#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2y n THR 2 N 0.00 0.19 1.57 2.03 5.66 -1.26 -4.78 114.28 117.70 2a2y n THR 2 Ca 0.00 -0.55 0.15 0.00 -3.05 0.00 0.00 64.05 60.60 2a2y n THR 2 Cb 0.00 0.58 0.69 0.00 -1.55 0.00 0.00 70.33 70.04 2a2y n THR 2 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2a2y n GLU 3 N 0.02 0.93 -2.72 1.09 1.02 -1.26 -4.18 120.64 115.55 2a2y n GLU 3 Ca 0.03 -0.30 -0.08 0.00 -0.02 0.00 0.00 57.16 56.80 2a2y n GLU 3 Cb 0.83 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.86 2a2y n GLU 3 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2a2y n LYS 4 N -0.77 1.13 -2.43 3.49 2.85 -1.26 -2.07 118.16 119.10 2a2y n LYS 4 Ca 0.18 -1.91 -0.03 0.00 -1.05 0.00 0.00 58.31 55.50 2a2y n LYS 4 Cb 0.25 -0.45 0.02 0.00 -0.65 0.00 0.00 35.03 34.20 2a2y n LYS 4 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2a2y n LEU 5 N -0.22 -1.06 -4.53 -5.58 0.00 -1.25 -4.48 117.00 99.88 2a2y n LEU 5 Ca 0.01 -2.04 -0.43 0.00 0.00 0.00 0.00 56.01 53.56 2a2y n LEU 5 Cb 0.79 0.68 -0.07 0.00 0.00 0.00 0.00 43.42 44.82 2a2y n LEU 5 CO -0.03 1.29 0.40 0.21 0.00 0.00 0.00 177.39 179.26 2a2y s ASN 6 N -0.40 6.34 -0.25 1.96 2.47 -1.11 -4.96 114.94 118.99 2a2y s ASN 6 Ca 0.06 -0.27 -0.18 0.00 0.42 0.00 0.00 52.86 52.89 2a2y s ASN 6 Cb 0.14 -2.33 -0.03 0.00 -1.45 0.00 0.00 41.25 37.59 2a2y s ASN 6 CO -0.03 -0.77 0.53 -1.83 -3.72 0.00 0.00 177.10 171.27 2a2y s GLU 7 N 2.86 4.09 0.08 0.43 -1.05 -1.26 -2.05 118.70 121.80 2a2y s GLU 7 Ca 0.23 0.36 0.08 0.00 -0.15 0.00 0.00 54.97 55.49 2a2y s GLU 7 Cb -0.14 -3.64 -0.03 0.00 -0.44 0.00 0.00 34.13 29.88 2a2y s GLU 7 CO 0.19 -0.33 -0.20 0.42 0.95 0.00 0.00 175.26 176.29 2a2y s ILE 8 N 2.24 1.66 -0.13 1.83 -1.09 0.18 -4.89 121.20 120.99 2a2y s ILE 8 Ca 0.22 -1.39 -0.02 0.00 -2.23 0.00 0.00 60.65 57.23 2a2y s ILE 8 Cb -0.16 -1.49 -0.02 0.00 -1.58 0.00 0.00 42.46 39.22 2a2y s ILE 8 CO 0.09 0.03 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.07 2a2y s VAL 9 N -1.02 3.54 0.46 2.92 1.01 -1.26 -1.70 120.40 124.36 2a2y s VAL 9 Ca 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2a2y s VAL 9 Cb -0.09 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 2a2y s VAL 9 CO 0.03 0.52 0.72 0.54 0.00 0.00 0.00 175.10 176.92 2a2y s VAL 10 N 0.16 4.41 0.28 2.92 0.11 0.26 -4.84 120.40 123.70 2a2y s VAL 10 Ca -0.04 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 2a2y s VAL 10 Cb -0.14 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 2a2y s VAL 10 CO 0.04 -0.55 0.17 0.00 -3.33 0.00 0.00 175.10 171.43 2a2y s ARG 11 N -4.64 1.51 -0.00 1.54 1.70 -1.26 -4.68 118.95 113.12 2a2y s ARG 11 Ca 0.47 -1.85 0.18 0.00 -0.47 0.00 0.00 55.73 54.07 2a2y s ARG 11 Cb -0.10 0.09 -0.21 0.00 -0.57 0.00 0.00 34.95 34.16 2a2y s ARG 11 CO 0.41 -0.47 0.74 0.36 -1.08 0.00 0.00 175.30 175.26 2a2y n LYS 12 N -0.50 0.95 0.00 3.89 -0.00 -1.26 -4.15 118.16 117.09 2a2y n LYS 12 Ca 0.03 -0.02 0.13 0.00 -0.00 0.00 0.00 58.31 58.45 2a2y n LYS 12 Cb 0.65 -1.37 0.44 0.00 -0.00 0.00 0.00 35.03 34.75 2a2y n