#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 0.00 0.00 1.12 -2.24 -1.26 -5.00 114.28 106.90 2a2y n THR 2 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a2y n THR 2 Cb 0.00 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2a2y n THR 2 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2a2y n GLU 3 N 0.00 0.00 -2.74 -0.78 2.13 -1.26 -3.74 120.64 114.25 2a2y n GLU 3 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2a2y n GLU 3 Cb 0.62 -0.05 0.09 0.00 0.27 0.00 0.00 31.44 32.37 2a2y n GLU 3 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2a2y n LYS 4 N 0.00 1.10 -2.64 5.31 2.85 -1.26 -3.03 118.16 120.49 2a2y n LYS 4 Ca 0.00 -2.03 -0.04 0.00 -1.05 0.00 0.00 58.31 55.18 2a2y n LYS 4 Cb 0.00 -0.67 0.02 0.00 -0.65 0.00 0.00 35.03 33.72 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 -0.06 -1.29 -4.58 -5.58 0.00 -1.24 -4.53 117.00 99.71 2a2y n LEU 5 Ca 0.04 -2.16 -0.41 0.00 0.00 0.00 0.00 56.01 53.47 2a2y n LEU 5 Cb 0.77 0.67 -0.07 0.00 0.00 0.00 0.00 43.42 44.78 2a2y n LEU 5 CO 0.01 1.31 0.36 0.20 0.00 0.00 0.00 177.39 179.27 2a2y s ASN 6 N -0.41 6.44 -0.34 1.96 -0.87 -1.14 -4.73 114.94 115.85 2a2y s ASN 6 Ca 0.07 0.25 -0.19 0.00 -1.57 0.00 0.00 52.86 51.43 2a2y s ASN 6 Cb 0.14 -2.32 -0.00 0.00 -0.02 0.00 0.00 41.25 39.04 2a2y s ASN 6 CO -0.03 -0.52 0.57 -1.83 -2.57 0.00 0.00 177.10 172.72 2a2y s GLU 7 N 2.62 3.72 -0.04 -0.60 -1.05 -1.26 -1.67 118.70 120.41 2a2y s GLU 7 Ca 0.24 0.02 0.05 0.00 -0.15 0.00 0.00 54.97 55.12 2a2y s GLU 7 Cb -0.15 -3.78 -0.02 0.00 -0.44 0.00 0.00 34.13 29.73 2a2y s GLU 7 CO 0.13 -0.64 -0.17 0.42 0.95 0.00 0.00 175.26 175.95 2a2y s ILE 8 N 2.53 2.80 -0.21 1.83 1.01 0.24 -4.89 121.20 124.52 2a2y s ILE 8 Ca 0.22 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2a2y s ILE 8 Cb -0.15 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2a2y s ILE 8 CO 0.13 0.59 0.03 0.54 0.00 0.00 0.00 174.94 176.23 2a2y s VAL 9 N -0.70 4.24 0.53 2.92 0.11 -1.26 -2.14 120.40 124.10 2a2y s VAL 9 Ca 0.11 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2a2y s VAL 9 Cb -0.10 -2.93 0.01 0.00 -1.53 0.00 0.00 36.38 31.82 2a2y s VAL 9 CO 0.00 0.41 0.80 0.54 -3.33 0.00 0.00 175.10 173.52 2a2y s VAL 10 N 1.01 3.71 0.28 2.04 0.11 -0.70 -4.90 120.40 121.95 2a2y s VAL 10 Ca 0.03 -0.25 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2a2y s VAL 10 Cb -0.14 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.25 2a2y s VAL 10 CO 0.02 -0.37 0.22 -0.13 -3.33 0.00 0.00 175.10 171.51 2a2y s ARG 11 N -4.80 1.53 0.00 1.54 0.52 -1.26 -4.75 118.95 111.73 2a2y s ARG 11 Ca 0.52 -1.85 0.19 0.00 -0.52 0.00 0.00 55.73 54.07 2a2y s ARG 11 Cb -0.10 0.31 -0.20 0.00 0.52 0.00 0.00 34.95 35.47 2a2y s ARG 11 CO 0.42 -0.55 0.83 0.36 0.02 0.00 0.00 175.30 176.38 2a2y n LYS 12 N -0.48 0.68 0.00 3.54 2.85 -1.26 -4.01 118.16 119.48 2a2y n LYS 12 Ca 0.05 -0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2a2y