#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4a h GLN 5 N 0.00 0.71 0.26 1.61 5.75 -2.06 0.23 115.11 121.61 1b4a h GLN 5 Ca 0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1b4a h GLN 5 Cb 0.00 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.39 1b4a h GLN 5 CO 0.00 0.47 -0.12 -0.09 -2.65 0.00 0.00 178.83 176.44 1b4a h ARG 6 N 0.74 -0.33 -0.07 1.69 2.43 -2.04 -1.69 114.38 115.10 1b4a h ARG 6 Ca 0.54 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.71 1b4a h ARG 6 Cb 0.87 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1b4a h ARG 6 CO -0.31 -0.13 -0.05 0.45 -1.51 0.00 0.00 179.97 178.42 1b4a h HIS 7 N -0.48 0.10 -0.12 2.20 3.86 -1.78 -1.84 115.15 117.10 1b4a h HIS 7 Ca -0.04 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.01 1b4a h HIS 7 Cb 0.36 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1b4a h HIS 7 CO -0.02 0.16 -0.63 0.82 0.86 0.00 0.00 177.93 179.12 1b4a h ILE 8 N 0.10 1.35 -0.16 2.45 1.08 -0.35 -2.75 117.51 119.23 1b4a h ILE 8 Ca 0.02 -1.96 -0.14 0.00 -0.39 0.00 0.00 64.86 62.40 1b4a h ILE 8 Cb 0.17 1.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1b4a h ILE 8 CO 0.01 0.59 -0.51 0.50 -0.69 0.00 0.00 178.15 178.06 1b4a h LYS 9 N 0.32 0.42 -0.28 2.37 3.11 -0.56 -2.85 116.57 119.10 1b4a h LYS 9 Ca -0.01 -0.25 -0.08 0.00 -2.81 0.00 0.00 60.65 57.51 1b4a h LYS 9 Cb 1.17 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.41 1b4a h LYS 9 CO 0.11 0.83 -0.15 0.82 -2.81 0.00 0.00 179.45 178.25 1b4a h ILE 10 N 0.33 1.24 -0.42 2.00 2.04 -1.26 -0.93 117.51 120.52 1b4a h ILE 10 Ca 0.01 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1b4a h ILE 10 Cb 1.01 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1b4a h ILE 10 CO 0.09 0.35 0.21 0.03 0.00 0.00 0.00 178.15 178.83 1b4a h ARG 11 N 0.44 0.59 0.06 2.37 3.08 -1.25 -1.25 114.38 118.43 1b4a h ARG 11 Ca 0.08 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b4a h ARG 11 Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1b4a h ARG 11 CO 0.03 0.50 -0.03 1.49 -1.07 0.00 0.00 179.97 180.89 1b4a h GLU 12 N 0.54 -0.08 0.25 0.04 4.81 -1.37 -2.64 114.58 116.13 1b4a h GLU 12 Ca 0.14 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1b4a h GLU 12 Cb 0.09 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1b4a h GLU 12 CO -0.02 0.12 -0.35 0.82 -0.73 0.00 0.00 179.01 178.85 1b4a h ILE 13 N -0.26 0.28 -0.08 2.32 2.04 -1.04 0.44 117.51 121.21 1b4a h ILE 13 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1b4a h ILE 13 Cb 0.23 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1b4a h ILE 13 CO 0.01 0.00 0.01 0.40 0.00 0.00 0.00 178.15 178.57 1b4a h ILE 14 N -0.66 1.05 0.09 -0.67 2.04 -1.29 -1.31 117.51 116.76 1b4a h ILE 14 Ca 0.00 -0.19 -0.32 0.00 1.00 0.00 0.00 64.86 65.35 1b4a h ILE 14 Cb 0.63 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1b4a h ILE 14 CO -0.12 0.06 -1.76 0.24 0.00 0.00 0.00 178.15 176.57 1b4a h MET 15 N 0.12 0.18 0.00 2.37 2.86 -1.20 -3.37 114.93 115.89 1b4a h MET 15 Ca 0.03 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1b4a h MET 15 Cb 0.07 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1b4a h MET 15 CO -0.00 0.96 -0.25 0.43 1.06 0.00 0.00 176.91 179.11 1b4a n SER 16 N -3.34 0.31 -3.38 1.22 7.64 0.15 -4.93 113.62 111.28 1b4a n SER 16 Ca -0.22 0.17 -0.18 0.00 1.01 0.00 0.00 58.87 59.65 1b4a n SER 16 Cb 1.05 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 64.01 1b4a n SER 16 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1b4a s ASN 17 N -3.19 1.39 -0.86 6.43 0.01 -0.51 -5.04 114.94 113.19 1b4a s ASN 17 Ca 0.12 -1.67 -0.02 0.00 -0.71 0.00 0.00 52.86 50.59 1b4a s ASN 17 Cb 0.18 0.57 0.21 0.00 0.41 0.00 0.00 41.25 42.62 1b4a s ASN 17 CO 0.62 -1.11 0.73 -1.81 -1.51 0.00 0.00 177.10 174.02 1b4a s ASP 18 N -3.33 5.86 -0.37 -1.22 -0.00 -1.26 -4.69 116.67 111.67 1b4a s ASP 18 Ca 0.38 -3.64 -0.29 0.00 -0.00 0.00 0.00 52.55 49.01 1b4a s ASP 18 Cb 0.02 -1.89 0.02 0.00 -0.00 0.00 0.00 42.92 41.07 1b4a s ASP 18 CO 0.25 -0.20 1.14 -0.63 -0.00 0.00 0.00 175.17 175.73 1b4a s ILE 19 N -1.22 4.34 -0.05 0.77 1.09 -1.26 -4.89 121.20 119.99 1b4a s ILE 19 Ca 0.26 1.48 0.22 0.00 -1.10 0.00 0.00 60.65 61.52 1b4a s ILE 19 Cb -0.08 -4.44 -0.33 0.00 -1.06 0.00 0.00 42.46 36.54 1b4a s ILE 19 CO -0.12 -0.67 0.50 -1.84 -0.10 0.00 0.00 174.94 172.72 1b4a n GLU 20 N 7.29 0.65 -4.19 2.79 0.28 -1.26 -0.24 120.64 125.97 1b4a n GLU 20 Ca 0.12 -0.19 -0.12 0.00 -0.16 0.00 0.00 57.16 56.81 1b4a n GLU 20 Cb 0.48 -1.53 -0.10 0.00 1.43 0.00 0.00 31.44 31.72 1b4a n GLU 20 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1b4a s THR 21 N -3.51 0.85 0.24 3.84 -4.23 -1.26 -4.85 115.64 106.72 1b4a s THR 21 Ca -0.08 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1b4a s THR 21 Cb 0.14 -1.62 0.08 0.00 1.34 0.00 0.00 72.50 72.44 1b4a s THR 21 CO 0.91 -0.76 1.70 -0.61 -0.54 0.00 0.00 174.62 175.31 1b4a h GLN 22 N 3.10 0.75 -0.60 3.99 4.15 -2.00 -2.45 115.11 122.06 1b4a h GLN 22 Ca -0.36 