#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhu n ALA 2 N 0.00 0.00 -2.41 0.00 0.00 -1.26 -5.07 120.51 111.77 1yhu n ALA 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1yhu n ALA 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1yhu n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yhu s SER 3 N -1.07 2.91 -0.73 0.00 1.04 -1.26 -5.01 113.70 109.58 1yhu s SER 3 Ca 0.00 -0.97 -0.26 0.00 0.48 0.00 0.00 55.95 55.20 1yhu s SER 3 Cb 0.00 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 1yhu s SER 3 CO 0.00 -0.06 2.01 0.00 0.98 0.00 0.00 173.24 176.16 1yhu s THR 5 N 10.37 3.41 0.14 0.00 -4.23 -1.26 -4.81 115.64 119.27 1yhu s THR 5 Ca 0.74 0.46 -0.20 0.00 -1.18 0.00 0.00 61.69 61.51 1yhu s THR 5 Cb -0.11 -3.31 0.01 0.00 1.34 0.00 0.00 72.50 70.43 1yhu s THR 5 CO 0.12 -0.60 1.68 0.74 -0.54 0.00 0.00 174.62 176.02 1yhu h THR 6 N -0.84 0.67 -0.62 3.99 2.02 -1.99 0.15 112.91 116.29 1yhu h THR 6 Ca -0.46 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.84 1yhu h THR 6 Cb 1.25 0.67 -0.09 0.00 -1.74 0.00 0.00 68.15 68.25 1yhu h THR 6 CO 0.61 0.00 0.15 -0.33 0.37 0.00 0.00 175.52 176.32 1yhu h GLU 7 N -0.06 0.27 -0.05 6.66 3.07 -2.00 -1.31 114.58 121.16 1yhu h GLU 7 Ca 0.12 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1yhu h GLU 7 Cb 0.25 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1yhu h GLU 7 CO -0.28 0.18 -0.12 -0.44 -1.40 0.00 0.00 179.01 176.95 1yhu h ASP 8 N 0.28 -0.37 -0.82 1.42 3.45 -1.35 -1.91 116.42 117.12 1yhu h ASP 8 Ca 0.33 0.06 0.11 0.00 0.43 0.00 0.00 57.03 57.96 1yhu h ASP 8 Cb 0.49 0.17 -0.08 0.00 -0.56 0.00 0.00 39.33 39.35 1yhu h ASP 8 CO -0.41 -0.17 0.46 0.03 -1.57 0.00 0.00 179.24 177.58 1yhu h ARG 9 N -0.19 0.72 -0.29 3.56 3.08 0.28 0.58 114.38 122.12 1yhu h ARG 9 Ca 0.06 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1yhu h ARG 9 Cb 0.27 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1yhu h ARG 9 CO -0.16 0.48 0.10 -0.09 -1.07 0.00 0.00 179.97 179.23 1yhu h ARG 10 N 0.74 0.23 0.53 0.04 9.65 -0.89 0.38 114.38 125.06 1yhu h ARG 10 Ca 0.41 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.25 1yhu h ARG 10 Cb 0.43 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1yhu h ARG 10 CO -0.27 0.15 -0.25 0.93 2.80 0.00 0.00 179.97 183.32 1yhu h GLU 11 N 0.24 -0.68 -0.64 0.20 4.39 -0.30 -1.87 114.58 115.91 1yhu h GLU 11 Ca 0.13 0.05 0.13 0.00 0.34 0.00 0.00 59.36 60.00 1yhu h GLU 11 Cb 0.09 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 28.78 1yhu h GLU 11 CO -0.13 -0.43 -0.18 1.98 -1.16 0.00 0.00 179.01 179.09 1yhu h MET 12 N -0.76 -0.02 -0.98 2.33 4.05 0.42 0.71 114.93 120.68 1yhu h MET 12 Ca -0.07 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.45 1yhu h MET 12 Cb 0.57 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.29 1yhu h MET 12 CO 0.12 -0.01 0.63 1.96 0.23 0.00 0.00 176.91 179.83 1yhu h GLN 13 N -0.02 0.98 0.20 0.39 4.20 0.11 -2.43 115.11 118.54 1yhu h GLN 13 Ca 0.31 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1yhu h GLN 13 Cb 0.48 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1yhu h GLN 13 CO -0.67 0.65 -0.09 -0.07 -0.67 0.00 0.00 178.83 177.98 1yhu h LEU 14 N 1.01 -0.22 -0.98 1.46 4.07 -0.10 -0.42 115.31 120.13 1yhu h LEU 14 Ca 0.47 -0.27 0.32 0.00 0.08 0.00 0.00 57.88 58.49 1yhu h LEU 14 Cb 0.40 0.06 -0.17 0.00 1.08 0.00 0.00 40.66 42.03 1yhu h LEU 14 CO -0.23 0.32 0.31 0.24 -1.08 0.00 0.00 178.44 178.00 1yhu h MET 15 N -0.94 0.07 0.12 1.13 2.86 -1.06 0.03 114.93 117.14 1yhu h MET 15 Ca -0.03 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1yhu h MET 15 Cb 0.47 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1yhu h MET 15 CO 0.04 0.05 -0.06 2.35 1.06 0.00 0.00 176.91 180.36 1yhu h TRP 16 N 0.07 -0.15 -0.93 -0.22 2.91 -1.48 -3.30 115.95 112.85 1yhu h TRP 16 Ca 0.70 -0.00 0.25 0.00 1.13 0.00 0.00 58.89 60.97 1yhu h TRP 16 Cb 1.63 0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 30.28 1yhu h TRP 16 CO -0.23 0.30 0.65 0.78 -1.03 0.00 0.00 178.44 178.91 1yhu h GLY 17 N -0.92 0.36 1.57 2.65 0.00 0.39 -1.55 103.07 105.58 1yhu h GLY 17 Ca -0.02 -0.07 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 1yhu h GLY 17 CO 0.03 -0.02 -0.66 3.43 0.00 0.00 0.00 176.54 179.32 1yhu h ASN 18 N 0.15 0.50 0.54 0.19 -0.26 -1.13 -3.12 115.58 112.45 1yhu h ASN 18 Ca 0.47 -0.30 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1yhu h ASN 18 Cb 1.59 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.70 1yhu h ASN 18 CO -0.08 1.02 -0.57 1.33 -1.06 0.00 0.00 177.43 178.07 1yhu n VAL 19 N -3.88 0.07 -2.11 2.81 0.24 -0.72 -4.89 118.33 109.85 1yhu n VAL 19 Ca -0.04 -0.06 -0.40 0.00 -2.04 0.00 0.00 64.34 61.80 1yhu n VAL 19 Cb 0.66 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.22 1yhu n VAL 19 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1yhu s TRP 20 N -3.04 2.95 -0.31 6.34 -0.11 -0.67 -4.88 118.94 119.22 1yhu s TRP 20 Ca 0.10 1.43 -0.02 0.00 1.22 0.00 0.00 56.10 58.83 1yhu s TRP 20 Cb 0.17 -3.64 0.05 0.00 -1.50 0.00 0.00 33.47 