#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lyn s ASN 12 N 0.00 4.74 0.21 9.51 2.20 -1.26 -4.72 114.94 125.63 3lyn s ASN 12 Ca 0.00 1.80 -0.09 0.00 -0.94 0.00 0.00 52.86 53.63 3lyn s ASN 12 Cb 0.00 -2.52 0.28 0.00 -2.00 0.00 0.00 41.25 37.01 3lyn s ASN 12 CO 0.00 -1.88 1.76 0.50 -2.94 0.00 0.00 177.10 174.54 3lyn h LYS 13 N -0.94 0.48 -0.57 3.55 1.63 -1.97 0.97 116.57 119.73 3lyn h LYS 13 Ca -0.44 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.29 3lyn h LYS 13 Cb 1.23 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.72 3lyn h LYS 13 CO 0.53 0.32 0.17 0.00 -3.45 0.00 0.00 179.45 177.01 3lyn h ALA 14 N 1.40 1.24 -0.20 5.00 0.00 -2.00 -0.33 119.26 124.37 3lyn h ALA 14 Ca 0.31 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3lyn h ALA 14 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3lyn h ALA 14 CO -0.27 0.54 -0.62 1.88 0.00 0.00 0.00 179.25 180.78 3lyn h TYR 15 N 0.83 0.87 -0.43 0.00 0.05 -1.64 -2.50 116.97 114.15 3lyn h TYR 15 Ca 0.19 -0.33 0.06 0.00 0.05 0.00 0.00 58.73 58.69 3lyn h TYR 15 Cb 0.25 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 3lyn h TYR 15 CO 0.02 1.12 0.13 1.49 -1.05 0.00 0.00 178.16 179.87 3lyn h GLU 16 N 0.50 0.28 -0.28 4.88 4.81 -0.35 -2.04 114.58 122.38 3lyn h GLU 16 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3lyn h GLU 16 Cb 1.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3lyn h GLU 16 CO 0.12 0.19 0.08 0.28 -0.73 0.00 0.00 179.01 178.95 3lyn h VAL 17 N 0.29 1.20 -0.12 0.32 2.07 -0.87 -1.31 116.25 117.83 3lyn h VAL 17 Ca 0.20 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3lyn h VAL 17 Cb 0.21 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3lyn h VAL 17 CO -0.22 0.22 -0.17 0.00 0.02 0.00 0.00 177.57 177.41 3lyn h THR 18 N 0.28 1.19 -0.36 2.57 1.03 -1.31 -2.12 112.91 114.19 3lyn h THR 18 Ca 0.09 -0.85 -0.11 0.00 -0.01 0.00 0.00 66.41 65.53 3lyn h THR 18 Cb 0.25 1.29 -0.01 0.00 -1.07 0.00 0.00 68.15 68.61 3lyn h THR 18 CO -0.00 0.26 -0.23 0.24 -0.01 0.00 0.00 175.52 175.78 3lyn h MET 19 N 0.18 0.78 -0.79 0.00 2.86 -0.92 -1.64 114.93 115.41 3lyn h MET 19 Ca 0.04 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3lyn h MET 19 Cb 0.42 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 3lyn h MET 19 CO 0.03 0.99 0.44 0.87 1.06 0.00 0.00 176.91 180.30 3lyn h LYS 20 N 0.57 1.09 -0.13 1.72 1.57 -0.99 0.12 116.57 120.51 3lyn h LYS 20 Ca 0.07 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3lyn h LYS 20 Cb 0.79 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3lyn h LYS 20 CO 0.06 0.80 0.08 0.82 -0.57 0.00 0.00 179.45 180.64 3lyn h ILE 21 N 1.09 1.08 -0.38 1.86 2.04 -1.25 -1.09 117.51 120.85 3lyn h ILE 21 Ca 0.28 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.79 3lyn h ILE 21 Cb 0.02 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3lyn h ILE 21 CO -0.05 0.07 -0.34 1.56 0.00 0.00 0.00 178.15 179.39 3lyn h GLN 22 N 0.14 0.87 -0.12 2.37 1.08 -0.96 -0.65 115.11 117.84 3lyn h GLN 22 Ca 0.05 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 56.80 3lyn h GLN 22 Cb 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3lyn h GLN 22 CO -0.01 1.07 0.01 0.82 -0.95 0.00 0.00 178.83 179.78 3lyn h ILE 23 N 0.73 1.23 -0.75 2.54 2.04 -0.74 0.25 117.51 122.81 3lyn h ILE 23 Ca 0.07 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 3lyn h ILE 23 Cb 0.91 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3lyn h ILE 23 CO 0.08 0.22 0.28 0.40 0.00 0.00 0.00 178.15 179.13 3lyn h ILE 24 N -0.04 1.26 -0.49 -0.67 2.04 -1.19 0.08 117.51 118.51 3lyn h ILE 24 Ca 0.04 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3lyn h ILE 24 Cb 0.32 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3lyn h ILE 24 CO 0.00 0.34 0.26 0.28 0.00 0.00 0.00 178.15 179.04 3lyn h SER 25 N 1.09 0.61 -0.46 1.72 0.02 -1.00 -0.76 113.55 114.78 3lyn h SER 25 Ca 0.25 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3lyn h SER 25 Cb 0.25 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3lyn h SER 25 CO -0.02 0.53 0.12 1.23 -1.14 0.00 0.00 176.83 177.56 3lyn h GLY 26 N 0.65 0.79 1.01 -3.77 0.00 -0.51 -0.40 103.07 100.84 3lyn h GLY 26 Ca 0.17 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3lyn h GLY 26 CO -0.03 0.46 0.45 0.74 0.00 0.00 0.00 176.54 178.16 3lyn h PHE 27 N 0.62 1.07 -0.70 5.60 0.04 -0.82 -0.71 116.94 122.04 