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 58.78 1b4a h GLN 22 Cb 1.18 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 1b4a h GLN 22 CO 0.61 0.84 0.23 -0.44 -1.93 0.00 0.00 178.83 178.14 1b4a h ASP 23 N 0.68 0.80 -0.55 -0.69 3.32 -1.98 0.56 116.42 118.55 1b4a h ASP 23 Ca 0.11 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1b4a h ASP 23 Cb 0.59 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1b4a h ASP 23 CO 0.04 0.72 0.18 -0.08 -1.72 0.00 0.00 179.24 178.38 1b4a h GLU 24 N 0.86 0.90 -0.23 3.56 4.81 -1.87 0.13 114.58 122.74 1b4a h GLU 24 Ca 0.20 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1b4a h GLU 24 Cb 0.18 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1b4a h GLU 24 CO -0.02 0.78 -0.38 1.25 -0.73 0.00 0.00 179.01 179.91 1b4a h LEU 25 N 0.87 0.74 -0.71 1.64 5.85 -0.98 -1.81 115.31 120.90 1b4a h LEU 25 Ca 0.20 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1b4a h LEU 25 Cb 0.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1b4a h LEU 25 CO -0.01 1.12 0.31 0.58 -0.34 0.00 0.00 178.44 180.10 1b4a h VAL 26 N 0.37 1.24 -0.19 1.05 2.07 -0.50 -1.20 116.25 119.09 1b4a h VAL 26 Ca 0.02 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1b4a h VAL 26 Cb 0.98 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1b4a h VAL 26 CO 0.09 0.30 0.06 0.44 0.02 0.00 0.00 177.57 178.48 1b4a h ASP 27 N 1.01 0.28 0.19 0.57 3.45 -0.71 -1.68 116.42 119.53 1b4a h ASP 27 Ca 0.24 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 57.44 1b4a h ASP 27 Cb 0.18 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1b4a h ASP 27 CO -0.02 0.41 -0.24 0.03 -1.57 0.00 0.00 179.24 177.85 1b4a h ARG 28 N 0.14 0.08 -0.21 3.56 3.08 -1.12 -1.81 114.38 118.10 1b4a h ARG 28 Ca 0.06 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.90 1b4a h ARG 28 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1b4a h ARG 28 CO -0.00 0.32 -0.63 -0.07 -1.07 0.00 0.00 179.97 178.52 1b4a h LEU 29 N 0.08 0.84 -0.70 3.04 3.38 -1.00 -2.34 115.31 118.60 1b4a h LEU 29 Ca 0.01 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 1b4a h LEU 29 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1b4a h LEU 29 CO 0.03 1.26 -0.41 0.03 0.09 0.00 0.00 178.44 179.44 1b4a h ARG 30 N 0.54 0.52 0.00 1.13 3.08 -0.97 -0.47 114.38 118.21 1b4a h ARG 30 Ca -0.01 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 1b4a h ARG 30 Cb 1.23 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1b4a h ARG 30 CO 0.13 0.84 -0.44 1.49 -1.07 0.00 0.00 179.97 180.92 1b4a h GLU 31 N 0.43 0.00 0.00 0.04 4.57 -1.31 -2.13 114.58 116.17 1b4a h GLU 31 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1b4a h GLU 31 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1b4a h GLU 31 CO 0.08 0.44 0.00 0.00 -1.18 0.00 0.00 179.01 178.35 1b4a n ALA 32 N -2.41 2.46 -0.03 2.92 0.00 -0.89 -4.86 120.51 117.70 1b4a n ALA 32 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1b4a n ALA 32 Cb 0.49 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1b4a n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4a n GLY 33 N 0.88 0.98 3.44 0.00 0.00 -0.80 -5.07 105.19 104.61 1b4a n GLY 33 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1b4a n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b4a s PHE 34 N -2.00 3.24 -0.99 1.61 0.40 -0.21 -5.00 117.98 115.02 1b4a s PHE 34 Ca 0.00 -0.68 -0.21 0.00 -0.60 0.00 0.00 56.93 55.43 1b4a s PHE 34 Cb 0.00 -2.55 0.08 0.00 0.51 0.00 0.00 43.02 41.06 1b4a s PHE 34 CO 0.00 -0.60 1.34 1.21 0.70 0.00 0.00 175.22 177.87 1b4a s ASN 35 N 1.65 6.55 0.24 1.36 3.04 -1.26 -3.24 114.94 123.28 1b4a s ASN 35 Ca 0.04 -1.68 0.09 0.00 0.04 0.00 0.00 52.86 51.36 1b4a s ASN 35 Cb -0.19 -2.51 -0.04 0.00 -1.54 0.00 0.00 41.25 36.97 1b4a s ASN 35 CO 0.09 -1.35 -0.04 0.68 -3.04 0.00 0.00 177.10 173.45 1b4a s VAL 36 N 4.15 3.36 0.15 -5.21 -7.23 -1.26 -5.11 120.40 109.25 1b4a s VAL 36 Ca 0.41 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1b4a s VAL 36 Cb -0.02 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1b4a s VAL 36 CO -0.10 -0.29 0.29 0.42 -0.31 0.00 0.00 175.10 175.11 1b4a s THR 37 N -2.13 5.32 0.56 5.32 -4.23 -1.26 -4.99 115.64 114.22 1b4a s THR 37 Ca 0.29 -0.70 0.31 0.00 -1.18 0.00 0.00 61.69 60.41 1b4a s THR 37 Cb -0.07 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.38 1b4a s THR 37 CO 0.18 -0.10 2.23 1.56 -0.54 0.00 0.00 174.62 177.95 1b4a h GLN 38 N 2.09 0.00 -0.14 3.99 7.50 -1.99 -2.24 115.11 124.31 1b4a h GLN 38 Ca -0.49 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 58.57 1b4a h GLN 38 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.73 1b4a h GLN 38 CO 0.68 0.02 -0.29 0.00 -1.50 0.00 0.00 178.83 177.74 1b4a h ALA 39 N 1.98 0.23 -0.46 3.87 0.00 -1.99 -1.90 119.26 120.98 1b4a h ALA 39 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1b4a h ALA 39 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1b4a h ALA 39 CO 0.00 0.25 0.24 1.15 0.00 0.00 0.00 179.25 180.89 1b4a h THR 40 N 0.06 1.17 -0.59 0.00 