28.55 1yhu s TRP 20 CO 0.71 -1.89 0.01 0.45 -4.62 0.00 0.00 176.95 171.62 1yhu s SER 21 N -0.68 4.92 0.43 5.86 0.15 -1.26 -4.99 113.70 118.12 1yhu s SER 21 Ca 0.53 -1.31 0.27 0.00 0.70 0.00 0.00 55.95 56.14 1yhu s SER 21 Cb -0.38 -1.72 0.83 0.00 -1.71 0.00 0.00 66.02 63.04 1yhu s SER 21 CO 0.49 -0.28 1.77 0.00 1.20 0.00 0.00 173.24 176.43 1yhu h ALA 22 N 8.00 1.00 0.00 5.45 0.00 -1.96 -3.35 119.26 128.41 1yhu h ALA 22 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1yhu h ALA 22 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1yhu h ALA 22 CO 0.54 0.00 -1.71 1.04 0.00 0.00 0.00 179.25 179.12 1yhu n GLN 23 N -2.88 0.50 -4.12 0.00 6.02 -1.26 -5.04 117.38 110.60 1yhu n GLN 23 Ca 0.03 -0.14 -0.10 0.00 -0.01 0.00 0.00 57.00 56.78 1yhu n GLN 23 Cb 0.41 -1.36 -0.10 0.00 1.02 0.00 0.00 30.24 30.20 1yhu n GLN 23 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1yhu s PHE 24 N -3.04 0.73 -1.27 1.08 0.40 -1.26 -5.05 117.98 109.58 1yhu s PHE 24 Ca -0.06 -0.83 0.28 0.00 -0.60 0.00 0.00 56.93 55.73 1yhu s PHE 24 Cb 0.10 -0.44 1.15 0.00 0.51 0.00 0.00 43.02 44.33 1yhu s PHE 24 CO 0.64 -0.18 1.84 0.25 0.70 0.00 0.00 175.22 178.46 1yhu n THR 25 N 0.43 0.00 0.00 0.64 -2.24 -1.26 -4.57 114.28 107.28 1yhu n THR 25 Ca -0.16 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1yhu n THR 25 Cb 0.59 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1yhu n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yhu n GLY 26 N 1.40 -3.45 0.32 3.38 0.00 -1.26 -1.48 105.19 104.09 1yhu n GLY 26 Ca 0.10 0.62 0.08 0.00 0.00 0.00 0.00 46.02 46.82 1yhu n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yhu h ARG 27 N 0.00 0.68 0.10 1.61 3.08 -1.94 -1.10 114.38 116.80 1yhu h ARG 27 Ca 0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1yhu h ARG 27 Cb 0.00 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1yhu h ARG 27 CO 0.00 0.45 -0.47 0.00 -1.07 0.00 0.00 179.97 178.87 1yhu h ARG 28 N 0.70 -0.64 -0.85 0.04 3.08 -1.78 0.15 114.38 115.08 1yhu h ARG 28 Ca 0.48 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.64 1yhu h ARG 28 Cb 0.65 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1yhu h ARG 28 CO -0.35 -0.43 0.52 0.82 -1.07 0.00 0.00 179.97 179.46 1yhu h ILE 29 N -0.67 1.01 -0.33 2.04 2.04 -0.73 0.22 117.51 121.09 1yhu h ILE 29 Ca -0.00 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.59 1yhu h ILE 29 Cb 0.68 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1yhu h ILE 29 CO -0.26 0.17 0.06 0.00 0.00 0.00 0.00 178.15 178.12 1yhu h ALA 30 N 1.42 0.34 -0.12 1.87 0.00 -0.38 0.08 119.26 122.47 1yhu h ALA 30 Ca 0.38 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 1yhu h ALA 30 Cb 0.22 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yhu h ALA 30 CO -0.19 -0.34 -0.10 0.82 0.00 0.00 0.00 179.25 179.43 1yhu h ILE 31 N 0.18 1.35 -0.39 0.00 2.04 -0.09 -2.25 117.51 118.34 1yhu h ILE 31 Ca 0.15 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.85 1yhu h ILE 31 Cb 0.17 1.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1yhu h ILE 31 CO -0.20 0.36 -0.02 0.00 0.00 0.00 0.00 178.15 178.28 1yhu h ALA 32 N 0.60 0.34 -0.28 1.87 0.00 -0.39 -1.68 119.26 119.73 1yhu h ALA 32 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1yhu h ALA 32 Cb 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1yhu h ALA 32 CO 0.03 -0.41 0.14 1.96 0.00 0.00 0.00 179.25 180.97 1yhu h GLN 33 N 0.08 0.39 -0.99 0.00 4.20 -1.00 -0.88 115.11 116.91 1yhu h GLN 33 Ca 0.19 -0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.02 1yhu h GLN 33 Cb 0.27 -0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.88 1yhu h GLN 33 CO -0.33 0.36 0.62 0.00 -0.67 0.00 0.00 178.83 178.80 1yhu h ALA 34 N 1.01 1.70 0.57 3.87 0.00 -0.91 0.50 119.26 126.00 1yhu h ALA 34 Ca 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1yhu h ALA 34 Cb 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yhu h ALA 34 CO -0.01 -0.03 -0.27 0.28 0.00 0.00 0.00 179.25 179.21 1yhu h VAL 35 N 0.78 0.00 -0.73 0.00 2.07 -0.77 -2.65 116.25 114.95 1yhu h VAL 35 Ca 0.55 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.79 1yhu h VAL 35 Cb 0.83 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1yhu h VAL 35 CO -0.33 0.00 0.36 -0.26 0.02 0.00 0.00 177.57 177.36 1yhu h PHE 36 N -1.13 0.65 -0.67 1.57 0.04 -0.64 0.21 116.94 116.97 1yhu h PHE 36 Ca -0.08 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.81 1yhu h PHE 36 Cb 0.58 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.48 1yhu h PHE 36 CO 0.01 0.23 0.32 -0.22 -0.60 0.00 0.00 178.31 178.05 1yhu h LYS 37 N 0.61 0.54 -0.21 1.51 3.64 -0.08 0.26 116.57 122.84 1yhu h LYS 37 Ca 0.36 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.57 1yhu h LYS 37 Cb 0.39 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1yhu h LYS 37 CO -0.28 0.36 -0.45 0.22 -2.27 0.00 0.00 179.45 177.03 1yhu h ASP 38 N 0.56 0.56 0.24 4.20 1.82 -0.77 -2.31 116.42 120.72 1yhu h ASP 38 Ca 0.33 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1yhu h ASP 38 Cb 0.35 