n LYS 12 Cb 0.64 -1.41 0.28 0.00 -0.65 0.00 0.00 35.03 33.89 2a2y n LYS 12 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2a2y n THR 13 N -1.38 0.00 0.00 0.58 5.66 -1.26 -4.79 114.28 113.10 2a2y n THR 13 Ca 0.04 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2a2y n THR 13 Cb 0.31 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 -1.13 0.90 -3.47 1.09 4.81 -1.26 -5.14 118.16 113.96 2a2y n LYS 14 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.42 2a2y n LYS 14 Cb 0.34 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.37 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 -0.46 0.22 3.14 -0.87 -1.26 -4.96 114.94 109.74 2a2y s ASN 15 Ca 0.00 0.02 -0.08 0.00 -1.57 0.00 0.00 52.86 51.23 2a2y s ASN 15 Cb 0.00 0.48 0.17 0.00 -0.02 0.00 0.00 41.25 41.89 2a2y s ASN 15 CO 0.00 -0.78 1.83 -0.37 -2.57 0.00 0.00 177.10 175.22 2a2y h VAL 16 N 2.03 1.24 0.03 1.60 -1.51 -1.92 -2.19 116.25 115.54 2a2y h VAL 16 Ca -0.28 -0.61 -0.21 0.00 -1.23 0.00 0.00 66.70 64.37 2a2y h VAL 16 Cb 1.27 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 2a2y h VAL 16 CO 0.34 0.27 -0.98 1.05 -1.23 0.00 0.00 177.57 177.03 2a2y h GLU 17 N 1.14 0.15 -0.09 5.19 4.11 -1.96 -2.30 114.58 120.82 2a2y h GLU 17 Ca 0.29 -0.20 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 2a2y h GLU 17 Cb 0.04 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2a2y h GLU 17 CO -0.05 1.01 -0.08 0.22 0.07 0.00 0.00 179.01 180.18 2a2y h ASP 18 N 0.07 0.12 0.41 3.06 1.82 -1.79 0.20 116.42 120.30 2a2y h ASP 18 Ca -0.05 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2a2y h ASP 18 Cb 1.66 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.64 2a2y h ASP 18 CO 0.15 0.23 -1.31 1.41 -1.61 0.00 0.00 179.24 178.11 2a2y n HIS 19 N -4.37 0.33 0.10 0.28 8.25 -0.89 -2.31 115.22 116.62 2a2y n HIS 19 Ca -0.01 0.10 -0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2a2y n HIS 19 Cb 0.20 -0.55 0.07 0.00 1.12 0.00 0.00 29.99 30.84 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 0.14 1.59 3.04 -0.79 0.31 116.25 122.00 2a2y h VAL 20 Ca 0.00 -2.33 -0.01 0.00 -1.01 0.00 0.00 66.70 63.36 2a2y h VAL 20 Cb 0.86 2.25 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 2a2y h VAL 20 CO 0.00 0.68 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.10 2a2y h LEU 21 N 0.10 -0.16 -1.30 3.16 3.38 -0.68 -0.92 115.31 118.89 2a2y h LEU 21 Ca -0.02 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2a2y h LEU 21 Cb 1.28 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2a2y h LEU 21 CO 0.11 0.33 -0.35 -0.78 0.09 0.00 0.00 178.44 177.84 2a2y h ASP 22 N -0.71 0.00 0.22 -0.43 3.58 -1.42 -1.77 116.42 115.89 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 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2a2y h ASP 22 CO 0.03 0.35 -0.10 0.58 -2.88 0.00 0.00 179.24 177.22 2a2y h VAL 23 N 0.00 0.80 0.00 2.25 2.07 -0.35 -2.57 116.25 118.46 2a2y h