3lyn h PHE 27 Ca 0.15 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 3lyn h PHE 27 Cb 0.31 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3lyn h PHE 27 CO 0.02 0.74 0.36 -0.44 -0.60 0.00 0.00 178.31 178.39 3lyn h ASP 28 N 1.09 0.87 -0.34 2.17 5.19 -0.86 -0.55 116.42 123.99 3lyn h ASP 28 Ca 0.28 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.48 3lyn h ASP 28 Cb 0.01 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 3lyn h ASP 28 CO -0.05 0.72 -0.31 0.03 -3.12 0.00 0.00 179.24 176.51 3lyn h ARG 29 N 0.98 0.81 -0.60 3.56 3.08 -0.47 -0.24 114.38 121.49 3lyn h ARG 29 Ca 0.24 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.89 3lyn h ARG 29 Cb 0.05 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3lyn h ARG 29 CO -0.04 1.05 0.39 1.96 -1.07 0.00 0.00 179.97 182.26 3lyn h GLN 30 N 0.59 0.76 -0.29 0.04 4.20 -0.46 -1.01 115.11 118.95 3lyn h GLN 30 Ca 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3lyn h GLN 30 Cb 0.88 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3lyn h GLN 30 CO 0.08 0.50 0.14 1.25 -0.67 0.00 0.00 178.83 180.14 3lyn h LEU 31 N 0.79 0.37 -1.14 1.46 5.85 -1.03 0.19 115.31 121.79 3lyn h LEU 31 Ca 0.23 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3lyn h LEU 31 Cb -0.05 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3lyn h LEU 31 CO -0.07 0.38 0.59 0.74 -0.34 0.00 0.00 178.44 179.75 3lyn h THR 32 N 0.34 1.01 0.17 1.05 2.02 -0.77 0.13 112.91 116.86 3lyn h THR 32 Ca 0.10 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3lyn h THR 32 Cb 0.10 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 3lyn h THR 32 CO -0.01 0.18 -0.08 0.00 0.37 0.00 0.00 175.52 175.97 3lyn h ALA 33 N 1.53 -0.23 -0.48 6.16 0.00 -0.77 -3.12 119.26 122.34 3lyn h ALA 33 Ca 0.41 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.25 3lyn h ALA 33 Cb 0.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3lyn h ALA 33 CO -0.17 -0.44 0.34 2.35 0.00 0.00 0.00 179.25 181.33 3lyn h TRP 34 N -0.62 0.16 0.00 0.00 7.01 -0.49 -1.68 115.95 120.33 3lyn h TRP 34 Ca -0.02 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 3lyn h TRP 34 Cb 0.46 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 3lyn h TRP 34 CO 0.04 0.07 -0.37 -0.07 -2.79 0.00 0.00 178.44 175.33 3lyn h LEU 35 N 0.15 0.00 -1.42 0.65 3.38 -0.70 -0.31 115.31 117.06 3lyn h LEU 35 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3lyn h LEU 35 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3lyn h LEU 35 CO -0.03 0.37 0.27 0.03 0.09 0.00 0.00 178.44 179.17 3lyn h ARG 36 N 0.00 0.66 0.07 1.13 2.47 -1.33 0.40 114.38 117.78 3lyn h ARG 36 Ca -0.00 -0.06 -0.20 0.00 -1.26 0.00 0.00 59.98 58.46 3lyn h ARG 36 Cb 0.69 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3lyn h ARG 36 CO 0.05 0.48 -1.01 0.28 0.56 0.00 0.00 179.97 180.33 3lyn h VAL 37 N 0.67 1.23 -0.21 2.04 2.07 -1.54 -3.42 116.25 117.09 3lyn h VAL 37 Ca 0.17 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.33 3lyn h VAL 37 Cb 0.01 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 3lyn h VAL 37 CO -0.03 0.60 0.00 1.41 0.02 0.00 0.00 177.57 179.57 3lyn n HIS 38 N -4.20 0.27 0.38 1.57 8.25 -0.17 -4.66 115.22 116.67 3lyn n HIS 38 Ca -0.22 -0.32 0.06 0.00 -0.26 0.00 0.00 57.72 56.98 3lyn n HIS 38 Cb 0.76 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.93 3lyn n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lyn n GLY 39 N 0.47 0.47 0.32 -1.41 0.00 0.14 -4.59 105.19 100.59 3lyn n GLY 39 Ca 0.09 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.80 3lyn n GLY 39 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3lyn h ARG 40 N 2.51 0.64 -0.56 1.61 9.65 -1.83 -2.45 114.38 123.95 3lyn h ARG 40 Ca 0.00 -0.04 -0.23 0.00 -1.10 0.00 0.00 59.98 58.61 3lyn h ARG 40 Cb 0.59 -0.15 -0.14 0.00 -1.39 0.00 0.00 29.97 28.89 3lyn h ARG 40 CO 0.00 0.43 0.17 0.54 2.80 0.00 0.00 179.97 183.91 3lyn n ARG 41 N -4.84 2.53 -3.52 0.20 1.74 -1.26 -4.97 116.66 106.54 3lyn n ARG 41 Ca 0.18 -3.07 -0.28 0.00 -0.77 0.00 0.00 57.85 53.92 3lyn n ARG 41 Cb 0.46 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 3lyn n ARG 41 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3lyn s LEU 42 N -3.13 4.14 0.75 0.55 1.43 -0.93 -5.09 118.68 116.40 3lyn s LEU 42 Ca 0.49 0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 3lyn s LEU 42 Cb 0.42 -3.34 0.05 0.00 0.03 