LYS 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2a2y n THR 13 N -1.50 0.00 0.00 0.58 5.66 -1.26 -4.72 114.28 113.04 2a2y n THR 13 Ca 0.03 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2a2y n THR 13 Cb 0.30 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 2a2y n THR 13 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2a2y n LYS 14 N -1.36 0.00 -3.78 1.09 4.01 -1.26 -5.16 118.16 111.70 2a2y n LYS 14 Ca 0.08 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.87 2a2y n LYS 14 Cb 0.33 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 2a2y n LYS 14 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2a2y s ASN 15 N -0.97 -0.07 0.32 4.39 0.01 -1.26 -4.93 114.94 112.43 2a2y s ASN 15 Ca 0.00 -0.38 0.09 0.00 -0.71 0.00 0.00 52.86 51.85 2a2y s ASN 15 Cb 0.00 0.36 0.53 0.00 0.41 0.00 0.00 41.25 42.55 2a2y s ASN 15 CO 0.00 -0.69 1.74 -0.37 -1.51 0.00 0.00 177.10 176.27 2a2y h VAL 16 N 2.00 1.30 0.13 1.60 -1.51 -1.92 -2.91 116.25 114.94 2a2y h VAL 16 Ca -0.27 -1.47 -0.28 0.00 -1.23 0.00 0.00 66.70 63.45 2a2y h VAL 16 Cb 1.21 1.70 0.01 0.00 -2.13 0.00 0.00 31.29 32.09 2a2y h VAL 16 CO 0.30 0.43 -1.24 1.05 -1.23 0.00 0.00 177.57 176.88 2a2y h GLU 17 N 0.13 0.37 -0.62 5.19 4.11 -1.97 -2.27 114.58 119.53 2a2y h GLU 17 Ca 0.01 -0.58 0.12 0.00 0.07 0.00 0.00 59.36 58.98 2a2y h GLU 17 Cb 0.77 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2a2y h GLU 17 CO 0.06 1.26 0.42 0.22 0.07 0.00 0.00 179.01 181.03 2a2y h ASP 18 N 0.13 0.32 0.53 3.06 1.82 -1.87 0.60 116.42 121.01 2a2y h ASP 18 Ca -0.15 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 2a2y h ASP 18 Cb 1.95 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.90 2a2y h ASP 18 CO 0.21 0.18 -1.41 1.41 -1.61 0.00 0.00 179.24 178.03 2a2y n HIS 19 N -4.46 0.50 0.06 0.28 -0.00 -1.20 -2.01 115.22 108.39 2a2y n HIS 19 Ca 0.11 0.15 -0.08 0.00 -0.00 0.00 0.00 57.72 57.89 2a2y n HIS 19 Cb 0.43 -0.72 0.06 0.00 -0.00 0.00 0.00 29.99 29.77 2a2y n HIS 19 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2a2y h VAL 20 N 0.00 1.38 0.27 1.59 3.04 -0.48 0.54 116.25 122.60 2a2y h VAL 20 Ca 0.00 -2.06 -0.01 0.00 -1.01 0.00 0.00 66.70 63.62 2a2y h VAL 20 Cb 0.97 2.04 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 2a2y h VAL 20 CO 0.00 0.62 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.97 2a2y h LEU 21 N 0.25 -0.31 -1.47 3.16 3.38 0.07 -0.82 115.31 119.57 2a2y h LEU 21 Ca -0.02 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2a2y h LEU 21 Cb 1.21 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2a2y h LEU 21 CO 0.11 0.10 -0.24 -0.78 0.09 0.00 0.00 178.44 177.72 2a2y h ASP 22 N -0.79 0.00 0.08 -0.43 1.82 -1.35 -1.82 116.42 113.93 2a2y h ASP 22 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2a2y h ASP 22 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2a2y h ASP 22 CO 0.06 0.24 -0.04 0.58 -1.61 0.00 0.00 179.24 178.48 2a2y h VAL 23 N 0.00 1.17 0.00 2.25 2.07 0.17 -2.25 116.25 119.66 2a2y h VAL 23 Ca -0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2a2y