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1yhu h ASP 38 CO -0.26 0.93 -0.11 0.25 -1.61 0.00 0.00 179.24 178.43 1yhu h LEU 39 N 0.42 -0.27 -2.34 2.28 5.85 0.80 -2.55 115.31 119.50 1yhu h LEU 39 Ca 0.03 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1yhu h LEU 39 Cb 0.95 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1yhu h LEU 39 CO 0.08 0.01 0.12 -0.26 -0.34 0.00 0.00 178.44 178.05 1yhu h PHE 40 N -0.56 0.00 0.06 1.25 0.04 -0.55 -0.35 116.94 116.83 1yhu h PHE 40 Ca -0.03 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.47 1yhu h PHE 40 Cb 0.41 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.58 1yhu h PHE 40 CO 0.00 0.00 -1.07 0.00 -0.60 0.00 0.00 178.31 176.65 1yhu h ALA 41 N 1.86 0.05 0.00 2.45 0.00 -1.16 -3.31 119.26 119.15 1yhu h ALA 41 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1yhu h ALA 41 Cb 0.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1yhu h ALA 41 CO -0.00 0.63 -0.41 0.09 0.00 0.00 0.00 179.25 179.56 1yhu n ASN 42 N -3.89 0.41 -3.49 0.00 4.13 -0.81 -4.55 115.26 107.06 1yhu n ASN 42 Ca -0.12 -0.12 -0.29 0.00 1.68 0.00 0.00 54.58 55.73 1yhu n ASN 42 Cb 0.90 0.12 -0.12 0.00 -1.54 0.00 0.00 39.78 39.14 1yhu n ASN 42 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1yhu s VAL 43 N -3.00 0.38 0.01 2.41 1.01 -0.21 -5.06 120.40 115.94 1yhu s VAL 43 Ca 0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 1yhu s VAL 43 Cb 0.18 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1yhu s VAL 43 CO 0.67 -1.02 1.04 1.55 0.00 0.00 0.00 175.10 177.34 1yhu h PRO 44 N 6.74 -0.01 0.00 2.72 0.13 -1.80 -1.80 132.00 137.97 1yhu h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1yhu h PRO 44 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1yhu h PRO 44 CO 0.31 -0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.68 1yhu n ASP 45 N -3.06 0.00 -0.05 1.44 5.68 -1.26 -3.21 116.55 116.08 1yhu n ASP 45 Ca 0.00 -0.20 -0.12 0.00 -0.50 0.00 0.00 54.79 53.97 1yhu n ASP 45 Cb 0.02 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.94 1yhu n ASP 45 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yhu h ALA 46 N 2.08 0.22 -1.06 2.12 0.00 -1.67 -2.95 119.26 118.00 1yhu h ALA 46 Ca 0.00 -0.22 0.30 0.00 0.00 0.00 0.00 54.91 55.00 1yhu h ALA 46 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1yhu h ALA 46 CO 0.00 -0.05 0.75 0.28 0.00 0.00 0.00 179.25 180.23 1yhu h VAL 47 N 0.02 0.48 0.00 0.00 2.07 -1.73 0.23 116.25 117.32 1yhu h VAL 47 Ca 0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1yhu h VAL 47 Cb 0.42 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1yhu h VAL 47 CO 0.01 0.01 0.00 1.23 0.02 0.00 0.00 177.57 178.84 1yhu h GLY 48 N 0.06 0.00 1.85 2.17 0.00 -1.76 -2.57 103.07 102.81 1yhu h GLY 48 Ca 0.52 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.67 1yhu h GLY 48 CO -0.04 0.00 -0.91 1.41 0.00 0.00 0.00 176.54 177.00 1yhu h LEU 49 N 0.00 0.00 -3.77 3.11 3.38 -0.70 -3.34 115.31 114.00 1yhu h LEU 49 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1yhu h LEU 49 Cb 0.08 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.57 1yhu h LEU 49 CO 0.00 0.79 0.65 0.49 0.09 0.00 0.00 178.44 180.46 1yhu n PHE 50 N -3.25 2.68 -0.15 1.13 3.01 -0.97 -4.54 117.46 115.38 1yhu n PHE 50 Ca -0.01 -2.14 -0.08 0.00 1.01 0.00 0.00 57.45 56.23 1yhu n PHE 50 Cb 0.87 -1.06 0.01 0.00 -0.01 0.00 0.00 39.48 39.29 1yhu n PHE 50 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1yhu h GLY 51 N 1.77 0.63 1.34 1.37 0.00 -1.72 -0.01 103.07 106.45 1yhu h GLY 51 Ca 0.53 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.69 1yhu h GLY 51 CO 1.13 0.23 0.27 0.00 0.00 0.00 0.00 176.54 178.18 1yhu h ALA 52 N 1.17 1.76 -0.32 3.60 0.00 -1.92 -1.89 119.26 121.65 1yhu h ALA 52 Ca 0.16 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1yhu h ALA 52 Cb -0.07 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.54 1yhu h ALA 52 CO -0.04 -0.38 -0.65 1.33 0.00 0.00 0.00 179.25 179.51 1yhu n VAL 53 N -3.59 2.29 -3.99 0.00 0.24 -0.81 -4.99 118.33 107.47 1yhu n VAL 53 Ca 0.02 -3.61 -0.40 0.00 -2.04 0.00 0.00 64.34 58.32 1yhu n VAL 53 Cb 0.40 -0.57 0.01 0.00 -1.47 0.00 0.00 33.84 32.21 1yhu n VAL 53 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1yhu n LYS 54 N -0.91 -0.80 0.00 7.34 5.02 -0.71 -2.64 118.16 125.46 1yhu n LYS 54 Ca 0.29 0.20 0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1yhu n LYS 54 Cb 0.82 -3.20 0.27 0.00 -0.02 0.00 0.00 35.03 32.90 1yhu n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yhu n GLY 55 N -2.04 -0.52 0.11 0.72 0.00 -0.08 -2.14 105.19 101.24 1yhu n GLY 55 Ca -0.14 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1yhu n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yhu h ASP 56 N 0.00 0.24 -2.58 1.61 3.32 -1.87 -3.38 116.42 113.76 1yhu h ASP 56 Ca 0.00 -0.85 -0.76 0.00 0.02 0.00 0.00 57.03 55.44 1yhu h ASP 56 Cb 0.06 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 39.32 1yhu h ASP 56 CO 0.00 1.40 1.10 -0.62 -1.72 0.00 0.00 179.24 179.40 1yhu n GLU 