2.02 -1.82 -1.69 112.91 112.07 1b4a h THR 40 Ca 0.00 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1b4a h THR 40 Cb 0.89 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1b4a h THR 40 CO 0.07 0.19 0.20 0.58 0.37 0.00 0.00 175.52 176.92 1b4a h VAL 41 N 0.61 1.22 -0.61 3.16 2.07 -1.49 0.02 116.25 121.23 1b4a h VAL 41 Ca 0.16 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1b4a h VAL 41 Cb 0.08 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1b4a h VAL 41 CO -0.02 0.29 0.19 -1.28 0.02 0.00 0.00 177.57 176.76 1b4a h SER 42 N 0.86 0.86 -0.16 0.57 0.87 -0.89 -1.31 113.55 114.34 1b4a h SER 42 Ca 0.20 -0.14 -0.20 0.00 -1.23 0.00 0.00 61.79 60.42 1b4a h SER 42 Cb 0.22 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1b4a h SER 42 CO -0.01 0.81 -0.64 -0.09 -0.53 0.00 0.00 176.83 176.36 1b4a h ARG 43 N 0.89 0.78 -0.56 2.24 2.43 -0.67 -3.09 114.38 116.40 1b4a h ARG 43 Ca 0.20 -0.55 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1b4a h ARG 43 Cb 0.26 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1b4a h ARG 43 CO -0.01 1.17 0.29 -0.44 -1.51 0.00 0.00 179.97 179.48 1b4a h ASP 44 N 0.57 0.43 -0.86 -3.80 5.19 -0.54 0.16 116.42 117.57 1b4a h ASP 44 Ca -0.01 0.03 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 1b4a h ASP 44 Cb 1.25 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 40.63 1b4a h ASP 44 CO 0.13 0.29 0.51 0.40 -3.12 0.00 0.00 179.24 177.45 1b4a h ILE 45 N 0.56 0.92 -0.12 0.35 1.08 -1.22 0.11 117.51 119.19 1b4a h ILE 45 Ca 0.25 -0.29 -0.07 0.00 -0.39 0.00 0.00 64.86 64.35 1b4a h ILE 45 Cb 0.14 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.89 1b4a h ILE 45 CO -0.16 0.15 -0.21 0.50 -0.69 0.00 0.00 178.15 177.74 1b4a h LYS 46 N 0.85 0.35 -0.48 2.37 3.64 -1.19 -1.74 116.57 120.36 1b4a h LYS 46 Ca 0.42 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1b4a h LYS 46 Cb 0.38 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1b4a h LYS 46 CO -0.25 0.81 0.29 0.93 -2.27 0.00 0.00 179.45 178.97 1b4a h GLU 47 N -0.06 0.56 -0.00 1.90 5.08 -0.15 -1.33 114.58 120.57 1b4a h GLU 47 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1b4a h GLU 47 Cb 0.79 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1b4a h GLU 47 CO 0.05 0.37 -0.00 -1.33 -1.00 0.00 0.00 179.01 177.10 1b4a n MET 48 N -4.81 1.15 -4.01 2.33 2.81 0.32 -4.92 117.12 109.99 1b4a n MET 48 Ca 0.03 -0.23 -0.29 0.00 -1.81 0.00 0.00 57.70 55.41 1b4a n MET 48 Cb 0.07 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.07 1b4a n MET 48 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b4a n GLN 49 N -0.73 -3.61 -1.27 0.03 10.64 -0.50 -4.47 117.38 117.46 1b4a n GLN 49 Ca 0.23 0.43 -0.33 0.00 -1.83 0.00 0.00 57.00 55.49 1b4a n GLN 49 Cb 0.17 -4.84 0.11 0.00 -0.86 0.00 0.00 30.24 24.82 1b4a n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1b4a s LEU 50 N -7.08 3.20 0.28 2.61 1.02 -0.71 -3.94 118.68 114.06 1b4a s LEU 50 Ca 0.29 2.27 0.05 0.00 0.02 0.00 0.00 54.13 56.77 1b4a s LEU 50 Cb -0.16 -4.58 -0.06 0.00 0.02 0.00 0.00 46.19 41.42 1b4a s LEU 50 CO 0.89 -2.41 -0.01 0.68 0.02 0.00 0.00 176.35 175.52 1b4a s VAL 51 N -2.20 1.39 -0.29 -1.59 -7.23 0.16 -4.93 120.40 105.70 1b4a s VAL 51 Ca 0.72 -2.07 -0.07 0.00 -1.81 0.00 0.00 61.98 58.75 1b4a s VAL 51 Cb -0.27 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1b4a s VAL 51 CO 0.49 -0.22 0.07 -0.54 -0.31 0.00 0.00 175.10 174.59 1b4a s LYS 52 N -3.80 3.06 -0.00 4.82 -0.14 -1.26 0.41 119.74 122.83 1b4a s LYS 52 Ca 0.31 -0.87 0.05 0.00 -1.36 0.00 0.00 55.97 54.09 1b4a s LYS 52 Cb 0.06 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.82 1b4a s LYS 52 CO 0.12 -0.45 -0.13 0.14 -0.76 0.00 0.00 175.35 174.28 1b4a s VAL 53 N 1.49 3.20 0.10 3.17 -7.23 -0.73 -4.90 120.40 115.50 1b4a s VAL 53 Ca 0.02 -0.89 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 1b4a s VAL 53 Cb -0.17 -2.34 -0.08 0.00 0.56 0.00 0.00 36.38 34.35 1b4a s VAL 53 CO 0.02 0.44 1.55 -2.16 -0.31 0.00 0.00 175.10 174.64 1b4a s PRO 54 N -1.22 4.24 0.00 4.82 0.04 -1.26 -1.09 135.00 140.53 1b4a s PRO 54 Ca 0.15 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1b4a s PRO 54 Cb -0.11 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1b4a s PRO 54 CO 0.05 -0.62 0.00 -1.33 0.04 0.00 0.00 177.00 175.13 1b4a n MET 55 N 4.79 1.12 0.14 4.56 2.81 -0.11 -4.92 117.12 125.52 1b4a n MET 55 Ca 0.14 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.89 1b4a n MET 55 Cb 0.41 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.84 1b4a n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b4a h ALA 56 N -1.50 -0.33 -0.60 3.04 0.00 -1.95 -3.31 119.26 114.61 1b4a h ALA 56 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1b4a h ALA 56 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1b4a h ALA 56 CO 0.00 -0.60 0.39 -2.95 0.00 0.00 0.00 179.25 176.09 1b4a h ASN 57 N -0.50 0.70 0.00 0.00 -0.00 -2.02 -3.46 115.58 110.30 1b4a h ASN 57 Ca -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.24 1b4a