47 -0.31 3.13 2.07 -1.04 0.30 116.25 121.45 3lyx h VAL 68 Ca 0.02 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3lyx h VAL 68 Cb 1.09 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3lyx h VAL 68 CO 0.11 0.02 0.06 0.40 0.02 0.00 0.00 177.57 178.17 3lyx h ILE 69 N -0.77 0.85 -0.41 4.57 5.03 -1.49 0.66 117.51 125.95 3lyx h ILE 69 Ca -0.07 -0.06 0.03 0.00 -0.12 0.00 0.00 64.86 64.64 3lyx h ILE 69 Cb 0.57 0.66 -0.03 0.00 -3.03 0.00 0.00 36.82 34.99 3lyx h ILE 69 CO 0.12 0.03 0.21 -1.28 -0.68 0.00 0.00 178.15 176.55 3lyx h SER 70 N 0.17 0.32 -0.38 1.72 0.87 -1.12 -0.55 113.55 114.58 3lyx h SER 70 Ca 0.14 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3lyx h SER 70 Cb 0.16 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3lyx h SER 70 CO -0.19 0.23 0.12 0.00 -0.53 0.00 0.00 176.83 176.46 3lyx h ALA 71 N 1.21 0.50 -0.67 6.23 0.00 0.09 -2.55 119.26 124.07 3lyx h ALA 71 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3lyx h ALA 71 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3lyx h ALA 71 CO -0.11 0.14 0.33 0.28 0.00 0.00 0.00 179.25 179.89 3lyx h VAL 72 N 0.47 1.22 -0.47 0.00 2.07 -0.60 0.27 116.25 119.21 3lyx h VAL 72 Ca 0.12 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3lyx h VAL 72 Cb 0.25 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3lyx h VAL 72 CO -0.00 0.25 0.16 -0.33 0.02 0.00 0.00 177.57 177.67 3lyx h GLU 73 N 0.92 0.68 0.00 1.57 5.08 -1.01 0.34 114.58 122.16 3lyx h GLU 73 Ca 0.23 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3lyx h GLU 73 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3lyx h GLU 73 CO -0.03 0.59 -0.54 -0.91 -1.00 0.00 0.00 179.01 177.12 3lyx h ASN 74 N 0.67 0.00 0.00 1.42 -0.26 -1.10 -3.42 115.58 112.89 3lyx h ASN 74 Ca 0.16 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 3lyx h ASN 74 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 3lyx h ASN 74 CO -0.01 0.96 -1.07 0.00 -1.06 0.00 0.00 177.43 176.25 3lyx n GLN 75 N -4.60 1.06 -0.87 0.81 1.13 0.93 -4.98 117.38 110.87 3lyx n GLN 75 Ca -0.14 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 3lyx n GLN 75 Cb 0.37 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.37 3lyx n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3lyx n GLY 76 N 1.43 0.63 3.42 1.08 0.00 0.12 -4.98 105.19 106.88 3lyx n GLY 76 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.13 1.17 -0.01 1.61 2.20 -1.25 -4.44 119.74 118.89 3lyx s LYS 77 Ca 0.00 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 3lyx s LYS 77 Cb 0.00 0.54 -0.00 0.00 -1.51 0.00 0.00 37.83 36.86 3lyx s LYS 77 CO 0.00 -0.47 -0.05 -0.46 -0.36 0.00 0.00 175.35 174.01 3lyx s TRP 78 N -3.13 0.46 0.01 4.03 -0.00 -0.03 -3.68 118.94 116.61 3lyx s TRP 78 Ca -0.02 -0.09 -0.01 0.00 -0.00 0.00 0.00 56.10 55.99 3lyx s TRP 78 