57 N -4.22 3.47 0.29 3.56 1.02 -0.91 -4.85 120.64 119.00 1yhu n GLU 57 Ca -0.20 -4.04 0.15 0.00 -0.02 0.00 0.00 57.16 53.04 1yhu n GLU 57 Cb 0.74 -2.87 0.79 0.00 -0.02 0.00 0.00 31.44 30.09 1yhu n GLU 57 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1yhu h VAL 58 N 4.25 0.00 -0.52 2.62 -1.51 -1.76 0.43 116.25 119.76 1yhu h VAL 58 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 1yhu h VAL 58 Cb 0.85 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1yhu h VAL 58 CO 1.20 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 174.34 1yhu n ASN 59 N -2.71 3.54 -4.79 4.19 5.15 -1.26 -4.37 115.26 115.00 1yhu n ASN 59 Ca -0.02 -1.99 -0.34 0.00 -0.60 0.00 0.00 54.58 51.63 1yhu n ASN 59 Cb 0.27 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 1yhu n ASN 59 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1yhu s SER 60 N -1.28 6.21 0.18 1.20 1.04 0.15 -4.86 113.70 116.33 1yhu s SER 60 Ca 0.42 1.97 -0.13 0.00 0.48 0.00 0.00 55.95 58.69 1yhu s SER 60 Cb 0.23 -2.56 0.10 0.00 0.10 0.00 0.00 66.02 63.90 1yhu s SER 60 CO 0.32 -0.88 1.83 0.78 0.98 0.00 0.00 173.24 176.28 1yhu h ASN 61 N 1.44 0.60 -0.65 7.02 -0.26 -1.92 -0.13 115.58 121.67 1yhu h ASN 61 Ca -0.49 -0.01 0.14 0.00 -0.56 0.00 0.00 56.30 55.38 1yhu h ASN 61 Cb 1.23 -0.14 -0.11 0.00 -1.06 0.00 0.00 38.32 38.24 1yhu h ASN 61 CO 0.59 0.43 0.03 -0.33 -1.06 0.00 0.00 177.43 177.09 1yhu h GLU 62 N 0.72 0.14 -0.01 0.81 3.07 -1.92 0.31 114.58 117.70 1yhu h GLU 62 Ca 0.22 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.81 1yhu h GLU 62 Cb -0.03 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1yhu h GLU 62 CO -0.07 0.09 -1.01 0.35 -1.40 0.00 0.00 179.01 176.97 1yhu h PHE 63 N 0.14 0.98 0.09 4.33 3.57 -1.20 -2.52 116.94 122.33 1yhu h PHE 63 Ca 0.35 -0.53 0.02 0.00 3.53 0.00 0.00 57.97 61.34 1yhu h PHE 63 Cb 0.57 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1yhu h PHE 63 CO -0.35 1.36 -0.26 0.87 -2.23 0.00 0.00 178.31 177.70 1yhu h LYS 64 N 0.38 -0.43 -1.01 1.11 1.57 -0.45 0.48 116.57 118.23 1yhu h LYS 64 Ca -0.12 0.03 0.23 0.00 -1.87 0.00 0.00 60.65 58.92 1yhu h LYS 64 Cb 1.66 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.96 1yhu h LYS 64 CO 0.20 -0.29 0.62 0.00 -0.57 0.00 0.00 179.45 179.41 1yhu h ALA 65 N 0.32 1.93 0.29 3.86 0.00 -0.98 0.19 119.26 124.86 1yhu h ALA 65 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1yhu h ALA 65 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1yhu h ALA 65 CO -0.17 -0.33 -0.14 1.25 0.00 0.00 0.00 179.25 179.86 1yhu h HIS 66 N 0.57 -0.36 -0.34 0.00 -0.00 -0.40 -0.98 115.15 113.62 1yhu h HIS 66 Ca 0.59 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 61.03 1yhu h HIS 66 Cb 1.21 0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 28.65 1yhu h HIS 66 CO -0.00 -0.09 -0.27 0.00 -0.00 0.00 0.00 177.93 177.57 1yhu h ILE 68 N -0.23 0.33 -0.71 0.00 1.08 -0.58 0.20 117.51 117.60 1yhu h ILE 68 Ca 0.17 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.62 1yhu h ILE 68 Cb 0.49 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 1yhu h ILE 68 CO -0.48 0.00 0.37 0.03 -0.69 0.00 0.00 178.15 177.38 1yhu h ARG 69 N -0.02 1.00 0.46 2.37 3.08 0.59 -0.65 114.38 121.22 1yhu h ARG 69 Ca 0.31 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1yhu h ARG 69 Cb 0.49 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1yhu h ARG 69 CO -0.68 0.75 -0.22 0.28 -1.07 0.00 0.00 179.97 179.03 1yhu h VAL 70 N 1.00 0.37 -0.93 2.04 2.07 0.19 -0.88 116.25 120.11 1yhu h VAL 70 Ca 0.25 -0.51 0.16 0.00 0.82 0.00 0.00 66.70 67.42 1yhu h VAL 70 Cb 0.06 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 1yhu h VAL 70 CO -0.04 0.06 0.53 0.58 0.02 0.00 0.00 177.57 178.72 1yhu h VAL 71 N -0.99 0.73 0.05 2.57 2.07 -0.71 0.69 116.25 120.66 1yhu h VAL 71 Ca -0.06 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1yhu h VAL 71 Cb 0.58 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1yhu h VAL 71 CO 0.10 0.13 -0.02 -1.13 0.02 0.00 0.00 177.57 176.67 1yhu h ASN 72 N 0.71 -0.06 -0.47 0.57 -1.24 -1.03 -1.31 115.58 112.76 1yhu h ASN 72 Ca 0.52 -0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.60 1yhu h ASN 72 Cb 0.75 0.01 -0.07 0.00 0.73 0.00 0.00 38.32 39.74 1yhu h ASN 72 CO -0.37 -0.03 0.04 1.23 -1.29 0.00 0.00 177.43 177.02 1yhu h GLY 73 N -0.08 0.52 1.43 1.57 0.00 0.54 0.51 103.07 107.57 1yhu h GLY 73 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1yhu h GLY 73 CO 0.01 -0.10 0.17 -2.00 0.00 0.00 0.00 176.54 174.62 1yhu h LEU 74 N 0.16 0.67 -0.30 3.11 5.85 -0.93 -1.73 115.31 122.14 1yhu h LEU 74 Ca 0.24 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1yhu h LEU 74 Cb 0.33 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1yhu h LEU 74 CO -0.35 0.63 0.16 -0.78 -0.34 0.00 0.00 178.44 177.75 1yhu h ASP 75 N 0.72 0.38 -0.31 1.25 3.58 0.02 -0.08 116.42 121.97 1yhu h ASP 75 Ca 0.17 -0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.59 1yhu h ASP 75 Cb 0.19 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.06 1yhu h ASP 