#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 0.00 0.00 2.03 -4.23 -1.26 -5.03 115.64 107.15 2a2y s THR 2 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2a2y s THR 2 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2a2y s THR 2 CO 0.00 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.46 2a2y n GLU 3 N 3.72 0.00 -2.75 3.99 1.02 -1.26 -4.93 120.64 120.43 2a2y n GLU 3 Ca -0.18 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.87 2a2y n GLU 3 Cb 0.58 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.08 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 -1.13 1.11 -2.66 3.49 2.85 -1.26 -3.17 118.16 117.39 2a2y n LYS 4 Ca 0.00 -2.15 -0.04 0.00 -1.05 0.00 0.00 58.31 55.07 2a2y n LYS 4 Cb 0.00 -0.66 0.01 0.00 -0.65 0.00 0.00 35.03 33.73 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 -0.13 -1.25 -4.47 -5.58 7.94 -1.26 -4.61 117.00 107.65 2a2y n LEU 5 Ca 0.04 -2.02 -0.43 0.00 -1.11 0.00 0.00 56.01 52.48 2a2y n LEU 5 Cb 0.78 0.76 -0.05 0.00 0.53 0.00 0.00 43.42 45.44 2a2y n LEU 5 CO 0.03 1.27 0.48 0.21 -1.11 0.00 0.00 177.39 178.27 2a2y s ASN 6 N -0.32 6.26 -0.22 1.96 2.47 -1.14 -5.02 114.94 118.92 2a2y s ASN 6 Ca 0.07 -0.76 -0.16 0.00 0.42 0.00 0.00 52.86 52.42 2a2y s ASN 6 Cb 0.12 -2.34 -0.04 0.00 -1.45 0.00 0.00 41.25 37.55 2a2y s ASN 6 CO -0.04 -1.02 0.43 -1.83 -3.72 0.00 0.00 177.10 170.92 2a2y s GLU 7 N 3.08 4.14 0.09 0.43 -1.05 -1.26 -2.04 118.70 122.09 2a2y s GLU 7 Ca 0.20 0.23 0.05 0.00 -0.15 0.00 0.00 54.97 55.30 2a2y s GLU 7 Cb -0.17 -3.58 -0.03 0.00 -0.44 0.00 0.00 34.13 29.91 2a2y s GLU 7 CO 0.14 -0.14 -0.14 0.42 0.95 0.00 0.00 175.26 176.49 2a2y s ILE 8 N 1.63 1.17 -0.20 1.83 1.01 0.14 -4.90 121.20 121.90 2a2y s ILE 8 Ca 0.20 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 2a2y s ILE 8 Cb -0.15 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2a2y s ILE 8 CO 0.09 -0.31 0.06 0.54 0.00 0.00 0.00 174.94 175.32 2a2y s VAL 9 N -1.62 4.60 0.55 2.92 0.11 -1.26 -1.96 120.40 123.73 2a2y s VAL 9 Ca 0.02 -0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 2a2y s VAL 9 Cb -0.08 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.70 2a2y s VAL 9 CO 0.02 0.42 0.82 0.54 -3.33 0.00 0.00 175.10 173.57 2a2y s VAL 10 N 0.73 3.33 0.28 2.04 0.11 -0.70 -4.86 120.40 121.33 2a2y s VAL 10 Ca 0.03 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2a2y s VAL 10 Cb -0.13 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 2a2y s VAL 10 CO 0.02 -0.25 0.18 -0.13 -3.33 0.00 0.00 175.10 171.59 2a2y s ARG 11 N -4.84 1.51 0.03 1.54 0.52 -1.26 -4.81 118.95 111.64 2a2y s ARG 11 Ca 0.54 -1.85 0.23 0.00 -0.52 0.00 0.00 55.73 54.13 2a2y s ARG 11 Cb -0.10 0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.51 2a2y s ARG 11 CO 0.41 -0.48 1.01 0.36 0.02 0.00 0.00 175.30 176.63 2a2y n LYS 12 N -0.49 0.23 -0.02 3.54 2.85 -1.26 -3.66 118.16 119.35 2a2y n LYS 12 Ca 0.03 -0.01 0.13 0.00 -1.05 0.00 0.00 58.31 57.41 2a2y n LYS 12 Cb 0.65 -1.56 0.60 0.00 -0.65 0.00 0.00 35.03 34.06 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 -1.85 0.04 -5.02 0.58 5.66 -1.26 -4.68 114.28 107.75 2a2y n THR 13 Ca 0.02 -0.19 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 2a2y n THR 13 Cb 0.42 0.16 -0.17 0.00 -1.55 0.00 0.00 70.33 69.19 2a2y n THR 13 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2a2y s LYS 14 N -1.96 2.93 1.04 1.09 1.02 -1.24 -5.12 119.74 117.50 2a2y s LYS 14 Ca 0.38 -0.83 -0.18 0.00 0.02 0.00 0.00 55.97 55.36 2a2y s LYS 14 Cb 0.20 -2.26 0.26 0.00 -0.52 0.00 0.00 37.83 35.50 2a2y s LYS 14 CO 0.32 0.11 0.95 -1.71 -0.92 0.00 0.00 175.35 174.09 2a2y n ASN 15 N 3.70 -1.85 