#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 -0.02 -0.05 1.61 1.08 -2.06 0.34 115.11 116.01 1b4a h GLN 5 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1b4a h GLN 5 Cb 0.00 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1b4a h GLN 5 CO 0.00 -0.02 0.02 -0.09 -0.95 0.00 0.00 178.83 177.79 1b4a h ARG 6 N -0.03 0.07 -0.12 1.46 2.43 -2.04 -1.91 114.38 114.23 1b4a h ARG 6 Ca 0.31 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1b4a h ARG 6 Cb 0.57 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1b4a h ARG 6 CO -0.94 0.18 -0.01 0.45 -1.51 0.00 0.00 179.97 178.14 1b4a h HIS 7 N -0.06 0.17 -0.19 2.20 3.86 -1.74 -1.70 115.15 117.69 1b4a h HIS 7 Ca 0.02 -0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 1b4a h HIS 7 Cb 0.14 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1b4a h HIS 7 CO -0.03 0.19 -0.58 0.82 0.86 0.00 0.00 177.93 179.20 1b4a h ILE 8 N 0.17 1.32 0.00 2.45 1.08 -0.12 -2.78 117.51 119.63 1b4a h ILE 8 Ca 0.04 -1.83 -0.14 0.00 -0.39 0.00 0.00 64.86 62.54 1b4a h ILE 8 Cb 0.14 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 1b4a h ILE 8 CO 0.00 0.57 -0.68 0.50 -0.69 0.00 0.00 178.15 177.86 1b4a h LYS 9 N 0.46 0.00 -0.10 2.37 1.63 -0.69 -2.91 116.57 117.33 1b4a h LYS 9 Ca 0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1b4a h LYS 9 Cb 1.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 1b4a h LYS 9 CO 0.11 0.68 -0.32 0.82 -3.45 0.00 0.00 179.45 177.29 1b4a h ILE 10 N 0.00 1.26 -0.55 2.00 2.04 -1.23 -0.61 117.51 120.42 1b4a h ILE 10 Ca -0.01 -1.26 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 1b4a h ILE 10 Cb 1.20 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 1b4a h ILE 10 CO 0.09 0.38 0.09 0.03 0.00 0.00 0.00 178.15 178.73 1b4a h ARG 11 N 0.16 0.92 -0.17 2.37 3.08 -1.30 -1.36 114.38 118.09 1b4a h ARG 11 Ca 0.02 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 1b4a h ARG 11 Cb 0.66 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1b4a h ARG 11 CO 0.05 0.88 -0.12 0.93 -1.07 0.00 0.00 179.97 180.64 1b4a h GLU 12 N 0.81 0.37 0.33 0.04 3.07 -1.38 -2.72 114.58 115.11 1b4a h GLU 12 Ca 0.17 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1b4a h GLU 12 Cb 0.41 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1b4a h GLU 12 CO 0.01 0.72 -0.26 0.82 -1.40 0.00 0.00 179.01 178.90 1b4a h ILE 13 N 0.03 0.45 -0.36 3.13 2.04 -1.02 0.39 117.51 122.18 1b4a h ILE 13 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1b4a h ILE 13 Cb 0.63 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1b4a h ILE 13 CO 0.03 0.00 0.24 0.40 0.00 0.00 0.00 178.15 178.83 1b4a h ILE 14 N -0.60 1.00 0.07 -0.67 1.08 -1.33 -1.27 117.51 115.79 1b4a h ILE 14 Ca -0.03 -0.11 -0.32 0.00 -0.39 0.00 0.00 64.86 64.01 1b4a h ILE 14 Cb 0.52 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1b4a h ILE 14 CO -0.01 0.06 -1.74 0.24 -0.69 0.00 0.00 178.15 176.01 1b4a h MET 15 N 0.33 0.15 -0.01 2.37 2.86 -1.22 -3.37 114.93 116.05 1b4a h MET 15 Ca 0.15 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1b4a h MET 15 Cb 0.19 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1b4a h MET 15 CO -0.03 0.91 -0.25 0.45 1.06 0.00 0.00 176.91 179.05 1b4a n SER 16 N -3.30 0.84 -3.55 1.22 2.88 0.14 -4.94 113.62 106.91 1b4a n SER 16 Ca -0.21 -0.74 -0.17 0.00 -1.33 0.00 0.00 58.87 56.42 1b4a n SER 16 Cb 1.05 0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 64.52 1b4a n SER 16 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1b4a s ASN 17 N -2.55 1.14 -0.92 -3.46 0.01 -0.49 -5.04 114.94 103.62 1b4a s ASN 17 Ca 0.24 -1.60 -0.02 0.00 -0.71 0.00 0.00 52.86 50.77 1b4a s ASN 17 Cb 0.19 0.54 0.23 0.00 0.41 0.00 0.00 41.25 42.62 1b4a s ASN 17 CO 0.53 -1.06 0.82 0.47 -1.51 0.00 0.00 177.10 176.35 1b4a n ASP 18 N -1.20 4.34 -4.62 -1.22 9.92 -1.26 -4.69 116.55 117.82 1b4a n ASP 18 Ca 0.05 -3.13 -0.43 0.00 -0.53 0.00 0.00 54.79 50.75 1b4a n ASP 18 Cb 0.63 -1.08 -0.02 0.00 -0.64 0.00 0.00 41.12 40.01 1b4a n ASP 18 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1b4a s ILE 19 N -1.41 4.38 -0.18 0.53 -1.09 -1.26 -4.88 121.20 117.29 1b4a s ILE 19 Ca 0.28 1.53 0.21 0.00 -2.23 0.00 0.00 60.65 60.45 1b4a s ILE 19 Cb -0.07 -4.47 -0.32 0.00 -1.58 0.00 0.00 42.46 36.03 1b4a s ILE 19 CO -0.12 -0.66 0.54 -0.62 -1.23 0.00 0.00 174.94 172.84 1b4a n GLU 20 N 7.24 0.56 -4.17 2.79 1.02 -1.26 0.49 120.64 127.31 1b4a n GLU 20 Ca 0.12 -0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 56.99 1b4a n GLU 20 Cb 0.48 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 1b4a n GLU 20 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1b4a s THR 21 N -3.41 0.74 0.23 2.62 -1.32 -1.26 -4.81 115.64 108.43 1b4a s THR 21 Ca -0.05 -1.91 -0.05 0.00 -1.21 0.00 0.00 61.69 58.47 1b4a s THR 21 Cb 0.14 -1.65 0.13 0.00 -1.51 0.00 0.00 72.50 69.61 1b4a s THR 21 CO 0.89 -0.83 1.76 -0.61 -2.21 0.00 0.00 174.62 173.62 1b4a h GLN 22 N 3.02 1.02 -0.94 