VAL 23 Ca -0.00 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2a2y h VAL 23 Cb 0.64 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2a2y h VAL 23 CO 0.05 0.17 -0.00 -0.29 0.02 0.00 0.00 177.57 177.52 2a2y h ILE 24 N -0.79 0.04 -0.20 4.57 2.10 -1.09 -0.91 117.51 121.22 2a2y h ILE 24 Ca -0.03 -0.05 -0.19 0.00 1.08 0.00 0.00 64.86 65.67 2a2y h ILE 24 Cb 0.51 1.05 0.01 0.00 -1.09 0.00 0.00 36.82 37.29 2a2y h ILE 24 CO 0.05 0.00 -0.62 0.58 -1.08 0.00 0.00 178.15 177.08 2a2y h VAL 25 N 0.00 1.29 -0.34 2.19 2.07 -1.05 -2.85 116.25 117.56 2a2y h VAL 25 Ca -0.00 -1.83 -0.12 0.00 0.82 0.00 0.00 66.70 65.58 2a2y h VAL 25 Cb 0.05 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2a2y h VAL 25 CO 0.00 0.58 -0.26 -0.07 0.02 0.00 0.00 177.57 177.84 2a2y h LEU 26 N 0.51 0.70 -2.31 2.57 3.38 -0.78 -1.50 115.31 117.88 2a2y h LEU 26 Ca -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2a2y h LEU 26 Cb 1.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2a2y h LEU 26 CO 0.13 0.94 -0.04 0.15 0.09 0.00 0.00 178.44 179.71 2a2y h PHE 27 N 0.60 0.00 0.00 1.13 3.57 -1.43 0.19 116.94 121.00 2a2y h PHE 27 Ca 0.08 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2a2y h PHE 27 Cb 0.76 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2a2y h PHE 27 CO 0.04 0.04 -0.16 -0.97 -2.23 0.00 0.00 178.31 175.02 2a2y h ASN 28 N 0.00 0.00 0.11 0.41 -0.00 -1.02 -0.71 115.58 114.37 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 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 2a2y h ASN 28 CO 0.01 0.16 -0.11 0.00 -0.00 0.00 0.00 177.43 177.49 2a2y n GLN 29 N -3.92 1.25 0.00 6.67 6.02 0.64 -4.87 117.38 123.16 2a2y n GLN 29 Ca -0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 2a2y n GLN 29 Cb 0.25 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 1.24 1.24 3.58 1.08 0.00 -0.27 -4.88 105.19 107.17 2a2y n GLY 30 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.83 -0.12 -0.61 -1.09 -0.97 -4.41 121.20 115.83 2a2y s ILE 31 Ca 0.00 0.75 0.03 0.00 -2.23 0.00 0.00 60.65 59.20 2a2y s ILE 31 Cb 0.00 -4.42 -0.24 0.00 -1.58 0.00 0.00 42.46 36.22 2a2y s ILE 31 CO 0.00 -1.10 0.35 0.47 -1.23 0.00 0.00 174.94 173.43 2a2y n ASP 32 N 9.33 1.49 -4.87 3.58 9.92 -1.17 -4.05 116.55 130.78 2a2y n ASP 32 Ca 0.13 0.21 -0.37 0.00 -0.53 0.00 0.00 54.79 54.23 2a2y n ASP 32 Cb 0.49 -0.36 -0.06 0.00 -0.64 0.00 0.00 41.12 40.55 2a2y n ASP 32 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2a2y s GLU 33 N -2.56 3.54 -0.13 -1.24 0.41 -1.26 -1.16 118.70 116.30 2a2y s GLU 33 Ca -0.17 -0.02 -0.17 0.00 -0.41 0.00 0.00 54.97 54.20 2a2y s GLU 33 Cb 0.07 -3.19 0.04 0.00 -1.78 0.00 0.00 34.13 29.27 2a2y s GLU 33 CO 0.77 0.76 0.44 0.54 -0.49 0.00 0.00 175.26 177.28 2a2y s VAL 34 N -1.05 0.01 -0.13 2.63 0.11 -0.66 -2.89 120.40 118.43 2a2y s VAL 34 Ca 0.17 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 2a2y s VAL 34 Cb -0.13 