0.00 0.00 46.19 43.35 3lyn s LEU 42 CO 0.07 -0.13 1.12 0.42 0.23 0.00 0.00 176.35 178.06 3lyn s THR 43 N -2.00 2.63 0.33 5.49 -4.23 -1.26 -4.89 115.64 111.72 3lyn s THR 43 Ca 0.41 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 3lyn s THR 43 Cb -0.11 -3.19 0.24 0.00 1.34 0.00 0.00 72.50 70.78 3lyn s THR 43 CO 0.30 -0.25 1.97 0.78 -0.54 0.00 0.00 174.62 176.88 3lyn h ASN 44 N -0.83 0.74 -0.28 3.99 2.35 -1.98 -0.91 115.58 118.66 3lyn h ASN 44 Ca -0.45 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.26 3lyn h ASN 44 Cb 1.30 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 3lyn h ASN 44 CO 0.64 0.58 0.15 0.78 -1.65 0.00 0.00 177.43 177.94 3lyn h ASN 45 N 0.85 0.24 -0.63 5.81 2.35 -1.99 -0.60 115.58 121.60 3lyn h ASN 45 Ca 0.22 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 3lyn h ASN 45 Cb -0.00 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3lyn h ASN 45 CO -0.04 0.18 0.06 1.56 -1.65 0.00 0.00 177.43 177.54 3lyn h GLN 46 N 0.31 1.08 -0.26 0.81 4.20 -1.66 0.35 115.11 119.94 3lyn h GLN 46 Ca 0.11 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 3lyn h GLN 46 Cb 0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3lyn h GLN 46 CO -0.06 1.02 0.16 0.87 -0.67 0.00 0.00 178.83 180.15 3lyn h LYS 47 N 0.99 0.35 -0.55 1.46 1.57 -1.06 -2.10 116.57 117.23 3lyn h LYS 47 Ca 0.19 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3lyn h LYS 47 Cb 0.49 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3lyn h LYS 47 CO 0.02 0.27 0.37 0.87 -0.57 0.00 0.00 179.45 180.40 3lyn h LYS 48 N 0.33 0.67 -0.80 3.15 1.57 -0.74 -1.34 116.57 119.41 3lyn h LYS 48 Ca 0.09 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3lyn h LYS 48 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 3lyn h LYS 48 CO -0.02 0.44 0.36 1.15 -0.57 0.00 0.00 179.45 180.81 3lyn h THR 49 N 0.69 1.26 -0.12 -0.16 2.02 -0.63 -1.89 112.91 114.07 3lyn h THR 49 Ca 0.21 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.51 3lyn h THR 49 Cb 0.01 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3lyn h THR 49 CO -0.05 0.32 -0.49 -0.07 0.37 0.00 0.00 175.52 175.59 3lyn h LEU 50 N 1.15 0.34 -0.83 2.58 3.38 -0.59 0.16 115.31 121.50 3lyn h LEU 50 Ca 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3lyn h LEU 50 Cb 0.16 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3lyn h LEU 50 CO -0.03 0.78 0.47 -0.26 0.09 0.00 0.00 178.44 179.49 3lyn h PHE 51 N 0.25 1.13 -0.68 1.13 0.04 -1.22 -1.76 116.94 115.83 3lyn h PHE 51 Ca 0.01 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3lyn h PHE 51 Cb 0.96 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.70 3lyn h PHE 51 CO 0.02 0.78 0.43 0.35 -0.60 0.00 0.00 178.31 179.29 3lyn h PHE 52 N 1.15 0.80 -0.84 -0.55 3.57 -0.86 -2.69 116.94 117.52 3lyn h PHE 52 Ca 0.29 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.91 3lyn h PHE 52 Cb 0.01 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.42 3lyn h PHE 52 CO 0.00 0.46 0.55 0.28 -2.23 0.00 0.00 178.31 177.37 3lyn h VAL 53 N 0.84 0.97 -0.81 1.41 2.07 0.11 -0.83 116.25 120.01 3lyn h VAL 53 Ca 0.27 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3lyn h VAL 53 Cb 0.01 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 3lyn h VAL 53 CO -0.10 0.15 0.53 0.78 0.02 0.00 0.00 177.57 178.95 3lyn h ASN 54 N 0.82 0.92 -0.28 0.57 2.35 -1.01 0.34 115.58 119.29 3lyn h ASN 54 Ca 0.39 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 56.03 3lyn h ASN 54 Cb 0.40 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3lyn h ASN 54 CO -0.16 0.66 -0.17 0.03 -1.65 0.00 0.00 177.43 176.15 3lyn h ARG 55 N 1.08 0.61 -0.76 0.81 3.08 -1.20 -2.22 114.38 115.78 3lyn h ARG 55 Ca 0.30 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3lyn h ARG 55 Cb -0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3lyn h ARG 55 CO -0.07 0.86 0.49 -0.09 -1.07 0.00 0.00 179.97 180.09 3lyn h ARG 56 N 0.35 1.02 -0.51 0.04 9.65 -0.98 -1.08 114.38 122.87 3lyn h ARG 56 Ca 0.06 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 58.91 3lyn h ARG 56 Cb 0.70 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 3lyn h ARG 56 CO 0.05 0.69 0.25 -0.92 2.80 0.00 0.00 179.97 182.84 3lyn h TYR 57 N 1.04 0.47 -0.44 2.20 5.03 -0.21 -0.12 116.97 124.94 3lyn h TYR 57 Ca 0.28 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.61 3lyn h TYR 57 Cb -0.10 