h VAL 23 Cb 0.56 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2a2y h VAL 23 CO 0.03 0.30 0.00 -0.29 0.02 0.00 0.00 177.57 177.63 2a2y h ILE 24 N -0.73 0.00 -0.01 4.57 2.10 -1.03 -1.60 117.51 120.80 2a2y h ILE 24 Ca -0.01 -0.09 -0.14 0.00 1.08 0.00 0.00 64.86 65.70 2a2y h ILE 24 Cb 0.57 1.01 0.01 0.00 -1.09 0.00 0.00 36.82 37.32 2a2y h ILE 24 CO 0.02 0.00 -0.53 0.58 -1.08 0.00 0.00 178.15 177.14 2a2y h VAL 25 N 0.00 1.44 -0.32 2.19 2.07 -1.08 -3.05 116.25 117.48 2a2y h VAL 25 Ca 0.00 -2.02 -0.06 0.00 0.82 0.00 0.00 66.70 65.43 2a2y h VAL 25 Cb 0.09 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2a2y h VAL 25 CO 0.00 0.59 -0.07 -0.07 0.02 0.00 0.00 177.57 178.04 2a2y h LEU 26 N -0.14 0.51 -1.80 2.57 3.38 -0.70 -0.92 115.31 118.20 2a2y h LEU 26 Ca -0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2a2y h LEU 26 Cb 1.24 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2a2y h LEU 26 CO 0.11 0.63 -0.13 0.15 0.09 0.00 0.00 178.44 179.28 2a2y h PHE 27 N 0.50 0.00 0.00 1.13 3.57 -1.50 -1.03 116.94 119.61 2a2y h PHE 27 Ca 0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2a2y h PHE 27 Cb 0.43 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2a2y h PHE 27 CO 0.01 0.13 -0.11 -0.97 -2.23 0.00 0.00 178.31 175.15 2a2y h ASN 28 N 0.00 0.00 -0.07 0.41 -1.24 -1.05 -0.77 115.58 112.86 2a2y h ASN 28 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2a2y h ASN 28 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2a2y h ASN 28 CO 0.02 0.11 0.00 0.00 -1.29 0.00 0.00 177.43 176.27 2a2y n GLN 29 N -3.68 1.83 0.00 6.67 6.02 -0.43 -4.87 117.38 122.92 2a2y n GLN 29 Ca -0.02 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 2a2y n GLN 29 Cb 0.22 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.02 2a2y n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a2y n GLY 30 N 1.21 1.11 3.59 1.08 0.00 -0.30 -4.97 105.19 106.93 2a2y n GLY 30 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2a2y n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a2y s ILE 31 N -2.00 3.82 -0.17 -0.61 -1.09 -0.94 -4.40 121.20 115.82 2a2y s ILE 31 Ca 0.00 0.81 -0.06 0.00 -2.23 0.00 0.00 60.65 59.18 2a2y s ILE 31 Cb 0.00 -4.18 -0.23 0.00 -1.58 0.00 0.00 42.46 36.48 2a2y s ILE 31 CO 0.00 -0.79 0.16 0.47 -1.23 0.00 0.00 174.94 173.55 2a2y n ASP 32 N 9.21 2.06 -4.86 3.58 8.00 -0.88 -4.09 116.55 129.57 2a2y n ASP 32 Ca 0.17 0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.44 2a2y n ASP 32 Cb 0.48 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.78 2a2y n ASP 32 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2a2y s GLU 33 N -2.53 3.76 -0.16 -1.24 0.41 -1.26 -1.01 118.70 116.67 2a2y s GLU 33 Ca -0.27 0.21 -0.14 0.00 -0.41 0.00 0.00 54.97 54.36 2a2y s GLU 33 Cb 0.08 -3.13 0.05 0.00 -1.78 0.00 0.00 34.13 29.34 2a2y s GLU 33 CO 0.70 0.66 0.42 0.54 -0.49 0.00 0.00 175.26 177.09 2a2y s VAL 34 N -1.20 -0.01 -0.18 2.63 0.11 -0.18 -2.75 120.40 118.83 2a2y s VAL 34 Ca 0.26 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2a2y