#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 3.00 0.00 2.03 -1.04 -1.26 -4.65 114.28 112.36 2a2y n THR 2 Ca 0.00 -1.94 0.00 0.00 -2.04 0.00 0.00 64.05 60.07 2a2y n THR 2 Cb 0.00 -0.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2a2y n THR 2 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a2y n GLU 3 N -0.61 0.00 -2.35 -2.82 1.02 -1.26 -4.07 120.64 110.56 2a2y n GLU 3 Ca 0.48 0.32 -0.41 0.00 -0.02 0.00 0.00 57.16 57.53 2a2y n GLU 3 Cb 1.04 -1.04 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 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 -1.45 4.59 -3.50 3.49 2.85 -1.26 -3.78 118.16 119.10 2a2y n LYS 4 Ca 0.00 -3.90 -0.15 0.00 -1.05 0.00 0.00 58.31 53.21 2a2y n LYS 4 Cb 0.00 -2.64 -0.04 0.00 -0.65 0.00 0.00 35.03 31.70 2a2y n LYS 4 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 2a2y s LEU 5 N -2.33 -0.58 0.00 -5.58 2.96 -1.25 -4.47 118.68 107.43 2a2y s LEU 5 Ca 0.44 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.77 2a2y s LEU 5 Cb 0.15 2.44 0.00 0.00 0.50 0.00 0.00 46.19 49.28 2a2y s LEU 5 CO -0.06 -0.69 0.00 -3.20 -1.32 0.00 0.00 176.35 171.09 2a2y n ASN 6 N 0.41 0.00 -4.47 3.68 5.15 -1.15 -4.78 115.26 114.11 2a2y n ASN 6 Ca -0.17 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.38 2a2y n ASN 6 Cb 0.60 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.80 2a2y n ASN 6 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2a2y s GLU 7 N 0.00 3.19 -0.05 1.20 -1.05 -1.26 0.29 118.70 121.01 2a2y s GLU 7 Ca 0.00 -0.69 0.04 0.00 -0.15 0.00 0.00 54.97 54.17 2a2y s GLU 7 Cb 0.00 -4.13 -0.03 0.00 -0.44 0.00 0.00 34.13 29.53 2a2y s GLU 7 CO 0.00 -1.51 -0.15 0.42 0.95 0.00 0.00 175.26 174.97 2a2y s ILE 8 N 3.51 3.03 -0.19 1.83 -1.09 0.47 -4.93 121.20 123.84 2a2y s ILE 8 Ca 0.22 -0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 57.83 2a2y s ILE 8 Cb -0.17 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 2a2y s ILE 8 CO 0.13 0.59 0.06 -0.69 -1.23 0.00 0.00 174.94 173.80 2a2y s VAL 9 N -0.71 4.70 0.51 2.92 1.01 -1.26 -1.77 120.40 125.80 2a2y s VAL 9 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2a2y s VAL 9 Cb -0.11 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2a2y s VAL 9 CO 0.00 0.45 0.80 0.54 0.00 0.00 0.00 175.10 176.89 2a2y s VAL 10 N 0.49 4.24 0.25 2.92 0.11 0.90 -4.85 120.40 124.45 2a2y s VAL 10 Ca 0.03 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2a2y s VAL 10 Cb -0.13 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2a2y s VAL 10 CO 0.01 -0.58 0.14 -0.13 -3.33 0.00 0.00 175.10 171.21 2a2y s ARG 11 N -4.78 1.38 0.00 1.54 0.52 -1.26 -4.69 118.95 111.66 2a2y s ARG 11 Ca 0.50 -1.75 0.24 0.00 -0.52 0.00 0.00 55.73 54.20 2a2y s ARG 11 Cb -0.10 0.09 0.32 0.00 0.52 0.00 0.00 34.95 35.78 2a2y s ARG 11 CO 0.43 -0.41 1.28 0.36 0.02 0.00 0.00 175.30 176.99 2a2y n LYS 12 N -0.41 0.07 0.00 3.54 -0.00 -1.26 -3.68 118.16 116.42 2a2y n LYS 