#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu s ALA 5 N 0.02 0.70 0.36 0.00 0.00 -1.26 -4.77 121.76 116.82 1yhu s ALA 5 Ca 0.31 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1yhu s ALA 5 Cb 0.01 -3.34 0.70 0.00 0.00 0.00 0.00 23.12 20.49 1yhu s ALA 5 CO -0.18 -3.15 1.92 1.98 0.00 0.00 0.00 175.76 176.33 1yhu h MET 6 N -2.14 0.46 -0.11 0.00 1.85 -1.99 -0.94 114.93 112.06 1yhu h MET 6 Ca -0.51 -0.08 -0.03 0.00 -0.61 0.00 0.00 59.70 58.46 1yhu h MET 6 Cb 1.29 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 33.25 1yhu h MET 6 CO 0.46 0.47 -0.05 -0.07 -0.40 0.00 0.00 176.91 177.33 1yhu h LEU 7 N 0.45 0.24 -1.56 3.39 3.38 -1.99 -1.02 115.31 118.20 1yhu h LEU 7 Ca 0.10 -0.41 0.13 0.00 0.09 0.00 0.00 57.88 57.80 1yhu h LEU 7 Cb 0.26 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1yhu h LEU 7 CO 0.00 0.59 0.49 -0.33 0.09 0.00 0.00 178.44 179.29 1yhu h GLU 8 N -0.11 0.44 0.08 1.13 5.08 -1.72 0.16 114.58 119.63 1yhu h GLU 8 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yhu h GLU 8 Cb 0.50 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1yhu h GLU 8 CO 0.02 0.29 -0.04 0.00 -1.00 0.00 0.00 179.01 178.28 1yhu h ARG 9 N 0.45 -0.10 -0.93 2.33 3.08 -0.87 0.35 114.38 118.69 1yhu h ARG 9 Ca 0.35 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.62 1yhu h ARG 9 Cb 0.75 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.70 1yhu h ARG 9 CO -0.11 0.42 0.49 0.00 -1.07 0.00 0.00 179.97 179.70 1yhu h ALA 10 N 0.11 1.54 -0.03 0.04 0.00 -0.17 0.80 119.26 121.55 1yhu h ALA 10 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1yhu h ALA 10 Cb 0.56 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yhu h ALA 10 CO 0.02 -0.23 -0.02 -0.22 0.00 0.00 0.00 179.25 178.79 1yhu h LYS 11 N 0.55 0.08 -0.71 0.00 3.64 -0.56 -1.85 116.57 117.72 1yhu h LYS 11 Ca 0.57 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.98 1yhu h LYS 11 Cb 1.01 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 1yhu h LYS 11 CO -0.46 0.51 0.40 0.28 -2.27 0.00 0.00 179.45 177.90 1yhu h VAL 12 N -0.35 0.96 0.57 2.00 2.07 0.12 -1.37 116.25 120.25 1yhu h VAL 12 Ca 0.01 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1yhu h VAL 12 Cb 0.49 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1yhu h VAL 12 CO 0.01 0.13 -0.30 0.11 0.02 0.00 0.00 177.57 177.54 1yhu h LYS 13 N 0.72 -0.77 -0.85 1.57 1.57 -0.87 -0.26 116.57 117.67 1yhu h LYS 13 Ca 0.32 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.27 1yhu h LYS 13 Cb 0.22 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 32.57 1yhu h LYS 13 CO -0.20 -0.51 -0.44 -0.44 -0.57 0.00 0.00 179.45 177.29 1yhu h ASP 14 N -0.80 -1.57 -0.34 0.86 3.32 -0.76 0.11 116.42 117.25 1yhu h ASP 14 Ca -0.07 0.29 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1yhu h ASP 14 Cb 0.63 0.76 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1yhu h ASP 14 CO 0.11 -0.29 0.01 -0.33 -1.72 0.00 0.00 179.24 177.02 1yhu h GLU 15 N -0.08 0.59 -0.47 3.56 5.08 -1.15 -2.31 114.58 119.81 1yhu h GLU 15 Ca 0.26 -0.18 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1yhu h GLU 15 Cb 0.55 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1yhu h GLU 15 CO -0.87 0.70 0.06 2.35 -1.00 0.00 0.00 179.01 180.25 1yhu h TRP 16 N 0.40 0.09 -0.03 4.33 2.91 0.21 0.26 115.95 124.12 1yhu h TRP 16 Ca 0.10 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.18 1yhu h TRP 16 Cb 0.43 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.05 1yhu h TRP 16 CO 0.03 -0.04 -0.34 0.00 -1.03 0.00 0.00 178.44 177.07 1yhu h ALA 17 N 1.38 -0.48 -0.58 2.65 0.00 -0.63 0.53 119.26 122.13 1yhu h ALA 17 Ca 0.23 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1yhu h ALA 17 Cb 0.32 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1yhu h ALA 17 CO -0.33 -0.85 0.25 -0.22 0.00 0.00 0.00 179.25 178.10 1yhu h LYS 18 N -0.47 0.45 0.01 0.00 1.63 -0.80 -2.72 116.57 114.66 1yhu h LYS 18 Ca 0.07 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1yhu h LYS 18 Cb 0.57 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1yhu h LYS 18 CO -0.30 0.30 -0.00 0.00 -3.45 0.00 0.00 179.45 175.99 1yhu h ALA 19 N 1.36 -0.01 -0.07 5.00 0.00 -0.27 -3.14 119.26 122.13 1yhu h ALA 19 Ca 0.28 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yhu h ALA 19 Cb 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1yhu h ALA 19 CO -0.25 -0.22 0.21 -0.92 0.00 0.00 0.00 179.25 178.08 1yhu h TYR 20 N -0.59 0.00 -0.88 0.00 3.20 0.08 -3.47 116.97 115.31 1yhu h TYR 20 Ca -0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1yhu h TYR 20 Cb 0.57 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1yhu h TYR 20 CO 0.12 0.00 -0.01 0.41 -1.64 0.00 0.00 178.16 177.05 1yhu n GLY 21 N -1.24 -1.62 0.14 1.82 0.00 -1.03 -3.52 105.19 99.75 1yhu n GLY 21 Ca -0.01 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1yhu n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yhu n ILE 22 N -0.91 1.20 