s VAL 34 Cb -0.15 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2a2y s VAL 34 CO 0.14 0.01 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.14 2a2y s ILE 35 N 0.49 2.58 -0.25 7.04 1.01 -0.87 -0.60 121.20 130.59 2a2y s ILE 35 Ca -0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 2a2y s ILE 35 Cb -0.04 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2a2y s ILE 35 CO -0.02 0.50 0.10 -0.76 0.00 0.00 0.00 174.94 174.76 2a2y s LEU 36 N 1.15 3.62 -0.12 2.97 1.02 0.23 0.47 118.68 128.03 2a2y s LEU 36 Ca 0.01 -0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.01 2a2y s LEU 36 Cb -0.14 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.06 2a2y s LEU 36 CO -0.06 -0.02 -0.04 -0.54 0.02 0.00 0.00 176.35 175.71 2a2y s LYS 37 N 1.57 3.27 0.18 1.70 1.02 -0.69 -1.50 119.74 125.29 2a2y s LYS 37 Ca 0.06 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.41 2a2y s LYS 37 Cb -0.15 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 2a2y s LYS 37 CO 0.05 0.46 0.43 0.20 -0.92 0.00 0.00 175.35 175.57 2a2y s GLY 38 N -0.24 0.12 0.02 -3.33 0.00 -0.90 -0.57 107.32 102.41 2a2y s GLY 38 Ca 0.04 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 2a2y s GLY 38 CO 0.02 -0.48 0.17 -0.51 0.00 0.00 0.00 173.10 172.30 2a2y s THR 39 N -3.91 0.10 0.00 0.90 -4.23 -1.26 -0.05 115.64 107.19 2a2y s THR 39 Ca 0.12 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 2a2y s THR 39 Cb 0.01 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.17 2a2y s THR 39 CO -0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 2a2y n GLY 40 N 1.07 0.29 0.07 3.99 0.00 -0.88 0.14 105.19 109.87 2a2y n GLY 40 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2a2y n GLY 40 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2a2y h ARG 41 N 0.00 0.00 -0.00 1.61 -0.00 -1.96 -3.30 114.38 110.73 2a2y h ARG 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2a2y h ARG 41 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2a2y h ARG 41 CO 0.00 0.57 0.00 0.93 -0.00 0.00 0.00 179.97 181.47 2a2y h GLU 42 N -1.00 0.00 -0.95 0.08 5.08 -0.58 -2.20 114.58 115.01 2a2y h GLU 42 Ca -0.05 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.48 2a2y h GLU 42 Cb 0.66 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 2a2y h GLU 42 CO -0.03 0.00 0.60 0.97 -1.00 0.00 0.00 179.01 179.55 2a2y h ILE 43 N 0.00 0.77 0.00 3.13 -0.00 -1.46 0.92 117.51 120.87 2a2y h ILE 43 Ca 0.00 -0.24 -0.12 0.00 -0.00 0.00 0.00 64.86 64.50 2a2y h ILE 43 Cb 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 36.82 36.82 2a2y h ILE 43 CO -0.00 0.13 -0.74 0.77 -0.00 0.00 0.00 178.15 178.31 2a2y h SER 44 N 0.70 0.00 0.06 2.19 4.64 -1.58 -3.20 113.55 116.35 2a2y h SER 44 Ca 0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2a2y h SER 44 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2a2y h SER 44 CO -0.27 0.54 -0.03 0.11 -0.87 0.00 0.00 176.83 176.32 2a2y h LYS 45 N 0.00 -0.07 -0.71 4.77 6.56 -0.91 -0.33 116.57 125.87 2a2y h LYS 45 Ca -0.04 