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2a2y s VAL 34 CO 0.06 -0.05 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.93 2a2y s ILE 35 N -0.20 2.19 -0.24 7.04 1.01 -0.67 -0.75 121.20 129.59 2a2y s ILE 35 Ca -0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2a2y s ILE 35 Cb -0.03 -1.87 -0.00 0.00 0.01 0.00 0.00 42.46 40.57 2a2y s ILE 35 CO 0.02 0.55 -0.02 -0.76 0.00 0.00 0.00 174.94 174.73 2a2y s LEU 36 N 0.60 3.11 -0.13 2.97 1.02 0.13 0.79 118.68 127.17 2a2y s LEU 36 Ca -0.12 -0.52 -0.04 0.00 0.02 0.00 0.00 54.13 53.47 2a2y s LEU 36 Cb -0.16 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 2a2y s LEU 36 CO 0.03 -0.07 0.01 -0.54 0.02 0.00 0.00 176.35 175.81 2a2y s LYS 37 N 1.46 3.48 0.06 1.70 1.02 -0.91 -1.63 119.74 124.91 2a2y s LYS 37 Ca 0.04 -0.41 -0.07 0.00 0.02 0.00 0.00 55.97 55.55 2a2y s LYS 37 Cb -0.15 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2a2y s LYS 37 CO -0.02 0.46 0.14 0.20 -0.92 0.00 0.00 175.35 175.20 2a2y s GLY 38 N -0.19 0.15 0.02 -3.33 0.00 -0.94 -1.72 107.32 101.30 2a2y s GLY 38 Ca 0.06 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.19 2a2y s GLY 38 CO 0.02 -0.75 -0.03 -0.51 0.00 0.00 0.00 173.10 171.83 2a2y s THR 39 N -3.20 0.18 0.00 0.90 -4.23 -1.26 -1.10 115.64 106.93 2a2y s THR 39 Ca -0.00 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 2a2y s THR 39 Cb 0.02 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.59 2a2y s THR 39 CO -0.07 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 2a2y n GLY 40 N 2.02 0.34 0.08 3.99 0.00 -0.55 0.14 105.19 111.22 2a2y n GLY 40 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.14 1.61 3.08 -1.95 -3.32 114.38 113.66 2a2y h ARG 41 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2a2y h ARG 41 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2a2y h ARG 41 CO 0.00 0.81 0.15 0.93 -1.07 0.00 0.00 179.97 180.80 2a2y h GLU 42 N -1.00 0.00 -1.01 0.04 5.08 -0.59 -1.43 114.58 115.67 2a2y h GLU 42 Ca -0.15 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.46 2a2y h GLU 42 Cb 0.99 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 2a2y h GLU 42 CO -0.09 0.00 0.65 0.97 -1.00 0.00 0.00 179.01 179.54 2a2y h ILE 43 N 0.00 0.57 0.00 3.13 2.10 -1.52 0.34 117.51 122.13 2a2y h ILE 43 Ca 0.06 -0.15 -0.09 0.00 1.08 0.00 0.00 64.86 65.77 2a2y h ILE 43 Cb 0.37 0.11 -0.01 0.00 -1.09 0.00 0.00 36.82 36.19 2a2y h ILE 43 CO -0.00 0.08 -0.67 0.77 -1.08 0.00 0.00 178.15 177.24 2a2y h SER 44 N 0.42 0.00 0.00 2.19 4.64 -1.45 -3.18 113.55 116.17 2a2y h SER 44 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2a2y h SER 44 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2a2y h SER 44 CO -0.28 0.36 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 2a2y n LYS 45 N -3.06 0.00 -0.21 4.77 4.76 0.11 -1.36 118.16 123.18 2a2y n LYS 45 Ca -0.00 0.46 0.04 0.00 -2.87 0.00 0.00 58.31 55.94 2a2y n LYS 45 Cb 0.69 -1.41 0.09 0.00 -1.84 