#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2y s THR 2 N 0.00 3.83 0.00 2.03 -4.23 -1.26 -4.32 115.64 111.69 2a2y s THR 2 Ca 0.00 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2a2y s THR 2 Cb 0.00 -4.68 0.00 0.00 1.34 0.00 0.00 72.50 69.16 2a2y s THR 2 CO 0.00 -1.44 0.00 -0.62 -0.54 0.00 0.00 174.62 172.02 2a2y n GLU 3 N 8.83 0.00 -2.74 3.99 1.02 -1.26 -4.82 120.64 125.66 2a2y n GLU 3 Ca 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.14 2a2y n GLU 3 Cb 0.49 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.00 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 -2.28 1.12 -2.67 3.49 2.85 -1.26 -1.63 118.16 117.79 2a2y n LYS 4 Ca 0.00 -2.11 -0.05 0.00 -1.05 0.00 0.00 58.31 55.10 2a2y n LYS 4 Cb 0.00 -0.60 0.02 0.00 -0.65 0.00 0.00 35.03 33.81 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 -0.18 -1.36 -4.54 -5.58 7.94 -1.26 -4.55 117.00 107.49 2a2y n LEU 5 Ca 0.03 -2.27 -0.42 0.00 -1.11 0.00 0.00 56.01 52.23 2a2y n LEU 5 Cb 0.79 0.61 -0.07 0.00 0.53 0.00 0.00 43.42 45.28 2a2y n LEU 5 CO 0.01 1.36 0.36 0.20 -1.11 0.00 0.00 177.39 178.21 2a2y s ASN 6 N -0.47 6.35 -0.31 1.96 -0.87 -1.11 -4.97 114.94 115.52 2a2y s ASN 6 Ca 0.09 -0.18 -0.19 0.00 -1.57 0.00 0.00 52.86 51.00 2a2y s ASN 6 Cb 0.16 -2.32 -0.01 0.00 -0.02 0.00 0.00 41.25 39.06 2a2y s ASN 6 CO -0.04 -0.70 0.58 -1.83 -2.57 0.00 0.00 177.10 172.54 2a2y s GLU 7 N 2.74 3.84 0.09 -0.60 -1.05 -1.26 -1.63 118.70 120.83 2a2y s GLU 7 Ca 0.23 0.16 0.09 0.00 -0.15 0.00 0.00 54.97 55.30 2a2y s GLU 7 Cb -0.14 -3.74 -0.03 0.00 -0.44 0.00 0.00 34.13 29.77 2a2y s GLU 7 CO 0.17 -0.56 -0.24 0.42 0.95 0.00 0.00 175.26 176.00 2a2y s ILE 8 N 2.50 1.96 -0.16 1.83 1.01 0.22 -4.89 121.20 123.67 2a2y s ILE 8 Ca 0.23 -1.52 -0.02 0.00 0.00 0.00 0.00 60.65 59.34 2a2y s ILE 8 Cb -0.15 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 2a2y s ILE 8 CO 0.12 0.12 -0.08 0.54 0.00 0.00 0.00 174.94 175.64 2a2y s VAL 9 N -0.99 3.43 0.55 2.92 0.11 -1.26 -1.84 120.40 123.32 2a2y s VAL 9 Ca 0.10 -0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 58.60 2a2y s VAL 9 Cb -0.10 -2.49 0.01 0.00 -1.53 0.00 0.00 36.38 32.27 2a2y s VAL 9 CO 0.04 0.49 0.83 0.54 -3.33 0.00 0.00 175.10 173.68 2a2y s VAL 10 N 0.56 3.70 0.29 2.04 0.11 -0.18 -4.84 120.40 122.07 2a2y s VAL 10 Ca -0.05 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 2a2y s VAL 10 Cb -0.15 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2a2y s VAL 10 CO 0.03 -0.41 0.19 -0.13 -3.33 0.00 0.00 175.10 171.45 2a2y s ARG 11 N -4.87 1.55 0.00 1.54 0.52 -1.26 -4.72 118.95 111.72 2a2y s ARG 11 Ca 0.52 -1.88 0.11 0.00 -0.52 0.00 0.00 55.73 53.97 2a2y s ARG 11 Cb -0.10 0.11 -0.09 0.00 0.52 0.00 0.00 34.95 35.39 2a2y s ARG 11 CO 0.43 -0.50 0.55 0.36 0.02 0.00 0.00 175.30 176.16 2a2y n LYS 12 N -0.52 2.86 0.02 3.54 -0.00 -1.26 -4.21 118.16 118.59 2a2y n LYS 12 Ca 0.03 -0.20 0.12 0.00 -0.00 0.00 0.00 58.31 58.25 2a2y n LYS 12 Cb 0.64 -1.07 0.18 0.00 -0.00 0.00 0.00 35.03 