7.08 4.15 -2.00 -2.58 115.11 124.87 1b4a h GLN 22 Ca -0.35 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 58.83 1b4a h GLN 22 Cb 1.17 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 1b4a h GLN 22 CO 0.63 0.90 0.55 -0.44 -1.93 0.00 0.00 178.83 178.54 1b4a h ASP 23 N 0.97 1.14 -0.86 -0.69 3.45 -1.98 -0.11 116.42 118.34 1b4a h ASP 23 Ca 0.21 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 1b4a h ASP 23 Cb 0.34 -0.29 -0.04 0.00 -0.56 0.00 0.00 39.33 38.78 1b4a h ASP 23 CO 0.00 0.89 0.49 -0.33 -1.57 0.00 0.00 179.24 178.72 1b4a h GLU 24 N 1.30 1.19 -0.26 3.56 5.08 -1.89 0.96 114.58 124.52 1b4a h GLU 24 Ca 0.33 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 1b4a h GLU 24 Cb -0.03 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.98 1b4a h GLU 24 CO -0.06 0.86 -0.58 1.25 -1.00 0.00 0.00 179.01 179.48 1b4a h LEU 25 N 1.20 0.95 -0.75 1.33 6.46 -1.08 -1.97 115.31 121.45 1b4a h LEU 25 Ca 0.31 -0.55 -0.07 0.00 -0.12 0.00 0.00 57.88 57.44 1b4a h LEU 25 Cb -0.00 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 39.63 1b4a h LEU 25 CO -0.05 1.33 0.13 0.58 -0.62 0.00 0.00 178.44 179.80 1b4a h VAL 26 N 0.61 1.26 -0.11 1.05 2.07 -0.64 -1.37 116.25 119.12 1b4a h VAL 26 Ca 0.00 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1b4a h VAL 26 Cb 1.19 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1b4a h VAL 26 CO 0.13 0.38 0.04 0.44 0.02 0.00 0.00 177.57 178.57 1b4a h ASP 27 N 1.01 0.15 -0.26 0.57 5.19 -0.78 -1.54 116.42 120.76 1b4a h ASP 27 Ca 0.20 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1b4a h ASP 27 Cb 0.41 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1b4a h ASP 27 CO 0.01 0.30 0.08 -0.09 -3.12 0.00 0.00 179.24 176.41 1b4a h ARG 28 N -0.00 0.50 -0.31 3.56 9.65 -1.19 -1.72 114.38 124.86 1b4a h ARG 28 Ca 0.03 -0.08 -0.17 0.00 -1.10 0.00 0.00 59.98 58.67 1b4a h ARG 28 Cb 0.20 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1b4a h ARG 28 CO -0.00 0.46 -0.46 -0.07 2.80 0.00 0.00 179.97 182.70 1b4a h LEU 29 N 0.49 0.94 -0.88 3.80 3.38 -1.04 -2.20 115.31 119.79 1b4a h LEU 29 Ca 0.12 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1b4a h LEU 29 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1b4a h LEU 29 CO -0.00 1.27 -0.14 0.03 0.09 0.00 0.00 178.44 179.69 1b4a h ARG 30 N 0.64 0.68 -0.16 1.13 3.08 -0.91 -0.70 114.38 118.14 1b4a h ARG 30 Ca 0.03 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 1b4a h ARG 30 Cb 1.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1b4a h ARG 30 CO 0.11 0.79 -0.34 0.93 -1.07 0.00 0.00 179.97 180.39 1b4a h GLU 31 N 0.61 0.32 0.00 0.04 5.08 -1.26 -2.19 114.58 117.19 1b4a h GLU 31 Ca 0.10 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1b4a h GLU 31 Cb 0.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1b4a h GLU 31 CO 0.04 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 1b4a n ALA 32 N -2.48 2.43 0.00 3.43 0.00 -0.84 -4.86 120.51 118.20 1b4a n ALA 32 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1b4a n ALA 32 Cb 0.44 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.73 0.95 3.40 0.00 0.00 -0.82 -5.07 105.19 104.38 1b4a n GLY 33 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 3.25 -0.89 1.61 0.40 -0.31 -5.00 117.98 115.04 1b4a s PHE 34 Ca 0.00 -0.85 -0.22 0.00 -0.60 0.00 0.00 56.93 55.26 1b4a s PHE 34 Cb 0.00 -2.63 0.08 0.00 0.51 0.00 0.00 43.02 40.97 1b4a s PHE 34 CO 0.00 -0.66 1.24 1.21 0.70 0.00 0.00 175.22 177.71 1b4a s ASN 35 N 1.78 6.43 0.25 1.36 3.04 -1.26 -3.24 114.94 123.31 1b4a s ASN 35 Ca 0.04 -1.40 0.10 0.00 0.04 0.00 0.00 52.86 51.63 1b4a s ASN 35 Cb -0.20 -2.49 -0.04 0.00 -1.54 0.00 0.00 41.25 36.98 1b4a s ASN 35 CO 0.08 -1.41 -0.05 0.68 -3.04 0.00 0.00 177.10 173.36 1b4a s VAL 36 N 4.24 3.28 0.20 -5.21 -7.23 -1.26 -5.11 120.40 109.30 1b4a s VAL 36 Ca 0.36 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1b4a s VAL 36 Cb -0.06 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1b4a s VAL 36 CO -0.03 -0.32 0.28 0.42 -0.31 0.00 0.00 175.10 175.14 1b4a s THR 37 N -2.22 5.09 0.56 5.32 -4.23 -1.26 -4.99 115.64 113.90 1b4a s THR 37 Ca 0.30 -0.93 0.24 0.00 -1.18 0.00 0.00 61.69 60.11 1b4a s THR 37 Cb -0.07 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1b4a s THR 37 CO 0.18 -0.21 2.14 1.56 -0.54 0.00 0.00 174.62 177.76 1b4a h GLN 38 N 1.75 0.00 -0.17 3.99 1.08 -1.99 -2.26 115.11 117.51 1b4a h GLN 38 Ca -0.50 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.62 1b4a h GLN 38 Cb 1.21 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1b4a h GLN 38 CO 0.64 0.00 -0.22 0.00 -0.95 0.00 0.00 178.83 178.30 1b4a h ALA 39 N 1.90 0.25 -0.21 3.87 0.00 -1.99 -2.03 119.26 121.06 1b4a h ALA 39 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1b4a h ALA 39 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b4a h ALA 39 CO -0.00 0.21 0.14 1.15 0.00 0.00 0.00 179.25 180.75 1b4a h THR 40 N 0.09 1.06 -0.61 0.00 2.02 -1.82 -1.59 112.91 112.06 1b4a h THR 40 Ca 0.02 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1b4a h THR 40 Cb 0.78 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1b4a h THR 40 CO 0.05 0.06 0.22 0.58 0.37 0.00 0.00 175.52 176.80 1b4a h VAL 41 N 0.28 1.23 -0.78 3.16 2.07 -1.50 0.23 116.25 120.94 1b4a h VAL 41 Ca 0.08 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1b4a h VAL 41 Cb -0.02 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1b4a h VAL 41 CO -0.02 0.29 0.40 -1.28 0.02 0.00 0.00 177.57 176.98 1b4a h SER 42 N 0.89 0.99 -0.22 0.57 0.87 -0.95 -1.08 113.55 114.63 1b4a h SER 42 Ca 0.21 -0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.47 1b4a h SER 42 Cb 0.22 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1b4a h SER 42 CO -0.01 0.82 -0.62 -0.09 -0.53 0.00 0.00 176.83 176.39 1b4a h ARG 43 N 1.10 0.83 -0.75 2.24 1.12 -0.65 -3.09 114.38 115.18 1b4a h ARG 43 Ca 0.27 -0.57 0.03 0.00 -1.11 0.00 0.00 59.98 58.60 1b4a h ARG 43 Cb 0.07 0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 30.07 1b4a h ARG 43 CO -0.04 1.20 0.48 -0.44 -3.11 0.00 0.00 179.97 178.05 1b4a h ASP 44 N 0.61 0.79 -0.96 -3.80 3.32 -0.42 0.13 116.42 116.09 1b4a h ASP 44 Ca -0.01 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.09 1b4a h ASP 44 Cb 1.24 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 1b4a h ASP 44 CO 0.13 0.55 0.63 0.40 -1.72 0.00 0.00 179.24 179.23 1b4a h ILE 45 N 0.93 1.13 -0.08 0.35 2.04 -1.18 0.72 117.51 121.43 1b4a h ILE 45 Ca 0.30 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1b4a h ILE 45 Cb 0.00 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 1b4a h ILE 45 CO -0.11 0.21 -0.16 0.11 0.00 0.00 0.00 178.15 178.21 1b4a h LYS 46 N 1.17 0.25 -0.45 2.37 1.57 -1.23 -1.88 116.57 118.37 1b4a h LYS 46 Ca 0.39 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1b4a h LYS 46 Cb 0.08 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1b4a h LYS 46 CO -0.13 0.75 0.21 1.49 -0.57 0.00 0.00 179.45 181.20 1b4a h GLU 47 N -0.22 0.41 -0.01 3.15 4.57 -0.36 -1.47 114.58 120.65 1b4a h GLU 47 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1b4a h GLU 47 Cb 0.74 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1b4a h GLU 47 CO 0.04 0.27 0.00 -1.33 -1.18 0.00 0.00 179.01 176.81 1b4a n MET 48 N -4.93 1.18 -4.03 1.92 2.81 0.21 -4.92 117.12 109.36 1b4a n MET 48 Ca 0.03 -0.27 -0.30 0.00 -1.81 0.00 0.00 57.70 55.35 1b4a n MET 48 Cb 0.13 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.17 1b4a n MET 48 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1b4a n GLN 49 N -0.64 -3.78 -1.51 0.03 6.02 -0.55 -4.63 117.38 112.31 1b4a n GLN 49 Ca 0.21 0.44 -0.34 0.00 -0.01 0.00 0.00 57.00 57.30 1b4a n GLN 49 Cb 0.17 -4.97 0.08 0.00 1.02 0.00 0.00 30.24 26.54 1b4a n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1b4a s LEU 50 N -7.13 3.33 0.31 1.08 1.43 -0.75 -4.26 118.68 112.68 1b4a s LEU 50 Ca 0.41 2.26 0.05 0.00 -1.03 0.00 0.00 54.13 55.82 1b4a s LEU 50 Cb -0.22 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.36 1b4a s LEU 50 CO 0.89 -2.11 0.00 0.68 0.23 0.00 0.00 176.35 176.04 1b4a s VAL 51 N -2.09 1.42 -0.28 -1.59 -7.23 0.47 -4.95 120.40 106.16 1b4a s VAL 51 Ca 0.72 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1b4a s VAL 51 Cb -0.27 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.04 1b4a s VAL 51 CO 0.44 -0.15 0.05 -0.75 -0.31 0.00 0.00 175.10 174.39 1b4a s LYS 52 N -3.81 3.19 -0.12 4.82 2.47 -1.26 -0.32 119.74 124.71 1b4a s LYS 52 Ca 0.33 -0.78 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 1b4a s LYS 52 Cb 0.07 -3.29 -0.02 0.00 -1.46 0.00 0.00 37.83 33.13 1b4a s LYS 52 CO 0.14 -0.37 -0.12 0.08 0.16 0.00 0.00 175.35 175.23 1b4a s VAL 53 N 1.50 3.15 0.92 4.02 1.01 -0.05 -4.91 120.40 126.04 1b4a s VAL 53 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1b4a s VAL 53 Cb -0.16 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.04 1b4a s VAL 53 CO 0.01 0.53 1.10 -2.16 0.00 0.00 0.00 175.10 174.59 1b4a s PRO 54 N 0.16 1.02 0.00 2.72 0.04 -1.26 -1.47 135.00 136.21 1b4a s PRO 54 Ca -0.07 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1b4a s PRO 54 Cb -0.15 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1b4a s PRO 54 CO 0.05 -2.51 0.00 -1.33 0.04 0.00 0.00 177.00 173.25 1b4a n MET 55 N -4.11 3.98 0.05 4.56 2.81 -0.51 -4.81 117.12 119.09 1b4a n MET 55 Ca 0.09 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.78 1b4a n MET 55 Cb 0.53 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.90 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 0.26 0.31 0.00 3.04 0.00 -1.98 -3.33 119.26 117.56 1b4a h ALA 56 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1b4a h ALA 56 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1b4a h ALA 56 CO 0.00 1.17 0.00 0.27 0.00 0.00 0.00 179.25 180.69 1b4a n ASN 57 N -3.47 0.00 0.00 0.00 2.04 -1.26 -4.85 115.26 107.72 1b4a n ASN 57 Ca -0.23 -1.88 0.00 0.00 -0.44 0.00 0.00 54.58 52.03 1b4a n ASN 57 Cb 1.06 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.31 1b4a n ASN 57 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1b4a n GLY 58 N 0.53 2.33 0.00 4.83 0.00 -1.25 -5.02 105.19 106.62 1b4a n GLY 58 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1b4a n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4a n ARG 59 N -2.00 -0.14 -4.13 1.61 1.74 -1.26 -4.70 116.66 107.78 1b4a n ARG 59 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 1b4a n ARG 59 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 1b4a n ARG 59 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1b4a s TYR 60 N -0.85 1.01 0.04 -1.55 1.51 -1.26 -1.42 117.35 114.83 1b4a s TYR 60 Ca 0.00 -0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1b4a s TYR 60 Cb 0.00 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1b4a s TYR 60 CO 0.00 0.00 -0.02 -1.59 -1.11 0.00 0.00 175.55 172.83 1b4a s LYS 61 N -1.83 0.52 0.67 -0.62 -2.85 -0.54 -4.23 119.74 110.85 1b4a s LYS 61 Ca -0.04 -1.02 -0.14 0.00 -1.00 0.00 0.00 55.97 53.77 1b4a s LYS 61 Cb -0.09 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1b4a s LYS 61 CO 0.01 -0.09 1.10 0.71 0.10 0.00 0.00 175.35 177.18 1b4a s TYR 62 N -3.16 2.69 0.01 1.78 1.51 0.18 -0.87 117.35 119.49 1b4a s TYR 62 Ca -0.00 1.54 -0.26 0.00 -1.01 0.00 0.00 57.07 57.34 1b4a s TYR 62 Cb 0.02 -3.12 0.06 0.00 -0.11 0.00 0.00 41.96 38.82 1b4a s TYR 62 CO -0.07 -1.61 0.59 -1.12 -1.11 0.00 0.00 175.55 172.23 1b4a s SER 63 N -2.78 -0.54 0.70 2.29 0.01 0.56 -4.75 113.70 109.19 1b4a s SER 63 Ca 0.65 0.40 -0.11 0.00 1.31 0.00 0.00 55.95 58.20 1b4a s SER 63 Cb -0.19 0.52 0.01 0.00 0.21 0.00 0.00 66.02 66.56 1b4a s SER 63 CO 0.43 -0.68 1.06 -0.76 0.41 0.00 0.00 173.24 173.70 1b4a s LEU 64 N -1.66 3.09 0.00 2.44 1.43 -1.26 -0.39 118.68 122.33 1b4a s LEU 64 Ca -0.08 1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.57 1b4a s LEU 64 Cb -0.01 -4.44 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 1b4a s LEU 64 CO 0.03 -1.43 1.22 -0.81 0.23 0.00 0.00 176.35 175.59 1b4a n PRO 65 N -3.12 0.52 0.00 1.29 -0.04 -1.26 -2.72 135.00 129.67 1b4a n PRO 65 Ca 0.07 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1b4a n PRO 65 Cb 0.54 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 2.62 0.00 -3.41 3.54 3.41 -1.26 -4.96 113.62 113.57 1b4a n SER 66 Ca 0.10 -0.34 -0.34 0.00 -0.26 0.00 0.00 58.87 58.02 1b4a n SER 66 Cb 0.24 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1b4a n SER 66 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1b4a n ASP 67 N 0.00 1.46 0.00 4.04 -0.08 -1.10 -4.65 116.55 116.21 1b4a n ASP 67 Ca 0.00 -2.43 0.00 0.00 -1.51 0.00 0.00 54.79 50.85 1b4a n ASP 67 Cb 0.09 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1b4a n ASP 67 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1b4a n GLN 68 N 6.91 0.00 -0.04 -0.67 -0.06 -1.26 -0.41 117.38 121.85 1b4a n GLN 68 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.39 1b4a n GLN 68 Cb 0.31 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.51 1b4a n GLN 68 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1b4a n ARG 69 N -2.64 1.18 0.00 3.69 1.85 -1.26 -4.00 116.66 115.48 1b4a n ARG 69 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1b4a n ARG 69 Cb 0.00 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 1b4a n ARG 69 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1b4a n PHE 70 N 0.01 0.00 -3.50 2.89 -0.00 0.45 -4.74 117.46 112.56 1b4a n PHE 70 Ca 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.08 1b4a n PHE 70 Cb 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.72 1b4a n PHE 70 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1b4a n ASN 71 N 0.00 4.67 -0.30 -2.13 2.85 -1.26 -4.92 115.26 114.16 1b4a n ASN 71 Ca 0.00 -3.17 0.06 0.00 -0.11 0.00 0.00 54.58 51.36 1b4a n ASN 71 Cb 0.00 -1.11 0.21 0.00 1.24 0.00 0.00 39.78 40.12 1b4a n ASN 71 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1b4a h PRO 72 N 5.93 0.71 0.06 1.20 0.13 -1.85 -2.37 132.00 135.80 1b4a h PRO 72 Ca 0.17 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1b4a h PRO 72 Cb 0.79 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1b4a h PRO 72 CO 0.94 0.47 -0.03 -0.07 -0.23 0.00 0.00 178.00 179.07 1b4a h LEU 73 N 0.73 -0.07 -0.39 1.56 3.38 -1.92 -1.06 115.31 117.54 1b4a h LEU 73 Ca 0.45 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.41 1b4a h LEU 73 Cb 0.54 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1b4a h LEU 73 CO -0.31 -0.01 0.18 -0.61 0.09 0.00 0.00 178.44 177.77 1b4a h GLN 74 N -0.13 0.35 -0.56 1.13 4.15 -1.92 -1.16 115.11 116.97 1b4a h GLN 74 Ca -0.01 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1b4a h GLN 74 Cb 0.11 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1b4a h GLN 74 CO 0.01 0.23 0.25 0.87 -1.93 0.00 0.00 178.83 178.27 1b4a h LYS 75 N 0.36 0.80 -0.25 1.69 