12 Ca 0.02 -0.04 0.13 0.00 -0.00 0.00 0.00 58.31 58.41 2a2y n LYS 12 Cb 0.65 -1.50 0.38 0.00 -0.00 0.00 0.00 35.03 34.57 2a2y n LYS 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a2y n THR 13 N -1.43 0.00 0.00 0.58 -2.24 -1.26 -4.80 114.28 105.14 2a2y n THR 13 Ca 0.06 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2a2y n THR 13 Cb 0.34 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2a2y n THR 13 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2a2y n LYS 14 N -0.87 0.91 -3.67 -0.78 4.76 -1.24 -5.15 118.16 112.12 2a2y n LYS 14 Ca 0.11 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.51 2a2y n LYS 14 Cb 0.34 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.51 2a2y n LYS 14 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2a2y s ASN 15 N -1.00 -0.21 0.25 4.39 0.01 -1.26 -4.93 114.94 112.20 2a2y s ASN 15 Ca 0.00 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 51.88 2a2y s ASN 15 Cb 0.00 0.41 0.31 0.00 0.41 0.00 0.00 41.25 42.38 2a2y s ASN 15 CO 0.00 -0.73 1.71 -0.37 -1.51 0.00 0.00 177.10 176.20 2a2y h VAL 16 N 2.00 1.25 -0.14 1.60 -1.51 -1.94 -1.96 116.25 115.55 2a2y h VAL 16 Ca -0.24 -1.16 -0.23 0.00 -1.23 0.00 0.00 66.70 63.84 2a2y h VAL 16 Cb 1.23 1.09 0.01 0.00 -2.13 0.00 0.00 31.29 31.49 2a2y h VAL 16 CO 0.27 0.39 -0.81 -0.33 -1.23 0.00 0.00 177.57 175.86 2a2y h GLU 17 N 0.65 0.79 -0.19 5.19 4.39 -1.96 -2.15 114.58 121.29 2a2y h GLU 17 Ca 0.11 -0.67 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 2a2y h GLU 17 Cb 0.58 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2a2y h GLU 17 CO 0.04 1.27 0.08 0.22 -1.16 0.00 0.00 179.01 179.45 2a2y h ASP 18 N 0.53 0.22 0.61 1.42 1.82 -1.81 -0.82 116.42 118.40 2a2y h ASP 18 Ca -0.06 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 2a2y h ASP 18 Cb 1.44 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.40 2a2y h ASP 18 CO 0.17 0.21 -1.14 1.41 -1.61 0.00 0.00 179.24 178.27 2a2y n HIS 19 N -4.46 0.52 0.06 0.28 8.25 -0.78 -2.41 115.22 116.68 2a2y n HIS 19 Ca -0.00 0.15 -0.05 0.00 -0.26 0.00 0.00 57.72 57.56 2a2y n HIS 19 Cb 0.11 -0.67 0.14 0.00 1.12 0.00 0.00 29.99 30.70 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 1.34 0.10 1.59 3.04 -0.69 0.54 116.25 122.16 2a2y h VAL 20 Ca 0.00 -1.73 -0.00 0.00 -1.01 0.00 0.00 66.70 63.96 2a2y h VAL 20 Cb 0.88 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2a2y h VAL 20 CO 0.00 0.52 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.97 2a2y h LEU 21 N 0.28 -0.11 -1.19 3.16 3.38 -1.20 -0.80 115.31 118.84 2a2y h LEU 21 Ca 0.01 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 2a2y h LEU 21 Cb 0.98 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2a2y h LEU 21 CO 0.08 0.32 -0.31 -0.78 0.09 0.00 0.00 178.44 177.84 2a2y h ASP 22 N -0.57 0.16 0.31 -0.43 3.58 -1.32 -1.75 116.42 116.40 2a2y h ASP 22 Ca -0.01 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2a2y