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 3lyn h TYR 57 CO -0.02 0.23 0.27 1.98 -1.32 0.00 0.00 178.16 179.30 3lyn h MET 58 N 0.50 0.59 -0.23 1.82 4.05 -0.93 -1.93 114.93 118.80 3lyn h MET 58 Ca 0.22 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 3lyn h MET 58 Cb 0.14 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 3lyn h MET 58 CO -0.16 0.43 0.05 1.96 0.23 0.00 0.00 176.91 179.41 3lyn h GLN 59 N 0.59 0.14 0.00 0.39 4.20 -0.62 -1.58 115.11 118.22 3lyn h GLN 59 Ca 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3lyn h GLN 59 Cb -0.02 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3lyn h GLN 59 CO -0.03 0.09 0.00 0.25 -0.67 0.00 0.00 178.83 178.47 3lyn n THR 60 N -5.08 0.60 -0.27 -0.54 -2.24 -0.11 -2.33 114.28 104.30 3lyn n THR 60 Ca -0.02 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 3lyn n THR 60 Cb 0.10 -0.76 0.27 0.00 -2.10 0.00 0.00 70.33 67.84 3lyn n THR 60 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lyn n HIS 61 N -2.09 0.82 -0.21 4.78 8.25 -0.74 -4.67 115.22 121.36 3lyn n HIS 61 Ca 0.05 -0.48 -0.04 0.00 -0.26 0.00 0.00 57.72 56.99 3lyn n HIS 61 Cb 0.34 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.51 3lyn n HIS 61 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3lyn h TRP 62 N 3.75 0.67 -0.48 4.41 2.91 -0.89 -0.16 115.95 126.15 3lyn h TRP 62 Ca 0.00 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.95 3lyn h TRP 62 Cb 0.92 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.34 3lyn h TRP 62 CO 0.41 0.37 -0.06 0.37 -1.03 0.00 0.00 178.44 178.51 3lyn h GLN 63 N 0.70 0.85 -0.69 2.65 4.15 -1.83 -1.10 115.11 119.83 3lyn h GLN 63 Ca 0.25 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 3lyn h GLN 63 Cb 0.05 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3lyn h GLN 63 CO -0.11 0.88 0.39 -0.91 -1.93 0.00 0.00 178.83 177.15 3lyn h ASN 64 N 0.77 0.86 -0.00 -0.69 -0.26 -1.72 -2.36 115.58 112.18 3lyn h ASN 64 Ca 0.14 -0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.69 3lyn h ASN 64 Cb 0.55 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 3lyn h ASN 64 CO 0.03 0.69 -0.29 1.88 -1.06 0.00 0.00 177.43 178.68 3lyn h TYR 65 N 0.95 0.50 -0.40 1.19 0.05 -0.25 -2.10 116.97 116.92 3lyn h TYR 65 Ca 0.25 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.81 3lyn h TYR 65 Cb 0.02 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3lyn h TYR 65 CO -0.01 0.70 -0.17 0.52 -1.05 0.00 0.00 178.16 178.15 3lyn h MET 66 N 0.39 0.74 -0.30 4.88 2.86 -1.00 0.33 114.93 122.83 3lyn h MET 66 Ca 0.05 -0.27 -0.15 0.00 -2.06 0.00 0.00 59.70 57.27 3lyn h MET 66 Cb 0.72 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3lyn h MET 66 CO 0.05 0.86 -0.43 -0.07 1.06 0.00 0.00 176.91 178.39 3lyn h LEU 67 N 0.66 0.81 -0.45 1.22 3.38 -1.26 -1.26 115.31 118.41 3lyn h LEU 67 Ca 0.10 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3lyn h LEU 67 Cb 0.65 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3lyn h LEU 67 CO 0.05 1.13 0.20 -0.25 0.09 0.00 0.00 178.44 179.65 3lyn h TRP 68 N 0.61 0.67 -0.55 1.13 7.01 -0.99 -2.33 115.95 121.51 3lyn h TRP 68 Ca 0.04 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 3lyn h TRP 68 Cb 0.99 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 3lyn h TRP 68 CO 0.05 0.56 0.29 0.28 -2.79 0.00 0.00 178.44 176.84 3lyn h VAL 69 N 0.59 1.19 -0.76 2.65 2.07 -0.24 -0.19 116.25 121.56 3lyn h VAL 69 Ca 0.15 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.25 3lyn h VAL 69 Cb 0.16 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 3lyn h VAL 69 CO -0.02 0.20 0.44 0.11 0.02 0.00 0.00 177.57 178.33 3lyn h LYS 70 N 0.73 0.77 -0.33 1.57 6.56 -1.11 0.16 116.57 124.91 3lyn h LYS 70 Ca 0.19 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.69 3lyn h LYS 70 Cb 0.06 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 3lyn h LYS 70 CO -0.03 0.51 0.04 0.00 -2.06 0.00 0.00 179.45 177.91 3lyn h ARG 71 N 0.79 0.56 -0.62 3.15 2.47 -1.01 -0.05 114.38 119.67 3lyn h ARG 71 Ca 0.34 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 3lyn h ARG 71 Cb 0.22 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 3lyn h ARG 71 CO -0.19 0.66 0.31 0.87 0.56 0.00 0.00 179.97 182.17 3lyn h LYS 72 N 0.38 0.86 -0.15 0.04 1.79 -0.12 -2.30 116.57 117.08 3lyn h LYS 72 Ca 0.10 -0.10 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 3lyn h LYS 72 Cb 0.38 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3lyn h LYS 72 CO 0.01 0.66 -0.67 0.82 -1.08 0.00 0.00 179.45 179.18 3lyn h ILE 73 N 0.87 1.33 -0.37 1.86 1.08 -0.52 -2.52 117.51 119.23 3lyn h ILE 73 Ca 0.22 -1.96 0.03 0.00 -0.39 0.00 0.00 64.86 62.75 3lyn h ILE 73 Cb 0.07 1.