1.57 -1.36 -1.49 116.57 117.89 1b4a h LYS 75 Ca 0.17 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1b4a h LYS 75 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1b4a h LYS 75 CO -0.14 0.64 0.05 1.25 -0.57 0.00 0.00 179.45 180.68 1b4a h LEU 76 N 0.80 0.39 -0.26 2.94 5.85 -0.57 0.67 115.31 125.13 1b4a h LEU 76 Ca 0.20 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1b4a h LEU 76 Cb 0.12 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1b4a h LEU 76 CO -0.02 0.54 0.04 0.50 -0.34 0.00 0.00 178.44 179.16 1b4a h LYS 77 N 0.22 0.14 -0.61 1.25 3.64 -0.88 0.22 116.57 120.55 1b4a h LYS 77 Ca 0.08 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1b4a h LYS 77 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1b4a h LYS 77 CO 0.00 0.09 0.32 -0.09 -2.27 0.00 0.00 179.45 177.50 1b4a h ARG 78 N 0.14 0.87 -0.19 1.90 2.43 -1.10 -2.22 114.38 116.20 1b4a h ARG 78 Ca 0.12 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1b4a h ARG 78 Cb 0.13 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1b4a h ARG 78 CO -0.17 0.68 -0.05 0.00 -1.51 0.00 0.00 179.97 178.92 1b4a h ALA 79 N 1.14 0.27 -0.10 2.80 0.00 -0.40 -3.02 119.26 119.95 1b4a h ALA 79 Ca 0.21 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1b4a h ALA 79 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1b4a h ALA 79 CO -0.03 0.04 -0.13 1.25 0.00 0.00 0.00 179.25 180.38 1b4a h LEU 80 N 0.09 -0.41 -2.94 0.00 5.85 -0.47 0.47 115.31 117.91 1b4a h LEU 80 Ca 0.05 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1b4a h LEU 80 Cb 0.49 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1b4a h LEU 80 CO 0.02 -0.18 -0.00 1.62 -0.34 0.00 0.00 178.44 179.56 1b4a h VAL 81 N -0.18 0.00 0.06 1.05 3.04 -1.43 0.95 116.25 119.74 1b4a h VAL 81 Ca 0.08 -0.02 -0.35 0.00 -1.01 0.00 0.00 66.70 65.40 1b4a h VAL 81 Cb 0.29 1.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.55 1b4a h VAL 81 CO -0.20 0.00 -2.01 0.47 -1.01 0.00 0.00 177.57 174.82 1b4a n ASP 82 N -3.09 2.03 -0.00 3.17 8.00 -0.42 -4.67 116.55 121.57 1b4a n ASP 82 Ca -0.03 0.19 0.06 0.00 0.71 0.00 0.00 54.79 55.72 1b4a n ASP 82 Cb 0.08 -0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 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 -3.71 0.00 -1.66 2.53 0.24 0.02 -4.93 118.33 110.82 1b4a n VAL 83 Ca -0.37 -0.23 -0.40 0.00 -2.04 0.00 0.00 64.34 61.29 1b4a n VAL 83 Cb 0.95 0.88 0.02 0.00 -1.47 0.00 0.00 33.84 34.21 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 -1.38 1.67 0.05 6.34 7.35 0.31 -0.98 117.46 130.83 1b4a n PHE 84 Ca 0.01 0.51 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1b4a n PHE 84 Cb 0.20 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 37.73 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 -0.56 0.26 -3.51 -2.13 5.41 -0.45 -4.80 119.36 113.58 1b4a n ILE 85 Ca 0.09 0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.79 1b4a n ILE 85 Cb 0.41 -0.98 -0.04 0.00 -0.71 0.00 0.00 39.64 38.32 1b4a n ILE 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1b4a s LYS 86 N -2.00 1.15 -0.03 0.38 -2.85 -1.12 -5.01 119.74 110.26 1b4a s LYS 86 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 1b4a s LYS 86 Cb 0.00 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 1b4a s LYS 86 CO 0.00 -0.45 0.00 -1.17 0.10 0.00 0.00 175.35 173.83 1b4a s LEU 87 N -2.30 1.18 0.29 2.77 2.96 -1.26 -0.51 118.68 121.81 1b4a s LEU 87 Ca -0.02 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1b4a s LEU 87 Cb -0.00 -0.19 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 1b4a s LEU 87 CO -0.06 -0.10 0.20 -0.62 -1.32 0.00 0.00 176.35 174.45 1b4a s ASP 88 N 0.99 1.25 0.00 3.68 3.68 -0.53 -5.00 116.67 120.73 1b4a s ASP 88 Ca -0.10 -1.61 0.00 0.00 2.13 0.00 0.00 52.55 52.98 1b4a s ASP 88 Cb -0.13 0.47 0.00 0.00 -1.45 0.00 0.00 42.92 41.80 1b4a s ASP 88 CO -0.02 -0.96 0.00 0.61 0.13 0.00 0.00 175.17 174.94 1b4a n GLY 89 N -0.52 0.41 3.41 2.66 0.00 -1.26 -0.13 105.19 109.76 1b4a n GLY 89 Ca 0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1b4a n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4a s THR 90 N -2.00 -0.01 0.00 2.61 2.01 -0.83 -5.01 115.64 112.41 1b4a s THR 90 Ca 0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1b4a s THR 90 Cb 0.00 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.78 1b4a s THR 90 CO 0.00 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1b4a n GLY 91 N 3.27 3.76 1.68 4.40 0.00 -1.26 -1.47 105.19 115.56 1b4a n GLY 91 Ca -0.16 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 6.78 5.13 -4.54 1.61 6.94 -1.26 -4.34 115.26 125.57 1b4a n ASN 92 Ca 0.00 -2.66 -0.31 0.00 -0.02 0.00 0.00 54.58 51.58 1b4a n ASN 92 Cb 0.00 -0.62 -0.11 0.00 -2.36 0.00 0.00 39.78 36.69 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 -2.25 2.94 -0.07 -4.53 1.43 -0.54 -1.48 118.68 114.18 1b4a s LEU 93 Ca 0.52 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1b4a s LEU 