34.78 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 -0.95 0.14 0.00 0.58 5.66 -1.26 -4.77 114.28 113.68 2a2y n THR 13 Ca 0.03 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2a2y n THR 13 Cb 0.20 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 2a2y n THR 13 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2a2y n LYS 14 N -1.77 0.14 -3.48 1.09 4.81 -1.26 -5.13 118.16 112.56 2a2y n LYS 14 Ca 0.04 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.34 2a2y n LYS 14 Cb 0.39 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.40 2a2y n LYS 14 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2a2y s ASN 15 N -1.00 -0.56 0.29 3.14 -0.87 -1.26 -4.96 114.94 109.71 2a2y s ASN 15 Ca 0.00 0.31 -0.01 0.00 -1.57 0.00 0.00 52.86 51.59 2a2y s ASN 15 Cb 0.00 0.52 0.42 0.00 -0.02 0.00 0.00 41.25 42.17 2a2y s ASN 15 CO 0.00 -0.73 1.87 -0.37 -2.57 0.00 0.00 177.10 175.30 2a2y h VAL 16 N 2.44 1.22 -0.00 1.60 -1.51 -1.95 -1.57 116.25 116.47 2a2y h VAL 16 Ca -0.28 -0.69 -0.18 0.00 -1.23 0.00 0.00 66.70 64.32 2a2y h VAL 16 Cb 1.22 0.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.86 2a2y h VAL 16 CO 0.37 0.27 -0.83 1.05 -1.23 0.00 0.00 177.57 177.20 2a2y h GLU 17 N 0.87 0.11 -0.12 5.19 4.11 -1.98 -2.52 114.58 120.24 2a2y h GLU 17 Ca 0.21 -0.12 -0.07 0.00 0.07 0.00 0.00 59.36 59.44 2a2y h GLU 17 Cb 0.18 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2a2y h GLU 17 CO -0.02 0.88 -0.25 0.22 0.07 0.00 0.00 179.01 179.91 2a2y h ASP 18 N 0.06 0.22 0.90 3.06 1.82 -1.68 -0.26 116.42 120.54 2a2y h ASP 18 Ca -0.03 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2a2y h ASP 18 Cb 1.45 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.40 2a2y h ASP 18 CO 0.12 0.48 -0.97 1.41 -1.61 0.00 0.00 179.24 178.67 2a2y n HIS 19 N -4.16 0.81 0.09 0.28 8.25 -0.87 -2.25 115.22 117.37 2a2y n HIS 19 Ca -0.01 0.24 -0.06 0.00 -0.26 0.00 0.00 57.72 57.63 2a2y n HIS 19 Cb 0.36 -0.85 0.07 0.00 1.12 0.00 0.00 29.99 30.68 2a2y n HIS 19 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2a2y h VAL 20 N 0.00 1.46 0.16 1.59 3.04 -1.10 0.84 116.25 122.24 2a2y h VAL 20 Ca 0.00 -2.34 -0.01 0.00 -1.01 0.00 0.00 66.70 63.35 2a2y h VAL 20 Cb 0.93 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 2a2y h VAL 20 CO 0.00 0.68 -0.08 -0.07 -1.01 0.00 0.00 177.57 177.09 2a2y h LEU 21 N 0.11 -0.18 -1.50 3.16 3.38 -1.06 -1.34 115.31 117.88 2a2y h LEU 21 Ca -0.02 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2a2y h LEU 21 Cb 1.30 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2a2y h LEU 21 CO 0.11 0.27 -0.26 -0.78 0.09 0.00 0.00 178.44 177.88 2a2y h ASP 22 N -0.69 0.00 0.25 -0.43 3.58 -1.43 -1.61 116.42 116.09 2a2y h ASP 22 Ca -0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2a2y h ASP 22 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2a2y h ASP 22 CO 0.04 0.26 -0.12 0.58 -2.88 0.00 0.00 179.24 177.11 2a2y h VAL 23 N 0.00 0.75 0.00 2.25 2.07 -0.74 -1.93 116.25 118.65 