0.00 -0.61 5.41 -1.26 -4.81 119.36 118.38 1yhu n ILE 22 Ca 0.00 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1yhu n ILE 22 Cb 0.01 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 36.80 1yhu n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yhu n GLY 23 N 1.62 0.29 0.23 7.39 0.00 -1.26 -4.77 105.19 108.68 1yhu n GLY 23 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1yhu n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhu h ALA 24 N 0.28 0.97 -0.30 4.61 0.00 -1.98 -2.82 119.26 120.03 1yhu h ALA 24 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1yhu h ALA 24 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1yhu h ALA 24 CO 0.00 0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.49 1yhu h ALA 25 N 1.84 1.50 -0.07 0.00 0.00 -1.89 -2.18 119.26 118.47 1yhu h ALA 25 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1yhu h ALA 25 Cb 0.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1yhu h ALA 25 CO 0.02 0.36 0.01 0.00 0.00 0.00 0.00 179.25 179.65 1yhu h ARG 26 N 0.44 0.11 -0.17 0.00 3.08 -1.54 0.54 114.38 116.84 1yhu h ARG 26 Ca 0.10 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1yhu h ARG 26 Cb 0.23 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1yhu h ARG 26 CO 0.00 0.32 -0.12 1.03 -1.07 0.00 0.00 179.97 180.13 1yhu h SER 27 N -0.12 -0.38 -0.29 7.04 0.87 -1.58 0.73 113.55 119.82 1yhu h SER 27 Ca 0.02 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1yhu h SER 27 Cb 0.26 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 1yhu h SER 27 CO 0.00 -0.15 -0.17 0.50 -0.53 0.00 0.00 176.83 176.48 1yhu h LYS 28 N -0.12 -0.13 -0.01 2.24 3.64 -1.18 -0.42 116.57 120.59 1yhu h LYS 28 Ca 0.10 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1yhu h LYS 28 Cb 0.27 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1yhu h LYS 28 CO -0.24 -0.09 -0.18 0.35 -2.27 0.00 0.00 179.45 177.02 1yhu h PHE 29 N -0.14 -0.47 -0.33 1.91 3.57 -0.25 -0.01 116.94 121.23 1yhu h PHE 29 Ca 0.15 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1yhu h PHE 29 Cb 0.37 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 1yhu h PHE 29 CO -0.36 -0.26 -0.16 0.78 -2.23 0.00 0.00 178.31 176.08 1yhu h GLY 30 N -0.29 0.10 0.84 2.40 0.00 -0.28 0.20 103.07 106.05 1yhu h GLY 30 Ca 0.06 0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.65 1yhu h GLY 30 CO -0.18 -0.17 0.60 -0.55 0.00 0.00 0.00 176.54 176.24 1yhu h ASP 31 N -0.10 0.92 0.17 0.19 3.45 -0.60 -1.56 116.42 118.89 1yhu h ASP 31 Ca 0.17 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.62 1yhu h ASP 31 Cb 0.36 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1yhu h ASP 31 CO -0.39 0.59 -0.08 0.00 -1.57 0.00 0.00 179.24 177.79 1yhu h ALA 32 N 1.50 -0.23 -0.08 3.45 0.00 0.27 -1.98 119.26 122.20 1yhu h ALA 32 Ca 0.39 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1yhu h ALA 32 Cb 0.19 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1yhu h ALA 32 CO -0.15 -0.49 -0.39 1.25 0.00 0.00 0.00 179.25 179.47 1yhu h LEU 33 N -0.50 -1.22 -1.26 0.00 5.85 -0.17 -2.04 115.31 115.97 1yhu h LEU 33 Ca -0.02 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1yhu h LEU 33 Cb 0.39 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1yhu h LEU 33 CO 0.04 -0.42 -0.08 -0.50 -0.34 0.00 0.00 178.44 177.14 1yhu h TRP 34 N -0.50 0.43 -0.56 1.25 4.06 -1.35 -0.40 115.95 118.87 1yhu h TRP 34 Ca 0.07 -0.05 0.04 0.00 2.06 0.00 0.00 58.89 61.01 1yhu h TRP 34 Cb 0.62 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 28.61 1yhu h TRP 34 CO -0.44 0.49 0.31 -0.09 -3.56 0.00 0.00 178.44 175.14 1yhu h ARG 35 N 0.39 0.57 -0.05 0.49 2.43 -0.80 -1.31 114.38 116.11 1yhu h ARG 35 Ca 0.08 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1yhu h ARG 35 Cb 0.38 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1yhu h ARG 35 CO 0.02 0.38 0.02 -0.91 -1.51 0.00 0.00 179.97 177.97 1yhu h ASN 36 N 0.59 0.06 -0.56 -3.80 -0.26 -0.69 -1.61 115.58 109.31 1yhu h ASN 36 Ca 0.25 -0.09 0.11 0.00 -0.56 0.00 0.00 56.30 56.01 1yhu h ASN 36 Cb 0.12 -0.02 -0.10 0.00 -1.06 0.00 0.00 38.32 37.27 1yhu h ASN 36 CO -0.15 0.13 -0.02 0.58 -1.06 0.00 0.00 177.43 176.92 1yhu h VAL 37 N -0.02 0.53 0.00 2.81 2.07 -0.36 0.88 116.25 122.16 1yhu h VAL 37 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1yhu h VAL 37 Cb 0.09 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1yhu h VAL 37 CO -0.00 0.02 0.00 0.49 0.02 0.00 0.00 177.57 178.10 1yhu n PHE 38 N -5.27 0.76 -0.03 1.57 0.99 -0.56 -1.79 117.46 113.12 1yhu n PHE 38 Ca 0.07 0.25 -0.10 0.00 -0.00 0.00 0.00 57.45 57.67 1yhu n PHE 38 Cb 0.31 -0.90 -0.14 0.00 -1.00 0.00 0.00 39.48 37.75 1yhu n PHE 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1yhu n ASN 39 N -2.14 0.86 0.02 4.37 5.03 -0.44 -2.00 115.26 120.97 1yhu n ASN 39 Ca 0.04 0.35 -0.10 0.00 0.87 0.00 0.00 54.58 55.74 1yhu n ASN 39 Cb 0.34 0.01 0.03 0.00 -1.02 0.00 0.00 39.78 39.14 1yhu n ASN 39 