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.74 2a2y h LYS 45 Cb 1.44 0.02 -0.13 0.00 -0.57 0.00 0.00 32.23 32.99 2a2y h LYS 45 CO 0.06 -0.05 -0.04 0.00 -2.06 0.00 0.00 179.45 177.37 2a2y n ALA 46 N -2.04 0.31 0.09 3.86 0.00 -0.62 0.50 120.51 122.60 2a2y n ALA 46 Ca -0.01 0.77 -0.03 0.00 0.00 0.00 0.00 53.44 54.16 2a2y n ALA 46 Cb 0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 2a2y n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2a2y h VAL 47 N 0.00 0.00 -0.74 0.00 2.07 -1.50 -1.71 116.25 114.37 2a2y h VAL 47 Ca 0.41 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 68.06 2a2y h VAL 47 Cb 0.78 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.41 2a2y h VAL 47 CO -0.69 0.00 -0.15 -0.78 0.02 0.00 0.00 177.57 175.97 2a2y h ASP 48 N -0.25 -0.63 -0.52 0.57 1.82 0.85 0.28 116.42 118.55 2a2y h ASP 48 Ca -0.02 0.22 0.08 0.00 -0.39 0.00 0.00 57.03 56.91 2a2y h ASP 48 Cb 0.17 0.44 -0.10 0.00 0.68 0.00 0.00 39.33 40.52 2a2y h ASP 48 CO 0.04 -0.23 -0.45 0.58 -1.61 0.00 0.00 179.24 177.56 2a2y h VAL 49 N 0.01 0.08 0.71 2.25 2.07 0.11 1.43 116.25 122.91 2a2y h VAL 49 Ca 0.36 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.85 2a2y h VAL 49 Cb 0.57 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2a2y h VAL 49 CO -0.74 0.00 -0.34 0.22 0.02 0.00 0.00 177.57 176.73 2a2y h TYR 50 N -0.27 -0.89 -0.48 1.57 3.20 0.28 0.57 116.97 120.95 2a2y h TYR 50 Ca 0.15 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.09 2a2y h TYR 50 Cb 0.57 0.29 -0.10 0.00 1.54 0.00 0.00 36.73 39.03 2a2y h TYR 50 CO -0.69 -0.53 -0.35 -0.97 -1.64 0.00 0.00 178.16 173.98 2a2y h ASN 51 N -1.11 -1.18 -0.50 -2.11 -1.24 -0.01 2.48 115.58 111.91 2a2y h ASN 51 Ca -0.10 0.21 0.02 0.00 0.71 0.00 0.00 56.30 57.14 2a2y h ASN 51 Cb 0.76 0.56 -0.03 0.00 0.73 0.00 0.00 38.32 40.34 2a2y h ASN 51 CO 0.16 -0.32 0.33 0.28 -1.29 0.00 0.00 177.43 176.59 2a2y h SER 52 N -0.23 0.54 1.54 1.15 0.02 0.20 0.73 113.55 117.50 2a2y h SER 52 Ca 0.19 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2a2y h SER 52 Cb 0.55 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2a2y h SER 52 CO -0.61 0.38 -0.15 0.25 -1.14 0.00 0.00 176.83 175.57 2a2y h LEU 53 N 0.63 0.00 0.06 5.07 5.85 0.63 -2.75 115.31 124.80 2a2y h LEU 53 Ca 0.19 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 2a2y h LEU 53 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.05 2a2y h LEU 53 CO -0.05 0.15 -0.48 0.50 -0.34 0.00 0.00 178.44 178.22 2a2y h LYS 54 N 0.00 0.23 0.00 1.25 3.11 0.70 -2.61 116.57 119.25 2a2y h LYS 54 Ca -0.00 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 2a2y h LYS 54 Cb 0.96 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2a2y h LYS 54 CO 0.02 1.09 0.02 -3.47 -2.81 0.00 0.00 179.45 174.31 2a2y n ASP 55 N -4.33 0.00 -0.02 4.20 2.03 0.22 -0.24 116.55 118.41 2a2y n ASP 55 Ca -0.12 0.27 -0.15 0.00 0.52 0.00 0.00 54.79 55.31 2a2y n ASP 55 Cb 0.65 -0.27 -0.11 0.00 -0.72 0.00 0.00 41.12 40.67 2a2y n ASP 55 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2a2y