h ASP 22 Cb 0.46 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2a2y h ASP 22 CO 0.02 0.47 -0.15 0.58 -2.88 0.00 0.00 179.24 177.28 2a2y h VAL 23 N 0.14 0.57 0.00 2.25 2.07 0.16 -2.53 116.25 118.91 2a2y h VAL 23 Ca 0.02 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2a2y h VAL 23 Cb 0.63 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2a2y h VAL 23 CO 0.05 0.12 -0.00 -0.29 0.02 0.00 0.00 177.57 177.46 2a2y h ILE 24 N -0.90 0.04 -0.21 4.57 2.10 -1.13 -1.32 117.51 120.66 2a2y h ILE 24 Ca -0.04 -0.07 -0.13 0.00 1.08 0.00 0.00 64.86 65.70 2a2y h ILE 24 Cb 0.52 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2a2y h ILE 24 CO 0.07 0.00 -0.37 0.58 -1.08 0.00 0.00 178.15 177.35 2a2y h VAL 25 N 0.00 1.32 -0.55 2.19 2.07 -1.10 -2.61 116.25 117.57 2a2y h VAL 25 Ca -0.00 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.85 2a2y h VAL 25 Cb 0.07 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2a2y h VAL 25 CO 0.00 0.50 0.04 -0.07 0.02 0.00 0.00 177.57 178.06 2a2y h LEU 26 N 0.32 0.92 -2.00 2.57 3.38 -0.82 -1.42 115.31 118.26 2a2y h LEU 26 Ca 0.01 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.75 2a2y h LEU 26 Cb 0.97 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2a2y h LEU 26 CO 0.08 0.98 0.14 0.15 0.09 0.00 0.00 178.44 179.88 2a2y h PHE 27 N 0.83 0.00 -0.12 1.13 3.57 -1.45 0.45 116.94 121.36 2a2y h PHE 27 Ca 0.16 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 2a2y h PHE 27 Cb 0.48 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2a2y h PHE 27 CO 0.04 0.00 0.10 -0.97 -2.23 0.00 0.00 178.31 175.24 2a2y h ASN 28 N 0.00 0.00 0.05 0.41 -0.73 -0.85 0.36 115.58 114.83 2a2y h ASN 28 Ca 0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2a2y h ASN 28 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.96 2a2y h ASN 28 CO -0.00 0.00 -0.06 0.00 -0.37 0.00 0.00 177.43 177.00 2a2y n GLN 29 N -4.25 1.43 0.00 6.67 6.02 0.16 -4.87 117.38 122.54 2a2y n GLN 29 Ca -0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 2a2y n GLN 29 Cb 0.21 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 1.15 3.59 1.08 0.00 0.13 -5.05 105.19 107.30 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 4.03 -0.13 -0.61 -1.09 -0.97 -4.51 121.20 115.92 2a2y s ILE 31 Ca 0.00 0.99 0.02 0.00 -2.23 0.00 0.00 60.65 59.43 2a2y s ILE 31 Cb 0.00 -4.55 -0.24 0.00 -1.58 0.00 0.00 42.46 36.10 2a2y s ILE 31 CO 0.00 -1.09 0.32 0.47 -1.23 0.00 0.00 174.94 173.41 2a2y n ASP 32 N 8.46 1.59 -4.85 3.58 8.00 -1.25 -3.93 116.55 128.15 2a2y n ASP 32 Ca 0.12 0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.46 2a2y n ASP 32 Cb 0.49 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.56 3.32 -0.15 -1.24 2.02 -1.26 -0.96 118.70 117.88 2a2y s GLU 33 Ca -0.19 -0.30 -0.20 0.00 0.02 0.00 0.00 54.97 54.31 2a2y s GLU 33 Cb 0.07 -3.05 0.05 0.00 0.10 0.00 0.00 34.13 31.30 2a2y s GLU 33 CO 0.76 0.71 0.51 0.54 0.02 