h ASN 57 Cb 0.37 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1b4a h ASN 57 CO 0.05 0.52 0.00 0.61 -0.00 0.00 0.00 177.43 178.61 1b4a n GLY 58 N -1.22 0.36 3.87 9.14 0.00 -1.25 -5.12 105.19 110.97 1b4a n GLY 58 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1b4a n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b4a s ARG 59 N 0.00 3.42 -0.10 1.61 0.52 -1.26 -4.78 118.95 118.36 1b4a s ARG 59 Ca 0.00 0.68 -0.01 0.00 -0.52 0.00 0.00 55.73 55.88 1b4a s ARG 59 Cb 0.00 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 1b4a s ARG 59 CO 0.00 -0.68 -0.05 0.71 0.02 0.00 0.00 175.30 175.30 1b4a s TYR 60 N -3.22 2.99 0.29 -0.53 1.51 -1.26 -0.93 117.35 116.20 1b4a s TYR 60 Ca 0.56 -0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.56 1b4a s TYR 60 Cb -0.11 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 1b4a s TYR 60 CO 0.53 0.22 0.18 0.36 -1.11 0.00 0.00 175.55 175.73 1b4a n LYS 61 N 2.66 1.11 -3.92 -0.62 2.85 -0.25 -4.46 118.16 115.54 1b4a n LYS 61 Ca -0.18 -1.87 -0.27 0.00 -1.05 0.00 0.00 58.31 54.94 1b4a n LYS 61 Cb 0.53 0.26 -0.03 0.00 -0.65 0.00 0.00 35.03 35.14 1b4a n LYS 61 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1b4a s TYR 62 N -1.56 3.49 0.18 5.58 1.51 0.67 -1.78 117.35 125.45 1b4a s TYR 62 Ca 0.13 0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 56.25 1b4a s TYR 62 Cb -0.01 -1.71 -0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1b4a s TYR 62 CO 0.09 0.52 0.35 0.45 -1.11 0.00 0.00 175.55 175.85 1b4a s SER 63 N -3.07 -0.03 0.41 2.29 0.15 0.17 -4.78 113.70 108.84 1b4a s SER 63 Ca 0.35 -0.82 0.06 0.00 0.70 0.00 0.00 55.95 56.25 1b4a s SER 63 Cb -0.11 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1b4a s SER 63 CO 0.28 -0.96 0.57 -0.76 1.20 0.00 0.00 173.24 173.58 1b4a s LEU 64 N -2.96 3.71 0.09 3.45 1.02 -1.26 0.35 118.68 123.08 1b4a s LEU 64 Ca 0.17 -0.25 0.11 0.00 0.02 0.00 0.00 54.13 54.19 1b4a s LEU 64 Cb 0.02 -2.75 0.52 0.00 0.02 0.00 0.00 46.19 44.00 1b4a s LEU 64 CO 0.01 -0.70 1.35 -0.81 0.02 0.00 0.00 176.35 176.22 1b4a n PRO 65 N -1.86 0.05 -0.09 1.29 -0.04 -1.25 -1.65 135.00 131.45 1b4a n PRO 65 Ca 0.05 0.44 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1b4a n PRO 65 Cb 0.59 -1.63 0.34 0.00 -0.04 0.00 0.00 33.50 32.76 1b4a n PRO 65 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1b4a n SER 66 N -1.73 1.44 -4.63 3.54 3.41 -1.26 -4.88 113.62 109.51 1b4a n SER 66 Ca 0.01 -1.74 -0.43 0.00 -0.26 0.00 0.00 58.87 56.45 1b4a n SER 66 Cb 0.09 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 1b4a n SER 66 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b4a s ASP 67 N -1.44 6.60 0.00 4.04 -1.08 -0.66 -4.84 116.67 119.30 1b4a s ASP 67 Ca 0.29 1.29 0.02 0.00 -0.52 0.00 0.00 52.55 53.62 1b4a s ASP 67 Cb 0.15 -2.54 0.10 0.00 -1.46 0.00 0.00 42.92 39.17 1b4a s ASP 67 CO 0.23 -1.13 0.58 0.00 0.52 0.00 0.00 175.17 175.38 1b4a n GLN 68 N 7.40 0.49 -0.04 4.34 6.02 -1.26 -3.78 117.38 130.55 1b4a n GLN 68 Ca 0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.13 1b4a n GLN 68 Cb 0.46 -1.05 -0.01 0.00 1.02 0.00 0.00 30.24 30.66 1b4a n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b4a h ARG 69 N 0.00 0.00 -6.26 -1.09 3.08 -1.98 -3.48 114.38 104.66 1b4a h ARG 69 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1b4a h ARG 69 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1b4a h ARG 69 CO 0.00 0.00 -0.38 0.12 -1.07 0.00 0.00 179.97 178.64 1b4a s PHE 70 N -1.65 2.90 -1.40 3.04 5.36 -1.25 -4.74 117.98 120.24 1b4a s PHE 70 Ca -0.06 -0.34 -0.06 0.00 -0.96 0.00 0.00 56.93 55.52 1b4a s PHE 70 Cb 0.01 -2.01 0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1b4a s PHE 70 CO 0.09 -0.01 0.47 0.09 -1.46 0.00 0.00 175.22 174.39 1b4a n ASN 71 N -1.54 -4.88 -0.00 6.13 4.13 -1.26 -4.90 115.26 112.94 1b4a n ASN 71 Ca 0.01 -0.26 0.01 0.00 1.68 0.00 0.00 54.58 56.02 1b4a n ASN 71 Cb 0.60 -4.00 0.34 0.00 -1.54 0.00 0.00 39.78 35.18 1b4a n ASN 71 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1b4a h PRO 72 N -1.00 0.53 -0.32 3.52 0.13 -1.91 -2.62 132.00 130.33 1b4a h PRO 72 Ca -0.46 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1b4a h PRO 72 Cb 1.32 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1b4a h PRO 72 CO 0.53 0.48 0.10 1.25 -0.23 0.00 0.00 178.00 180.13 1b4a h LEU 73 N 0.53 0.47 -0.48 1.56 6.46 -1.92 -0.44 115.31 121.49 1b4a h LEU 73 Ca 0.13 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1b4a h LEU 73 Cb 0.18 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1b4a h LEU 73 CO -0.01 0.55 0.29 1.56 -0.62 0.00 0.00 178.44 180.22 1b4a h GLN 74 N 0.36 0.65 -0.71 1.25 4.20 -1.88 -1.17 115.11 117.82 1b4a h GLN 74 Ca 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1b4a h GLN 74 Cb 0.25 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1b4a h GLN 74 CO -0.00 0.47 0.36 0.87 -0.67 0.00 0.00 178.83 179.86 1b4a h LYS 75 N 0.64 0.99 -0.17 1.46 1.57 -1.28 -1.47 116.57 118.31 1b4a h LYS 75 Ca 0.17 