h ARG 56 N 0.00 0.19 0.00 -0.67 9.65 -1.16 -3.45 114.38 118.94 2a2y h ARG 56 Ca 0.00 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 2a2y h ARG 56 Cb 0.04 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2a2y h ARG 56 CO 0.00 0.94 0.00 -0.11 2.80 0.00 0.00 179.97 183.60 2a2y n LEU 57 N -4.48 0.00 0.00 3.80 7.94 -0.44 -5.01 117.00 118.81 2a2y n LEU 57 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2a2y n LEU 57 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2a2y n LEU 57 CO 0.40 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 2a2y n GLY 58 N -0.08 0.25 0.15 -3.96 0.00 0.67 -4.13 105.19 98.09 2a2y n GLY 58 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2a2y n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2a2y h ASP 59 N 0.00 0.54 -0.26 1.61 1.82 -1.95 -3.07 116.42 115.10 2a2y h ASP 59 Ca 0.00 -0.71 -0.11 0.00 -0.39 0.00 0.00 57.03 55.82 2a2y h ASP 59 Cb 0.00 -0.16 -0.06 0.00 0.68 0.00 0.00 39.33 39.78 2a2y h ASP 59 CO 0.00 1.17 0.14 0.61 -1.61 0.00 0.00 179.24 179.55 2a2y n GLY 60 N 0.91 2.51 3.41 -0.78 0.00 -1.26 -4.18 105.19 105.80 2a2y n GLY 60 Ca -0.09 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 2a2y n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a2y s VAL 61 N -1.14 -0.07 0.08 1.61 1.01 -1.16 -3.65 120.40 117.07 2a2y s VAL 61 Ca 0.17 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.22 2a2y s VAL 61 Cb 0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2a2y s VAL 61 CO 0.04 0.03 -0.06 -1.10 0.00 0.00 0.00 175.10 174.00 2a2y s GLN 62 N 1.58 0.71 -0.40 2.72 -1.52 0.95 -4.63 119.66 119.09 2a2y s GLN 62 Ca -0.09 -1.15 -0.19 0.00 -1.95 0.00 0.00 55.36 51.98 2a2y s GLN 62 Cb -0.07 -0.18 0.01 0.00 -0.22 0.00 0.00 33.01 32.55 2a2y s GLN 62 CO -0.15 -0.01 0.57 -1.17 -0.25 0.00 0.00 175.29 174.27 2a2y s LEU 63 N -2.59 4.48 -0.10 2.90 0.20 -1.26 0.28 118.68 122.59 2a2y s LEU 63 Ca 0.05 -0.24 0.17 0.00 0.69 0.00 0.00 54.13 54.80 2a2y s LEU 63 Cb 0.01 -2.63 -0.24 0.00 -0.43 0.00 0.00 46.19 42.90 2a2y s LEU 63 CO -0.04 -0.63 0.38 1.33 -0.29 0.00 0.00 176.35 177.11 2a2y n VAL 64 N 5.62 1.19 -3.55 1.68 0.24 -1.26 -4.84 118.33 117.40 2a2y n VAL 64 Ca -0.04 -0.76 -0.08 0.00 -2.04 0.00 0.00 64.34 61.42 2a2y n VAL 64 Cb 0.48 -0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 32.27 2a2y n VAL 64 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2a2y s ASN 65 N -5.51 -0.31 -0.27 -1.34 0.01 -1.26 -4.99 114.94 101.27 2a2y s ASN 65 Ca -0.07 0.14 -0.17 0.00 -0.71 0.00 0.00 52.86 52.04 2a2y s ASN 65 Cb 0.08 0.29 0.08 0.00 0.41 0.00 0.00 41.25 42.11 2a2y s ASN 65 CO 0.84 -0.42 0.68 -0.69 -1.51 0.00 0.00 177.10 175.99 2a2y s VAL 66 N -2.22 -0.00 0.12 1.60 1.01 -1.26 0.61 120.40 120.25 2a2y s VAL 66 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.97 2a2y s VAL 66 Cb -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2a2y s VAL 66 CO -0.05 0.00 0.15 -1.58 0.00 0.00 0.00 175.10 173.63 2a2y s GLN 67 N 1.46 0.93 0.02 2.72 0.74 0.29 -4.98 119.66 120.83 2a2y s GLN 67 Ca -0.09 -1.20 0.00 0.00 0.05 0.00 0.00 55.36 54.13 2a2y s GLN 67 Cb -0.05 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.34 2a2y s GLN 67 CO -0.17 -0.29 -0.03 0.95 -0.55 0.00 0.00 175.29 175.20 2a2y s THR 68 N -3.96 0.15 -0.16 -0.34 -4.23 -1.26 0.15 115.64 105.99 2a2y s THR 68 Ca 0.14 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.45 2a2y s THR 68 Cb 0.06 -0.29 0.12 0.00 1.34 0.00 0.00 72.50 73.72 2a2y s THR 68 CO -0.04 -0.48 0.94 -0.83 -0.54 0.00 0.00 174.62 173.67 2a2y s GLY 69 N -1.44 -0.31 0.37 3.99 0.00 -0.50 -4.93 107.32 104.50 2a2y s GLY 69 Ca -0.15 1.99 0.02 0.00 0.00 0.00 0.00 44.72 46.58 2a2y s GLY 69 CO -0.01 1.14 0.56 -1.35 0.00 0.00 0.00 173.10 173.44 2a2y s SER 70 N -0.91 6.07 0.28 1.64 1.04 -1.26 -0.94 113.70 119.62 2a2y s SER 70 Ca -0.03 0.24 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 2a2y s SER 70 Cb -0.01 -1.69 0.07 0.00 0.10 0.00 0.00 66.02 64.48 2a2y s SER 70 CO 0.02 -0.44 0.92 -1.83 0.98 0.00 0.00 173.24 172.89 2a2y s GLU 71 N -4.34 1.76 0.00 4.02 4.04 0.09 -4.86 118.70 119.41 2a2y s GLU 71 Ca 0.43 -1.13 -0.20 0.00 0.04 0.00 0.00 54.97 54.11 2a2y s GLU 71 Cb -0.10 0.49 -0.05 0.00 0.02 0.00 0.00 34.13 34.49 2a2y s GLU 71 CO 0.35 -0.82 0.59 0.08 -1.84 0.00 0.00 175.26 173.61 2a2y s VAL 72 N -2.22 4.90 -0.28 1.83 1.01 -1.26 -0.55 120.40 123.83 2a2y s VAL 72 Ca 0.19 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.40 2a2y s VAL 72 Cb -0.04 -3.92 0.15 0.00 0.00 0.00 0.00 36.38 32.57 2a2y s VAL 72 CO 0.08 0.43 0.39 -0.60 0.00 0.00 0.00 175.10 175.41 2a2y s ARG 73 N -0.28 0.39 0.00 2.72 3.52 0.50 -4.88 118.95 120.93 2a2y s ARG 73 Ca 0.31 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 2a2y s ARG 73 Cb -0.18 -0.37 0.00 0.00 -1.56 0.00 0.00 34.95 32.84 2a2y s ARG 73 CO 0.17 -0.94 0.00 -3.47 -0.81 0.00 0.00 175.30 170.25 2a2y n ASP 74 N 5.35 -0.78 -1.97 -2.12 2.03 -1.26 -3.98 116.55 113.83 2a2y n ASP 74 Ca -0.01 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 2a2y n ASP 74 Cb 0.49 -0.29 0.02 0.00 -0.72 0.00 0.00 41.12 40.62 2a2y n ASP 74 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a2y n ARG 75 N -0.75 -2.83 -3.56 -0.67 3.00 -1.26 -5.00 116.66 105.60 2a2y n ARG 75 Ca 0.00 0.61 -0.15 0.00 -0.01 0.00 0.00 57.85 58.31 2a2y n ARG 75 Cb 0.29 -4.84 -0.05 0.00 0.00 0.00 0.00 32.46 27.85 2a2y n ARG 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2a2y s ARG 76 N -5.18 1.04 0.11 5.56 0.52 -1.26 -5.14 118.95 114.61 2a2y s ARG 76 Ca 0.16 -0.12 -0.25 0.00 -0.52 0.00 0.00 55.73 55.01 2a2y s ARG 76 Cb -0.07 0.48 -0.07 0.00 0.52 0.00 0.00 34.95 35.81 2a2y s ARG 76 CO 0.20 -0.37 0.75 0.50 0.02 0.00 0.00 175.30 176.40 2a2y s ARG 77 N -2.15 4.51 0.08 3.54 3.52 -1.26 -0.37 118.95 126.81 2a2y s ARG 77 Ca -0.07 1.08 -0.08 0.00 -0.13 0.00 0.00 55.73 56.54 2a2y s ARG 77 Cb -0.01 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 2a2y s ARG 77 CO 0.01 0.47 0.17 -1.50 -0.81 0.00 0.00 175.30 173.64 2a2y s ILE 78 N -0.74 0.15 0.31 4.11 2.07 0.29 -4.90 121.20 122.49 2a2y s ILE 78 Ca 0.36 -1.24 -0.14 0.00 -1.41 0.00 0.00 60.65 58.22 2a2y s ILE 78 Cb -0.22 -1.35 -0.09 0.00 0.13 0.00 0.00 42.46 40.94 2a2y s ILE 78 CO 0.24 -0.69 0.71 -0.94 -1.91 0.00 0.00 174.94 172.35 2a2y s SER 79 N -2.85 6.76 0.00 4.50 1.04 -1.26 -0.73 113.70 121.16 2a2y s SER 79 Ca 0.05 1.23 0.03 0.00 0.48 0.00 0.00 55.95 57.73 2a2y s SER 79 Cb 0.05 -2.35 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 2a2y s SER 79 CO -0.11 -0.18 -0.09 -0.47 0.98 0.00 0.00 173.24 173.37 2a2y s TYR 80 N -1.95 0.82 -0.13 5.02 6.14 -0.12 -2.06 117.35 125.07 2a2y s TYR 80 Ca 0.53 -0.19 0.02 0.00 0.64 0.00 0.00 57.07 58.06 2a2y s TYR 80 Cb -0.10 -0.52 -0.00 0.00 0.42 0.00 0.00 41.96 41.76 2a2y s TYR 80 CO 0.18 -0.01 -0.19 -1.50 0.64 0.00 0.00 175.55 174.67 2a2y s ILE 81 N -0.34 2.45 -0.29 3.14 2.07 0.92 -1.40 121.20 127.75 2a2y s ILE 81 Ca 0.02 -0.86 -0.07 0.00 -1.41 0.00 0.00 60.65 58.33 2a2y s ILE 81 Cb -0.04 -2.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.55 2a2y s ILE 81 CO -0.00 0.54 0.09 -0.76 -1.91 0.00 0.00 174.94 172.89 2a2y s LEU 82 N 0.61 3.80 -0.08 8.50 1.43 0.39 -2.11 118.68 131.23 2a2y s LEU 82 Ca -0.10 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2a2y s LEU 82 Cb -0.16 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.17 2a2y s LEU 82 CO 0.03 -0.16 -0.10 -0.22 0.23 0.00 0.00 176.35 176.13 2a2y s LEU 83 N 1.54 1.49 0.41 1.79 2.96 -0.56 0.10 118.68 126.41 2a2y s LEU 83 Ca 0.04 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 2a2y s LEU 83 Cb -0.17 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 2a2y s LEU 83 CO 0.03 -0.02 0.47 -0.60 -1.32 0.00 0.00 176.35 174.91 2a2y s ARG 84 N 0.98 2.72 -0.17 1.98 3.52 0.20 0.76 118.95 128.95 2a2y s ARG 84 Ca -0.09 -1.35 -0.28 0.00 -0.13 0.00 0.00 55.73 53.88 2a2y s ARG 84 Cb -0.15 -2.59 0.08 0.00 -1.56 0.00 0.00 34.95 30.73 2a2y s ARG 84 CO 0.00 -0.20 0.77 -1.17 -0.81 0.00 0.00 175.30 173.89 2a2y s LEU 85 N -4.23 -0.64 0.04 -0.88 2.96 0.23 -4.23 118.68 111.93 2a2y s LEU 85 Ca 0.51 0.97 0.06 0.00 -0.22 0.00 0.00 54.13 55.45 2a2y s LEU 85 Cb -0.07 2.37 -0.02 0.00 0.50 0.00 0.00 46.19 48.96 2a2y s LEU 85 CO 0.30 -0.40 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.01 2a2y s LYS 86 N -0.45 1.15 -0.07 1.98 2.36 0.79 -1.01 119.74 124.48 2a2y s LYS 86 Ca -0.04 -0.86 -0.11 0.00 -2.55 0.00 0.00 55.97 52.41 2a2y s LYS 86 Cb -0.02 -1.22 -0.05 0.00 -1.05 0.00 0.00 37.83 35.49 2a2y s LYS 86 CO 0.04 0.31 0.26 1.03 1.55 0.00 0.00 175.35 178.54 2a2y s ARG 87 N -1.19 3.72 0.00 4.03 1.81 -0.18 0.32 118.95 127.46 2a2y s ARG 87 Ca 0.04 0.11 0.10 0.00 -1.72 0.00 0.00 55.73 54.27 2a2y s ARG 87 Cb -0.08 -3.23 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 2a2y s ARG 87 CO 0.02 0.69 0.55 0.28 -0.68 0.00 0.00 175.30 176.16 2a2y n VAL 88 N 2.08 0.00 -1.84 3.52 0.31 -1.24 -4.89 118.33 116.27 2a2y n VAL 88 Ca -0.17 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2a2y n VAL 88 Cb 0.54 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.54 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51