0.00 0.00 175.26 177.80 2a2y s VAL 34 N -1.16 0.01 -0.18 2.63 0.11 -0.52 -2.94 120.40 118.35 2a2y s VAL 34 Ca 0.21 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2a2y s VAL 34 Cb -0.12 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2a2y s VAL 34 CO 0.11 -0.04 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.08 2a2y s ILE 35 N -0.19 2.79 -0.25 7.04 1.01 0.14 -0.64 121.20 131.10 2a2y s ILE 35 Ca -0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 2a2y s ILE 35 Cb -0.03 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2a2y s ILE 35 CO 0.03 0.49 0.11 -0.76 0.00 0.00 0.00 174.94 174.81 2a2y s LEU 36 N 1.06 3.66 -0.17 2.97 1.02 0.22 -0.39 118.68 127.05 2a2y s LEU 36 Ca -0.00 -0.11 -0.05 0.00 0.02 0.00 0.00 54.13 53.98 2a2y s LEU 36 Cb -0.15 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 2a2y s LEU 36 CO -0.03 -0.02 0.01 -0.54 0.02 0.00 0.00 176.35 175.79 2a2y s LYS 37 N 1.53 3.80 0.05 1.70 1.02 -0.73 -1.28 119.74 125.83 2a2y s LYS 37 Ca 0.06 -0.44 -0.05 0.00 0.02 0.00 0.00 55.97 55.56 2a2y s LYS 37 Cb -0.15 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2a2y s LYS 37 CO 0.06 0.25 0.08 0.20 -0.92 0.00 0.00 175.35 175.02 2a2y s GLY 38 N 0.37 0.21 0.02 -3.33 0.00 -0.97 -0.07 107.32 103.55 2a2y s GLY 38 Ca -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2a2y s GLY 38 CO 0.02 -0.82 -0.04 -0.51 0.00 0.00 0.00 173.10 171.75 2a2y s THR 39 N -3.01 0.28 0.00 0.90 -4.23 -1.26 -1.27 115.64 107.05 2a2y s THR 39 Ca -0.02 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2a2y s THR 39 Cb 0.01 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2a2y s THR 39 CO -0.06 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 2a2y n GLY 40 N 2.13 0.27 0.07 3.99 0.00 -0.57 0.49 105.19 111.56 2a2y n GLY 40 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.95 -3.30 114.38 110.74 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 0.70 0.00 1.05 -0.00 0.00 0.00 179.97 181.72 2a2y h GLU 42 N -1.00 0.00 -0.50 0.08 4.11 -0.24 -2.11 114.58 114.92 2a2y h GLU 42 Ca -0.02 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.52 2a2y h GLU 42 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2a2y h GLU 42 CO -0.01 0.00 0.34 0.97 0.07 0.00 0.00 179.01 180.38 2a2y h ILE 43 N 0.00 0.83 0.00 -1.06 2.10 -1.46 0.11 117.51 118.03 2a2y h ILE 43 Ca 0.00 -0.06 -0.11 0.00 1.08 0.00 0.00 64.86 65.77 2a2y h ILE 43 Cb 0.19 0.64 -0.02 0.00 -1.09 0.00 0.00 36.82 36.55 2a2y h ILE 43 CO 0.00 0.03 -0.69 0.28 -1.08 0.00 0.00 178.15 176.69 2a2y h SER 44 N 0.18 0.00 0.00 2.19 0.02 -1.55 -3.22 113.55 111.17 2a2y h SER 44 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2a2y h SER 44 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2a2y h SER 44 CO -0.04 0.46 0.00 0.29 -1.14 0.00 0.00 176.83 176.40 2a2y n LYS 45 N -3.12 0.00 -0.20 3.45 4.01 0.30 -0.12 118.16 122.49 2a2y n LYS 45 Ca -0.00 0.46 0.19 0.00 -0.51 