0.00 0.00 35.03 32.57 2a2y n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a2y n ALA 46 N -1.89 0.15 0.04 7.82 0.00 -0.78 -0.12 120.51 125.73 2a2y n ALA 46 Ca 0.00 0.63 -0.02 0.00 0.00 0.00 0.00 53.44 54.05 2a2y n ALA 46 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.49 -1.60 116.25 114.50 2a2y h VAL 47 Ca 0.28 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.96 2a2y h VAL 47 Cb 0.45 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.09 2a2y h VAL 47 CO -0.59 0.00 -0.10 -0.78 0.02 0.00 0.00 177.57 176.12 2a2y h ASP 48 N -0.12 -0.54 -0.19 0.57 1.82 0.47 0.23 116.42 118.66 2a2y h ASP 48 Ca -0.01 0.21 0.04 0.00 -0.39 0.00 0.00 57.03 56.87 2a2y h ASP 48 Cb 0.09 0.41 -0.07 0.00 0.68 0.00 0.00 39.33 40.44 2a2y h ASP 48 CO 0.02 -0.22 -0.53 0.58 -1.61 0.00 0.00 179.24 177.47 2a2y h VAL 49 N 0.04 0.01 0.35 2.25 2.07 -0.42 1.76 116.25 122.31 2a2y h VAL 49 Ca 0.38 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.88 2a2y h VAL 49 Cb 0.62 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2a2y h VAL 49 CO -0.72 0.00 -0.17 0.22 0.02 0.00 0.00 177.57 176.93 2a2y h TYR 50 N -0.54 -0.44 -0.39 1.57 3.20 -0.02 1.00 116.97 121.36 2a2y h TYR 50 Ca 0.05 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2a2y h TYR 50 Cb 0.66 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 2a2y h TYR 50 CO -0.61 -0.27 -0.08 -0.97 -1.64 0.00 0.00 178.16 174.59 2a2y h ASN 51 N -0.47 -0.33 -0.39 -2.11 -1.24 -0.12 1.86 115.58 112.78 2a2y h ASN 51 Ca -0.05 0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 2a2y h ASN 51 Cb 0.36 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 2a2y h ASN 51 CO 0.08 -0.12 0.17 0.77 -1.29 0.00 0.00 177.43 177.05 2a2y h SER 52 N 0.02 0.57 1.53 1.15 4.64 0.31 0.48 113.55 122.24 2a2y h SER 52 Ca 0.19 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2a2y h SER 52 Cb 0.28 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2a2y h SER 52 CO -0.39 0.52 -0.21 0.25 -0.87 0.00 0.00 176.83 176.14 2a2y h LEU 53 N 0.63 0.00 0.19 5.97 5.85 0.49 -3.09 115.31 125.35 2a2y h LEU 53 Ca 0.15 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.62 2a2y h LEU 53 Cb 0.13 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.19 2a2y h LEU 53 CO -0.01 0.21 -1.11 0.50 -0.34 0.00 0.00 178.44 177.68 2a2y h LYS 54 N 0.00 0.42 0.00 1.25 3.11 0.43 -2.90 116.57 118.87 2a2y h LYS 54 Ca -0.00 -0.70 0.00 0.00 -2.81 0.00 0.00 60.65 57.14 2a2y h LYS 54 Cb 1.03 0.26 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 2a2y h LYS 54 CO 0.03 1.33 0.46 -0.44 -2.81 0.00 0.00 179.45 178.02 2a2y h ASP 55 N -0.13 0.00 0.53 4.20 3.32 -0.04 0.13 116.42 124.43 2a2y h ASP 55 Ca -0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 2a2y h ASP 55 Cb 1.