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.73 3lyn h ILE 73 CO -0.03 0.61 0.24 0.11 -0.69 0.00 0.00 178.15 178.39 3lyn h LYS 74 N 0.43 0.39 -0.01 2.37 1.57 -0.51 -2.55 116.57 118.25 3lyn h LYS 74 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3lyn h LYS 74 Cb 1.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3lyn h LYS 74 CO 0.13 0.26 -0.01 0.00 -0.57 0.00 0.00 179.45 179.25 3lyn n ALA 75 N -2.50 2.63 -0.04 3.86 0.00 -0.91 -4.44 120.51 119.12 3lyn n ALA 75 Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.08 3lyn n ALA 75 Cb 0.14 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.52 3lyn n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3lyn h LEU 76 N 1.52 0.60 0.00 0.00 7.12 -1.15 -3.47 115.31 119.92 3lyn h LEU 76 Ca 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.86 3lyn h LEU 76 Cb 0.34 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.31 3lyn h LEU 76 CO 0.00 0.72 0.00 0.61 -0.13 0.00 0.00 178.44 179.64 3lyn n GLY 77 N -0.62 0.79 3.59 3.75 0.00 -1.26 -5.02 105.19 106.41 3lyn n GLY 77 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 3lyn n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3lyn s ARG 78 N -0.64 0.40 0.47 1.61 1.70 -1.26 -5.15 118.95 116.08 3lyn s ARG 78 Ca 0.00 -0.16 -0.24 0.00 -0.47 0.00 0.00 55.73 54.86 3lyn s ARG 78 Cb 0.00 0.18 -0.08 0.00 -0.57 0.00 0.00 34.95 34.48 3lyn s ARG 78 CO 0.00 -0.18 1.36 -2.30 -1.08 0.00 0.00 175.30 173.11 3lyn n PRO 79 N -0.16 2.02 -2.17 3.89 -0.02 -1.26 -4.96 135.00 132.34 3lyn n PRO 79 Ca -0.02 0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 61.87 3lyn n PRO 79 Cb 0.59 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 3lyn n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lyn s ALA 80 N -1.22 3.11 0.31 3.55 0.00 -1.26 -5.09 121.76 121.16 3lyn s ALA 80 Ca 0.64 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.65 3lyn s ALA 80 Cb -0.46 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3lyn s ALA 80 CO 0.56 -0.45 0.26 0.00 0.00 0.00 0.00 175.76 176.13 3lyn s ALA 81 N -2.89 1.70 0.42 0.00 0.00 -1.26 -5.03 121.76 114.70 3lyn s ALA 81 Ca 0.56 -1.99 0.10 0.00 0.00 0.00 0.00 51.96 50.63 3lyn s ALA 81 Cb -0.10 1.45 0.90 0.00 0.00 0.00 0.00 23.12 25.37 3lyn s ALA 81 CO 0.43 -0.66 2.02 -0.24 0.00 0.00 0.00 175.76 177.31 3lyn h VAL 82 N 2.21 1.11 -0.66 0.00 3.04 -1.98 -1.40 116.25 118.56 3lyn h VAL 82 Ca -0.27 -0.40 0.06 0.00 -1.01 0.00 0.00 66.70 65.09 3lyn h VAL 82 Cb 1.23 0.89 -0.04 0.00 -2.01 0.00 0.00 31.29 31.36 3lyn h VAL 82 CO 0.39 0.14 0.44 1.23 -1.01 0.00 0.00 177.57 178.76 3lyn h GLY 83 N 0.52 0.85 1.10 3.17 0.00 -1.99 0.30 103.07 107.01 3lyn h GLY 83 Ca 0.08 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3lyn h GLY 83 CO -0.00 0.20 -0.13 -0.55 0.00 0.00 0.00 176.54 176.06 3lyn h ASP 84 N 0.68 1.04 -0.27 0.19 3.32 -1.66 -1.14 116.42 118.57 3lyn h ASP 84 Ca 0.29 -0.36 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 3lyn h ASP 84 Cb 0.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3lyn h ASP 84 CO -0.09 1.16 -0.28 1.88 -1.72 0.00 0.00 179.24 180.19 3lyn h TYR 85 N 0.90 0.89 -0.64 4.55 0.05 -1.15 0.63 116.97 122.20 3lyn h TYR 85 Ca 0.14 -0.22 0.01 0.00 0.05 0.00 0.00 58.73 58.70 3lyn h TYR 85 Cb 0.70 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 3lyn h TYR 85 CO 0.05 0.96 0.42 1.15 -1.05 0.00 0.00 178.16 179.70 3lyn h THR 86 N 0.66 1.16 -0.39 -2.88 2.02 -0.84 0.15 112.91 112.79 3lyn h THR 86 Ca 0.08 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3lyn h THR 86 Cb 0.81 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3lyn h THR 86 CO 0.07 0.16 0.07 -0.09 0.37 0.00 0.00 175.52 176.09 3lyn h ARG 87 N 0.87 0.64 -0.43 6.66 2.43 -0.94 -0.32 114.38 123.29 3lyn h ARG 87 Ca 0.23 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3lyn h ARG 87 Cb -0.