0.00 0.00 58.31 58.45 2a2y n LYS 45 Cb 0.74 -1.33 0.36 0.00 -0.51 0.00 0.00 35.03 34.28 2a2y n LYS 45 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2a2y n ALA 46 N -1.87 0.63 -0.01 7.82 0.00 -0.77 -0.42 120.51 125.88 2a2y n ALA 46 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 53.44 54.07 2a2y n ALA 46 Cb 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.68 0.00 2.07 -1.52 -2.88 116.25 113.24 2a2y h VAL 47 Ca 0.52 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2a2y h VAL 47 Cb 1.37 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.01 2a2y h VAL 47 CO -0.48 0.00 -0.30 -0.78 0.02 0.00 0.00 177.57 176.03 2a2y h ASP 48 N -0.56 -1.06 -0.49 0.57 1.82 0.16 0.59 116.42 117.45 2a2y h ASP 48 Ca -0.00 0.24 0.06 0.00 -0.39 0.00 0.00 57.03 56.93 2a2y h ASP 48 Cb 0.03 0.56 -0.05 0.00 0.68 0.00 0.00 39.33 40.54 2a2y h ASP 48 CO 0.01 -0.29 0.18 1.62 -1.61 0.00 0.00 179.24 179.15 2a2y h VAL 49 N -0.10 0.85 0.43 2.25 3.04 -0.90 1.04 116.25 122.85 2a2y h VAL 49 Ca 0.28 -0.12 -0.02 0.00 -1.01 0.00 0.00 66.70 65.82 2a2y h VAL 49 Cb 0.55 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 2a2y h VAL 49 CO -0.74 0.07 -0.21 0.22 -1.01 0.00 0.00 177.57 175.90 2a2y h TYR 50 N 0.36 -0.53 -0.47 3.17 3.20 -0.31 1.48 116.97 123.86 2a2y h TYR 50 Ca 0.23 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.17 2a2y h TYR 50 Cb 0.23 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 2a2y h TYR 50 CO -0.15 -0.26 0.09 -0.97 -1.64 0.00 0.00 178.16 175.23 2a2y h ASN 51 N -0.72 -0.01 0.03 -2.11 -0.73 0.41 0.48 115.58 112.93 2a2y h ASN 51 Ca -0.06 0.08 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 2a2y h ASN 51 Cb 0.51 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 2a2y h ASN 51 CO 0.10 0.03 -0.11 0.28 -0.37 0.00 0.00 177.43 177.36 2a2y h SER 52 N 0.22 0.17 1.13 1.15 0.02 0.15 -0.79 113.55 115.61 2a2y h SER 52 Ca 0.24 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2a2y h SER 52 Cb 0.31 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2a2y h SER 52 CO -0.31 0.31 -0.22 0.25 -1.14 0.00 0.00 176.83 175.72 2a2y h LEU 53 N 0.18 0.00 0.01 5.07 5.85 0.64 -2.62 115.31 124.45 2a2y h LEU 53 Ca 0.04 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 2a2y h LEU 53 Cb 0.31 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2a2y h LEU 53 CO 0.02 0.22 -1.25 0.07 -0.34 0.00 0.00 178.44 177.16 2a2y h LYS 54 N 0.00 0.03 0.00 1.25 5.09 0.53 -2.84 116.57 120.62 2a2y h LYS 54 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.69 2a2y h LYS 54 Cb 0.84 0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.19 2a2y h LYS 54 CO 0.03 0.87 0.13 -0.25 -2.09 0.00 0.00 179.45 178.14 2a2y n ASP 55 N -3.28 0.44 -0.04 7.07 9.92 -0.41 -0.51 116.55 129.76 2a2y n ASP 55 Ca -0.06 0.66 -0.14 0.00 -0.53 0.00 0.00 54.79 54.72 2a2y n ASP 55 Cb 0.98 -0.68 -0.09 0.00 -0.64 0.00 0.00 41.12 40.70 2a2y n ASP 55 