75 CO -0.01 0.37 -0.36 0.28 -2.88 0.00 0.00 179.24 176.64 1yhu h SER 76 N 0.36 -1.16 0.02 2.28 0.02 -0.09 -0.41 113.55 114.57 1yhu h SER 76 Ca 0.10 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1yhu h SER 76 Cb 0.08 0.52 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1yhu h SER 76 CO -0.02 -0.35 -0.01 0.77 -1.14 0.00 0.00 176.83 176.08 1yhu h SER 77 N -0.33 -0.03 -0.33 3.07 4.64 -1.23 -1.16 113.55 118.18 1yhu h SER 77 Ca 0.14 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1yhu h SER 77 Cb 0.56 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.59 1yhu h SER 77 CO -0.49 0.19 -0.10 0.40 -0.87 0.00 0.00 176.83 175.96 1yhu h ILE 78 N -0.24 0.64 -0.27 0.95 2.04 -0.70 -0.64 117.51 119.28 1yhu h ILE 78 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1yhu h ILE 78 Cb 0.22 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1yhu h ILE 78 CO 0.01 0.00 -0.15 1.23 0.00 0.00 0.00 178.15 179.24 1yhu h GLY 79 N -0.02 0.50 1.68 5.37 0.00 -1.06 -2.35 103.07 107.20 1yhu h GLY 79 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1yhu h GLY 79 CO -0.35 0.33 0.00 -0.10 0.00 0.00 0.00 176.54 176.41 1yhu n LEU 80 N -4.19 0.00 0.29 3.11 7.94 -0.38 -3.14 117.00 120.63 1yhu n LEU 80 Ca 0.00 0.34 0.18 0.00 -1.11 0.00 0.00 56.01 55.42 1yhu n LEU 80 Cb 0.33 -0.34 0.97 0.00 0.53 0.00 0.00 43.42 44.91 1yhu n LEU 80 CO 0.40 -0.11 1.15 -0.07 -1.11 0.00 0.00 177.39 177.65 1yhu h LEU 81 N 0.00 0.00 -0.00 -1.96 3.38 -0.63 0.78 115.31 116.88 1yhu h LEU 81 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yhu h LEU 81 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1yhu h LEU 81 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1yhu n SER 82 N -3.60 0.02 -3.21 -0.43 7.64 -1.19 -3.98 113.62 108.88 1yhu n SER 82 Ca -0.02 0.50 -0.24 0.00 1.01 0.00 0.00 58.87 60.12 1yhu n SER 82 Cb 0.14 -0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 1yhu n SER 82 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1yhu n ASP 83 N -1.52 0.02 -0.31 6.43 4.64 0.26 -5.00 116.55 121.07 1yhu n ASP 83 Ca 0.06 -2.66 0.17 0.00 -1.38 0.00 0.00 54.79 50.98 1yhu n ASP 83 Cb 0.30 -0.58 0.34 0.00 -1.04 0.00 0.00 41.12 40.15 1yhu n ASP 83 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1yhu h PRO 84 N 4.21 0.13 -0.57 -0.67 0.11 -1.68 0.41 132.00 133.94 1yhu h PRO 84 Ca 0.09 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.31 1yhu h PRO 84 Cb 0.89 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 31.87 1yhu h PRO 84 CO 0.44 0.09 -0.05 0.00 -0.21 0.00 0.00 178.00 178.27 1yhu h ALA 85 N 1.87 0.49 0.08 -0.75 0.00 -1.94 0.20 119.26 119.21 1yhu h ALA 85 Ca 0.62 0.19 -0.25 0.00 0.00 0.00 0.00 54.91 55.47 1yhu h ALA 85 Cb 1.34 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1yhu h ALA 85 CO -0.74 -0.41 -1.16 1.15 0.00 0.00 0.00 179.25 178.09 1yhu h THR 86 N 0.07 1.58 -0.34 0.00 2.02 -1.45 -3.22 112.91 111.58 1yhu h THR 86 Ca 0.29 -3.19 0.06 0.00 0.77 0.00 0.00 66.41 64.34 1yhu h THR 86 Cb 0.45 2.91 -0.06 0.00 -1.74 0.00 0.00 68.15 69.72 1yhu h THR 86 CO -0.52 0.92 -0.02 0.25 0.37 0.00 0.00 175.52 176.52 1yhu h LEU 87 N 0.05 -0.19 -0.69 2.58 5.85 0.30 -1.11 115.31 122.10 1yhu h LEU 87 Ca -0.09 0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1yhu h LEU 87 Cb 1.90 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 42.98 1yhu h LEU 87 CO 0.18 -0.06 0.08 0.78 -0.34 0.00 0.00 178.44 179.08 1yhu h ASN 88 N 0.07 -0.17 0.03 1.25 -0.26 -0.67 0.38 115.58 116.21 1yhu h ASN 88 Ca 0.16 0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1yhu h ASN 88 Cb 0.23 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1yhu h ASN 88 CO -0.29 -0.09 -0.01 -0.33 -1.06 0.00 0.00 177.43 175.64 1yhu h GLU 89 N 0.18 -0.04 -0.40 0.81 4.39 -1.39 -1.01 114.58 117.12 1yhu h GLU 89 Ca 0.38 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.12 1yhu h GLU 89 Cb 0.64 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1yhu h GLU 89 CO -0.54 0.09 0.17 0.37 -1.16 0.00 0.00 179.01 177.94 1yhu h GLN 90 N -0.15 0.35 -0.40 2.33 5.75 0.10 -1.22 115.11 121.86 1yhu h GLN 90 Ca -0.00 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 1yhu h GLN 90 Cb 0.14 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1yhu h GLN 90 CO 0.01 0.23 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.31 1yhu h LEU 91 N 0.36 0.64 -1.00 -2.39 3.38 -0.26 -1.41 115.31 114.63 1yhu h LEU 91 Ca 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1yhu h LEU 91 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1yhu h LEU 91 CO -0.15 0.74 0.51 -1.28 0.09 0.00 0.00 178.44 178.36 1yhu h SER 92 N 0.63 1.07 0.11 -0.43 0.87 -0.46 0.36 113.55 115.71 1yhu h SER 92 Ca 0.12 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1yhu h SER 92 Cb 0.45 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1yhu h SER 92 CO 0.02 0.84 -0.05 -0.74 -0.53 0.00 0.00 176.83 176.36 1yhu h HIS 93 N 1.22 -0.14 -0.95 2.24 -0.00 -0.62 -1.35 115.15 115.54 1yhu h HIS 93 Ca 0.31 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.79 