2a2y h VAL 23 Ca -0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2a2y h VAL 23 Cb 0.49 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2a2y h VAL 23 CO 0.03 0.15 0.00 -0.29 0.02 0.00 0.00 177.57 177.48 2a2y h ILE 24 N -0.78 0.00 0.02 4.57 2.10 -1.12 -2.25 117.51 120.05 2a2y h ILE 24 Ca -0.03 -0.12 -0.09 0.00 1.08 0.00 0.00 64.86 65.69 2a2y h ILE 24 Cb 0.50 0.88 0.01 0.00 -1.09 0.00 0.00 36.82 37.12 2a2y h ILE 24 CO 0.06 0.00 -0.38 0.58 -1.08 0.00 0.00 178.15 177.32 2a2y h VAL 25 N 0.00 1.55 -0.19 2.19 2.07 -0.93 -3.05 116.25 117.88 2a2y h VAL 25 Ca 0.00 -2.11 -0.08 0.00 0.82 0.00 0.00 66.70 65.33 2a2y h VAL 25 Cb 0.15 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2a2y h VAL 25 CO 0.00 0.59 -0.21 -0.07 0.02 0.00 0.00 177.57 177.89 2a2y h LEU 26 N -0.46 0.33 -1.98 2.57 3.38 -0.79 -0.42 115.31 117.94 2a2y h LEU 26 Ca -0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2a2y h LEU 26 Cb 1.17 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2a2y h LEU 26 CO 0.07 0.56 -0.10 0.15 0.09 0.00 0.00 178.44 179.21 2a2y h PHE 27 N 0.31 0.00 0.00 1.13 3.57 -1.52 0.02 116.94 120.45 2a2y h PHE 27 Ca 0.05 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2a2y h PHE 27 Cb 0.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2a2y h PHE 27 CO 0.01 0.10 -0.13 -0.97 -2.23 0.00 0.00 178.31 175.10 2a2y h ASN 28 N 0.00 0.00 0.23 0.41 -0.00 -0.95 -0.44 115.58 114.83 2a2y h ASN 28 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2a2y h ASN 28 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2a2y h ASN 28 CO 0.01 0.13 -0.23 0.00 -0.00 0.00 0.00 177.43 177.34 2a2y n GLN 29 N -4.00 0.88 0.00 6.67 6.02 -0.05 -4.88 117.38 122.03 2a2y n GLN 29 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 2a2y n GLN 29 Cb 0.21 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.98 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 1.33 1.36 3.58 1.08 0.00 -0.17 -4.91 105.19 107.46 2a2y n GLY 30 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.78 -0.09 -0.61 -1.09 -0.96 -4.37 121.20 115.87 2a2y s ILE 31 Ca 0.00 0.71 -0.01 0.00 -2.23 0.00 0.00 60.65 59.11 2a2y s ILE 31 Cb 0.00 -4.30 -0.26 0.00 -1.58 0.00 0.00 42.46 36.32 2a2y s ILE 31 CO 0.00 -1.00 0.50 0.44 -1.23 0.00 0.00 174.94 173.65 2a2y h ASP 32 N 11.27 0.31 -2.81 3.58 3.32 -1.64 -3.36 116.42 127.10 2a2y h ASP 32 Ca -0.27 -0.66 -0.66 0.00 0.02 0.00 0.00 57.03 55.46 2a2y h ASP 32 Cb 1.10 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.48 2a2y h ASP 32 CO 1.15 1.59 -0.51 -1.61 -1.72 0.00 0.00 179.24 178.14 2a2y s GLU 33 N -2.58 3.37 -0.15 3.56 2.02 -1.26 -1.10 118.70 122.56 2a2y s GLU 33 Ca -0.16 -0.27 -0.16 0.00 0.02 0.00 0.00 54.97 54.39 2a2y s GLU 33 Cb 0.07 -3.09 0.04 0.00 0.10 0.00 0.00 34.13 31.26 2a2y s GLU 33 CO 0.80 0.71 0.45 0.54 0.02 0.00 0.00 175.26 177.78 2a2y s VAL 34 N -1.17 0.01 -0.12 2.63 0.11 -0.58 -2.73 120.40 118.53 2a2y s VAL 34 Ca 0.21 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.24 