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2a2y h ARG 56 N 0.00 0.23 0.00 -1.24 2.47 -1.45 -3.44 114.38 110.94 2a2y h ARG 56 Ca 0.00 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2a2y h ARG 56 Cb 0.26 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2a2y h ARG 56 CO 0.00 0.74 0.00 1.28 0.56 0.00 0.00 179.97 182.55 2a2y n LEU 57 N -4.60 0.00 0.00 3.04 4.77 -0.28 -5.02 117.00 114.91 2a2y n LEU 57 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2a2y n LEU 57 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2a2y n LEU 57 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2a2y n GLY 58 N 0.00 0.33 0.17 -0.72 0.00 0.34 -4.00 105.19 101.31 2a2y n GLY 58 Ca 0.00 -0.00 -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 0.57 -0.15 1.61 3.58 -1.95 -2.90 116.42 117.18 2a2y h ASP 59 Ca 0.00 -0.53 -0.05 0.00 0.42 0.00 0.00 57.03 56.86 2a2y h ASP 59 Cb 0.00 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 2a2y h ASP 59 CO 0.00 1.00 0.07 0.61 -2.88 0.00 0.00 179.24 178.04 2a2y n GLY 60 N 0.36 2.16 3.42 -0.78 0.00 -1.26 -4.17 105.19 104.92 2a2y n GLY 60 Ca -0.06 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.91 -0.01 0.03 1.61 1.01 -1.10 -4.03 120.40 117.01 2a2y s VAL 61 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 2a2y s VAL 61 Cb 0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2a2y s VAL 61 CO 0.02 0.01 -0.00 -1.10 0.00 0.00 0.00 175.10 174.03 2a2y s GLN 62 N 0.83 0.47 -0.35 2.72 -1.52 0.99 -4.65 119.66 118.16 2a2y s GLN 62 Ca -0.04 -0.84 -0.16 0.00 -1.95 0.00 0.00 55.36 52.36 2a2y s GLN 62 Cb -0.05 0.17 -0.01 0.00 -0.22 0.00 0.00 33.01 32.90 2a2y s GLN 62 CO -0.07 -0.09 0.41 -1.17 -0.25 0.00 0.00 175.29 174.12 2a2y s LEU 63 N -2.09 4.47 -0.01 2.90 0.20 -1.26 0.29 118.68 123.18 2a2y s LEU 63 Ca -0.06 -0.24 0.14 0.00 0.69 0.00 0.00 54.13 54.66 2a2y s LEU 63 Cb -0.02 -2.41 -0.18 0.00 -0.43 0.00 0.00 46.19 43.15 2a2y s LEU 63 CO -0.05 -0.41 0.49 0.55 -0.29 0.00 0.00 176.35 176.64 2a2y n VAL 64 N 5.32 0.00 -3.63 1.68 3.14 -1.26 -4.85 118.33 118.72 2a2y n VAL 64 Ca -0.08 -0.23 -0.03 0.00 -2.96 0.00 0.00 64.34 61.04 2a2y n VAL 64 Cb 0.49 0.69 -0.04 0.00 -1.06 0.00 0.00 33.84 33.92 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 -2.81 -0.07 -0.25 6.55 0.01 -1.26 -4.99 114.94 112.12 2a2y s ASN 65 Ca 0.01 0.07 -0.19 0.00 -0.71 0.00 0.00 52.86 52.04 2a2y s ASN 65 Cb 0.10 0.06 0.07 0.00 0.41 0.00 0.00 41.25 41.89 2a2y s ASN 65 CO 0.58 -0.08 0.64 -0.69 -1.51 0.00 0.00 177.10 176.05 2a2y s VAL 66 N -1.19 -0.00 0.07 1.60 1.01 -1.26 0.15 120.40 120.78 2a2y s VAL 66 Ca 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 2a2y s VAL 66 Cb -0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2a2y s VAL 66 CO -0.06 0.00 0.10 -1.58 0.00 0.00 0.00 175.10 173.56 2a2y s GLN 67 N 0.91 0.75 0.33 2.72 0.74 0.33 -4.97 119.66 120.47 2a2y s GLN 67 Ca -0.05 -1.08 0.10 0.00 0.05 0.00 0.00 55.36 54.39 