93 Cb 0.36 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.89 1b4a s LEU 93 CO 0.21 0.26 -0.09 -0.76 0.23 0.00 0.00 176.35 176.19 1b4a s LEU 94 N -1.53 1.49 -0.29 1.79 1.02 -0.59 -1.96 118.68 118.60 1b4a s LEU 94 Ca 0.17 -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 45.41 1b4a s LEU 94 CO 0.07 -0.01 0.03 -0.69 0.02 0.00 0.00 176.35 175.78 1b4a s VAL 95 N 0.87 3.45 -0.21 -1.59 1.01 0.81 -0.45 120.40 124.30 1b4a s VAL 95 Ca -0.11 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 1b4a s VAL 95 Cb -0.15 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1b4a s VAL 95 CO 0.01 0.01 0.03 -0.22 0.00 0.00 0.00 175.10 174.93 1b4a s LEU 96 N 1.38 3.41 -0.15 3.92 0.20 -0.25 -1.46 118.68 125.73 1b4a s LEU 96 Ca -0.01 -0.14 -0.08 0.00 0.69 0.00 0.00 54.13 54.59 1b4a s LEU 96 Cb -0.18 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1b4a s LEU 96 CO 0.00 0.07 0.11 -0.60 -0.29 0.00 0.00 176.35 175.64 1b4a s ARG 97 N 0.98 3.74 0.36 1.98 6.06 0.34 -0.71 118.95 131.71 1b4a s ARG 97 Ca 0.02 -0.23 0.04 0.00 -2.50 0.00 0.00 55.73 53.06 1b4a s ARG 97 Cb -0.14 -3.23 -0.03 0.00 0.06 0.00 0.00 34.95 31.61 1b4a s ARG 97 CO 0.02 0.52 0.14 0.95 -2.50 0.00 0.00 175.30 174.43 1b4a s THR 98 N -0.29 0.53 0.74 4.11 -4.23 -0.09 -1.34 115.64 115.07 1b4a s THR 98 Ca 0.10 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.46 1b4a s THR 98 Cb -0.12 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.32 1b4a s THR 98 CO 0.01 0.00 1.24 -0.76 -0.54 0.00 0.00 174.62 174.57 1b4a s LEU 99 N -3.51 3.32 0.10 4.79 1.43 -0.16 -4.77 118.68 119.89 1b4a s LEU 99 Ca 0.30 2.48 -0.36 0.00 -1.03 0.00 0.00 54.13 55.52 1b4a s LEU 99 Cb 0.04 -4.60 -0.16 0.00 0.03 0.00 0.00 46.19 41.50 1b4a s LEU 99 CO 0.17 -2.41 1.42 -0.81 0.23 0.00 0.00 176.35 174.95 1b4a n PRO 100 N -2.74 1.46 -1.68 1.29 -0.04 -1.26 -2.42 135.00 129.61 1b4a n PRO 100 Ca 0.14 0.53 -0.08 0.00 -0.04 0.00 0.00 63.50 64.05 1b4a n PRO 100 Cb 0.49 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 1b4a n PRO 100 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b4a n GLY 101 N 2.83 0.55 0.03 0.55 0.00 -0.74 -4.91 105.19 103.50 1b4a n GLY 101 Ca 0.18 -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 0.52 0.53 -0.08 1.61 3.02 -1.02 -4.74 115.26 115.11 1b4a n ASN 102 Ca -0.09 -0.77 -0.08 0.00 -0.03 0.00 0.00 54.58 53.61 1b4a n ASN 102 Cb 0.42 0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 40.17 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 0.32 0.35 -0.38 5.41 0.00 -1.70 -2.94 119.26 120.31 1b4a h ALA 103 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1b4a h ALA 103 Cb 0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1b4a h ALA 103 CO 0.00 -0.26 0.12 1.25 0.00 0.00 0.00 179.25 180.35 1b4a h HIS 104 N 0.28 0.20 -0.39 0.00 -0.00 -1.80 -1.46 115.15 111.99 1b4a h HIS 104 Ca 0.12 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.59 1b4a h HIS 104 Cb 0.06 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.37 1b4a h HIS 104 CO -0.11 0.07 -0.00 0.00 -0.00 0.00 0.00 177.93 177.89 1b4a h ALA 105 N 1.26 0.35 -0.82 5.26 0.00 -1.84 -0.85 119.26 122.62 1b4a h ALA 105 Ca 0.18 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1b4a h ALA 105 Cb 0.18 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1b4a h ALA 105 CO -0.20 -0.40 0.37 0.82 0.00 0.00 0.00 179.25 179.85 1b4a h ILE 106 N 0.10 1.26 -0.92 0.00 1.08 -1.37 -2.34 117.51 115.32 1b4a h ILE 106 Ca 0.19 -0.75 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 1b4a h ILE 106 Cb 0.27 0.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 1b4a h ILE 106 CO -0.32 0.32 0.61 1.23 -0.69 0.00 0.00 178.15 179.29 1b4a h GLY 107 N 1.19 1.31 0.87 5.37 0.00 -0.16 0.13 103.07 111.77 1b4a h GLY 107 Ca 0.28 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1b4a h GLY 107 CO -0.03 0.45 0.04 -2.08 0.00 0.00 0.00 176.54 174.92 1b4a h VAL 108 N 1.22 1.14 -0.15 4.60 2.07 -0.92 -1.14 116.25 123.07 1b4a h VAL 108 Ca 0.35 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1b4a h VAL 108 Cb -0.10 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1b4a h VAL 108 CO -0.09 0.12 -0.06 -0.07 0.02 0.00 0.00 177.57 177.49 1b4a h LEU 109 N 0.01 -0.20 -1.08 2.57 4.07 -1.05 0.20 115.31 119.84 1b4a h LEU 109 Ca 0.03 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.07 1b4a h LEU 109 Cb 0.15 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 1b4a h LEU 109 CO -0.00 -0.08 0.62 -0.07 -1.08 0.00 0.00 178.44 177.83 1b4a h LEU 110 N -0.04 1.06 -0.85 1.67 3.38 -0.92 -1.86 115.31 117.77 1b4a h LEU 110 Ca 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1b4a h LEU 110 Cb 0.15 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1b4a h LEU 110 CO -0.18 0.76 0.42 0.44 0.09 0.00 0.00 178.44 179.97 1b4a h ASP 111 N 1.25 1.09 0.61 -0.43 3.45 -0.30 -2.65 116.42 119.45 1b4a h ASP 111 Ca 0.35 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.61 1b4a h ASP 