2a2y s VAL 34 Cb -0.12 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2a2y s VAL 34 CO 0.11 -0.03 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.01 2a2y s ILE 35 N 0.02 1.97 -0.19 7.04 1.01 -0.64 -0.81 121.20 129.59 2a2y s ILE 35 Ca -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 2a2y s ILE 35 Cb -0.03 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2a2y s ILE 35 CO 0.01 0.54 -0.01 -0.76 0.00 0.00 0.00 174.94 174.72 2a2y s LEU 36 N 0.72 3.23 -0.15 2.97 1.02 0.69 0.70 118.68 127.86 2a2y s LEU 36 Ca -0.10 -0.20 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 2a2y s LEU 36 Cb -0.16 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 2a2y s LEU 36 CO 0.01 0.07 -0.03 -0.54 0.02 0.00 0.00 176.35 175.89 2a2y s LYS 37 N 0.94 3.58 0.04 1.70 1.02 -0.77 -1.40 119.74 124.85 2a2y s LYS 37 Ca 0.01 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.52 2a2y s LYS 37 Cb -0.14 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 2a2y s LYS 37 CO 0.02 0.32 -0.06 0.20 -0.92 0.00 0.00 175.35 174.91 2a2y s GLY 38 N 0.16 0.46 -0.01 -3.33 0.00 -0.90 -1.01 107.32 102.69 2a2y s GLY 38 Ca -0.01 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.89 2a2y s GLY 38 CO 0.03 -0.93 -0.10 -0.51 0.00 0.00 0.00 173.10 171.59 2a2y s THR 39 N -2.06 0.79 0.00 0.90 -4.23 -1.26 -1.49 115.64 108.29 2a2y s THR 39 Ca -0.06 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2a2y s THR 39 Cb -0.05 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.12 2a2y s THR 39 CO -0.02 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2a2y n GLY 40 N 2.88 0.25 0.07 3.99 0.00 0.98 -0.30 105.19 113.05 2a2y n GLY 40 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2a2y n GLY 40 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a2y h ARG 41 N 0.00 0.00 0.00 1.61 3.08 -1.95 -3.27 114.38 113.85 2a2y h ARG 41 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a2y h ARG 41 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2a2y h ARG 41 CO 0.00 0.58 0.02 0.93 -1.07 0.00 0.00 179.97 180.43 2a2y h GLU 42 N -1.00 0.00 -0.64 0.04 5.08 -0.94 -1.67 114.58 115.45 2a2y h GLU 42 Ca -0.04 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 2a2y h GLU 42 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2a2y h GLU 42 CO -0.03 0.00 0.45 0.97 -1.00 0.00 0.00 179.01 179.41 2a2y h ILE 43 N 0.00 0.72 0.00 3.13 2.10 -1.52 0.25 117.51 122.19 2a2y h ILE 43 Ca 0.00 -0.03 -0.06 0.00 1.08 0.00 0.00 64.86 65.85 2a2y h ILE 43 Cb 0.03 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 36.37 2a2y h ILE 43 CO 0.00 0.02 -0.77 0.28 -1.08 0.00 0.00 178.15 176.60 2a2y h SER 44 N 0.09 0.00 0.06 2.19 0.02 -1.48 -3.34 113.55 111.09 2a2y h SER 44 Ca 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2a2y h SER 44 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2a2y h SER 44 CO -0.03 0.25 -0.03 0.11 -1.14 0.00 0.00 176.83 175.99 2a2y h LYS 45 N 0.00 -0.08 -0.55 3.45 1.79 -0.60 -1.56 116.57 119.02 2a2y