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3lyn h ARG 87 CO -0.05 0.69 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.79 3lyn h LEU 88 N 0.49 0.90 -0.87 3.80 3.38 -0.56 0.20 115.31 122.64 3lyn h LEU 88 Ca 0.12 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3lyn h LEU 88 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3lyn h LEU 88 CO 0.01 1.09 0.16 1.23 0.09 0.00 0.00 178.44 181.02 3lyn h GLY 89 N 0.92 1.07 1.72 0.83 0.00 -0.63 0.45 103.07 107.44 3lyn h GLY 89 Ca 0.10 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 3lyn h GLY 89 CO 0.06 0.60 -0.32 0.00 0.00 0.00 0.00 176.54 176.88 3lyn h ALA 90 N 1.22 1.16 -0.14 3.60 0.00 -0.48 0.28 119.26 124.89 3lyn h ALA 90 Ca 0.21 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3lyn h ALA 90 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3lyn h ALA 90 CO -0.00 0.55 -0.11 0.93 0.00 0.00 0.00 179.25 180.62 3lyn h GLU 91 N 0.28 0.32 -0.54 0.00 5.08 -0.35 -1.74 114.58 117.61 3lyn h GLU 91 Ca 0.04 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3lyn h GLU 91 Cb 0.71 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 3lyn h GLU 91 CO 0.05 0.69 0.26 0.82 -1.00 0.00 0.00 179.01 179.83 3lyn h ILE 92 N -0.05 0.92 -0.73 3.13 2.04 -0.79 -0.16 117.51 121.87 3lyn h ILE 92 Ca 0.03 -0.17 0.16 0.00 1.00 0.00 0.00 64.86 65.87 3lyn h ILE 92 Cb 0.62 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3lyn h ILE 92 CO 0.03 0.09 0.49 1.23 0.00 0.00 0.00 178.15 179.99 3lyn h GLY 93 N 0.50 0.55 0.45 5.37 0.00 -0.66 -2.27 103.07 107.02 3lyn h GLY 93 Ca 0.25 -0.14 -0.30 0.00 0.00 0.00 0.00 47.33 47.14 3lyn h GLY 93 CO -0.19 0.04 -1.62 -0.09 0.00 0.00 0.00 176.54 174.69 3lyn h ARG 94 N 0.32 0.20 0.00 4.80 2.43 -0.73 -3.20 114.38 118.19 3lyn h ARG 94 Ca 0.36 -0.34 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 3lyn h ARG 94 Cb 0.93 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3lyn h ARG 94 CO -0.10 1.16 -1.76 0.54 -1.51 0.00 0.00 179.97 178.31 3lyn n ARG 95 N -3.87 0.64 -1.76 0.20 1.74 -0.12 -4.90 116.66 108.59 3lyn n ARG 95 Ca -0.29 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.45 3lyn n ARG 95 Cb 0.91 -1.68 -0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3lyn n ARG 95 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3lyn n VAL 96 N -2.72 2.05 -3.27 1.55 0.31 -0.86 -4.89 118.33 110.50 3lyn n VAL 96 Ca -0.14 -0.50 -0.46 0.00 -0.01 0.00 0.00 64.34 63.23 3lyn n VAL 96 Cb 0.85 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.86 3lyn n VAL 96 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3lyn s ASP 97 N -0.18 6.81 0.56 4.52 2.15 -1.26 -4.71 116.67 124.55 3lyn s ASP 97 Ca 0.54 -2.70 0.30 0.00 0.43 0.00 0.00 52.55 51.12 3lyn s ASP 97 Cb -0.49 -2.24 1.65 0.00 -0.30 0.00 0.00 42.92 41.54 3lyn s ASP 97 CO 0.63 -0.62 2.16 0.24 -0.17 0.00 0.00 175.17 177.41 3lyn h MET 98 N 7.81 0.00 -0.47 4.34 2.86 -1.94 -2.48 114.93 125.05 3lyn h MET 98 Ca 0.13 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3lyn h MET 98 Cb 1.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 3lyn h MET 98 CO 0.83 0.07 -0.03 0.28 1.06 0.00 0.00 176.91 179.12 3lyn h VAL 99 N 0.00 1.25 0.00 -2.22 2.07 -1.94 0.13 116.25 115.54 3lyn h VAL 99 Ca -0.00 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3lyn h VAL 99 Cb 0.20 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3lyn h VAL 99 CO 0.01 0.37 -0.18 -0.26 0.02 0.00 0.00 177.57 177.53 3lyn h PHE 100 N 0.73 0.00 0.24 1.57 0.04 -1.84 -0.76 116.94 116.92 3lyn h PHE 100 Ca 0.14 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.57 3lyn h PHE 100 Cb 0.49 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.67 3lyn h PHE 100 CO 0.03 0.18 -1.54 0.35 -0.60 0.00 0.00 178.31 176.72 3lyn h PHE 101 N 0.00 0.91 -0.47 -0.55 3.57 -1.30 -2.58 116.94 116.52 3lyn h PHE 101 Ca -0.00 -0.66 -0.05 0.00 3.53 0.00 0.00 57.97 60.79 3lyn h PHE 101 Cb 0.40 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3lyn h PHE 101 CO 0.00 1.59 0.10 1.88 -2.23 0.00 0.00 178.31 179.66 3lyn h TYR 102 N 0.12 0.74 -0.48 0.41 0.05 -0.61 -1.71 116.97 115.49 3lyn h TYR 102 Ca -0.28 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.38 3lyn h TYR 102 Cb 2.14 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 39.64 3lyn h TYR 102 CO 0.12 0.64 0.06 -0.91 -1.05 0.00 0.00 178.16 177.02 3lyn h ASN 103 N 0.70 0.72 -0.20 3.88 2.35 -1.19 -1.84 115.58 120.00 3lyn h ASN 103 Ca 0.16 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3lyn h ASN 103 Cb 0.28 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3lyn h ASN 103 