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.42 2a2y h ASP 55 CO 0.21 0.00 -0.28 0.03 -1.72 0.00 0.00 179.24 177.47 2a2y h ARG 56 N 0.00 -0.73 0.00 3.56 2.47 -1.50 -3.42 114.38 114.76 2a2y h ARG 56 Ca 0.00 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2a2y h ARG 56 Cb 0.93 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2a2y h ARG 56 CO 0.00 -0.48 0.00 1.28 0.56 0.00 0.00 179.97 181.33 2a2y n LEU 57 N -5.43 0.00 0.00 3.04 4.77 -0.20 -5.02 117.00 114.16 2a2y n LEU 57 Ca -0.12 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2a2y n LEU 57 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2a2y n LEU 57 CO 0.36 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 2a2y n GLY 58 N 0.00 0.38 0.21 -0.72 0.00 0.28 -4.00 105.19 101.35 2a2y n GLY 58 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.80 0.00 1.61 3.58 -1.95 -2.78 116.42 117.67 2a2y h ASP 59 Ca 0.00 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2a2y h ASP 59 Cb 0.00 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.82 2a2y h ASP 59 CO 0.00 1.17 0.00 0.61 -2.88 0.00 0.00 179.24 178.14 2a2y n GLY 60 N 0.33 0.70 3.46 -0.78 0.00 -1.26 -3.79 105.19 103.86 2a2y n GLY 60 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.24 -0.25 0.11 1.61 1.01 -1.05 -4.02 120.40 116.58 2a2y s VAL 61 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2a2y s VAL 61 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2a2y s VAL 61 CO 0.00 0.02 -0.10 -1.10 0.00 0.00 0.00 175.10 173.93 2a2y s GLN 62 N 1.89 0.91 -0.38 2.72 -1.52 1.08 -4.68 119.66 119.68 2a2y s GLN 62 Ca -0.08 -1.28 -0.17 0.00 -1.95 0.00 0.00 55.36 51.88 2a2y s GLN 62 Cb -0.08 -0.52 0.01 0.00 -0.22 0.00 0.00 33.01 32.20 2a2y s GLN 62 CO -0.16 0.07 0.44 -1.17 -0.25 0.00 0.00 175.29 174.21 2a2y s LEU 63 N -2.77 4.61 -0.04 2.90 0.20 -1.26 0.31 118.68 122.63 2a2y s LEU 63 Ca 0.10 -0.40 0.20 0.00 0.69 0.00 0.00 54.13 54.72 2a2y s LEU 63 Cb 0.00 -2.43 -0.31 0.00 -0.43 0.00 0.00 46.19 43.02 2a2y s LEU 63 CO -0.01 -0.50 0.42 0.55 -0.29 0.00 0.00 176.35 176.53 2a2y n VAL 64 N 5.40 0.11 -3.55 1.68 3.14 -1.26 -4.84 118.33 119.00 2a2y n VAL 64 Ca -0.07 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 60.71 2a2y n VAL 64 Cb 0.48 -0.01 -0.04 0.00 -1.06 0.00 0.00 33.84 33.21 2a2y n VAL 64 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2a2y s ASN 65 N -4.45 -0.38 -0.28 6.55 0.01 -1.26 -5.00 114.94 110.13 2a2y s ASN 65 Ca -0.08 0.30 -0.15 0.00 -0.71 0.00 0.00 52.86 52.22 2a2y s ASN 65 Cb 0.13 0.34 0.08 0.00 0.41 0.00 0.00 41.25 42.21 2a2y s ASN 65 CO 0.85 -0.44 0.68 -0.69 -1.51 0.00 0.00 177.10 175.98 2a2y s VAL 66 N -1.74 -0.08 0.15 1.60 1.01 -1.26 0.71 120.40 120.78 2a2y s VAL 66 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2a2y s VAL 66 Cb -0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2a2y s VAL 66 CO -0.01 0.00 0.23 -1.58 0.00 0.00 0.00 175.10 173.74 2a2y s GLN 67 N 1.73 1.08 0.05 2.72 0.74 0.30 -4.98 119.66 121.31 2a2y s GLN 67 Ca -0.10 -1.20 -0.00 0.00 0.05 0.00 0.00 55.36 54.11 2a2y s GLN 67 Cb -0.06 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 