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1b4a h LYS 75 Cb -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1b4a h LYS 75 CO -0.03 0.74 0.05 1.25 -0.57 0.00 0.00 179.45 180.90 1b4a h LEU 76 N 0.99 0.25 -0.37 2.94 6.46 -0.57 0.38 115.31 125.40 1b4a h LEU 76 Ca 0.25 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 57.86 1b4a h LEU 76 Cb 0.06 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 1b4a h LEU 76 CO -0.04 0.39 0.07 0.11 -0.62 0.00 0.00 178.44 178.35 1b4a h LYS 77 N 0.10 0.19 -0.38 1.25 1.57 -0.82 0.13 116.57 118.62 1b4a h LYS 77 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1b4a h LYS 77 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1b4a h LYS 77 CO -0.00 0.12 0.21 0.00 -0.57 0.00 0.00 179.45 179.21 1b4a h ARG 78 N 0.19 0.53 -0.22 3.15 -0.00 -1.12 -2.45 114.38 114.47 1b4a h ARG 78 Ca 0.17 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.55 1b4a h ARG 78 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 1b4a h ARG 78 CO -0.23 0.44 -0.02 0.00 0.00 0.00 0.00 179.97 180.15 1b4a h ALA 79 N 1.06 0.30 -0.14 0.04 0.00 -0.46 -3.03 119.26 117.02 1b4a h ALA 79 Ca 0.13 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1b4a h ALA 79 Cb 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1b4a h ALA 79 CO -0.02 0.05 -0.07 1.25 0.00 0.00 0.00 179.25 180.46 1b4a h LEU 80 N 0.15 -0.23 -2.86 0.00 5.85 -0.70 0.36 115.31 117.87 1b4a h LEU 80 Ca 0.06 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1b4a h LEU 80 Cb 0.45 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1b4a h LEU 80 CO 0.02 -0.09 -0.00 -0.37 -0.34 0.00 0.00 178.44 177.65 1b4a h VAL 81 N -0.05 0.13 0.06 1.05 -1.51 -1.46 0.11 116.25 114.57 1b4a h VAL 81 Ca 0.08 -0.01 -0.34 0.00 -1.23 0.00 0.00 66.70 65.21 1b4a h VAL 81 Cb 0.17 1.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.30 1b4a h VAL 81 CO -0.18 0.00 -1.89 0.47 -1.23 0.00 0.00 177.57 174.74 1b4a n ASP 82 N -3.27 2.01 -0.00 4.19 8.00 -0.49 -4.68 116.55 122.31 1b4a n ASP 82 Ca -0.03 0.24 0.08 0.00 0.71 0.00 0.00 54.79 55.79 1b4a n ASP 82 Cb 0.07 -0.83 -0.11 0.00 -0.02 0.00 0.00 41.12 40.23 1b4a n ASP 82 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1b4a n VAL 83 N -3.83 0.00 -1.64 2.53 0.24 -0.01 -4.93 118.33 110.69 1b4a n VAL 83 Ca -0.36 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.26 1b4a n VAL 83 Cb 0.91 0.53 0.01 0.00 -1.47 0.00 0.00 33.84 33.82 1b4a n VAL 83 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1b4a n PHE 84 N -1.74 1.54 0.07 6.34 7.35 0.36 -1.12 117.46 130.26 1b4a n PHE 84 Ca -0.00 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 1b4a n PHE 84 Cb 0.34 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 37.88 1b4a n PHE 84 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1b4a n ILE 85 N -0.26 0.40 -3.53 -2.13 2.08 -0.54 -4.80 119.36 110.59 1b4a n ILE 85 Ca 0.08 0.13 -0.13 0.00 0.56 0.00 0.00 62.75 63.40 1b4a n ILE 85 Cb 0.38 -1.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.24 1b4a n ILE 85 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1b4a s LYS 86 N -2.00 1.14 -0.03 0.38 -2.85 -1.12 -5.01 119.74 110.24 1b4a s LYS 86 Ca 0.00 -0.42 0.01 0.00 -1.00 0.00 0.00 55.97 54.56 1b4a s LYS 86 Cb 0.00 0.52 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1b4a s LYS 86 CO 0.00 -0.45 -0.02 -1.17 0.10 0.00 0.00 175.35 173.81 1b4a s LEU 87 N -2.44 1.27 0.26 2.77 2.96 -1.26 -0.39 118.68 121.85 1b4a s LEU 87 Ca -0.01 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1b4a s LEU 87 Cb -0.00 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.34 1b4a s LEU 87 CO -0.08 -0.08 0.14 -1.81 -1.32 0.00 0.00 176.35 173.20 1b4a s ASP 88 N 0.92 1.05 0.00 3.68 1.11 -0.37 -5.00 116.67 118.07 1b4a s ASP 88 Ca -0.10 -1.46 0.00 0.00 0.18 0.00 0.00 52.55 51.16 1b4a s ASP 88 Cb -0.14 0.32 0.00 0.00 1.07 0.00 0.00 42.92 44.17 1b4a s ASP 88 CO -0.01 -0.83 0.00 0.61 1.18 0.00 0.00 175.17 176.12 1b4a n GLY 89 N -0.46 0.40 3.42 0.21 0.00 -1.26 -0.04 105.19 107.46 1b4a n GLY 89 Ca 0.01 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 1b4a n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b4a s THR 90 N -2.00 -0.01 0.00 2.61 -1.32 -0.77 -5.01 115.64 109.14 1b4a s THR 90 Ca 0.00 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1b4a s THR 90 Cb 0.00 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1b4a s THR 90 CO 0.00 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1b4a n GLY 91 N 3.80 3.70 1.69 6.08 0.00 -1.26 -1.55 105.19 117.65 1b4a n GLY 91 Ca -0.19 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1b4a n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b4a n ASN 92 N 6.84 5.24 -4.57 1.61 6.94 -1.26 -4.34 115.26 125.72 1b4a n ASN 92 Ca 0.00 -2.77 -0.32 0.00 -0.02 0.00 0.00 54.58 51.47 1b4a n ASN 92 Cb 0.00 -0.63 -0.11 0.00 -2.36 0.00 0.00 39.78 36.68 1b4a n ASN 92 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b4a s LEU 93 N -2.44 3.06 -0.06 -4.53 1.02 -0.60 -1.34 118.68 113.80 1b4a s LEU 93 Ca 0.52 