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1yhu h TYR 40 N 0.00 0.67 -2.10 3.10 -1.99 -0.78 -3.38 116.97 112.49 1yhu h TYR 40 Ca -0.33 -0.27 -0.54 0.00 2.00 0.00 0.00 58.73 59.59 1yhu h TYR 40 Cb 2.04 -0.11 -0.36 0.00 2.00 0.00 0.00 36.73 40.30 1yhu h TYR 40 CO 0.01 1.02 -0.98 0.00 -0.00 0.00 0.00 178.16 178.20 1yhu n ALA 41 N -2.52 2.33 0.22 3.88 0.00 -0.74 -4.99 120.51 118.68 1yhu n ALA 41 Ca -0.04 -3.02 0.17 0.00 0.00 0.00 0.00 53.44 50.55 1yhu n ALA 41 Cb 0.66 -0.83 0.75 0.00 0.00 0.00 0.00 19.45 20.03 1yhu n ALA 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1yhu h PRO 42 N 5.05 0.00 0.00 0.00 0.13 -1.59 -0.04 132.00 135.56 1yhu h PRO 42 Ca 0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1yhu h PRO 42 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1yhu h PRO 42 CO 0.38 0.00 -0.21 -0.91 -0.23 0.00 0.00 178.00 177.03 1yhu h ASN 43 N 0.00 0.00 0.53 1.44 4.21 -1.94 -3.11 115.58 116.71 1yhu h ASN 43 Ca 0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1yhu h ASN 43 Cb 0.95 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 1yhu h ASN 43 CO -0.00 0.21 0.00 0.00 -1.29 0.00 0.00 177.43 176.34 1yhu n ALA 44 N -2.16 1.76 -0.11 -0.83 0.00 -0.03 -3.09 120.51 116.05 1yhu n ALA 44 Ca 0.02 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1yhu n ALA 44 Cb 0.56 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1yhu n ALA 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1yhu h ARG 45 N 0.00 0.59 -0.06 0.00 2.43 -1.68 -2.51 114.38 113.15 1yhu h ARG 45 Ca 0.00 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1yhu h ARG 45 Cb 0.27 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1yhu h ARG 45 CO 0.00 0.71 0.25 -0.44 -1.51 0.00 0.00 179.97 178.98 1yhu h ASP 46 N 0.40 0.00 -0.16 -3.80 3.32 -1.78 -0.43 116.42 113.97 1yhu h ASP 46 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1yhu h ASP 46 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1yhu h ASP 46 CO 0.02 0.00 -0.07 0.40 -1.72 0.00 0.00 179.24 177.87 1yhu h ILE 47 N 0.00 1.21 -0.93 0.35 2.04 -1.64 -3.11 117.51 115.43 1yhu h ILE 47 Ca 0.03 -0.88 -0.46 0.00 1.00 0.00 0.00 64.86 64.54 1yhu h ILE 47 Cb 0.53 1.07 -0.28 0.00 -0.74 0.00 0.00 36.82 37.40 1yhu h ILE 47 CO -0.00 0.29 0.59 0.49 0.00 0.00 0.00 178.15 179.52 1yhu n PHE 48 N -4.25 2.87 0.32 1.37 3.01 -0.17 -4.47 117.46 116.16 1yhu n PHE 48 Ca 0.01 -1.72 0.15 0.00 1.01 0.00 0.00 57.45 56.90 1yhu n PHE 48 Cb 0.28 -0.89 0.58 0.00 -0.01 0.00 0.00 39.48 39.44 1yhu n PHE 48 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1yhu h GLU 49 N 1.13 0.00 0.00 -1.08 4.11 -1.66 -1.49 114.58 115.60 1yhu h GLU 49 Ca 0.57 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.98 1yhu h GLU 49 Cb 2.73 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.98 1yhu h GLU 49 CO 1.02 0.00 -0.08 0.77 0.07 0.00 0.00 179.01 180.79 1yhu h SER 50 N 0.00 0.00 -0.37 3.06 0.02 -1.87 -1.69 113.55 112.71 1yhu h SER 50 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1yhu h SER 50 Cb 0.52 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.91 1yhu h SER 50 CO 0.00 0.08 -0.24 1.33 -1.14 0.00 0.00 176.83 176.87 1yhu n VAL 51 N -3.57 2.54 -3.68 2.27 0.24 -0.60 -4.97 118.33 110.56 1yhu n VAL 51 Ca -0.02 -3.10 -0.28 0.00 -2.04 0.00 0.00 64.34 58.90 1yhu n VAL 51 Cb 0.20 -0.47 0.04 0.00 -1.47 0.00 0.00 33.84 32.14 1yhu n VAL 51 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1yhu n ASN 52 N -1.05 -4.29 0.00 -1.34 4.05 -0.63 -2.85 115.26 109.15 1yhu n ASN 52 Ca 0.34 -0.96 0.10 0.00 0.45 0.00 0.00 54.58 54.51 1yhu n ASN 52 Cb 0.94 -3.61 0.54 0.00 1.23 0.00 0.00 39.78 38.88 1yhu n ASN 52 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1yhu n SER 53 N -2.81 0.00 -0.05 1.20 3.41 -0.99 -2.84 113.62 111.54 1yhu n SER 53 Ca -0.14 -0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.33 1yhu n SER 53 Cb 0.62 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1yhu n SER 53 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1yhu h LYS 54 N 0.00 0.27 -3.95 4.33 1.79 -1.88 -3.33 116.57 113.80 1yhu h LYS 54 Ca 0.00 -0.03 -0.73 0.00 -2.18 0.00 0.00 60.65 57.71 1yhu h LYS 54 Cb 0.20 -0.06 -0.30 0.00 -1.58 0.00 0.00 32.23 30.49 1yhu h LYS 54 CO 0.00 0.24 -0.25 0.34 -1.08 0.00 0.00 179.45 178.70 1yhu s ASP 55 N -5.46 5.84 0.00 0.86 3.68 -1.13 -4.93 116.67 115.53 1yhu s ASP 55 Ca -0.13 -2.42 0.01 0.00 2.13 0.00 0.00 52.55 52.14 1yhu s ASP 55 Cb 0.08 -2.02 0.07 0.00 -1.45 0.00 0.00 42.92 39.60 1yhu s ASP 55 CO 0.70 -0.56 0.77 0.80 0.13 0.00 0.00 175.17 177.01 1yhu n MET 56 N 4.21 0.02 -0.04 4.34 0.00 -1.25 -0.54 117.12 123.86 1yhu n MET 56 Ca 0.03 0.21 0.02 0.00 -0.00 0.00 0.00 57.70 57.96 1yhu n MET 56 Cb 0.41 -1.50 0.05 0.00 0.00 0.00 0.00 33.22 32.18 1yhu n MET 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yhu n ALA 57 N -1.22 2.27 -1.77 -5.12 0.00 -1.26 -4.68 120.51 108.73 1yhu n ALA 57 Ca 0.01 -0.82 -0.38 0.00 0.00 0.00 0.00 53.44 52.25 