1yhu h HIS 93 Cb -0.02 0.05 -0.08 0.00 -0.00 0.00 0.00 27.41 27.35 1yhu h HIS 93 CO 0.01 0.11 0.58 -0.07 -0.00 0.00 0.00 177.93 178.56 1yhu h LEU 94 N -0.38 0.85 -0.13 0.26 3.38 -0.80 -0.90 115.31 117.59 1yhu h LEU 94 Ca -0.02 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1yhu h LEU 94 Cb 0.31 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1yhu h LEU 94 CO 0.03 0.46 -0.11 0.00 0.09 0.00 0.00 178.44 178.91 1yhu h ALA 95 N 1.51 -0.01 -0.69 1.53 0.00 0.14 -1.90 119.26 119.84 1yhu h ALA 95 Ca 0.47 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.47 1yhu h ALA 95 Cb 0.45 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1yhu h ALA 95 CO -0.26 -0.56 0.42 1.15 0.00 0.00 0.00 179.25 180.00 1yhu h THR 96 N -0.12 1.06 0.00 0.00 2.02 -0.08 0.12 112.91 115.91 1yhu h THR 96 Ca 0.08 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1yhu h THR 96 Cb 0.24 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1yhu h THR 96 CO -0.20 0.15 -0.00 1.56 0.37 0.00 0.00 175.52 177.39 1yhu h GLN 97 N 0.81 0.00 0.00 6.66 4.20 -0.56 -2.20 115.11 124.03 1yhu h GLN 97 Ca 0.29 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.71 1yhu h GLN 97 Cb 0.06 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1yhu h GLN 97 CO -0.13 0.00 -2.03 0.72 -0.67 0.00 0.00 178.83 176.73 1yhu n HIS 98 N -3.58 0.40 0.24 2.96 8.25 -0.28 -4.02 115.22 119.17 1yhu n HIS 98 Ca -0.03 0.14 0.07 0.00 -0.26 0.00 0.00 57.72 57.64 1yhu n HIS 98 Cb 0.08 -1.01 0.56 0.00 1.12 0.00 0.00 29.99 30.75 1yhu n HIS 98 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1yhu h LYS 99 N 0.00 0.00 0.00 -0.41 1.57 -0.21 -2.12 116.57 115.40 1yhu h LYS 99 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1yhu h LYS 99 Cb 1.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.27 1yhu h LYS 99 CO 0.04 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 1yhu n ALA 100 N -2.47 2.05 -3.45 3.86 0.00 -1.02 -4.61 120.51 114.87 1yhu n ALA 100 Ca -0.02 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1yhu n ALA 100 Cb 0.22 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 1yhu n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yhu s ARG 101 N -2.67 2.71 0.07 0.00 1.81 -0.80 -5.08 118.95 114.99 1yhu s ARG 101 Ca 0.17 -1.09 -0.31 0.00 -1.72 0.00 0.00 55.73 52.78 1yhu s ARG 101 Cb 0.14 -3.25 -0.07 0.00 -0.45 0.00 0.00 34.95 31.31 1yhu s ARG 101 CO 0.33 -0.55 1.44 -1.12 -0.68 0.00 0.00 175.30 174.72 1yhu s SER 102 N 1.36 6.79 0.00 0.23 0.01 -1.26 -2.67 113.70 118.15 1yhu s SER 102 Ca -0.01 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.53 1yhu s SER 102 Cb -0.18 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1yhu s SER 102 CO 0.00 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1yhu n GLY 103 N 3.64 1.96 3.59 3.44 0.00 -1.26 -4.99 105.19 111.57 1yhu n GLY 103 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1yhu n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhu s VAL 104 N -1.87 3.94 0.16 1.61 1.01 -1.09 -4.99 120.40 119.17 1yhu s VAL 104 Ca 0.00 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.93 1yhu s VAL 104 Cb 0.00 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1yhu s VAL 104 CO 0.00 -1.05 0.09 0.42 0.00 0.00 0.00 175.10 174.56 1yhu s THR 105 N 5.38 4.25 0.34 3.92 -4.23 -1.26 -4.42 115.64 119.63 1yhu s THR 105 Ca 0.53 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1yhu s THR 105 Cb -0.10 -3.15 0.30 0.00 1.34 0.00 0.00 72.50 70.88 1yhu s THR 105 CO 0.29 -0.09 1.92 0.50 -0.54 0.00 0.00 174.62 176.70 1yhu h LYS 106 N 2.58 0.79 0.00 3.99 3.64 -1.77 0.20 116.57 126.00 1yhu h LYS 106 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1yhu h LYS 106 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1yhu h LYS 106 CO 0.62 0.52 0.00 0.78 -2.27 0.00 0.00 179.45 179.10 1yhu h GLY 107 N 0.81 0.00 0.99 5.01 0.00 -0.89 -2.38 103.07 106.60 1yhu h GLY 107 Ca 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 1yhu h GLY 107 CO -0.14 0.00 -0.15 -1.33 0.00 0.00 0.00 176.54 174.92 1yhu h GLY 108 N 1.84 0.84 0.86 4.60 0.00 -0.83 -2.47 103.07 107.92 1yhu h GLY 108 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1yhu h GLY 108 CO 0.00 0.67 -0.07 0.74 0.00 0.00 0.00 176.54 177.88 1yhu h PHE 109 N 0.57 -0.18 -1.55 5.60 -1.00 -1.36 -0.59 116.94 118.43 1yhu h PHE 109 Ca 0.09 -0.00 0.48 0.00 2.81 0.00 0.00 57.97 61.35 1yhu h PHE 109 Cb 0.69 0.06 -0.11 0.00 3.61 0.00 0.00 35.95 40.20 1yhu h PHE 109 CO 0.06 0.00 1.06 1.03 -1.61 0.00 0.00 178.31 178.85 1yhu h SER 110 N -0.34 0.13 0.00 2.17 0.87 -1.28 0.12 113.55 115.23 1yhu h SER 110 Ca -0.02 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1yhu h SER 110 Cb 0.27 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1yhu h SER 110 CO 0.03 -0.12 -0.08 0.00 -0.53 0.00 0.00 176.83 176.14 1yhu h ALA 111 N 1.38 0.01 -0.86 6.23 0.00 -0.79 -3.25 119.26 121.98 1yhu h ALA 111 Ca 0.85 -0.22 0.24 0.00 0.00 0.00 0.00 54.91 55.79 1yhu h ALA 111 Cb 3.01 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 20.82 1yhu