CO -0.00 0.75 -0.09 0.15 -1.65 0.00 0.00 177.43 176.59 3lyn h PHE 104 N 0.73 0.47 0.13 1.19 3.57 -0.94 0.17 116.94 122.24 3lyn h PHE 104 Ca 0.15 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3lyn h PHE 104 Cb 0.36 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3lyn h PHE 104 CO 0.02 0.70 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.66 3lyn h LEU 105 N 0.10 -0.14 -0.59 0.59 3.38 -1.24 -2.52 115.31 114.88 3lyn h LEU 105 Ca 0.04 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3lyn h LEU 105 Cb 0.57 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3lyn h LEU 105 CO 0.03 0.22 0.20 -1.28 0.09 0.00 0.00 178.44 177.70 3lyn h SER 106 N -0.53 0.85 -0.15 -0.43 0.87 -1.44 0.98 113.55 113.71 3lyn h SER 106 Ca -0.02 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3lyn h SER 106 Cb 0.42 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3lyn h SER 106 CO 0.03 0.82 0.10 1.23 -0.53 0.00 0.00 176.83 178.47 3lyn h GLY 107 N 0.83 0.21 -2.39 5.77 0.00 -0.68 -2.15 103.07 104.66 3lyn h GLY 107 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3lyn h GLY 107 CO -0.01 0.08 0.00 0.54 0.00 0.00 0.00 176.54 177.15 3lyn n ARG 108 N -4.52 2.61 -3.85 4.80 5.12 -0.95 -4.94 116.66 114.93 3lyn n ARG 108 Ca -0.01 -2.44 -0.27 0.00 -1.93 0.00 0.00 57.85 53.20 3lyn n ARG 108 Cb 0.08 -1.52 0.03 0.00 -1.16 0.00 0.00 32.46 29.89 3lyn n ARG 108 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3lyn n LYS 109 N 1.48 -5.16 -0.48 5.56 5.02 -0.81 -4.90 118.16 118.87 3lyn n LYS 109 Ca 0.21 0.59 0.06 0.00 -2.02 0.00 0.00 58.31 57.15 3lyn n LYS 109 Cb 0.59 -5.32 0.19 0.00 -0.02 0.00 0.00 35.03 30.48 3lyn n LYS 109 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3lyn n MET 110 N -4.52 1.60 -2.13 1.97 2.81 0.31 -5.00 117.12 112.16 3lyn n MET 110 Ca -0.10 -3.07 -0.42 0.00 -1.81 0.00 0.00 57.70 52.29 3lyn n MET 110 Cb 0.59 -1.62 -0.03 0.00 -0.71 0.00 0.00 33.22 31.45 3lyn n MET 110 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3lyn s ILE 111 N -3.12 3.47 0.78 2.02 1.01 -1.21 -4.91 121.20 119.23 3lyn s ILE 111 Ca 0.37 0.90 -0.13 0.00 0.00 0.00 0.00 60.65 61.79 3lyn s ILE 111 Cb 0.35 -3.58 0.07 0.00 0.01 0.00 0.00 42.46 39.31 3lyn s ILE 111 CO -0.03 0.00 1.18 -2.84 0.00 0.00 0.00 174.94 173.26 3lyn s PRO 112 N 2.35 1.88 0.60 2.79 0.02 -1.26 -4.97 135.00 136.41 3lyn s PRO 112 Ca 0.67 1.64 -0.18 0.00 0.02 0.00 0.00 61.00 63.15 3lyn s PRO 112 Cb -0.34 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 3lyn s PRO 112 CO 0.28 -2.01 1.18 -1.25 -0.33 0.00 0.00 177.00 174.88 3lyn s PRO 113 N -4.20 2.97 -0.38 5.54 0.04 -1.26 -4.87 135.00 132.85 3lyn s PRO 113 Ca 0.71 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 3lyn s PRO 113 Cb -0.26 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3lyn s PRO 113 CO 0.49 -1.18 1.25 -0.47 0.04 0.00 0.00 177.00 177.13 3lyn s TYR 114 N -1.74 2.73 0.23 0.56 5.04 -1.26 -5.00 117.35 117.90 3lyn s TYR 114 Ca 0.75 0.84 0.05 0.00 -2.44 0.00 0.00 57.07 56.27 3lyn s TYR 114 Cb -0.28 -4.11 -0.03 0.00 0.35 0.00 0.00 41.96 37.89 3lyn s TYR 114 CO 0.33 -1.51 0.32 -1.12 -1.34 0.00 0.00 175.55 172.23 3lyn s SER 115 N 2.79 6.16 0.25 4.32 0.01 -1.26 -5.00 113.70 120.98 3lyn s SER 115 Ca 0.54 0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.78 3lyn s SER 115 Cb -0.13 -1.77 0.49 0.00 0.21 0.00 0.00 66.02 64.82 3lyn s SER 115 CO 0.26 -0.05 1.69 0.00 0.41 0.00 0.00 173.24 175.55 3lyn h ALA 116 N 1.37 1.01 0.00 1.44 0.00 -1.99 0.11 119.26 121.20 3lyn h ALA 116 Ca -0.51 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3lyn h ALA 116 Cb 1.23 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3lyn h ALA 116 CO 0.62 -0.33 -0.12 0.10 0.00 0.00 0.00 179.25 179.52 3lyn h TYR 117 N 0.29 0.00 -0.14 0.00 -0.00 -1.99 -0.97 116.97 114.17 3lyn h TYR 117 Ca 0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 59.01 3lyn h TYR 117 Cb 0.75 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.48 3lyn h TYR 117 CO -0.25 0.12 -0.50 0.52 -0.00 0.00 0.00 178.16 178.05 3lyn h MET 118 N 0.00 0.58 -0.45 0.10 2.86 -1.21 -2.18 114.93 114.63 3lyn h MET 118 Ca -0.00 -0.45 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 3lyn h MET 118 Cb 0.25 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3lyn h MET 118 CO 0.02 1.07 0.17 0.00 1.06 0.00 0.00 176.91 179.22 3lyn h ALA 119 N 0.52 1.45 -0.54 6.32 0.00 -0.79 -1.48 119.26 124.75 3lyn h ALA 119 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3lyn h ALA 119 Cb 1.