h LYS 45 Ca -0.04 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.64 2a2y h LYS 45 Cb 1.23 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.82 2a2y h LYS 45 CO 0.03 -0.06 0.32 0.00 -1.08 0.00 0.00 179.45 178.66 2a2y n ALA 46 N -2.05 0.55 -0.49 3.86 0.00 -0.92 -0.92 120.51 120.54 2a2y n ALA 46 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2a2y n ALA 46 Cb 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2a2y n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2a2y n VAL 47 N -3.83 0.00 -0.40 0.00 0.31 -1.00 -3.01 118.33 110.40 2a2y n VAL 47 Ca 0.18 0.57 -0.05 0.00 -0.01 0.00 0.00 64.34 65.03 2a2y n VAL 47 Cb 0.66 -1.24 -0.02 0.00 -0.91 0.00 0.00 33.84 32.33 2a2y n VAL 47 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2a2y n ASP 48 N -1.27 -0.81 -0.15 4.52 -0.08 -0.09 -0.17 116.55 118.50 2a2y n ASP 48 Ca 0.00 1.74 -0.07 0.00 -1.51 0.00 0.00 54.79 54.95 2a2y n ASP 48 Cb 0.00 -0.33 -0.01 0.00 2.34 0.00 0.00 41.12 43.12 2a2y n ASP 48 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2a2y h VAL 49 N 0.00 0.20 0.16 5.18 -1.51 -1.47 1.04 116.25 119.85 2a2y h VAL 49 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 2a2y h VAL 49 Cb 0.52 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 2a2y h VAL 49 CO -0.96 0.00 -0.15 0.22 -1.23 0.00 0.00 177.57 175.45 2a2y h TYR 50 N -0.22 -0.38 -0.15 5.19 5.03 -0.46 0.90 116.97 126.87 2a2y h TYR 50 Ca 0.19 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.55 2a2y h TYR 50 Cb 0.55 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.92 2a2y h TYR 50 CO -0.58 -0.23 -0.21 -0.97 -1.32 0.00 0.00 178.16 174.86 2a2y h ASN 51 N -0.33 -0.64 -0.37 -2.11 -1.24 0.61 2.38 115.58 113.88 2a2y h ASN 51 Ca -0.00 0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.14 2a2y h ASN 51 Cb 0.31 0.30 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 2a2y h ASN 51 CO -0.03 -0.25 0.25 0.77 -1.29 0.00 0.00 177.43 176.88 2a2y h SER 52 N -0.25 0.37 1.41 1.15 4.64 0.15 1.30 113.55 122.32 2a2y h SER 52 Ca 0.11 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 2a2y h SER 52 Cb 0.41 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2a2y h SER 52 CO -0.30 0.26 -0.49 0.25 -0.87 0.00 0.00 176.83 175.69 2a2y h LEU 53 N 0.44 0.00 0.10 5.97 5.85 0.50 -2.75 115.31 125.42 2a2y h LEU 53 Ca 0.14 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 2a2y h LEU 53 Cb 0.04 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.09 2a2y h LEU 53 CO -0.03 0.49 -0.67 0.50 -0.34 0.00 0.00 178.44 178.39 2a2y h LYS 54 N 0.00 0.28 0.00 1.25 1.63 0.61 -2.63 116.57 117.71 2a2y h LYS 54 Ca -0.00 -0.43 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2a2y h LYS 54 Cb 1.32 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.11 2a2y h LYS 54 CO 0.06 1.18 0.07 -3.47 -3.45 0.00 0.00 179.45 173.84 2a2y n ASP 55 N -4.21 0.00 -0.03 4.20 2.03 0.42 -0.79 116.55 118.18 2a2y n ASP 55 Ca -0.13 0.33 -0.14 0.00 0.52 0.00 0.00 54.79 55.38 2a2y n ASP 55 Cb 