Cb -0.00 -0.31 -0.01 0.00 -0.00 0.00 0.00 33.47 33.14 3lyx s TRP 78 CO -0.07 -0.02 0.01 0.95 -0.00 0.00 0.00 176.95 177.81 3lyx s THR 79 N -0.04 0.07 -0.11 5.86 -4.23 -1.26 -0.13 115.64 115.80 3lyx s THR 79 Ca 0.01 -0.56 -0.33 0.00 -1.18 0.00 0.00 61.69 59.63 3lyx s THR 79 Cb -0.03 -0.20 0.14 0.00 1.34 0.00 0.00 72.50 73.75 3lyx s THR 79 CO -0.00 -0.31 1.32 -0.83 -0.54 0.00 0.00 174.62 174.26 3lyx s GLY 80 N -0.91 -0.38 -0.31 3.99 0.00 -0.20 -4.99 107.32 104.52 3lyx s GLY 80 Ca -0.10 1.13 -0.04 0.00 0.00 0.00 0.00 44.72 45.71 3lyx s GLY 80 CO -0.00 0.30 0.05 -0.54 0.00 0.00 0.00 173.10 172.90 3lyx s GLU 81 N -2.28 2.57 0.32 2.90 2.02 -1.26 -0.55 118.70 122.41 3lyx s GLU 81 Ca 0.13 -1.19 0.07 0.00 0.02 0.00 0.00 54.97 54.00 3lyx s GLU 81 Cb 0.03 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 3lyx s GLU 81 CO -0.04 -0.62 -0.05 0.96 0.02 0.00 0.00 175.26 175.52 3lyx s ILE 82 N 1.34 1.84 0.65 -1.63 -4.36 -0.91 -4.94 121.20 113.19 3lyx s ILE 82 Ca -0.03 -2.13 -0.12 0.00 -0.26 0.00 0.00 60.65 58.11 3lyx s ILE 82 Cb -0.19 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 3lyx s ILE 82 CO 0.01 -0.21 1.05 -0.13 0.24 0.00 0.00 174.94 175.89 3lyx s ARG 83 N -3.70 3.17 -0.00 0.37 0.52 -1.26 -1.33 118.95 116.71 3lyx s ARG 83 Ca 0.32 1.00 0.03 0.00 -0.52 0.00 0.00 55.73 56.55 3lyx s ARG 83 Cb 0.04 -2.02 -0.01 0.00 0.52 0.00 0.00 34.95 33.49 3lyx s ARG 83 CO 0.14 -0.92 -0.09 1.41 0.02 0.00 0.00 175.30 175.86 3lyx s MET 84 N -4.75 0.75 -0.31 3.54 -2.45 0.34 -4.65 119.30 111.76 3lyx s MET 84 Ca 0.59 -0.36 -0.03 0.00 -1.25 0.00 0.00 55.69 54.64 3lyx s MET 84 Cb -0.14 -0.72 0.05 0.00 1.25 0.00 0.00 34.83 35.27 3lyx s MET 84 CO 0.49 0.19 0.03 -1.17 1.05 0.00 0.00 175.02 175.62 3lyx s LEU 85 N -0.31 4.04 0.67 4.11 2.96 -0.43 -0.92 118.68 128.80 3lyx s LEU 85 Ca 0.03 -1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 52.57 3lyx s LEU 85 Cb -0.04 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 3lyx s LEU 85 CO -0.00 -0.28 1.06 -2.28 -1.32 0.00 0.00 176.35 173.52 3lyx s HIS 86 N 1.29 3.04 0.28 5.38 5.65 -0.22 -4.71 115.29 126.00 3lyx s HIS 86 Ca -0.04 1.46 -0.02 0.00 0.25 0.00 0.00 55.06 56.70 3lyx s HIS 86 Cb -0.20 -2.93 0.42 0.00 -1.18 0.00 0.00 32.58 28.69 3lyx s HIS 86 CO -0.00 -1.24 1.93 -0.22 -0.65 0.00 0.00 174.74 174.56 3lyx h LYS 87 N -0.43 1.13 -0.08 2.88 3.64 -1.42 -1.02 116.57 121.28 3lyx h LYS 87 Ca -0.45 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3lyx h LYS 87 Cb 1.21 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3lyx h LYS 87 CO 0.56 0.75 0.00 -0.40 -2.27 0.00 0.00 179.45 178.09 3lyx n ASP 88 N -4.43 0.08 0.00 4.20 5.68 -1.26 -4.87 116.55 115.94 3lyx n ASP 88 Ca 0.12 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 3lyx n ASP 88 Cb 0.09 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.32 