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3lyn h ALA 119 CO 0.11 0.42 0.34 0.87 0.00 0.00 0.00 179.25 180.98 3lyn h LYS 120 N 0.64 0.73 -0.16 0.00 1.57 -1.05 -1.55 116.57 116.74 3lyn h LYS 120 Ca 0.15 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3lyn h LYS 120 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3lyn h LYS 120 CO -0.01 0.51 -0.47 1.25 -0.57 0.00 0.00 179.45 180.16 3lyn h LEU 121 N 0.73 0.45 -1.44 2.94 5.85 -0.73 -2.81 115.31 120.29 3lyn h LEU 121 Ca 0.19 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3lyn h LEU 121 Cb -0.03 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3lyn h LEU 121 CO -0.04 0.85 -0.19 0.78 -0.34 0.00 0.00 178.44 179.50 3lyn h ASN 122 N 0.33 0.00 1.49 1.25 2.35 -1.06 -2.97 115.58 116.97 3lyn h ASN 122 Ca 0.02 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3lyn h ASN 122 Cb 0.95 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3lyn h ASN 122 CO 0.08 0.19 -0.53 0.00 -1.65 0.00 0.00 177.43 175.53 3lyn h ALA 123 N 1.81 0.76 -2.72 -0.83 0.00 -1.02 -3.46 119.26 113.79 3lyn h ALA 123 Ca -0.00 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 54.12 3lyn h ALA 123 Cb 0.58 0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.49 3lyn h ALA 123 CO 0.02 0.34 0.44 -0.51 0.00 0.00 0.00 179.25 179.55 3lyn s LEU 124 N -6.10 3.59 0.30 0.00 1.43 -1.13 -4.99 118.68 111.78 3lyn s LEU 124 Ca 0.03 2.29 -0.29 0.00 -1.03 0.00 0.00 54.13 55.14 3lyn s LEU 124 Cb 0.07 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 3lyn s LEU 124 CO 0.73 -1.63 1.24 -0.13 0.23 0.00 0.00 176.35 176.80 3lyn s ARG 125 N -3.51 4.45 0.38 1.70 0.52 -1.26 -4.91 118.95 116.33 3lyn s ARG 125 Ca 0.75 2.06 0.18 0.00 -0.52 0.00 0.00 55.73 58.20 3lyn s ARG 125 Cb -0.28 -3.12 1.11 0.00 0.52 0.00 0.00 34.95 33.18 3lyn s ARG 125 CO 0.35 -0.06 1.72 -1.35 0.02 0.00 0.00 175.30 175.97 3lyn h PRO 126 N 3.73 0.36 -0.01 3.54 0.11 -1.94 0.40 132.00 138.20 3lyn h PRO 126 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3lyn h PRO 126 Cb 1.22 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3lyn h PRO 126 CO 0.67 0.24 0.02 0.00 -0.21 0.00 0.00 178.00 178.71 3lyn h ALA 127 N 1.68 1.40 -0.24 -0.75 0.00 -1.90 -2.12 119.26 117.34 3lyn h ALA 127 Ca 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3lyn h ALA 127 Cb 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3lyn h ALA 127 CO -0.41 -0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.57 3lyn n ASP 128 N -3.63 3.12 -4.67 0.00 8.00 0.14 -4.89 116.55 114.63 3lyn n ASP 128 Ca -0.03 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.12 3lyn n ASP 128 Cb 0.09 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 3lyn n ASP 128 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3lyn s VAL 129 N -1.54 3.55 0.30 2.53 1.01 -0.80 -4.93 120.40 120.52 3lyn s VAL 129 Ca 0.32 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 3lyn s VAL 129 Cb 0.20 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 3lyn s VAL 129 CO 0.28 -0.05 1.23 -2.16 0.00 0.00 0.00 175.10 174.40 3lyn s PRO 130 N 3.52 4.46 0.20 2.72 0.04 -1.26 -5.03 135.00 139.65 3lyn s PRO 130 Ca 0.71 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.81 3lyn s PRO 130 Cb -0.33 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 3lyn s PRO 130 CO 0.29 -0.05 0.04 0.14 0.04 0.00 0.00 177.00 177.46 3lyn s VAL 131 N -1.01 0.56 -1.01 -0.36 -7.23 -1.26 -4.86 120.40 105.22 3lyn s VAL 131 Ca 0.48 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.49 3lyn s VAL 131 Cb -0.37 -2.30 0.14 0.00 0.56 0.00 0.00 36.38 34.41 3lyn s VAL 131 CO 0.47 -0.29 1.23 -0.54 -0.31 0.00 0.00 175.10 175.66 3lyn s LYS 132 N -3.98 3.73 0.00 4.82 1.02 -1.26 -4.42 119.74 119.66 3lyn s LYS 132 Ca 0.29 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.33 3lyn s LYS 132 Cb 0.07 -4.98 0.00 0.00 -0.52 0.00 0.00 37.83 32.40 3lyn s LYS 132 CO 0.07 -1.79 0.00 -1.71 -0.92 0.00 0.00 175.35 171.00 3lyn n ASN 133 N 6.43 0.00 0.00 2.83 5.15 -1.26 -4.82 115.26 123.58 3lyn n ASN 133 Ca 0.28 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 3lyn n ASN 133 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 3lyn n ASN 133 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07