0.75 -0.33 -0.10 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.11 0.00 -0.67 9.65 -1.16 -3.45 114.38 118.87 2a2y h ARG 56 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2a2y h ARG 56 Cb 0.14 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2a2y h ARG 56 CO 0.00 0.68 0.00 -0.11 2.80 0.00 0.00 179.97 183.34 2a2y n LEU 57 N -4.70 0.00 0.00 3.80 7.94 -0.35 -5.01 117.00 118.69 2a2y n LEU 57 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2a2y n LEU 57 Cb 0.35 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.30 2a2y n LEU 57 CO 0.36 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 2a2y n GLY 58 N -0.08 0.24 0.20 -3.96 0.00 0.03 -4.12 105.19 97.51 2a2y n GLY 58 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.79 -0.60 1.61 1.82 -1.95 -2.96 116.42 115.12 2a2y h ASP 59 Ca 0.00 -0.58 -0.29 0.00 -0.39 0.00 0.00 57.03 55.76 2a2y h ASP 59 Cb 0.00 -0.23 -0.18 0.00 0.68 0.00 0.00 39.33 39.60 2a2y h ASP 59 CO 0.00 1.24 0.37 0.61 -1.61 0.00 0.00 179.24 179.85 2a2y n GLY 60 N 0.54 3.46 3.40 -0.78 0.00 -1.26 -4.31 105.19 106.24 2a2y n GLY 60 Ca -0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.09 -0.02 0.08 1.61 1.01 -1.12 -3.34 120.40 116.53 2a2y s VAL 61 Ca 0.36 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2a2y s VAL 61 Cb 0.30 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2a2y s VAL 61 CO 0.07 0.02 -0.06 -1.10 0.00 0.00 0.00 175.10 174.04 2a2y s GLN 62 N 1.46 0.72 -0.35 2.72 -1.52 1.10 -4.58 119.66 119.22 2a2y s GLN 62 Ca -0.10 -1.21 -0.17 0.00 -1.95 0.00 0.00 55.36 51.93 2a2y s GLN 62 Cb -0.07 -0.10 -0.00 0.00 -0.22 0.00 0.00 33.01 32.61 2a2y s GLN 62 CO -0.15 -0.03 0.47 -1.17 -0.25 0.00 0.00 175.29 174.16 2a2y s LEU 63 N -2.78 4.41 -0.05 2.90 0.20 -1.26 0.31 118.68 122.40 2a2y s LEU 63 Ca 0.07 -0.13 0.21 0.00 0.69 0.00 0.00 54.13 54.97 2a2y s LEU 63 Cb 0.04 -2.51 -0.30 0.00 -0.43 0.00 0.00 46.19 42.98 2a2y s LEU 63 CO -0.05 -0.46 0.43 1.33 -0.29 0.00 0.00 176.35 177.31 2a2y n VAL 64 N 5.39 0.33 -3.59 1.68 0.24 -1.26 -4.83 118.33 116.29 2a2y n VAL 64 Ca -0.06 -0.58 -0.06 0.00 -2.04 0.00 0.00 64.34 61.61 2a2y n VAL 64 Cb 0.49 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 2a2y n VAL 64 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2a2y s ASN 65 N -4.78 -0.19 -0.28 -1.34 3.84 -1.26 -4.99 114.94 105.94 2a2y s ASN 65 Ca -0.08 0.07 -0.17 0.00 0.21 0.00 0.00 52.86 52.89 2a2y s ASN 65 Cb 0.12 0.19 0.08 0.00 -0.55 0.00 0.00 41.25 41.09 2a2y s ASN 65 CO 0.89 -0.28 0.69 -0.69 -2.79 0.00 0.00 177.10 174.91 2a2y s VAL 66 N -2.11 -0.00 0.05 -5.21 1.01 -1.26 0.79 120.40 113.66 2a2y s VAL 66 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2a2y s VAL 66 Cb -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2a2y s VAL 66 CO -0.05 0.00 0.03 -1.58 0.00 0.00 0.00 175.10 173.51 2a2y s GLN 67 N 1.52 0.61 0.04 2.72 0.74 0.18 -4.99 119.66 120.48 2a2y s GLN 67 Ca -0.09 -1.00 0.04 0.00 0.05 0.00 0.00 55.36 54.36 2a2y s GLN 67 Cb -0.05 