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.51 1b4a s LEU 93 Cb 0.38 -1.75 0.02 0.00 0.02 0.00 0.00 46.19 44.85 1b4a s LEU 93 CO 0.18 0.29 -0.10 -0.76 0.02 0.00 0.00 176.35 175.98 1b4a s LEU 94 N -1.36 1.55 -0.28 1.79 1.02 -0.56 -1.84 118.68 118.99 1b4a s LEU 94 Ca 0.16 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 54.02 1b4a s LEU 94 Cb -0.11 -0.72 0.03 0.00 0.02 0.00 0.00 46.19 45.40 1b4a s LEU 94 CO 0.07 0.00 0.01 -0.69 0.02 0.00 0.00 176.35 175.76 1b4a s VAL 95 N 0.77 3.33 -0.21 -1.59 1.01 0.94 -0.50 120.40 124.16 1b4a s VAL 95 Ca -0.13 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 1b4a s VAL 95 Cb -0.15 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1b4a s VAL 95 CO 0.02 0.05 0.03 -0.22 0.00 0.00 0.00 175.10 174.98 1b4a s LEU 96 N 1.37 3.43 -0.14 3.92 2.96 -0.05 -1.23 118.68 128.93 1b4a s LEU 96 Ca -0.01 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1b4a s LEU 96 Cb -0.18 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1b4a s LEU 96 CO -0.01 0.07 0.09 -0.60 -1.32 0.00 0.00 176.35 174.58 1b4a s ARG 97 N 0.98 3.62 0.37 1.98 6.06 0.48 -0.70 118.95 131.74 1b4a s ARG 97 Ca 0.03 -0.25 0.04 0.00 -2.50 0.00 0.00 55.73 53.04 1b4a s ARG 97 Cb -0.14 -3.16 -0.03 0.00 0.06 0.00 0.00 34.95 31.67 1b4a s ARG 97 CO 0.02 0.55 0.13 0.95 -2.50 0.00 0.00 175.30 174.46 1b4a s THR 98 N -0.41 0.61 0.69 4.11 -4.23 -0.29 -1.46 115.64 114.65 1b4a s THR 98 Ca 0.10 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 1b4a s THR 98 Cb -0.12 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.27 1b4a s THR 98 CO 0.02 0.00 1.26 -0.76 -0.54 0.00 0.00 174.62 174.59 1b4a s LEU 99 N -3.52 3.46 0.12 4.79 1.43 -0.28 -4.78 118.68 119.91 1b4a s LEU 99 Ca 0.29 2.52 -0.35 0.00 -1.03 0.00 0.00 54.13 55.56 1b4a s LEU 99 Cb 0.04 -4.61 -0.16 0.00 0.03 0.00 0.00 46.19 41.49 1b4a s LEU 99 CO 0.16 -2.13 1.33 -2.65 0.23 0.00 0.00 176.35 173.28 1b4a n PRO 100 N -2.26 1.31 -1.68 1.29 -0.02 -1.26 -2.36 135.00 130.02 1b4a n PRO 100 Ca 0.15 0.47 -0.08 0.00 -2.02 0.00 0.00 63.50 62.02 1b4a n PRO 100 Cb 0.49 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1b4a n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b4a n GLY 101 N 2.49 0.55 0.03 -1.23 0.00 -0.52 -4.91 105.19 101.61 1b4a n GLY 101 Ca 0.17 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.61 1b4a n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4a n ASN 102 N 0.51 0.40 -0.12 1.61 3.02 -1.00 -4.73 115.26 114.96 1b4a n ASN 102 Ca -0.09 -0.70 -0.06 0.00 -0.03 0.00 0.00 54.58 53.70 1b4a n ASN 102 Cb 0.42 0.73 0.02 0.00 -0.61 0.00 0.00 39.78 40.35 1b4a n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4a h ALA 103 N 0.38 0.47 -0.24 5.41 0.00 -1.72 -2.92 119.26 120.63 1b4a h ALA 103 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1b4a h ALA 103 Cb 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1b4a h ALA 103 CO 0.00 -0.23 -0.01 1.25 0.00 0.00 0.00 179.25 180.26 1b4a h HIS 104 N 0.33 -0.04 -0.40 0.00 -0.00 -1.80 -1.53 115.15 111.71 1b4a h HIS 104 Ca 0.18 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.65 1b4a h HIS 104 Cb 0.13 0.05 -0.09 0.00 -0.00 0.00 0.00 27.41 27.51 1b4a h HIS 104 CO -0.13 -0.05 -0.25 0.00 -0.00 0.00 0.00 177.93 177.50 1b4a h ALA 105 N 1.21 -0.00 -0.88 5.26 0.00 -1.83 -0.70 119.26 122.31 1b4a h ALA 105 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1b4a h ALA 105 Cb 0.15 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1b4a h ALA 105 CO -0.21 -0.62 0.49 0.82 0.00 0.00 0.00 179.25 179.74 1b4a h ILE 106 N -0.18 1.25 -0.96 0.00 1.08 -1.37 -2.32 117.51 115.02 1b4a h ILE 106 Ca 0.19 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1b4a h ILE 106 Cb 0.48 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.23 1b4a h ILE 106 CO -0.51 0.28 0.62 1.23 -0.69 0.00 0.00 178.15 179.08 1b4a h GLY 107 N 1.22 1.36 0.87 5.37 0.00 -0.15 0.17 103.07 111.92 1b4a h GLY 107 Ca 0.31 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1b4a h GLY 107 CO -0.05 0.51 0.06 -2.08 0.00 0.00 0.00 176.54 174.98 1b4a h VAL 108 N 1.31 1.17 -0.32 4.60 2.07 -0.81 -0.78 116.25 123.48 1b4a h VAL 108 Ca 0.35 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1b4a h VAL 108 Cb -0.13 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1b4a h VAL 108 CO -0.07 0.16 0.17 -0.07 0.02 0.00 0.00 177.57 177.77 1b4a h LEU 109 N 0.11 0.25 -1.12 2.57 3.38 -1.00 0.04 115.31 119.54 1b4a h LEU 109 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1b4a h LEU 109 Cb 0.20 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1b4a h LEU 109 CO -0.00 0.19 0.34 -0.07 0.09 0.00 0.00 178.44 178.98 1b4a h LEU 110 N 0.34 0.86 -0.95 1.67 3.38 -0.88 -1.89 115.31 117.85 1b4a h LEU 110 Ca 0.13 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1b4a h LEU 110 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1b4a h LEU 110 CO -0.09 0.72 0.15 0.44 0.09 0.00 0.00 178.44 179.75 1b4a h ASP 111 N 0.96 0.86 0.34 -0.43 3.45 -0.06 -2.73 116.42 118.79 1b4a h