1yhu n ALA 57 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.26 1yhu n ALA 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yhu s SER 58 N -0.73 6.57 0.37 0.00 1.04 0.29 -4.83 113.70 116.41 1yhu s SER 58 Ca 0.08 2.29 0.08 0.00 0.48 0.00 0.00 55.95 58.88 1yhu s SER 58 Cb 0.05 -2.61 0.79 0.00 0.10 0.00 0.00 66.02 64.35 1yhu s SER 58 CO 0.06 -0.64 1.93 1.55 0.98 0.00 0.00 173.24 177.13 1yhu h PRO 59 N 2.62 0.69 -0.45 4.02 0.13 -1.95 -0.02 132.00 137.05 1yhu h PRO 59 Ca -0.49 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 64.69 1yhu h PRO 59 Cb 1.23 -0.16 -0.08 0.00 0.13 0.00 0.00 31.00 32.12 1yhu h PRO 59 CO 0.62 0.46 -0.08 0.93 -0.23 0.00 0.00 178.00 179.70 1yhu h GLU 60 N 0.71 0.03 0.04 0.86 3.07 -1.90 0.18 114.58 117.56 1yhu h GLU 60 Ca 0.35 -0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.94 1yhu h GLU 60 Cb 0.43 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1yhu h GLU 60 CO -0.13 0.02 -1.09 0.35 -1.40 0.00 0.00 179.01 176.76 1yhu h PHE 61 N 0.03 0.93 -0.79 4.33 3.57 -1.14 -2.73 116.94 121.14 1yhu h PHE 61 Ca 0.22 -0.53 0.03 0.00 3.53 0.00 0.00 57.97 61.22 1yhu h PHE 61 Cb 0.33 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1yhu h PHE 61 CO -0.36 1.37 0.52 0.87 -2.23 0.00 0.00 178.31 178.48 1yhu h LYS 62 N 0.32 0.94 -0.80 1.11 1.57 -0.66 0.14 116.57 119.19 1yhu h LYS 62 Ca -0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1yhu h LYS 62 Cb 1.75 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.80 1yhu h LYS 62 CO 0.21 0.62 0.51 0.00 -0.57 0.00 0.00 179.45 180.22 1yhu h ALA 63 N 1.54 1.02 0.50 3.86 0.00 -0.59 0.93 119.26 126.52 1yhu h ALA 63 Ca 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1yhu h ALA 63 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1yhu h ALA 63 CO -0.09 0.45 -0.24 1.25 0.00 0.00 0.00 179.25 180.62 1yhu h HIS 64 N 1.09 -0.62 -0.77 0.00 -0.00 -0.72 -1.51 115.15 112.62 1yhu h HIS 64 Ca 0.29 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.82 1yhu h HIS 64 Cb -0.09 0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 27.41 1yhu h HIS 64 CO -0.01 -0.33 0.23 0.82 -0.00 0.00 0.00 177.93 178.63 1yhu h ILE 65 N -0.80 0.51 -0.46 6.26 2.04 -0.46 0.29 117.51 124.89 1yhu h ILE 65 Ca -0.07 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1yhu h ILE 65 Cb 0.57 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1yhu h ILE 65 CO 0.11 0.06 0.15 0.00 0.00 0.00 0.00 178.15 178.47 1yhu h ALA 66 N 1.63 0.54 -0.05 1.87 0.00 -0.47 -0.02 119.26 122.76 1yhu h ALA 66 Ca 0.45 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1yhu h ALA 66 Cb 0.78 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1yhu h ALA 66 CO -0.51 -0.25 0.01 0.00 0.00 0.00 0.00 179.25 178.50 1yhu h ARG 67 N 0.31 0.08 -0.73 0.00 3.08 0.53 -0.66 114.38 116.99 1yhu h ARG 67 Ca 0.22 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1yhu h ARG 67 Cb 0.24 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1yhu h ARG 67 CO -0.24 0.30 0.38 -0.24 -1.07 0.00 0.00 179.97 179.11 1yhu h VAL 68 N -0.15 1.23 -0.68 2.04 3.04 -0.76 0.51 116.25 121.48 1yhu h VAL 68 Ca 0.02 -0.60 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 1yhu h VAL 68 Cb 0.26 0.29 -0.03 0.00 -2.01 0.00 0.00 31.29 29.79 1yhu h VAL 68 CO 0.00 0.26 0.27 -0.07 -1.01 0.00 0.00 177.57 177.02 1yhu h LEU 69 N 1.02 0.94 -1.24 3.16 3.38 -0.94 0.13 115.31 121.76 1yhu h LEU 69 Ca 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1yhu h LEU 69 Cb 0.07 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1yhu h LEU 69 CO -0.04 0.86 0.49 1.23 0.09 0.00 0.00 178.44 181.07 1yhu h GLY 70 N 0.96 1.06 0.78 0.83 0.00 -0.43 0.23 103.07 106.51 1yhu h GLY 70 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1yhu h GLY 70 CO -0.02 0.40 -0.19 -1.33 0.00 0.00 0.00 176.54 175.40 1yhu h GLY 71 N 1.03 -0.55 -0.30 4.60 0.00 -0.04 -0.97 103.07 106.84 1yhu h GLY 71 Ca 0.27 0.21 0.16 0.00 0.00 0.00 0.00 47.33 47.97 1yhu h GLY 71 CO -0.06 -0.20 -0.01 1.41 0.00 0.00 0.00 176.54 177.68 1yhu h LEU 72 N -0.76 -0.35 0.84 3.11 3.38 -0.12 -0.35 115.31 121.06 1yhu h LEU 72 Ca -0.05 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1yhu h LEU 72 Cb 0.52 0.34 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1yhu h LEU 72 CO 0.09 -0.17 -0.40 -0.78 0.09 0.00 0.00 178.44 177.27 1yhu h ASP 73 N 0.10 -0.96 -0.25 -0.43 -0.00 -0.41 -0.78 116.42 113.69 1yhu h ASP 73 Ca 0.39 0.03 0.07 0.00 -0.00 0.00 0.00 57.03 57.52 1yhu h ASP 73 Cb 0.67 0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 40.24 1yhu h ASP 73 CO -0.64 -0.62 0.28 0.08 -0.00 0.00 0.00 179.24 178.33 1yhu h ARG 74 N -1.25 0.00 0.00 0.28 0.11 -0.63 0.25 114.38 113.15 1yhu h ARG 74 Ca -0.12 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 1yhu h ARG 74 Cb 0.88 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.95 1yhu h ARG 74 CO 0.19 0.00 -0.20 0.28 0.10 0.00 0.00 179.97 180.34 1yhu h VAL 75 N 0.00 1.26 -0.20 0.08 2.07 -0.93 -3.18 116.25 115.35 1yhu h VAL 75 Ca 0.12 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.67 1yhu h VAL 75 Cb 0.68 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.86 1yhu h VAL 75 CO -0.00 0.43 -0.10 0.40 0.02 0.00 0.00 177.57 178.32 1yhu h ILE 76 N -1.00 0.69 -0.07 4.57 2.04 -0.61 -0.93 117.51 122.20 1yhu h ILE 76 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1yhu h ILE 76 Cb 0.84 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1yhu h ILE 76 CO -0.03 0.00 0.17 0.77 0.00 0.00 0.00 178.15 179.05 1yhu h SER 77 N -0.07 0.00 -0.40 1.72 4.64 -1.11 0.05 113.55 118.38 1yhu h SER 77 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1yhu h SER 77 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1yhu h SER 77 CO -0.25 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.94 1yhu n MET 78 N -3.35 2.23 0.21 4.77 2.81 -0.37 -4.38 117.12 119.05 1yhu n MET 78 Ca -0.01 -1.88 0.18 0.00 -1.81 0.00 0.00 57.70 54.18 1yhu n MET 78 Cb 0.25 -1.45 0.84 0.00 -0.71 0.00 0.00 33.22 32.14 1yhu n MET 78 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1yhu h LEU 79 N 3.45 0.00 -3.37 4.03 3.38 -0.82 -0.61 115.31 121.37 1yhu h LEU 79 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1yhu h LEU 79 Cb 0.77 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.31 1yhu h LEU 79 CO 0.00 0.00 0.45 -0.90 0.09 0.00 0.00 178.44 178.08 1yhu n ASP 80 N -3.68 3.61 -2.82 -0.43 3.85 -1.26 -4.48 116.55 111.34 1yhu n ASP 80 Ca 0.02 -3.10 -0.07 0.00 -0.71 0.00 0.00 54.79 50.93 1yhu n ASP 80 Cb 0.36 -0.74 0.00 0.00 -1.35 0.00 0.00 41.12 39.40 1yhu n ASP 80 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1yhu n ASN 81 N -0.61 -3.12 -0.31 -1.12 4.05 -0.24 -5.03 115.26 108.89 1yhu n ASN 81 Ca 0.41 -2.92 0.03 0.00 0.45 0.00 0.00 54.58 52.55 1yhu n ASN 81 Cb 1.28 1.55 0.10 0.00 1.23 0.00 0.00 39.78 43.94 1yhu n ASN 81 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1yhu h GLN 82 N 4.92 -0.01 0.00 1.20 1.08 -1.79 -0.83 115.11 119.68 1yhu h GLN 82 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1yhu h GLN 82 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1yhu h GLN 82 CO 0.08 -0.01 0.00 0.00 -0.95 0.00 0.00 178.83 177.95 1yhu n ALA 83 N -3.42 0.00 0.12 3.87 0.00 -1.26 -0.43 120.51 119.39 1yhu n ALA 83 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1yhu n ALA 83 Cb 0.43 0.34 -0.08 0.00 0.00 0.00 0.00 19.45 20.15 1yhu n ALA 83 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1yhu h THR 84 N 0.00 0.85 -0.82 0.00 2.02 -1.80 -3.05 112.91 110.11 1yhu h THR 84 Ca 0.00 -0.17 0.14 0.00 0.77 0.00 0.00 66.41 67.15 1yhu h THR 84 Cb 0.00 0.96 -0.14 0.00 -1.74 0.00 0.00 68.15 67.22 1yhu h THR 84 CO 0.00 0.04 -0.33 0.25 0.37 0.00 0.00 175.52 175.85 1yhu h LEU 85 N -0.33 -1.20 -0.16 2.58 5.85 -0.66 0.11 115.31 121.50 1yhu h LEU 85 Ca -0.03 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1yhu h LEU 85 Cb 0.26 0.64 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1yhu h LEU 85 CO 0.04 -0.29 0.08 0.44 -0.34 0.00 0.00 178.44 178.37 1yhu h ASP 86 N -0.06 0.13 -0.07 1.25 3.32 -0.74 0.22 116.42 120.47 1yhu h ASP 86 Ca 0.32 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.39 1yhu h ASP 86 Cb 0.59 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1yhu h ASP 86 CO -0.86 0.10 -0.03 0.00 -1.72 0.00 0.00 179.24 176.74 1yhu h ALA 87 N 1.08 0.04 -0.54 3.45 0.00 -1.01 0.33 119.26 122.61 1yhu h ALA 87 Ca 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1yhu h ALA 87 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1yhu h ALA 87 CO -0.04 -0.50 0.10 0.22 0.00 0.00 0.00 179.25 179.04 1yhu h ASP 88 N -0.01 0.84 -0.85 0.00 3.58 -0.72 0.09 116.42 119.35 1yhu h ASP 88 Ca 0.04 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 1yhu h ASP 88 Cb 0.07 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.86 1yhu h ASP 88 CO -0.08 0.88 0.44 -0.07 -2.88 0.00 0.00 179.24 177.53 1yhu h LEU 89 N 0.77 1.09 -0.77 2.28 3.38 -0.27 -0.67 115.31 121.11 1yhu h LEU 89 Ca 0.17 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1yhu h LEU 89 Cb 0.38 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1yhu h LEU 89 CO 0.01 0.89 0.48 0.00 0.09 0.00 0.00 178.44 179.91 1yhu h ALA 90 N 1.24 1.04 0.09 1.53 0.00 0.34 -0.37 119.26 123.13 1yhu h ALA 90 Ca 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1yhu h ALA 90 Cb 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1yhu h ALA 90 CO -0.04 0.23 -0.07 1.25 0.00 0.00 0.00 179.25 180.61 1yhu h HIS 91 N 0.89 -0.18 -0.74 0.00 -0.00 -0.15 -1.44 115.15 113.53 1yhu h HIS 91 Ca 0.33 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.77 1yhu h HIS 91 Cb 0.11 0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 1yhu h HIS 91 CO -0.04 -0.11 0.49 -0.07 -0.00 0.00 0.00 177.93 178.19 1yhu h LEU 92 N -0.17 0.67 -0.42 0.26 3.38 -0.52 -0.75 115.31 117.77 1yhu h LEU 92 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1yhu h LEU 