2.02 3.87 6.12 0.00 -0.39 -5.06 105.19 112.08 3lyx n GLY 89 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.40 3.56 0.07 1.61 -3.43 -1.26 -4.75 115.29 108.69 3lyx s HIS 90 Ca 0.00 1.26 0.05 0.00 -0.80 0.00 0.00 55.06 55.57 3lyx s HIS 90 Cb 0.00 -2.77 -0.04 0.00 -1.43 0.00 0.00 32.58 28.34 3lyx s HIS 90 CO 0.00 -0.78 -0.03 0.42 -2.00 0.00 0.00 174.74 172.35 3lyx s ILE 91 N -3.20 3.83 0.33 -5.38 1.09 -1.26 -1.06 121.20 115.56 3lyx s ILE 91 Ca 0.56 -0.98 -0.07 0.00 -1.10 0.00 0.00 60.65 59.06 3lyx s ILE 91 Cb -0.11 -2.78 0.03 0.00 -1.06 0.00 0.00 42.46 38.53 3lyx s ILE 91 CO 0.54 0.19 0.56 0.61 -0.10 0.00 0.00 174.94 176.73 3lyx n GLY 92 N 0.83 1.69 3.40 6.18 0.00 -0.10 -4.95 105.19 112.23 3lyx n GLY 92 Ca -0.12 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 3lyx n GLY 92 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3lyx s TRP 93 N -3.07 2.37 0.06 1.61 0.52 -1.26 0.13 118.94 119.29 3lyx s TRP 93 Ca 0.20 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 55.97 3lyx s TRP 93 Cb -0.03 -1.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.93 3lyx s TRP 93 CO 0.15 0.26 -0.06 0.96 0.02 0.00 0.00 176.95 178.29 3lyx s ILE 94 N -0.97 0.45 -0.21 2.03 -4.36 -0.44 -0.67 121.20 117.03 3lyx s ILE 94 Ca 0.14 -1.45 -0.14 0.00 -0.26 0.00 0.00 60.65 58.93 3lyx s ILE 94 Cb -0.10 -1.05 -0.04 0.00 1.25 0.00 0.00 42.46 42.52 3lyx s ILE 94 CO 0.05 -0.67 0.34 -0.70 0.24 0.00 0.00 174.94 174.20 3lyx s GLU 95 N -2.69 4.15 0.10 0.37 2.12 0.49 -2.14 118.70 121.09 3lyx s GLU 95 Ca -0.01 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.45 3lyx s GLU 95 Cb -0.02 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3lyx s GLU 95 CO -0.03 -0.01 -0.13 0.45 -0.54 0.00 0.00 175.26 175.00 3lyx s SER 96 N 1.03 1.69 -0.00 -1.70 0.15 0.28 -1.45 113.70 113.70 3lyx s SER 96 Ca 0.16 -0.74 -0.02 0.00 0.70 0.00 0.00 55.95 56.06 3lyx s SER 96 Cb -0.14 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 3lyx s SER 96 CO 0.07 -0.16 0.03 -0.32 1.20 0.00 0.00 173.24 174.06 3lyx s MET 97 N -2.36 0.19 -0.03 5.44 0.00 -0.50 -1.03 119.30 121.01 3lyx s MET 97 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 55.69 55.49 3lyx s MET 97 Cb -0.06 0.07 0.03 0.00 0.00 0.00 0.00 34.83 34.87 3lyx s MET 97 CO 0.02 -0.03 0.06 0.00 0.00 0.00 0.00 175.02 175.06 3lyx s VAL 99 N 1.05 0.74 0.42 0.00 -7.23 -0.67 -0.85 120.40 113.85 3lyx s VAL 99 Ca -0.09 -1.39 -0.23 0.00 -1.81 0.00 0.00 61.98 58.46 3lyx s VAL 99 Cb -0.12 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 35.70 3lyx s VAL 99 CO -0.04 -0.49 1.06 -2.16 -0.31 0.00 0.00 175.10 173.17 3lyx s PRO 100 N -2.27 4.08 0.14 4.82 0.04 -1.26 -0.25 135.00 140.29 3lyx s PRO 100 Ca -0.02 1.53 0.06 0.00 0.04 0.00 0.00 61.00 62.61 3lyx s PRO 100 Cb -0.06 