2a2y s GLN 67 CO -0.20 -0.38 -0.04 0.95 -0.55 0.00 0.00 175.29 175.08 2a2y s THR 68 N -3.97 0.28 -0.25 -0.34 -4.23 -1.26 0.30 115.64 106.17 2a2y s THR 68 Ca 0.17 -1.66 -0.28 0.00 -1.18 0.00 0.00 61.69 58.74 2a2y s THR 68 Cb 0.04 -1.31 0.16 0.00 1.34 0.00 0.00 72.50 72.74 2a2y s THR 68 CO -0.01 -0.88 1.23 -0.83 -0.54 0.00 0.00 174.62 173.59 2a2y s GLY 69 N -2.66 -0.00 0.42 3.99 0.00 -0.04 -4.92 107.32 104.11 2a2y s GLY 69 Ca 0.03 2.68 0.00 0.00 0.00 0.00 0.00 44.72 47.44 2a2y s GLY 69 CO -0.07 1.29 0.64 -1.35 0.00 0.00 0.00 173.10 173.61 2a2y s SER 70 N -0.75 5.98 0.09 1.64 1.04 -1.26 -0.58 113.70 119.87 2a2y s SER 70 Ca 0.05 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.73 2a2y s SER 70 Cb -0.02 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.41 2a2y s SER 70 CO -0.06 -0.58 0.22 -1.83 0.98 0.00 0.00 173.24 171.97 2a2y s GLU 71 N -4.49 0.87 -0.97 4.02 -1.05 0.92 -4.85 118.70 113.15 2a2y s GLU 71 Ca 0.46 -0.92 -0.16 0.00 -0.15 0.00 0.00 54.97 54.20 2a2y s GLU 71 Cb -0.10 0.36 0.16 0.00 -0.44 0.00 0.00 34.13 34.11 2a2y s GLU 71 CO 0.38 -0.29 1.11 0.08 0.95 0.00 0.00 175.26 177.49 2a2y s VAL 72 N -3.82 5.03 -0.41 1.83 1.01 -1.26 -0.57 120.40 122.21 2a2y s VAL 72 Ca 0.04 -2.05 -0.17 0.00 0.00 0.00 0.00 61.98 59.81 2a2y s VAL 72 Cb 0.04 -4.73 0.01 0.00 0.00 0.00 0.00 36.38 31.71 2a2y s VAL 72 CO -0.11 -1.42 0.45 -0.60 0.00 0.00 0.00 175.10 173.42 2a2y s ARG 73 N 1.77 3.22 0.00 2.72 3.52 0.80 -4.20 118.95 126.78 2a2y s ARG 73 Ca 0.31 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 2a2y s ARG 73 Cb -0.06 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 2a2y s ARG 73 CO -0.08 -0.80 0.00 -3.47 -0.81 0.00 0.00 175.30 170.14 2a2y n ASP 74 N 5.64 -1.67 -1.91 -2.12 -0.08 -1.26 -3.47 116.55 111.68 2a2y n ASP 74 Ca -0.07 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.04 2a2y n ASP 74 Cb 0.48 -0.48 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 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 -0.63 -1.37 -3.78 -0.67 3.00 -1.26 -4.97 116.66 106.98 2a2y n ARG 75 Ca 0.00 0.87 -0.13 0.00 -0.01 0.00 0.00 57.85 58.59 2a2y n ARG 75 Cb 0.48 -5.31 -0.10 0.00 0.00 0.00 0.00 32.46 27.53 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 -4.71 0.51 0.02 5.56 6.06 -1.23 -5.12 118.95 120.05 2a2y s ARG 76 Ca 0.00 0.01 -0.25 0.00 -2.50 0.00 0.00 55.73 52.98 2a2y s ARG 76 Cb 0.00 0.23 -0.05 0.00 0.06 0.00 0.00 34.95 35.19 2a2y s ARG 76 CO 0.00 -0.12 0.78 0.50 -2.50 0.00 0.00 175.30 173.96 2a2y s ARG 77 N -0.77 4.50 0.04 5.12 6.06 -1.26 -0.14 118.95 132.50 2a2y s ARG 77 Ca -0.09 1.08 -0.02 0.00 -2.50 0.00 0.00 55.73 54.20 2a2y s ARG 77 Cb -0.04 -3.39 -0.02 0.00 0.06 0.00 0.00 34.95 31.55 2a2y s ARG 77 CO 0.02 0.21 0.01 -1.50 -2.50 0.00 0.00 175.30 171.54 2a2y s ILE 78 N 0.21 0.16 0.34 4.11 2.07 0.26 -4.90 121.20 123.46 2a2y s ILE 78 Ca 0.40 -1.33 -0.13 0.00 -1.41 0.00 0.00 60.65 58.18 