92 Cb 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1yhu h LEU 92 CO -0.00 0.43 0.24 0.50 0.09 0.00 0.00 178.44 179.70 1yhu h LYS 93 N 0.76 0.58 -0.84 1.13 3.64 -0.27 -1.29 116.57 120.29 1yhu h LYS 93 Ca 0.32 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.75 1yhu h LYS 93 Cb 0.28 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 1yhu h LYS 93 CO -0.11 0.45 0.54 0.77 -2.27 0.00 0.00 179.45 178.84 1yhu h SER 94 N 0.55 0.68 0.89 4.20 0.02 -0.15 0.39 113.55 120.13 1yhu h SER 94 Ca 0.15 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 1yhu h SER 94 Cb 0.03 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1yhu h SER 94 CO -0.03 0.39 -0.60 1.56 -1.14 0.00 0.00 176.83 177.01 1yhu h GLN 95 N 0.74 0.00 0.00 3.45 4.20 -0.65 -3.34 115.11 119.51 1yhu h GLN 95 Ca 0.40 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.87 1yhu h GLN 95 Cb 0.52 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1yhu h GLN 95 CO -0.16 0.60 -2.22 0.72 -0.67 0.00 0.00 178.83 177.10 1yhu n HIS 96 N -3.54 0.04 -0.14 2.96 8.25 -0.51 -4.57 115.22 117.70 1yhu n HIS 96 Ca -0.00 0.01 -0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1yhu n HIS 96 Cb 0.66 -0.83 0.03 0.00 1.12 0.00 0.00 29.99 30.97 1yhu n HIS 96 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1yhu h ASP 97 N 0.00 -0.48 0.27 0.41 3.45 -0.41 -1.30 116.42 118.37 1yhu h ASP 97 Ca -0.34 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1yhu h ASP 97 Cb 1.79 0.31 0.00 0.00 -0.56 0.00 0.00 39.33 40.87 1yhu h ASP 97 CO 0.02 -0.17 0.00 -0.81 -1.57 0.00 0.00 179.24 176.71 1yhu n PRO 98 N -5.35 0.16 0.00 3.56 -0.04 -1.26 -1.75 135.00 130.31 1yhu n PRO 98 Ca 0.04 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.19 1yhu n PRO 98 Cb 0.26 -1.92 0.62 0.00 -0.04 0.00 0.00 33.50 32.42 1yhu n PRO 98 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1yhu n ARG 99 N -2.23 0.82 -3.77 0.54 3.00 -0.49 -4.96 116.66 109.56 1yhu n ARG 99 Ca -0.00 -0.30 -0.24 0.00 -0.01 0.00 0.00 57.85 57.29 1yhu n ARG 99 Cb 0.11 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.07 1yhu n ARG 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1yhu n THR 100 N -0.83 -3.50 -3.88 0.55 -2.24 -0.72 -4.93 114.28 98.73 1yhu n THR 100 Ca 0.16 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.57 1yhu n THR 100 Cb 0.27 -3.04 -0.08 0.00 -2.10 0.00 0.00 70.33 65.39 1yhu n THR 100 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1yhu s ILE 101 N -2.95 5.24 -0.10 2.28 1.01 -1.26 -5.04 121.20 120.38 1yhu s ILE 101 Ca 0.01 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 1yhu s ILE 101 Cb -0.00 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1yhu s ILE 101 CO 0.89 0.52 1.79 -0.62 0.00 0.00 0.00 174.94 177.53 1yhu s ASP 102 N -0.21 6.38 0.66 3.58 3.68 -1.26 -4.84 116.67 124.66 1yhu s ASP 102 Ca 0.10 2.14 0.26 0.00 2.13 0.00 0.00 52.55 57.18 1yhu s ASP 102 Cb -0.12 -2.53 1.40 0.00 -1.45 0.00 0.00 42.92 40.22 1yhu s ASP 102 CO 0.01 -1.18 1.79 1.55 0.13 0.00 0.00 175.17 177.47 1yhu h PRO 103 N 10.82 0.00 -0.19 4.34 0.13 -1.96 1.00 132.00 146.13 1yhu h PRO 103 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1yhu h PRO 103 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1yhu h PRO 103 CO 0.96 0.00 0.11 0.28 -0.23 0.00 0.00 178.00 179.12 1yhu h VAL 104 N 0.00 1.06 -0.55 1.56 2.07 -1.93 -0.37 116.25 118.10 1yhu h VAL 104 Ca 0.03 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1yhu h VAL 104 Cb 0.92 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1yhu h VAL 104 CO -0.00 0.07 0.36 0.78 0.02 0.00 0.00 177.57 178.80 1yhu h ASN 105 N 0.27 0.61 0.56 0.57 -0.26 -1.17 0.27 115.58 116.43 1yhu h ASN 105 Ca 0.07 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1yhu h ASN 105 Cb 0.01 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 1yhu h ASN 105 CO -0.01 0.44 0.00 -0.26 -1.06 0.00 0.00 177.43 176.54 1yhu h PHE 106 N 0.72 0.00 0.14 1.19 -1.00 -1.22 -0.41 116.94 116.37 1yhu h PHE 106 Ca 0.21 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.80 1yhu h PHE 106 Cb -0.05 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.53 1yhu h PHE 106 CO -0.00 0.00 -0.80 0.28 -1.61 0.00 0.00 178.31 176.18 1yhu h VAL 107 N 0.00 1.52 -0.35 -0.55 2.07 -0.95 -2.32 116.25 115.66 1yhu h VAL 107 Ca 0.00 -2.53 0.07 0.00 0.82 0.00 0.00 66.70 65.05 1yhu h VAL 107 Cb 0.28 3.21 -0.06 0.00 -1.52 0.00 0.00 31.29 33.19 1yhu h VAL 107 CO 0.00 0.72 -0.03 0.58 0.02 0.00 0.00 177.57 178.86 1yhu h VAL 108 N -0.39 0.70 -0.02 2.57 2.07 -0.84 -0.92 116.25 119.43 1yhu h VAL 108 Ca -0.14 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1yhu h VAL 108 Cb 1.63 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 1yhu h VAL 108 CO 0.15 0.01 -0.43 0.15 0.02 0.00 0.00 177.57 177.47 1yhu h PHE 109 N 0.06 -1.23 -0.74 1.57 3.57 -1.12 -0.04 116.94 119.01 1yhu h PHE 109 Ca 0.17 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.88 1yhu h PHE 109 