111 Cb -0.10 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.38 1b4a h ASP 111 CO -0.09 0.91 -0.36 0.78 -1.57 0.00 0.00 179.24 178.92 1b4a h ASN 112 N 1.20 0.00 0.20 6.45 -0.26 -0.26 -2.85 115.58 120.06 1b4a h ASN 112 Ca 0.29 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.99 1b4a h ASN 112 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1b4a h ASN 112 CO -0.04 0.36 -0.21 -0.07 -1.06 0.00 0.00 177.43 176.41 1b4a h LEU 113 N 0.00 0.02 -2.06 1.61 4.07 -0.98 -3.47 115.31 114.50 1b4a h LEU 113 Ca -0.00 -0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.52 1b4a h LEU 113 Cb 0.76 -0.01 0.04 0.00 1.08 0.00 0.00 40.66 42.54 1b4a h LEU 113 CO 0.05 0.23 -0.86 -0.67 -1.08 0.00 0.00 178.44 176.11 1b4a n ASP 114 N -4.28 -1.87 -4.74 -0.43 4.64 -1.08 -4.94 116.55 103.85 1b4a n ASP 114 Ca -0.02 -0.88 -0.41 0.00 -1.38 0.00 0.00 54.79 52.10 1b4a n ASP 114 Cb 0.28 -3.81 -0.05 0.00 -1.04 0.00 0.00 41.12 36.50 1b4a n ASP 114 CO 0.00 0.00 0.00 0.26 -0.82 0.00 0.00 177.20 176.64 1b4a s TRP 115 N -3.69 3.87 0.46 -0.67 0.51 -1.26 -4.94 118.94 113.23 1b4a s TRP 115 Ca 0.10 1.84 0.16 0.00 -2.12 0.00 0.00 56.10 56.08 1b4a s TRP 115 Cb -0.03 -3.04 1.11 0.00 -0.81 0.00 0.00 33.47 30.70 1b4a s TRP 115 CO 0.83 0.25 2.03 -0.44 -0.51 0.00 0.00 176.95 179.11 1b4a h ASP 116 N 4.86 0.00 0.81 2.95 5.19 -2.01 -2.39 116.42 125.83 1b4a h ASP 116 Ca -0.44 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 1b4a h ASP 116 Cb 1.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1b4a h ASP 116 CO 0.70 0.14 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.55 1b4a h GLU 117 N 0.00 0.00 -4.72 3.56 3.07 -1.94 -3.42 114.58 111.14 1b4a h GLU 117 Ca -0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.17 1b4a h GLU 117 Cb 0.26 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 27.95 1b4a h GLU 117 CO 0.02 0.08 -0.54 0.42 -1.40 0.00 0.00 179.01 177.59 1b4a s ILE 118 N -3.78 4.65 0.10 3.13 1.01 -0.90 -0.91 121.20 124.49 1b4a s ILE 118 Ca -0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1b4a s ILE 118 Cb 0.10 -3.44 -0.13 0.00 0.01 0.00 0.00 42.46 39.00 1b4a s ILE 118 CO 0.56 -0.03 1.33 0.58 0.00 0.00 0.00 174.94 177.39 1b4a h VAL 119 N 5.71 1.30 -1.45 2.92 2.07 -0.78 -3.44 116.25 122.57 1b4a h VAL 119 Ca -0.30 -1.81 0.41 0.00 0.82 0.00 0.00 66.70 65.82 1b4a h VAL 119 Cb 1.13 1.88 -0.11 0.00 -1.52 0.00 0.00 31.29 32.67 1b4a h VAL 119 CO 0.63 0.57 1.01 -0.83 0.02 0.00 0.00 177.57 178.97 1b4a s GLY 120 N -3.97 -0.38 -0.00 2.17 0.00 -1.06 -5.03 107.32 99.05 1b4a s GLY 120 Ca -0.11 0.62 -0.00 0.00 0.00 0.00 0.00 44.72 45.22 1b4a s GLY 120 CO 0.88 3.19 0.01 -1.08 0.00 0.00 0.00 173.10 176.10 1b4a s THR 121 N -2.01 -0.01 -0.19 0.90 -1.32 -1.26 -0.83 115.64 110.92 1b4a s THR 121 Ca 0.23 0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.74 1b4a s THR 121 Cb 0.04 -0.03 0.02 0.00 -1.51 0.00 0.00 72.50 71.03 1b4a s THR 121 CO -0.05 0.01 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.56 1b4a s ILE 122 N 0.11 2.22 -0.00 5.08 -1.09 -0.25 -4.98 121.20 122.30 1b4a s ILE 122 Ca -0.01 -0.95 0.03 0.00 -2.23 0.00 0.00 60.65 57.49 1b4a s ILE 122 Cb -0.01 -1.97 -0.03 0.00 -1.58 0.00 0.00 42.46 38.86 1b4a s ILE 122 CO -0.00 0.48 -0.06 0.00 -1.23 0.00 0.00 174.94 174.12 1b4a n GLY 124 N 1.60 1.65 0.10 0.00 0.00 0.03 -4.91 105.19 103.66 1b4a n GLY 124 Ca -0.16 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1b4a n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4a n ASP 125 N 0.00 1.86 -0.01 1.61 4.64 -1.26 -4.24 116.55 119.15 1b4a n ASP 125 Ca 0.00 0.47 0.01 0.00 -1.38 0.00 0.00 54.79 53.89 1b4a n ASP 125 Cb 0.00 -0.89 0.01 0.00 -1.04 0.00 0.00 41.12 39.19 1b4a n ASP 125 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 1b4a n ASP 126 N -4.47 1.60 -4.24 1.67 5.68 -1.26 -1.79 116.55 113.74 1b4a n ASP 126 Ca -0.26 -1.87 -0.27 0.00 -0.50 0.00 0.00 54.79 51.90 1b4a n ASP 126 Cb 0.57 -0.03 -0.15 0.00 -1.14 0.00 0.00 41.12 40.37 1b4a n ASP 126 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1b4a s THR 127 N -0.90 1.68 -0.17 2.12 -1.32 -1.26 -0.91 115.64 114.88 1b4a s THR 127 Ca 0.02 -1.06 -0.03 0.00 -1.21 0.00 0.00 61.69 59.41 1b4a s THR 127 Cb 0.02 -1.42 0.05 0.00 -1.51 0.00 0.00 72.50 69.63 1b4a s THR 127 CO 0.00 0.34 0.04 0.00 -2.21 0.00 0.00 174.62 172.78 1b4a s LEU 129 N 1.92 4.10 -0.31 0.00 2.96 0.07 -1.09 118.68 126.32 1b4a s LEU 129 Ca 0.01 0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1b4a s LEU 129 Cb -0.16 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.76 1b4a s LEU 129 CO -0.08 -0.28 0.10 -0.63 -1.32 0.00 0.00 176.35 174.14 1b4a s ILE 130 N 2.11 4.07 -0.28 6.68 1.01 0.40 -1.09 121.20 134.10 1b4a s ILE 130 Ca 0.25 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 1b4a s ILE 130 Cb -0.16 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1b4a s ILE 130 CO 0.09 0.02 0.35 -0.63 0.00 0.00 0.00 174.94 174.78 1b4a s ILE 131 N 1.51 