ASP 111 Ca 0.24 -0.16 -0.10 0.00 0.43 0.00 0.00 57.03 57.44 1b4a h ASP 111 Cb 0.08 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1b4a h ASP 111 CO -0.03 0.83 -0.42 0.78 -1.57 0.00 0.00 179.24 178.83 1b4a h ASN 112 N 0.88 0.12 0.12 6.45 2.35 -0.34 -2.87 115.58 122.28 1b4a h ASN 112 Ca 0.19 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1b4a h ASN 112 Cb 0.31 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1b4a h ASN 112 CO -0.00 0.53 -0.13 -0.07 -1.65 0.00 0.00 177.43 176.12 1b4a h LEU 113 N 0.10 0.02 -1.57 1.61 3.38 -1.04 -3.47 115.31 114.33 1b4a h LEU 113 Ca 0.01 -0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.57 1b4a h LEU 113 Cb 0.79 -0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.61 1b4a h LEU 113 CO 0.06 0.15 -0.80 0.47 0.09 0.00 0.00 178.44 178.41 1b4a n ASP 114 N -4.38 -2.23 -4.75 -0.43 9.92 -1.09 -4.93 116.55 108.67 1b4a n ASP 114 Ca -0.02 -0.76 -0.40 0.00 -0.53 0.00 0.00 54.79 53.08 1b4a n ASP 114 Cb 0.20 -4.30 -0.05 0.00 -0.64 0.00 0.00 41.12 36.33 1b4a n ASP 114 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1b4a s TRP 115 N -3.53 3.88 0.48 1.24 0.51 -1.26 -4.94 118.94 115.32 1b4a s TRP 115 Ca 0.14 1.77 0.20 0.00 -2.12 0.00 0.00 56.10 56.10 1b4a s TRP 115 Cb -0.07 -2.94 1.29 0.00 -0.81 0.00 0.00 33.47 30.93 1b4a s TRP 115 CO 0.79 0.36 2.08 0.38 -0.51 0.00 0.00 176.95 180.06 1b4a h ASP 116 N 4.84 0.00 1.09 2.95 -0.00 -2.01 -2.22 116.42 121.07 1b4a h ASP 116 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.58 1b4a h ASP 116 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 1b4a h ASP 116 CO 0.69 0.11 0.00 -0.33 -0.00 0.00 0.00 179.24 179.71 1b4a h GLU 117 N 0.00 0.00 -4.70 4.15 3.07 -1.94 -3.42 114.58 111.74 1b4a h GLU 117 Ca -0.00 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.17 1b4a h GLU 117 Cb 0.22 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 27.89 1b4a h GLU 117 CO 0.01 0.00 -0.55 0.42 -1.40 0.00 0.00 179.01 177.50 1b4a s ILE 118 N -3.55 4.49 0.12 3.13 1.01 -0.84 -0.94 121.20 124.62 1b4a s ILE 118 Ca 0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 1b4a s ILE 118 Cb 0.09 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.06 1b4a s ILE 118 CO 0.53 -0.07 1.38 0.58 0.00 0.00 0.00 174.94 177.37 1b4a h VAL 119 N 5.79 1.27 0.00 2.92 2.07 -0.87 -3.45 116.25 123.99 1b4a h VAL 119 Ca -0.29 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1b4a h VAL 119 Cb 1.12 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1b4a h VAL 119 CO 0.63 0.58 0.00 0.61 0.02 0.00 0.00 177.57 179.42 1b4a n GLY 120 N 0.46 -0.54 2.94 2.17 0.00 -1.06 -5.03 105.19 104.12 1b4a n GLY 120 Ca -0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1b4a n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b4a s THR 121 N -2.00 0.00 -0.13 2.61 -4.23 -1.26 -0.97 115.64 109.66 1b4a s THR 121 Ca 0.00 -0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1b4a s THR 121 Cb 0.00 -0.10 0.01 0.00 1.34 0.00 0.00 72.50 73.75 1b4a s THR 121 CO 0.00 -0.02 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.25 1b4a s ILE 122 N -0.03 1.80 0.01 2.99 -1.09 -0.12 -4.97 121.20 119.79 1b4a s ILE 122 Ca -0.01 -0.81 0.04 0.00 -2.23 0.00 0.00 60.65 57.64 1b4a s ILE 122 Cb -0.01 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 1b4a s ILE 122 CO 0.00 0.50 -0.09 0.00 -1.23 0.00 0.00 174.94 174.12 1b4a n GLY 124 N 1.54 1.31 0.14 0.00 0.00 0.15 -4.92 105.19 103.40 1b4a n GLY 124 Ca -0.15 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1b4a n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4a n ASP 125 N 0.00 2.01 0.00 1.61 9.92 -1.26 -4.25 116.55 124.57 1b4a n ASP 125 Ca 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1b4a n ASP 125 Cb 0.00 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 1b4a n ASP 125 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1b4a n ASP 126 N -3.50 1.22 -4.18 -2.24 5.75 -1.26 -1.44 116.55 110.90 1b4a n ASP 126 Ca -0.47 -1.58 -0.21 0.00 -0.01 0.00 0.00 54.79 52.52 1b4a n ASP 126 Cb 0.95 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.91 1b4a n ASP 126 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1b4a s THR 127 N -0.58 1.27 -0.11 2.12 2.01 -1.26 -1.14 115.64 117.96 1b4a s THR 127 Ca 0.00 -1.13 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 1b4a s THR 127 Cb 0.00 -1.15 0.04 0.00 0.01 0.00 0.00 72.50 71.40 1b4a s THR 127 CO 0.00 0.00 0.01 0.00 -0.69 0.00 0.00 174.62 173.94 1b4a s LEU 129 N 1.94 4.12 -0.30 0.00 0.20 0.25 -0.87 118.68 124.01 1b4a s LEU 129 Ca 0.03 0.53 -0.06 0.00 0.69 0.00 0.00 54.13 55.32 1b4a s LEU 129 Cb -0.14 -2.58 0.02 0.00 -0.43 0.00 0.00 46.19 43.06 1b4a s LEU 129 CO -0.06 -0.15 0.08 -0.63 -0.29 0.00 0.00 176.35 175.29 1b4a s ILE 130 N 1.65 3.84 -0.32 6.68 1.01 0.35 -0.94 121.20 133.47 1b4a s ILE 130 Ca 0.20 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1b4a s ILE 130 Cb -0.15 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1b4a s ILE 130 CO 0.09 0.03 0.44 -0.63 0.00 0.00 0.00 