2a2y s GLN 67 Cb -0.05 0.29 -0.06 0.00 1.10 0.00 0.00 33.01 34.29 2a2y s GLN 67 CO -0.08 -0.20 -0.06 0.95 -0.55 0.00 0.00 175.29 175.34 2a2y s THR 68 N -3.89 2.53 0.00 -0.34 -4.23 -1.26 0.24 115.64 108.68 2a2y s THR 68 Ca 0.06 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2a2y s THR 68 Cb 0.06 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2a2y s THR 68 CO -0.10 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 2a2y n GLY 69 N -0.84 1.33 3.91 3.99 0.00 0.07 -4.90 105.19 108.76 2a2y n GLY 69 Ca -0.05 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2a2y n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a2y s SER 70 N 0.00 6.40 0.17 1.61 1.04 -1.26 -0.36 113.70 121.29 2a2y s SER 70 Ca 0.00 0.70 -0.12 0.00 0.48 0.00 0.00 55.95 57.01 2a2y s SER 70 Cb 0.00 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.99 2a2y s SER 70 CO 0.00 -0.26 0.37 -1.83 0.98 0.00 0.00 173.24 172.49 2a2y s GLU 71 N -3.84 1.21 0.02 4.02 4.04 0.51 -4.88 118.70 119.79 2a2y s GLU 71 Ca 0.44 -1.03 -0.20 0.00 0.04 0.00 0.00 54.97 54.21 2a2y s GLU 71 Cb -0.10 0.43 -0.06 0.00 0.02 0.00 0.00 34.13 34.42 2a2y s GLU 71 CO 0.33 -0.47 0.60 0.14 -1.84 0.00 0.00 175.26 174.01 2a2y s VAL 72 N -3.92 4.85 -0.28 1.83 -7.23 -1.26 -0.04 120.40 114.36 2a2y s VAL 72 Ca 0.13 1.26 -0.01 0.00 -1.81 0.00 0.00 61.98 61.55 2a2y s VAL 72 Cb 0.02 -3.93 0.13 0.00 0.56 0.00 0.00 36.38 33.16 2a2y s VAL 72 CO -0.02 0.45 0.31 -0.60 -0.31 0.00 0.00 175.10 174.93 2a2y s ARG 73 N -0.42 0.32 0.00 4.82 3.52 0.29 -4.85 118.95 122.64 2a2y s ARG 73 Ca 0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 2a2y s ARG 73 Cb -0.19 -0.65 0.00 0.00 -1.56 0.00 0.00 34.95 32.56 2a2y s ARG 73 CO 0.18 -0.96 0.00 -3.47 -0.81 0.00 0.00 175.30 170.24 2a2y n ASP 74 N 5.32 -1.03 -2.30 -2.12 -0.08 -1.26 -3.74 116.55 111.35 2a2y n ASP 74 Ca -0.02 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.09 2a2y n ASP 74 Cb 0.47 -0.35 0.02 0.00 2.34 0.00 0.00 41.12 43.61 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 -0.68 -3.45 -3.68 -0.67 3.00 -1.26 -4.99 116.66 104.93 2a2y n ARG 75 Ca 0.00 0.72 -0.15 0.00 -0.01 0.00 0.00 57.85 58.41 2a2y n ARG 75 Cb 0.35 -5.14 -0.08 0.00 0.00 0.00 0.00 32.46 27.59 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 -5.34 0.80 0.13 5.56 1.81 -1.24 -5.15 118.95 115.52 2a2y s ARG 76 Ca 0.20 -0.06 -0.21 0.00 -1.72 0.00 0.00 55.73 53.93 2a2y s ARG 76 Cb -0.09 0.37 -0.07 0.00 -0.45 0.00 0.00 34.95 34.70 2a2y s ARG 76 CO 0.25 -0.24 0.66 0.50 -0.68 0.00 0.00 175.30 175.79 2a2y s ARG 77 N -1.36 4.33 0.06 3.54 3.52 -1.26 0.11 118.95 127.89 2a2y s ARG 77 Ca -0.12 0.90 0.02 0.00 -0.13 0.00 0.00 55.73 56.39 2a2y s ARG 77 Cb -0.03 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2a2y s ARG 77 CO 0.06 0.58 -0.06 -1.50 -0.81 0.00 0.00 175.30 173.57 2a2y s ILE 78 N -1.18 0.50 0.43 4.11 2.07 0.95 -4.88 121.20 123.20 2a2y s ILE 78 Ca 0.33 -1.36 -0.11 0.00 -1.41 0.00 0.00 60.65 58.10 2a2y s ILE 78 Cb -0.20 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.38 2a2y s ILE 78 CO 0.22 -0.59 0.81 -0.44 -1.91 0.00 0.00 174.94 173.03 2a2y s SER 79 N -2.09 6.49 -0.01 4.50 0.01 -1.26 -0.36 113.70 120.98 2a2y s SER 79 Ca -0.03 1.17 0.01 0.00 1.31 0.00 0.00 55.95 58.41 2a2y s SER 79 Cb -0.04 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2a2y s SER 79 CO -0.02 -0.46 -0.03 -0.47 0.41 0.00 0.00 173.24 172.67 2a2y s TYR 80 N -2.47 0.29 -0.09 2.43 6.14 0.51 -1.52 117.35 122.64 2a2y s TYR 80 Ca 0.52 -0.05 0.04 0.00 0.64 0.00 0.00 57.07 58.22 2a2y s TYR 80 Cb -0.10 -0.23 -0.00 0.00 0.42 0.00 0.00 41.96 42.05 2a2y s TYR 80 CO 0.34 -0.03 -0.23 -1.50 0.64 0.00 0.00 175.55 174.76 2a2y s ILE 81 N 0.14 2.00 -0.25 3.14 2.07 -0.40 -0.75 121.20 127.15 2a2y s ILE 81 Ca -0.01 -0.99 -0.06 0.00 -1.41 0.00 0.00 60.65 58.18 2a2y s ILE 81 Cb -0.04 -1.73 -0.02 0.00 0.13 0.00 0.00 42.46 40.81 2a2y s ILE 81 CO -0.00 0.55 0.04 -0.76 -1.91 0.00 0.00 174.94 172.85 2a2y s LEU 82 N 0.31 3.33 -0.11 8.50 1.43 0.65 -2.29 118.68 130.49 2a2y s LEU 82 Ca -0.17 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2a2y s LEU 82 Cb -0.17 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2a2y s LEU 82 CO 0.08 -0.05 -0.16 -0.22 0.23 0.00 0.00 176.35 176.22 2a2y s LEU 83 N 1.56 1.78 0.50 1.79 0.20 -0.40 0.12 118.68 124.23 2a2y s LEU 83 Ca 0.06 -0.44 0.05 0.00 0.69 0.00 0.00 54.13 54.48 2a2y s LEU 83 Cb -0.15 -1.13 0.04 0.00 -0.43 0.00 0.00 46.19 44.52 2a2y s LEU 83 CO 0.01 0.03 0.70 -0.60 -0.29 0.00 0.00 176.35 176.20 2a2y s ARG 84 N 0.90 2.59 -0.24 1.98 3.52 0.41 0.73 118.95 128.84 2a2y s ARG 84 Ca -0.08 -1.12 -0.26 0.00 -0.13 0.00 0.00 55.73 54.14 2a2y s ARG 84 Cb -0.15 -2.62 0.07 0.00 -1.56 0.00 0.00 34.95 30.69 2a2y s ARG 84 CO -0.00 -0.57 0.73 -0.51 -0.81 0.00 0.00 175.30 174.13 2a2y s LEU 85 N -4.58 -0.72 0.07 -0.88 1.43 0.18 -4.34 118.68 109.84 2a2y s LEU 85 Ca 0.57 1.31 0.07 0.00 -1.03 0.00 0.00 54.13 55.05 2a2y s LEU 85 Cb -0.09 2.45 -0.03 0.00 0.03 0.00 0.00 46.19 48.55 2a2y s LEU 85 CO 0.36 -0.30 -0.18 -0.75 0.23 0.00 0.00 176.35 175.71 2a2y s LYS 86 N 0.12 1.07 -0.11 1.70 2.20 0.83 -1.44 119.74 124.12 2a2y s LYS 86 Ca -0.02 -0.99 -0.03 0.00 -0.36 0.00 0.00 55.97 54.57 2a2y s LYS 86 Cb -0.04 -1.19 -0.03 0.00 -1.51 0.00 0.00 37.83 35.05 2a2y s LYS 86 CO 0.02 0.29 0.02 1.03 -0.36 0.00 0.00 175.35 176.35 2a2y s ARG 87 N -1.57 3.22 0.00 4.03 1.81 -0.13 0.33 118.95 126.64 2a2y s ARG 87 Ca 0.04 -0.38 0.04 0.00 -1.72 0.00 0.00 55.73 53.71 2a2y s ARG 87 Cb -0.09 -2.90 0.00 0.00 -0.45 0.00 0.00 34.95 31.51 2a2y s ARG 87 CO 0.03 0.61 0.43 0.28 -0.68 0.00 0.00 175.30 175.97 2a2y n VAL 88 N 2.43 0.00 -0.49 3.52 0.31 -1.26 -4.91 118.33 117.94 2a2y n VAL 88 Ca -0.18 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2a2y n VAL 88 Cb 0.53 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51