5.19 0.22 2.92 1.01 -0.01 -1.54 121.20 130.49 1b4a s ILE 131 Ca 0.02 0.45 0.06 0.00 0.00 0.00 0.00 60.65 61.18 1b4a s ILE 131 Cb -0.18 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1b4a s ILE 131 CO 0.03 0.13 0.18 0.00 0.00 0.00 0.00 174.94 175.28 1b4a h ARG 133 N 1.79 0.05 -3.95 0.00 2.43 -1.31 -3.44 114.38 109.96 1b4a h ARG 133 Ca -0.48 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 1b4a h ARG 133 Cb 1.23 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.66 1b4a h ARG 133 CO 0.62 0.04 -0.27 0.95 -1.51 0.00 0.00 179.97 179.79 1b4a s THR 134 N -6.20 0.00 0.32 0.20 -4.23 -1.26 -5.02 115.64 99.45 1b4a s THR 134 Ca -0.14 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1b4a s THR 134 Cb 0.15 -2.32 0.29 0.00 1.34 0.00 0.00 72.50 71.96 1b4a s THR 134 CO 0.71 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 176.07 1b4a h PRO 135 N 2.35 0.90 -0.58 3.99 0.11 -1.88 -0.72 132.00 136.17 1b4a h PRO 135 Ca -0.29 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 1b4a h PRO 135 Cb 1.25 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1b4a h PRO 135 CO 0.41 0.59 0.23 -0.22 -0.21 0.00 0.00 178.00 178.80 1b4a h LYS 136 N 0.93 0.86 -0.09 1.05 3.64 -1.97 -1.98 116.57 119.01 1b4a h LYS 136 Ca 0.36 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1b4a h LYS 136 Cb 0.23 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1b4a h LYS 136 CO -0.13 0.74 -0.36 -0.44 -2.27 0.00 0.00 179.45 176.99 1b4a h ASP 137 N 0.80 0.18 -0.48 4.20 3.32 -1.69 -2.19 116.42 120.56 1b4a h ASP 137 Ca 0.19 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1b4a h ASP 137 Cb 0.20 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1b4a h ASP 137 CO -0.02 0.53 0.07 0.00 -1.72 0.00 0.00 179.24 178.10 1b4a h ALA 138 N 1.48 0.64 -0.30 3.45 0.00 -0.69 -1.42 119.26 122.42 1b4a h ALA 138 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1b4a h ALA 138 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1b4a h ALA 138 CO 0.05 0.38 0.17 -0.22 0.00 0.00 0.00 179.25 179.63 1b4a h LYS 139 N 0.67 0.42 -0.23 0.00 3.64 -1.09 -0.91 116.57 119.07 1b4a h LYS 139 Ca 0.14 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1b4a h LYS 139 Cb 0.41 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1b4a h LYS 139 CO 0.01 0.36 -0.06 0.87 -2.27 0.00 0.00 179.45 178.36 1b4a h LYS 140 N 0.37 -0.01 -0.84 1.90 1.57 -1.19 -1.71 116.57 116.66 1b4a h LYS 140 Ca 0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1b4a h LYS 140 Cb 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1b4a h LYS 140 CO -0.02 -0.00 0.42 0.28 -0.57 0.00 0.00 179.45 179.56 1b4a h VAL 141 N -0.01 1.26 -0.03 0.50 2.07 -1.06 -1.76 116.25 117.22 1b4a h VAL 141 Ca 0.11 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1b4a h VAL 141 Cb 0.17 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1b4a h VAL 141 CO -0.24 0.30 -0.06 -1.28 0.02 0.00 0.00 177.57 176.32 1b4a h SER 142 N 1.19 -0.17 -0.23 0.57 0.87 -0.66 -0.49 113.55 114.64 1b4a h SER 142 Ca 0.29 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1b4a h SER 142 Cb 0.09 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1b4a h SER 142 CO -0.04 -0.08 0.15 0.78 -0.53 0.00 0.00 176.83 177.11 1b4a h ASN 143 N -0.08 0.25 -0.68 6.23 2.35 -1.16 -0.27 115.58 122.21 1b4a h ASN 143 Ca 0.04 -0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1b4a h ASN 143 Cb 0.13 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 1b4a h ASN 143 CO -0.08 0.18 0.34 -0.61 -1.65 0.00 0.00 177.43 175.60 1b4a h GLN 144 N 0.30 0.57 -0.12 0.81 5.75 -1.04 -0.45 115.11 120.93 1b4a h GLN 144 Ca 0.09 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1b4a h GLN 144 Cb -0.03 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.39 1b4a h GLN 144 CO -0.03 0.38 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.41 1b4a h LEU 145 N 0.59 0.26 -1.41 -2.39 3.38 -0.68 -3.13 115.31 111.92 1b4a h LEU 145 Ca 0.33 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1b4a h LEU 145 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1b4a h LEU 145 CO -0.26 0.60 -0.24 -0.07 0.09 0.00 0.00 178.44 178.57 1b4a h LEU 146 N -0.08 0.08 -0.29 1.67 3.38 -0.82 -1.84 115.31 117.42 1b4a h LEU 146 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1b4a h LEU 146 Cb 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1b4a h LEU 146 CO 0.02 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 177.33 1b4a n SER 147 N -4.22 0.32 0.03 -0.43 3.41 -0.20 -1.83 113.62 110.69 1b4a n SER 147 Ca -0.02 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1b4a n SER 147 Cb 0.31 -0.64 0.41 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.84 0.09 0.00 4.33 2.81 -0.69 -5.09 117.12 116.73 1b4a n MET 148 Ca 0.03 0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.10 1b4a n MET 148 Cb 0.22 -1.58 0.37 0.00 -0.71 0.00 0.00 33.22 31.52 1b4a n MET 148 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76