174.94 174.87 1b4a s ILE 131 N 1.46 5.10 0.18 2.92 1.09 -0.14 -1.50 121.20 130.30 1b4a s ILE 131 Ca 0.01 0.39 0.04 0.00 -1.10 0.00 0.00 60.65 60.00 1b4a s ILE 131 Cb -0.18 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 1b4a s ILE 131 CO 0.02 -0.06 0.22 0.00 -0.10 0.00 0.00 174.94 175.02 1b4a h ARG 133 N 2.08 0.69 -3.86 0.00 9.65 -1.32 -3.44 114.38 118.17 1b4a h ARG 133 Ca -0.48 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.26 1b4a h ARG 133 Cb 1.20 -0.15 -0.11 0.00 -1.39 0.00 0.00 29.97 29.52 1b4a h ARG 133 CO 0.65 0.45 -0.25 0.95 2.80 0.00 0.00 179.97 184.58 1b4a s THR 134 N -6.06 0.01 0.36 0.20 -4.23 -1.26 -5.02 115.64 99.65 1b4a s THR 134 Ca -0.13 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1b4a s THR 134 Cb 0.18 -2.16 0.27 0.00 1.34 0.00 0.00 72.50 72.13 1b4a s THR 134 CO 0.77 -0.07 2.02 -0.65 -0.54 0.00 0.00 174.62 176.15 1b4a h PRO 135 N 2.38 0.78 -0.60 3.99 0.11 -1.88 -0.83 132.00 135.94 1b4a h PRO 135 Ca -0.29 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1b4a h PRO 135 Cb 1.25 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1b4a h PRO 135 CO 0.41 0.52 0.18 -0.22 -0.21 0.00 0.00 178.00 178.68 1b4a h LYS 136 N 0.81 0.94 0.00 1.05 3.64 -1.96 -1.89 116.57 119.15 1b4a h LYS 136 Ca 0.23 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1b4a h LYS 136 Cb -0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1b4a h LYS 136 CO -0.05 0.84 -0.43 -0.44 -2.27 0.00 0.00 179.45 177.10 1b4a h ASP 137 N 0.86 0.00 -0.51 4.20 3.45 -1.70 -2.34 116.42 120.38 1b4a h ASP 137 Ca 0.19 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.56 1b4a h ASP 137 Cb 0.29 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 1b4a h ASP 137 CO -0.01 0.43 -0.07 0.00 -1.57 0.00 0.00 179.24 178.03 1b4a h ALA 138 N 1.57 0.70 -0.29 3.45 0.00 -0.58 -1.42 119.26 122.69 1b4a h ALA 138 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1b4a h ALA 138 Cb 0.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1b4a h ALA 138 CO 0.06 0.57 0.11 -0.22 0.00 0.00 0.00 179.25 179.76 1b4a h LYS 139 N 0.81 0.44 -0.39 0.00 3.64 -1.13 -1.06 116.57 118.89 1b4a h LYS 139 Ca 0.14 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1b4a h LYS 139 Cb 0.61 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1b4a h LYS 139 CO 0.04 0.48 0.18 0.87 -2.27 0.00 0.00 179.45 178.75 1b4a h LYS 140 N 0.32 0.36 -0.53 1.90 1.57 -1.25 -1.72 116.57 117.21 1b4a h LYS 140 Ca 0.10 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1b4a h LYS 140 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1b4a h LYS 140 CO -0.01 0.24 0.08 0.28 -0.57 0.00 0.00 179.45 179.47 1b4a h VAL 141 N 0.37 1.24 -0.15 0.50 2.07 -1.11 -1.80 116.25 117.37 1b4a h VAL 141 Ca 0.17 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1b4a h VAL 141 Cb 0.09 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1b4a h VAL 141 CO -0.13 0.34 0.07 -1.28 0.02 0.00 0.00 177.57 176.59 1b4a h SER 142 N 0.81 0.19 -0.68 0.57 0.87 -0.67 -1.00 113.55 113.64 1b4a h SER 142 Ca 0.17 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1b4a h SER 142 Cb 0.38 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1b4a h SER 142 CO 0.01 0.25 0.20 0.78 -0.53 0.00 0.00 176.83 177.54 1b4a h ASN 143 N 0.12 1.00 -0.67 6.23 2.35 -1.19 -0.33 115.58 123.09 1b4a h ASN 143 Ca 0.05 -0.22 0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1b4a h ASN 143 Cb 0.11 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 1b4a h ASN 143 CO -0.01 0.95 0.37 -0.61 -1.65 0.00 0.00 177.43 176.49 1b4a h GLN 144 N 1.00 0.67 -0.21 0.81 5.75 -1.10 -0.13 115.11 121.90 1b4a h GLN 144 Ca 0.22 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.55 1b4a h GLN 144 Cb 0.32 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 1b4a h GLN 144 CO -0.00 0.44 -0.37 -0.07 -2.65 0.00 0.00 178.83 176.18 1b4a h LEU 145 N 0.69 0.70 -1.22 -2.39 3.38 -0.78 -3.17 115.31 112.52 1b4a h LEU 145 Ca 0.30 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1b4a h LEU 145 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1b4a h LEU 145 CO -0.18 1.10 -0.23 -0.07 0.09 0.00 0.00 178.44 179.15 1b4a h LEU 146 N 0.32 0.25 0.00 1.67 3.38 -0.76 -2.04 115.31 118.13 1b4a h LEU 146 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1b4a h LEU 146 Cb 0.97 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1b4a h LEU 146 CO 0.08 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.56 1b4a n SER 147 N -4.18 0.00 -0.01 -0.43 3.41 -0.09 -2.15 113.62 110.18 1b4a n SER 147 Ca -0.01 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 1b4a n SER 147 Cb 0.35 -0.45 0.43 0.00 -0.26 0.00 0.00 64.21 64.28 1b4a n SER 147 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1b4a n MET 148 N -1.45 0.03 0.00 4.33 2.81 -0.77 -5.09 117.12 116.99 1b4a n MET 148 Ca 0.05 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1b4a n MET 148 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1b4a n MET 148 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95