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 3lyx s PRO 100 CO -0.00 -0.22 0.04 0.96 0.04 0.00 0.00 177.00 177.81 3lyx s ILE 101 N -1.68 4.03 0.11 0.56 -4.36 -0.26 -4.76 121.20 114.84 3lyx s ILE 101 Ca 0.59 -1.17 0.09 0.00 -0.26 0.00 0.00 60.65 59.90 3lyx s ILE 101 Cb -0.22 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.45 3lyx s ILE 101 CO 0.28 -0.02 -0.23 -0.31 0.24 0.00 0.00 174.94 174.89 3lyx s TYR 102 N -1.58 1.96 0.00 1.37 2.02 -1.26 -1.33 117.35 118.52 3lyx s TYR 102 Ca 0.28 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 3lyx s TYR 102 Cb -0.10 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.38 3lyx s TYR 102 CO 0.20 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.83 3lyx n GLY 103 N 1.07 0.86 0.26 0.71 0.00 -0.30 -4.84 105.19 102.94 3lyx n GLY 103 Ca -0.19 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.48 3lyx n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lyx n GLU 104 N 0.00 0.74 -0.82 1.61 -0.58 -1.26 -4.17 120.64 116.16 3lyx n GLU 104 Ca 0.00 -0.52 -0.05 0.00 -0.42 0.00 0.00 57.16 56.17 3lyx n GLU 104 Cb 0.00 -1.49 0.21 0.00 -0.57 0.00 0.00 31.44 29.59 3lyx n GLU 104 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3lyx n ASN 105 N -0.67 2.79 -2.31 1.62 5.03 -1.26 -4.94 115.26 115.52 3lyx n ASN 105 Ca 0.10 -3.67 -0.16 0.00 0.87 0.00 0.00 54.58 51.71 3lyx n ASN 105 Cb 0.38 -0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 38.47 3lyx n ASN 105 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3lyx n TYR 106 N -1.05 -1.10 -4.64 3.10 4.01 -1.26 -4.97 117.16 111.26 3lyx n TYR 106 Ca 0.35 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.78 3lyx n TYR 106 Cb 1.09 -3.30 -0.13 0.00 -0.31 0.00 0.00 39.34 36.70 3lyx n TYR 106 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3lyx s GLN 107 N -4.84 2.04 0.14 -0.72 0.00 -1.26 -4.96 119.66 110.06 3lyx s GLN 107 Ca 0.00 -1.00 -0.31 0.00 -0.00 0.00 0.00 55.36 54.06 3lyx s GLN 107 Cb 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 33.01 30.75 3lyx s GLN 107 CO 0.00 0.54 1.32 1.41 0.00 0.00 0.00 175.29 178.56 3lyx s MET 108 N -1.47 4.37 0.00 9.60 -2.45 -1.26 -1.15 119.30 126.93 3lyx s MET 108 Ca 0.15 2.01 0.00 0.00 -1.25 0.00 0.00 55.69 56.60 3lyx s MET 108 Cb -0.10 -3.24 0.00 0.00 1.25 0.00 0.00 34.83 32.74 3lyx s MET 108 CO 0.05 -0.32 0.85 1.33 1.05 0.00 0.00 175.02 177.98 3lyx n VAL 109 N 3.34 0.71 -1.05 10.11 0.24 -0.44 -4.84 118.33 126.40 3lyx n VAL 109 Ca 0.09 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 3lyx n VAL 109 Cb 0.43 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 3lyx n VAL 109 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lyx n GLY 110 N -0.35 -0.15 3.14 7.63 0.00 -1.22 -3.04 105.19 111.19 3lyx n GLY 110 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.00 0.39 -0.17 