0.22 -0.02 0.00 1.10 0.00 0.00 33.01 34.26 2a2y s GLN 67 CO -0.18 -0.14 -0.11 0.95 -0.55 0.00 0.00 175.29 175.26 2a2y s THR 68 N -3.32 0.87 -0.22 -0.34 -4.23 -1.26 0.18 115.64 107.32 2a2y s THR 68 Ca 0.01 -1.01 -0.32 0.00 -1.18 0.00 0.00 61.69 59.19 2a2y s THR 68 Cb 0.03 -0.83 0.16 0.00 1.34 0.00 0.00 72.50 73.20 2a2y s THR 68 CO -0.08 -0.15 1.22 -0.83 -0.54 0.00 0.00 174.62 174.24 2a2y s GLY 69 N -1.30 -0.15 0.40 3.99 0.00 -0.76 -4.96 107.32 104.55 2a2y s GLY 69 Ca -0.03 2.14 0.08 0.00 0.00 0.00 0.00 44.72 46.91 2a2y s GLY 69 CO 0.01 0.84 0.45 -1.35 0.00 0.00 0.00 173.10 173.05 2a2y s SER 70 N -1.54 5.36 0.17 1.64 1.04 -1.26 -1.30 113.70 117.82 2a2y s SER 70 Ca 0.07 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.82 2a2y s SER 70 Cb -0.01 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.43 2a2y s SER 70 CO -0.05 -0.65 0.36 -1.83 0.98 0.00 0.00 173.24 172.06 2a2y s GLU 71 N -4.20 1.22 -0.84 4.02 4.04 -0.05 -4.88 118.70 118.01 2a2y s GLU 71 Ca 0.50 -1.06 -0.17 0.00 0.04 0.00 0.00 54.97 54.27 2a2y s GLU 71 Cb -0.06 0.42 0.16 0.00 0.02 0.00 0.00 34.13 34.67 2a2y s GLU 71 CO 0.30 -0.47 0.94 0.08 -1.84 0.00 0.00 175.26 174.27 2a2y s VAL 72 N -3.93 5.03 -0.39 1.83 1.01 -1.26 -1.25 120.40 121.44 2a2y s VAL 72 Ca 0.14 -1.77 -0.18 0.00 0.00 0.00 0.00 61.98 60.17 2a2y s VAL 72 Cb 0.02 -4.63 0.01 0.00 0.00 0.00 0.00 36.38 31.78 2a2y s VAL 72 CO -0.01 -1.29 0.49 -0.60 0.00 0.00 0.00 175.10 173.68 2a2y s ARG 73 N 1.86 3.34 -0.16 2.72 3.52 0.14 -4.14 118.95 126.23 2a2y s ARG 73 Ca 0.24 -0.48 -0.01 0.00 -0.13 0.00 0.00 55.73 55.36 2a2y s ARG 73 Cb -0.10 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 2a2y s ARG 73 CO -0.07 -0.78 0.13 -3.47 -0.81 0.00 0.00 175.30 170.30 2a2y n ASP 74 N 5.74 -2.48 -2.25 -2.12 -0.08 -1.26 -3.19 116.55 110.91 2a2y n ASP 74 Ca -0.06 -0.06 -0.20 0.00 -1.51 0.00 0.00 54.79 52.96 2a2y n ASP 74 Cb 0.48 -1.02 -0.01 0.00 2.34 0.00 0.00 41.12 42.91 2a2y n ASP 74 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2a2y n ARG 75 N -1.02 -1.60 -3.83 -0.67 3.00 -1.26 -4.96 116.66 106.33 2a2y n ARG 75 Ca 0.00 0.99 -0.12 0.00 -0.01 0.00 0.00 57.85 58.71 2a2y n ARG 75 Cb 0.51 -5.59 -0.11 0.00 0.00 0.00 0.00 32.46 27.27 2a2y n ARG 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2a2y s ARG 76 N -4.93 0.38 -0.11 5.56 6.06 -1.19 -5.11 118.95 119.61 2a2y s ARG 76 Ca 0.00 -0.04 -0.25 0.00 -2.50 0.00 0.00 55.73 52.94 2a2y s ARG 76 Cb 0.00 0.17 -0.02 0.00 0.06 0.00 0.00 34.95 35.15 2a2y s ARG 76 CO 0.00 -0.08 0.82 1.03 -2.50 0.00 0.00 175.30 174.57 2a2y s ARG 77 N -0.64 4.38 0.03 5.12 1.81 -1.26 0.25 118.95 128.64 2a2y s ARG 77 Ca -0.07 1.