Cb 0.25 0.54 -0.13 0.00 2.79 0.00 0.00 35.95 39.40 1yhu h PHE 109 CO -0.27 -0.50 -0.03 -0.09 -2.23 0.00 0.00 178.31 175.18 1yhu h ARG 110 N -0.57 0.08 0.70 1.11 2.43 -0.72 0.79 114.38 118.19 1yhu h ARG 110 Ca 0.05 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1yhu h ARG 110 Cb 0.66 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1yhu h ARG 110 CO -0.33 0.05 -0.47 0.87 -1.51 0.00 0.00 179.97 178.57 1yhu h LYS 111 N 0.08 -1.08 -0.78 0.20 1.79 -0.15 -0.87 116.57 115.77 1yhu h LYS 111 Ca 0.39 0.07 0.16 0.00 -2.18 0.00 0.00 60.65 59.10 1yhu h LYS 111 Cb 0.68 0.24 -0.11 0.00 -1.58 0.00 0.00 32.23 31.46 1yhu h LYS 111 CO -0.67 -0.72 0.29 0.00 -1.08 0.00 0.00 179.45 177.27 1yhu h ALA 112 N -1.16 1.12 -0.17 3.86 0.00 0.50 -0.54 119.26 122.88 1yhu h ALA 112 Ca -0.09 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1yhu h ALA 112 Cb 0.91 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1yhu h ALA 112 CO 0.07 -0.27 0.06 1.25 0.00 0.00 0.00 179.25 180.36 1yhu h LEU 113 N 0.39 0.08 -0.33 0.00 5.85 0.88 -0.15 115.31 122.04 1yhu h LEU 113 Ca 0.45 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.25 1yhu h LEU 113 Cb 0.74 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1yhu h LEU 113 CO -0.46 0.07 -0.08 0.40 -0.34 0.00 0.00 178.44 178.03 1yhu h ILE 114 N 0.15 0.67 0.27 4.05 2.04 0.19 0.30 117.51 125.18 1yhu h ILE 114 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1yhu h ILE 114 Cb 0.03 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1yhu h ILE 114 CO -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.74 1yhu h ALA 115 N 1.33 -0.98 -0.53 1.87 0.00 -0.69 -0.15 119.26 120.11 1yhu h ALA 115 Ca 0.16 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1yhu h ALA 115 Cb 0.24 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 1yhu h ALA 115 CO -0.34 -1.02 0.05 1.15 0.00 0.00 0.00 179.25 179.09 1yhu h THR 116 N -0.64 0.63 -0.08 0.00 2.02 -0.52 0.31 112.91 114.64 1yhu h THR 116 Ca -0.03 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1yhu h THR 116 Cb 0.57 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1yhu h THR 116 CO -0.08 0.03 -0.06 0.58 0.37 0.00 0.00 175.52 176.36 1yhu h VAL 117 N 0.17 1.35 -0.34 3.16 2.07 -0.32 -2.26 116.25 120.08 1yhu h VAL 117 Ca 0.27 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1yhu h VAL 117 Cb 0.40 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1yhu h VAL 117 CO -0.41 0.32 0.18 0.00 0.02 0.00 0.00 177.57 177.68 1yhu h ALA 118 N 0.59 0.43 -0.21 1.67 0.00 -0.88 0.92 119.26 121.78 1yhu h ALA 118 Ca 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1yhu h ALA 118 Cb 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1yhu h ALA 118 CO 0.02 -0.03 0.18 0.78 0.00 0.00 0.00 179.25 180.19 1yhu h GLY 119 N 0.42 0.00 0.29 0.00 0.00 -0.39 -0.13 103.07 103.26 1yhu h GLY 119 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.08 1yhu h GLY 119 CO -0.02 0.00 -2.23 2.41 0.00 0.00 0.00 176.54 176.70 1yhu n THR 120 N -4.20 1.57 0.08 4.70 -1.04 -0.77 -4.56 114.28 110.07 1yhu n THR 120 Ca 0.02 -0.68 -0.16 0.00 -2.04 0.00 0.00 64.05 61.20 1yhu n THR 120 Cb 0.32 -1.28 -0.09 0.00 -1.82 0.00 0.00 70.33 67.46 1yhu n THR 120 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1yhu h PHE 121 N 0.02 0.67 0.00 -1.42 3.04 0.13 -3.48 116.94 115.90 1yhu h PHE 121 Ca -0.49 -0.40 0.00 0.00 3.98 0.00 0.00 57.97 61.05 1yhu h PHE 121 Cb 2.02 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 40.47 1yhu h PHE 121 CO 0.03 1.25 0.00 0.41 -2.02 0.00 0.00 178.31 177.99 1yhu n GLY 122 N 1.18 2.17 0.04 2.40 0.00 -0.10 -4.72 105.19 106.16 1yhu n GLY 122 Ca -0.09 -2.13 0.02 0.00 0.00 0.00 0.00 46.02 43.82 1yhu n GLY 122 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yhu n VAL 123 N -0.40 1.40 0.34 1.61 0.24 -1.26 -1.18 118.33 119.08 1yhu n VAL 123 Ca 0.00 0.56 0.14 0.00 -2.04 0.00 0.00 64.34 63.00 1yhu n VAL 123 Cb 0.00 -1.56 0.46 0.00 -1.47 0.00 0.00 33.84 31.27 1yhu n VAL 123 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yhu n PHE 125 N -2.80 1.20 -3.03 0.00 -0.00 -0.32 -4.86 117.46 107.65 1yhu n PHE 125 Ca 0.03 0.97 -0.45 0.00 -0.00 0.00 0.00 57.45 58.00 1yhu n PHE 125 Cb 0.37 -2.20 -0.02 0.00 -0.00 0.00 0.00 39.48 37.64 1yhu n PHE 125 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1yhu s ASP 126 N 1.19 6.78 0.15 -2.13 -1.08 -1.26 -4.93 116.67 115.39 1yhu s ASP 126 Ca 0.94 -2.45 -0.27 0.00 -0.52 0.00 0.00 52.55 50.25 1yhu s ASP 126 Cb -1.26 -2.35 -0.01 0.00 -1.46 0.00 0.00 42.92 37.84 1yhu s ASP 126 CO 0.63 -0.86 1.58 0.58 0.52 0.00 0.00 175.17 177.61 1yhu h VAL 127 N 5.27 0.12 -0.34 1.11 2.07 -1.97 -1.33 116.25 121.18 1yhu h VAL 127 Ca 0.18 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1yhu h VAL 127 Cb 0.99 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1yhu h VAL 127 CO 1.06 0.00 0.15 1.55 0.02 0.00 0.00 177.57 180.35 1yhu h PRO 128 N -0.35 0.31 -0.87 1.57 0.13 -1.99 -0.76 132.00 