4.61 0.00 -0.33 -1.10 121.76 124.16 3lyx s ALA 111 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3lyx s ALA 111 Cb 0.00 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.58 3lyx s ALA 111 CO 0.00 -0.43 -0.20 -1.17 0.00 0.00 0.00 175.76 173.96 3lyx s LEU 112 N -2.93 2.17 -0.09 0.00 2.96 0.65 -0.85 118.68 120.59 3lyx s LEU 112 Ca 0.10 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3lyx s LEU 112 Cb 0.07 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 3lyx s LEU 112 CO -0.08 0.02 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.04 3lyx s GLY 113 N 1.16 1.61 -0.11 7.98 0.00 0.82 -1.68 107.32 117.11 3lyx s GLY 113 Ca 0.02 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.86 3lyx s GLY 113 CO -0.09 -0.50 -0.23 -0.42 0.00 0.00 0.00 173.10 171.85 3lyx s ILE 114 N -0.35 1.99 0.05 0.90 1.09 -0.32 -0.95 121.20 123.62 3lyx s ILE 114 Ca 0.04 -0.97 0.02 0.00 -1.10 0.00 0.00 60.65 58.64 3lyx s ILE 114 Cb -0.12 -1.73 -0.03 0.00 -1.06 0.00 0.00 42.46 39.51 3lyx s ILE 114 CO 0.02 0.54 -0.07 0.20 -0.10 0.00 0.00 174.94 175.53 3lyx s ASN 115 N 0.47 0.91 -0.12 3.58 0.01 -0.19 -1.41 114.94 118.20 3lyx s ASN 115 Ca -0.16 -0.66 -0.06 0.00 -0.71 0.00 0.00 52.86 51.26 3lyx s ASN 115 Cb -0.17 0.05 0.05 0.00 0.41 0.00 0.00 41.25 41.59 3lyx s ASN 115 CO 0.06 -0.27 0.28 -0.13 -1.51 0.00 0.00 177.10 175.53 3lyx s ARG 116 N -2.13 0.26 0.29 -0.60 0.52 -0.53 -1.75 118.95 115.00 3lyx s ARG 116 Ca -0.05 0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 55.43 3lyx s ARG 116 Cb -0.06 -0.08 -0.12 0.00 0.52 0.00 0.00 34.95 35.22 3lyx s ARG 116 CO -0.01 -0.15 1.62 -3.47 0.02 0.00 0.00 175.30 173.31 3lyx n ASP 117 N 4.12 3.93 0.00 0.23 2.03 -1.26 -0.38 116.55 125.21 3lyx n ASP 117 Ca -0.24 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.21 3lyx n ASP 117 Cb 0.54 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 3lyx n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3lyx n ILE 118 N 2.37 0.05 -0.34 5.18 0.13 0.15 -4.80 119.36 122.10 3lyx n ILE 118 Ca 0.09 -0.15 -0.09 0.00 -1.10 0.00 0.00 62.75 61.51 3lyx n ILE 118 Cb 0.37 1.58 -0.08 0.00 -0.84 0.00 0.00 39.64 40.66 3lyx n ILE 118 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3lyx n THR 119 N -0.03 -0.55 -1.71 9.51 -2.24 -0.45 -4.12 114.28 114.69 3lyx n THR 119 Ca 0.00 2.18 -0.43 0.00 -2.27 0.00 0.00 64.05 63.53 3lyx n THR 119 Cb 0.24 -2.72 -0.03 0.00 -2.10 0.00 0.00 70.33 65.72 3lyx n THR 119 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3lyx n LYS 120 N -4.85 2.70 -0.65 -0.78 3.00 -1.26 -4.81 118.16 111.51 3lyx n LYS 120 Ca 0.02 0.97 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 3lyx n LYS 120 Cb 0.21 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.43 3lyx n LYS 120 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29