h ALA 111 CO -0.25 0.06 0.61 0.97 0.00 0.00 0.00 179.25 180.64 1yhu h ILE 112 N -1.00 0.58 -0.25 0.00 2.10 0.44 0.36 117.51 119.75 1yhu h ILE 112 Ca -0.01 -0.02 -0.00 0.00 1.08 0.00 0.00 64.86 65.91 1yhu h ILE 112 Cb 0.36 0.53 -0.01 0.00 -1.09 0.00 0.00 36.82 36.60 1yhu h ILE 112 CO -0.01 0.01 0.14 0.00 -1.08 0.00 0.00 178.15 177.21 1yhu h ALA 113 N 1.58 0.32 -0.48 0.18 0.00 -0.95 -0.64 119.26 119.26 1yhu h ALA 113 Ca 0.42 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1yhu h ALA 113 Cb 1.58 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1yhu h ALA 113 CO -0.03 -0.16 0.27 1.96 0.00 0.00 0.00 179.25 181.29 1yhu h GLN 114 N 0.30 0.52 0.13 0.00 4.20 -0.34 -1.72 115.11 118.19 1yhu h GLN 114 Ca 0.09 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1yhu h GLN 114 Cb 0.05 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 1yhu h GLN 114 CO -0.01 0.34 -0.51 0.77 -0.67 0.00 0.00 178.83 178.75 1yhu h SER 115 N 0.54 -1.52 -0.83 1.46 0.02 -0.77 -0.27 113.55 112.16 1yhu h SER 115 Ca 0.20 0.16 0.21 0.00 -0.84 0.00 0.00 61.79 61.52 1yhu h SER 115 Cb 0.05 0.56 -0.13 0.00 0.14 0.00 0.00 62.40 63.02 1yhu h SER 115 CO -0.11 -0.55 0.17 -0.26 -1.14 0.00 0.00 176.83 174.94 1yhu h PHE 116 N -0.74 0.25 -0.07 3.45 -1.00 -0.77 0.88 116.94 118.94 1yhu h PHE 116 Ca -0.00 0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.85 1yhu h PHE 116 Cb 0.75 0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 1yhu h PHE 116 CO -0.43 -0.19 0.06 -0.07 -1.61 0.00 0.00 178.31 176.06 1yhu h LEU 117 N 0.20 0.00 0.05 1.54 3.38 -0.18 0.97 115.31 121.27 1yhu h LEU 117 Ca 0.50 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.20 1yhu h LEU 117 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1yhu h LEU 117 CO -0.63 0.00 -1.38 0.03 0.09 0.00 0.00 178.44 176.55 1yhu h ARG 118 N 0.00 0.11 0.00 1.13 3.08 0.18 -3.40 114.38 115.47 1yhu h ARG 118 Ca 0.03 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1yhu h ARG 118 Cb 0.15 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1yhu h ARG 118 CO -0.00 0.93 -0.16 0.28 -1.07 0.00 0.00 179.97 179.95 1yhu h VAL 119 N 0.03 0.20 -0.88 2.04 2.07 0.22 -3.40 116.25 116.52 1yhu h VAL 119 Ca -0.17 -1.17 0.13 0.00 0.82 0.00 0.00 66.70 66.32 1yhu h VAL 119 Cb 1.93 0.39 -0.14 0.00 -1.52 0.00 0.00 31.29 31.95 1yhu h VAL 119 CO 0.13 0.07 -0.37 0.23 0.02 0.00 0.00 177.57 177.65 1yhu n MET 120 N -4.71 -0.23 0.15 1.57 2.81 0.21 0.18 117.12 117.09 1yhu n MET 120 Ca -0.04 1.35 0.19 0.00 -1.81 0.00 0.00 57.70 57.39 1yhu n MET 120 Cb 0.13 -2.00 0.74 0.00 -0.71 0.00 0.00 33.22 31.38 1yhu n MET 120 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1yhu h PRO 121 N 0.00 0.00 0.07 0.03 0.13 -1.78 0.77 132.00 131.23 1yhu h PRO 121 Ca 0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.14 1yhu h PRO 121 Cb 0.50 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.65 1yhu h PRO 121 CO -0.87 0.00 -1.13 1.96 -0.23 0.00 0.00 178.00 177.73 1yhu h GLN 122 N 0.00 0.50 0.00 0.86 4.20 -0.49 -3.39 115.11 116.80 1yhu h GLN 122 Ca 0.15 -0.64 -0.39 0.00 0.06 0.00 0.00 58.65 57.84 1yhu h GLN 122 Cb 1.05 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 28.97 1yhu h GLN 122 CO -0.00 1.26 -2.47 1.55 -0.67 0.00 0.00 178.83 178.50 1yhu n VAL 123 N -3.73 1.48 -1.76 -0.54 3.14 -0.26 -4.98 118.33 111.67 1yhu n VAL 123 Ca -0.10 -0.59 -0.33 0.00 -2.96 0.00 0.00 64.34 60.36 1yhu n VAL 123 Cb 0.94 -1.36 0.05 0.00 -1.06 0.00 0.00 33.84 32.41 1yhu n VAL 123 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yhu s ALA 124 N -2.52 2.46 0.00 1.55 0.00 0.25 -4.96 121.76 118.55 1yhu s ALA 124 Ca -0.33 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1yhu s ALA 124 Cb 0.09 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1yhu s ALA 124 CO 0.61 -1.29 0.00 0.43 0.00 0.00 0.00 175.76 175.52 1yhu n SER 125 N -2.38 0.00 -4.57 0.00 7.64 -1.26 -4.58 113.62 108.47 1yhu n SER 125 Ca 0.11 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 1yhu n SER 125 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 1yhu n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yhu s PHE 127 N 10.13 3.46 -0.56 0.00 5.36 -1.26 -4.98 117.98 130.12 1yhu s PHE 127 Ca 0.68 1.68 0.02 0.00 -0.96 0.00 0.00 56.93 58.35 1yhu s PHE 127 Cb -0.03 -3.23 0.14 0.00 -0.34 0.00 0.00 43.02 39.57 1yhu s PHE 127 CO 0.07 -0.59 0.33 1.21 -1.46 0.00 0.00 175.22 174.78 1yhu s ASN 128 N -1.14 4.59 0.17 6.13 3.84 -1.26 -5.00 114.94 122.27 1yhu s ASN 128 Ca 0.50 -3.05 -0.20 0.00 0.21 0.00 0.00 52.86 50.32 1yhu s ASN 128 Cb -0.28 -1.69 0.10 0.00 -0.55 0.00 0.00 41.25 38.82 1yhu s ASN 128 CO 0.36 -0.25 1.62 1.55 -2.79 0.00 0.00 177.10 177.59 1yhu h PRO 129 N 6.53 -0.14 0.33 0.43 0.13 -1.97 -1.53 132.00 135.77 1yhu h PRO 129 Ca -0.05 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1yhu h PRO 129 Cb 0.89 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 1yhu h PRO 129 CO 0.70 -0.10 -0.50 -0.44 -0.23 0.00 0.00 178.00 177.43 1yhu h ASP 130 N -0.15 -1.43 -0.20 1.44 3.45 -1.99 0.28 116.42 117.82 1yhu