130.04 1yhu h PRO 128 Ca 0.13 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.32 1yhu h PRO 128 Cb 0.59 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 31.58 1yhu h PRO 128 CO -0.55 0.20 0.53 0.00 -0.23 0.00 0.00 178.00 177.95 1yhu h ALA 129 N 1.19 1.21 -0.08 -0.56 0.00 -1.80 0.15 119.26 119.37 1yhu h ALA 129 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1yhu h ALA 129 Cb 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1yhu h ALA 129 CO -0.12 0.24 -0.01 -1.49 0.00 0.00 0.00 179.25 177.87 1yhu h TRP 130 N 0.94 0.17 -0.65 0.00 4.06 -0.72 -1.65 115.95 118.09 1yhu h TRP 130 Ca 0.39 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.35 1yhu h TRP 130 Cb 0.24 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.31 1yhu h TRP 130 CO -0.04 0.43 0.39 1.96 -3.56 0.00 0.00 178.44 177.63 1yhu h GLN 131 N -0.15 0.74 0.80 0.49 4.20 -0.76 0.52 115.11 120.95 1yhu h GLN 131 Ca 0.02 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1yhu h GLN 131 Cb 0.37 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.99 1yhu h GLN 131 CO 0.01 0.49 -0.38 0.78 -0.67 0.00 0.00 178.83 179.05 1yhu h GLY 132 N 0.76 -1.12 2.00 3.46 0.00 -0.90 -2.19 103.07 105.08 1yhu h GLY 132 Ca 0.27 0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.95 1yhu h GLY 132 CO -0.13 -0.41 -0.29 0.00 0.00 0.00 0.00 176.54 175.72 1yhu h TYR 134 N 0.00 1.17 -0.67 0.00 3.20 0.15 -2.65 116.97 118.17 1yhu h TYR 134 Ca -0.00 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 1yhu h TYR 134 Cb 0.69 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1yhu h TYR 134 CO 0.00 0.96 0.26 -0.91 -1.64 0.00 0.00 178.16 176.83 1yhu h ASN 135 N 1.05 0.91 -0.85 -2.11 2.35 -0.71 -0.50 115.58 115.72 1yhu h ASN 135 Ca 0.22 -0.13 0.15 0.00 -0.55 0.00 0.00 56.30 55.99 1yhu h ASN 135 Cb 0.38 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 1yhu h ASN 135 CO 0.00 0.81 0.56 0.40 -1.65 0.00 0.00 177.43 177.55 1yhu h ILE 136 N 0.97 0.81 0.00 2.81 1.08 -1.16 0.52 117.51 122.54 1yhu h ILE 136 Ca 0.23 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 1yhu h ILE 136 Cb 0.19 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1yhu h ILE 136 CO -0.02 0.11 -0.10 0.40 -0.69 0.00 0.00 178.15 177.85 1yhu h ILE 137 N 0.59 1.60 -0.61 -0.67 2.04 -1.22 -2.42 117.51 116.82 1yhu h ILE 137 Ca 0.43 -1.91 0.05 0.00 1.00 0.00 0.00 64.86 64.43 1yhu h ILE 137 Cb 0.79 2.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.69 1yhu h ILE 137 CO -0.18 0.51 0.33 0.00 0.00 0.00 0.00 178.15 178.81 1yhu h ALA 138 N 0.22 0.80 0.35 1.87 0.00 -0.29 0.39 119.26 122.60 1yhu h ALA 138 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yhu h ALA 138 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1yhu h ALA 138 CO 0.02 0.01 -0.34 -0.22 0.00 0.00 0.00 179.25 178.72 1yhu h LYS 139 N 0.62 -0.68 -0.70 0.00 1.63 -0.07 0.52 116.57 117.88 1yhu h LYS 139 Ca 0.27 0.05 0.14 0.00 -0.85 0.00 0.00 60.65 60.25 1yhu h LYS 139 Cb 0.15 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 1yhu h LYS 139 CO -0.17 -0.46 0.47 0.78 -3.45 0.00 0.00 179.45 176.63 1yhu h GLY 140 N -0.71 0.60 1.64 5.01 0.00 -0.89 0.18 103.07 108.91 1yhu h GLY 140 Ca -0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 46.91 1yhu h GLY 140 CO -0.05 0.06 -1.25 -2.22 0.00 0.00 0.00 176.54 173.08 1yhu h ILE 141 N 0.37 1.42 -1.12 2.60 2.04 -0.40 -3.40 117.51 119.02 1yhu h ILE 141 Ca 0.34 -3.16 -0.37 0.00 1.00 0.00 0.00 64.86 62.66 1yhu h ILE 141 Cb 0.80 2.73 -0.38 0.00 -0.74 0.00 0.00 36.82 39.23 1yhu h ILE 141 CO -0.10 0.83 -1.12 0.35 0.00 0.00 0.00 178.15 178.11 1yhu n THR 142 N -3.28 0.65 0.00 -0.27 -2.24 0.13 -4.28 114.28 104.99 1yhu n THR 142 Ca -0.06 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.48 1yhu n THR 142 Cb 0.98 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1yhu n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yhu n GLY 143 N -0.02 0.00 0.00 3.38 0.00 0.60 -4.80 105.19 104.34 1yhu n GLY 143 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1yhu n GLY 143 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yhu n SER 144 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.06 113.62 111.79 1yhu n SER 144 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yhu n SER 144 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1yhu n SER 144 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yhu n ASP 145 N 0.00 0.00 0.00 -3.46 5.75 -1.26 -4.76 116.55 112.82 1yhu n ASP 145 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 54.79 55.50 1yhu n ASP 145 Cb 0.00 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1yhu n ASP 145 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yhu n ALA 146 N -1.27 0.85 -1.70 2.12 0.00 -1.26 -5.11 120.51 114.14 1yhu n ALA 146 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1yhu n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yhu n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50