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.99 2a2y s ARG 77 Cb -0.04 -3.52 -0.02 0.00 -0.45 0.00 0.00 34.95 30.92 2a2y s ARG 77 CO 0.01 -0.17 -0.07 -1.50 -0.68 0.00 0.00 175.30 172.90 2a2y s ILE 78 N 1.57 0.47 0.45 1.52 2.07 -0.38 -4.92 121.20 121.97 2a2y s ILE 78 Ca 0.40 -0.85 -0.04 0.00 -1.41 0.00 0.00 60.65 58.75 2a2y s ILE 78 Cb -0.18 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 41.87 2a2y s ILE 78 CO 0.16 -0.27 0.73 -0.94 -1.91 0.00 0.00 174.94 172.72 2a2y s SER 79 N -1.21 6.29 0.03 4.50 1.04 -1.26 -0.87 113.70 122.21 2a2y s SER 79 Ca -0.08 0.84 -0.09 0.00 0.48 0.00 0.00 55.95 57.11 2a2y s SER 79 Cb -0.08 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2a2y s SER 79 CO 0.00 -0.51 0.17 -0.72 0.98 0.00 0.00 173.24 173.17 2a2y s TYR 80 N -2.63 0.06 -0.06 5.02 -0.85 -0.42 -0.01 117.35 118.46 2a2y s TYR 80 Ca 0.46 -0.24 0.04 0.00 -0.52 0.00 0.00 57.07 56.80 2a2y s TYR 80 Cb -0.10 -0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.20 2a2y s TYR 80 CO 0.42 -0.38 -0.18 -1.50 -1.52 0.00 0.00 175.55 172.39 2a2y s ILE 81 N -2.21 1.52 -0.23 -3.49 2.07 -0.56 -1.83 121.20 116.47 2a2y s ILE 81 Ca -0.08 -0.73 -0.06 0.00 -1.41 0.00 0.00 60.65 58.36 2a2y s ILE 81 Cb -0.03 -1.32 -0.03 0.00 0.13 0.00 0.00 42.46 41.21 2a2y s ILE 81 CO -0.02 0.44 0.04 -0.76 -1.91 0.00 0.00 174.94 172.72 2a2y s LEU 82 N 0.27 3.34 -0.10 8.50 1.43 0.49 -2.13 118.68 130.48 2a2y s LEU 82 Ca -0.10 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2a2y s LEU 82 Cb -0.14 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2a2y s LEU 82 CO 0.04 0.00 -0.10 -0.22 0.23 0.00 0.00 176.35 176.30 2a2y s LEU 83 N 1.39 1.42 0.46 1.79 0.20 -0.49 0.48 118.68 123.91 2a2y s LEU 83 Ca 0.05 -0.32 0.06 0.00 0.69 0.00 0.00 54.13 54.60 2a2y s LEU 83 Cb -0.15 -0.87 0.02 0.00 -0.43 0.00 0.00 46.19 44.76 2a2y s LEU 83 CO 0.02 -0.05 0.63 -0.60 -0.29 0.00 0.00 176.35 176.06 2a2y s ARG 84 N 1.28 2.75 -0.26 1.98 3.52 0.24 -0.22 118.95 128.23 2a2y s ARG 84 Ca -0.03 -1.07 -0.25 0.00 -0.13 0.00 0.00 55.73 54.26 2a2y s ARG 84 Cb -0.14 -2.67 0.07 0.00 -1.56 0.00 0.00 34.95 30.65 2a2y s ARG 84 CO -0.04 -0.40 0.71 -0.51 -0.81 0.00 0.00 175.30 174.25 2a2y s LEU 85 N -4.48 -0.71 0.06 -0.88 1.43 0.01 -4.25 118.68 109.86 2a2y s LEU 85 Ca 0.55 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 55.16 2a2y s LEU 85 Cb -0.10 2.43 -0.03 0.00 0.03 0.00 0.00 46.19 48.52 2a2y s LEU 85 CO 0.35 -0.25 -0.23 -0.75 0.23 0.00 0.00 176.35 175.70 2a2y s LYS 86 N 0.37 1.49 -0.11 1.70 2.36 0.92 -1.53 119.74 124.93 2a2y s LYS 86 Ca -0.00 -1.05 -0.05 0.00 -2.55 0.00 0.00 55.97 52.33 2a2y s LYS 86 Cb -0.05 -1.67 -0.04 0.00 -1.05 0.00 0.00 37.83 35.03 2a2y s LYS 86 CO 0.01 0.42 0.06 1.03 1.55 0.00 0.00 175.35 178.42 2a2y s ARG 87 N -1.34 3.29 0.00 4.03 1.81 -0.26 0.35 118.95 126.83 2a2y s ARG 87 Ca 0.09 -0.29 0.04 0.00 -1.72 0.00 0.00 55.73 53.84 2a2y s ARG 87 Cb -0.09 -3.00 -0.02 0.00 -0.45 0.00 0.00 34.95 31.39 2a2y s ARG 87 CO 0.02 0.68 0.30 0.28 -0.68 0.00 0.00 175.30 175.90 2a2y n VAL 88 N 2.26 0.00 -0.58 3.52 0.31 -1.21 -4.89 118.33 117.74 2a2y n VAL 88 Ca -0.19 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2a2y n VAL 88 Cb 0.54 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 34.50 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51