2a2y s ILE 78 Cb -0.20 -0.98 -0.08 0.00 0.13 0.00 0.00 42.46 41.33 2a2y s ILE 78 CO 0.23 -0.73 0.73 -0.55 -1.91 0.00 0.00 174.94 172.70 2a2y s SER 79 N -2.28 6.67 -0.03 4.50 0.15 -1.26 -0.06 113.70 121.39 2a2y s SER 79 Ca -0.03 1.18 0.03 0.00 0.70 0.00 0.00 55.95 57.83 2a2y s SER 79 Cb 0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2a2y s SER 79 CO -0.06 -0.26 -0.10 -0.47 1.20 0.00 0.00 173.24 173.55 2a2y s TYR 80 N -2.10 1.05 -0.14 3.44 6.14 0.26 -1.48 117.35 124.52 2a2y s TYR 80 Ca 0.52 -0.27 0.01 0.00 0.64 0.00 0.00 57.07 57.97 2a2y s TYR 80 Cb -0.10 -0.74 -0.00 0.00 0.42 0.00 0.00 41.96 41.53 2a2y s TYR 80 CO 0.23 -0.11 -0.17 -1.50 0.64 0.00 0.00 175.55 174.63 2a2y s ILE 81 N 0.20 2.54 -0.23 3.14 2.07 -0.26 -0.86 121.20 127.79 2a2y s ILE 81 Ca -0.04 -0.82 -0.06 0.00 -1.41 0.00 0.00 60.65 58.32 2a2y s ILE 81 Cb -0.09 -2.05 -0.02 0.00 0.13 0.00 0.00 42.46 40.42 2a2y s ILE 81 CO 0.01 0.53 0.04 -0.76 -1.91 0.00 0.00 174.94 172.84 2a2y s LEU 82 N 0.67 3.32 -0.07 8.50 1.43 0.88 -2.22 118.68 131.19 2a2y s LEU 82 Ca -0.09 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2a2y s LEU 82 Cb -0.16 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.21 2a2y s LEU 82 CO 0.02 -0.01 -0.07 -0.22 0.23 0.00 0.00 176.35 176.30 2a2y s LEU 83 N 1.45 1.28 0.45 1.79 0.20 -0.65 0.11 118.68 123.31 2a2y s LEU 83 Ca 0.05 -0.21 0.08 0.00 0.69 0.00 0.00 54.13 54.75 2a2y s LEU 83 Cb -0.15 -0.64 0.02 0.00 -0.43 0.00 0.00 46.19 44.99 2a2y s LEU 83 CO 0.02 -0.07 0.59 -0.60 -0.29 0.00 0.00 176.35 176.01 2a2y s ARG 84 N 1.18 2.71 -0.21 1.98 3.52 0.22 0.18 118.95 128.53 2a2y s ARG 84 Ca -0.06 -1.34 -0.26 0.00 -0.13 0.00 0.00 55.73 53.94 2a2y s ARG 84 Cb -0.14 -2.71 0.07 0.00 -1.56 0.00 0.00 34.95 30.61 2a2y s ARG 84 CO -0.02 -0.37 0.69 -1.17 -0.81 0.00 0.00 175.30 173.62 2a2y s LEU 85 N -4.39 -0.66 -0.00 -0.88 2.96 0.07 -4.32 118.68 111.46 2a2y s LEU 85 Ca 0.56 1.24 0.08 0.00 -0.22 0.00 0.00 54.13 55.78 2a2y s LEU 85 Cb -0.09 2.42 -0.02 0.00 0.50 0.00 0.00 46.19 49.01 2a2y s LEU 85 CO 0.34 -0.33 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.05 2a2y s LYS 86 N -0.00 1.84 -0.13 1.98 2.36 0.91 -1.65 119.74 125.04 2a2y s LYS 86 Ca -0.03 -0.90 -0.09 0.00 -2.55 0.00 0.00 55.97 52.41 2a2y s LYS 86 Cb -0.04 -1.83 -0.04 0.00 -1.05 0.00 0.00 37.83 34.86 2a2y s LYS 86 CO 0.03 0.50 0.17 1.03 1.55 0.00 0.00 175.35 178.63 2a2y s ARG 87 N -0.73 3.69 0.00 4.03 1.81 -0.31 0.35 118.95 127.79 2a2y s ARG 87 Ca 0.09 -0.09 0.10 0.00 -1.72 0.00 0.00 55.73 54.12 2a2y s ARG 87 Cb -0.09 -3.26 0.07 0.00 -0.45 0.00 0.00 34.95 31.22 2a2y s ARG 87 CO -0.00 0.64 0.80 0.28 -0.68 0.00 0.00 175.30 176.33 2a2y n VAL 88 N 2.39 0.00 -0.77 3.52 0.31 -1.25 -4.90 118.33 117.64 2a2y n VAL 88 Ca -0.18 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2a2y n VAL 88 Cb 0.54 1.20 0.00 0.00 -0.91 0.00 0.00 33.84 34.67 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51