h ASP 130 Ca 0.20 0.13 0.04 0.00 0.43 0.00 0.00 57.03 57.83 1yhu h ASP 130 Cb 0.46 0.50 -0.04 0.00 -0.56 0.00 0.00 39.33 39.69 1yhu h ASP 130 CO -0.51 -0.60 -0.05 0.00 -1.57 0.00 0.00 179.24 176.50 1yhu h ALA 131 N -0.79 0.13 -0.39 3.45 0.00 -1.94 -0.66 119.26 119.05 1yhu h ALA 131 Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1yhu h ALA 131 Cb 0.80 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1yhu h ALA 131 CO -0.15 -0.48 -0.08 2.35 0.00 0.00 0.00 179.25 180.89 1yhu h TRP 132 N -0.01 -0.17 0.41 0.00 2.91 -1.04 -2.36 115.95 115.69 1yhu h TRP 132 Ca 0.10 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 1yhu h TRP 132 Cb 0.15 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 1yhu h TRP 132 CO -0.22 -0.15 -0.41 1.03 -1.03 0.00 0.00 178.44 177.66 1yhu h SER 133 N 0.02 -1.11 -0.82 2.65 0.87 0.33 0.38 113.55 115.87 1yhu h SER 133 Ca 0.19 0.09 0.13 0.00 -1.23 0.00 0.00 61.79 60.97 1yhu h SER 133 Cb 0.29 0.37 -0.14 0.00 -0.44 0.00 0.00 62.40 62.48 1yhu h SER 133 CO -0.39 -0.56 -0.38 0.03 -0.53 0.00 0.00 176.83 175.00 1yhu h ARG 134 N -0.84 -0.07 -0.06 2.24 3.08 -0.79 0.96 114.38 118.91 1yhu h ARG 134 Ca -0.04 0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 1yhu h ARG 134 Cb 0.75 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1yhu h ARG 134 CO -0.06 -0.05 -0.67 0.00 -1.07 0.00 0.00 179.97 178.12 1yhu h PHE 136 N 0.17 0.29 0.00 0.00 3.57 0.14 -1.90 116.94 119.21 1yhu h PHE 136 Ca -0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1yhu h PHE 136 Cb 1.20 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1yhu h PHE 136 CO 0.02 0.22 -0.10 -0.91 -2.23 0.00 0.00 178.31 175.31 1yhu h ASN 137 N 0.28 0.00 -0.44 0.41 2.35 -0.83 0.64 115.58 117.99 1yhu h ASN 137 Ca 0.08 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1yhu h ASN 137 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1yhu h ASN 137 CO -0.02 0.10 0.09 -0.09 -1.65 0.00 0.00 177.43 175.87 1yhu h ARG 138 N 0.00 0.71 -0.54 0.81 9.65 -0.97 0.87 114.38 124.90 1yhu h ARG 138 Ca -0.00 -0.18 -0.10 0.00 -1.10 0.00 0.00 59.98 58.60 1yhu h ARG 138 Cb 0.19 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 1yhu h ARG 138 CO 0.01 0.72 -0.05 0.82 2.80 0.00 0.00 179.97 184.28 1yhu h ILE 139 N 0.57 1.27 0.76 1.20 2.04 -0.56 -3.06 117.51 119.73 1yhu h ILE 139 Ca 0.13 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1yhu h ILE 139 Cb 0.34 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1yhu h ILE 139 CO 0.00 0.42 -0.46 0.74 0.00 0.00 0.00 178.15 178.86 1yhu h THR 140 N 0.87 0.08 -0.86 -0.27 2.02 -0.67 -1.99 112.91 112.08 1yhu h THR 140 Ca 0.15 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.50 1yhu h THR 140 Cb 0.60 0.08 -0.16 0.00 -1.74 0.00 0.00 68.15 66.93 1yhu h THR 140 CO 0.04 0.00 -0.23 0.41 0.37 0.00 0.00 175.52 176.11 1yhu n THR 141 N -5.60 -0.37 -0.03 3.16 -1.04 0.28 -0.24 114.28 110.43 1yhu n THR 141 Ca -0.14 1.98 -0.12 0.00 -2.04 0.00 0.00 64.05 63.73 1yhu n THR 141 Cb 0.48 -2.73 -0.07 0.00 -1.82 0.00 0.00 70.33 66.18 1yhu n THR 141 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1yhu h GLY 142 N 0.00 0.19 1.40 3.41 0.00 -1.42 -3.08 103.07 103.57 1yhu h GLY 142 Ca 0.40 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.63 1yhu h GLY 142 CO -0.89 0.14 0.29 -0.33 0.00 0.00 0.00 176.54 175.75 1yhu h MET 143 N -0.15 0.36 -2.70 4.80 2.86 0.16 -3.23 114.93 117.02 1yhu h MET 143 Ca 0.02 -0.02 -0.73 0.00 -2.06 0.00 0.00 59.70 56.91 1yhu h MET 143 Cb 0.42 -0.08 -0.33 0.00 0.06 0.00 0.00 31.60 31.66 1yhu h MET 143 CO 0.01 0.24 0.23 -2.37 1.06 0.00 0.00 176.91 176.08 1yhu n THR 144 N -4.48 4.12 -0.05 2.22 5.66 0.45 -3.66 114.28 118.54 1yhu n THR 144 Ca 0.05 -5.62 -0.01 0.00 -3.05 0.00 0.00 64.05 55.42 1yhu n THR 144 Cb 0.22 -2.12 -0.00 0.00 -1.55 0.00 0.00 70.33 66.88 1yhu n THR 144 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1yhu h GLU 145 N 5.05 0.00 0.00 1.09 4.39 -1.66 -3.41 114.58 120.04 1yhu h GLU 145 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1yhu h GLU 145 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1yhu h GLU 145 CO 1.12 0.00 -0.90 -0.35 -1.16 0.00 0.00 179.01 177.72 1yhu n PRO 146 N -4.54 0.05 -1.50 2.33 -0.04 -1.26 -4.99 135.00 125.04 1yhu n PRO 146 Ca -0.02 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1yhu n PRO 146 Cb 0.06 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1yhu n PRO 146 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yhu n LEU 147 N -1.56 0.73 0.00 1.53 4.77 -1.26 -4.96 117.00 116.24 1yhu n LEU 147 Ca 0.04 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 57.01 1yhu n LEU 147 Cb 0.35 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1yhu n LEU 147 CO 0.41 -2.39 0.00 -2.65 -1.33 0.00 0.00 177.39 171.43 1yhu n PRO 148 N 0.52 0.00 0.00 3.23 -0.02 -1.26 -4.54 135.00 132.93 1yhu n PRO 148 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1yhu n PRO 148 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 1yhu n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48