0.09 2.83 2.85 -1.26 -4.75 115.26 116.88 2a2y n ASN 15 Ca -0.19 -1.09 -0.03 0.00 -0.11 0.00 0.00 54.58 53.16 2a2y n ASN 15 Cb 0.52 -0.86 -0.06 0.00 1.24 0.00 0.00 39.78 40.63 2a2y n ASN 15 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2a2y h VAL 16 N -2.52 1.37 -0.00 3.44 -1.51 -1.94 -2.97 116.25 112.11 2a2y h VAL 16 Ca -0.35 -2.92 -0.08 0.00 -1.23 0.00 0.00 66.70 62.11 2a2y h VAL 16 Cb 1.07 2.67 0.01 0.00 -2.13 0.00 0.00 31.29 32.91 2a2y h VAL 16 CO 0.23 0.78 -0.32 -0.08 -1.23 0.00 0.00 177.57 176.95 2a2y h GLU 17 N 0.00 0.22 0.00 5.19 4.81 -1.96 -1.76 114.58 121.08 2a2y h GLU 17 Ca -0.01 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2a2y h GLU 17 Cb 1.61 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.05 2a2y h GLU 17 CO 0.10 0.96 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.82 2a2y h ASP 18 N -0.41 0.00 0.62 1.04 3.32 -1.92 -0.90 116.42 118.17 2a2y h ASP 18 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2a2y h ASP 18 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2a2y h ASP 18 CO 0.06 0.08 -0.95 1.57 -1.72 0.00 0.00 179.24 178.29 2a2y n HIS 19 N -4.25 0.44 0.08 4.55 -0.00 -1.12 -2.41 115.22 112.51 2a2y n HIS 19 Ca -0.03 0.13 -0.06 0.00 0.46 0.00 0.00 57.72 58.22 2a2y n HIS 19 Cb 0.16 -0.58 -0.04 0.00 -0.12 0.00 0.00 29.99 29.41 2a2y n HIS 19 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 2a2y h VAL 20 N 0.00 1.63 0.18 3.57 3.04 -0.38 -0.79 116.25 123.51 2a2y h VAL 20 Ca 0.00 -3.05 -0.01 0.00 -1.01 0.00 0.00 66.70 62.63 2a2y h VAL 20 Cb 0.78 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 32.72 2a2y h VAL 20 CO 0.00 0.87 -0.09 -0.07 -1.01 0.00 0.00 177.57 177.28 2a2y h LEU 21 N 0.01 -0.20 -1.75 3.16 3.38 -1.24 -0.11 115.31 118.56 2a2y h LEU 21 Ca -0.02 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2a2y h LEU 21 Cb 1.60 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2a2y h LEU 21 CO 0.12 0.27 -0.16 -0.78 0.09 0.00 0.00 178.44 177.98 2a2y h ASP 22 N -0.74 0.00 0.00 -0.43 1.82 -1.51 -1.78 116.42 113.79 2a2y h ASP 22 Ca -0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 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 0.04 0.16 -0.00 0.58 -1.61 0.00 0.00 179.24 178.41 2a2y h VAL 23 N 0.00 1.52 -0.04 2.25 2.07 -1.05 -2.95 116.25 118.05 2a2y h VAL 23 Ca -0.00 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 65.94 2a2y h VAL 23 Cb 0.39 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2a2y h VAL 23 CO 0.02 0.41 0.07 0.40 0.02 0.00 0.00 177.57 178.49 2a2y h ILE 24 N -0.69 0.34 -0.24 4.57 1.08 -0.73 -1.18 117.51 120.66 2a2y h ILE 24 Ca -0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.34 2a2y h ILE 24 Cb 0.68 0.94 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2a2y h ILE 24 CO 0.00 0.00 -0.35 0.58 -0.69 0.00 0.00 178.15 177.69 2a2y h VAL 25 N 0.00 1.32 -0.17 1.67 2.07 -1.16 -2.89 116.25 117.08 2a2y h VAL 25 Ca 0.02 -1.55 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 2a2y h VAL 25 Cb 0.17 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2a2y h VAL 25 CO -0.00 0.49 -0.36 -0.07 0.02 0.00 0.00 177.57 177.64 2a2y h LEU 26 N 0.36 0.38 -2.09 2.57 3.38 -1.11 -1.62 115.31 117.19 2a2y h LEU 26 Ca 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2a2y h LEU 26 Cb 0.94 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2a2y h LEU 26 CO 0.08 0.71 -0.06 0.15 0.09 0.00 0.00 178.44 179.41 2a2y h PHE 27 N 0.31 0.00 0.00 1.13 3.57 -1.41 0.67 116.94 121.20 2a2y h PHE 27 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2a2y h PHE 27 Cb 0.78 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 2a2y h PHE 27 CO 0.02 0.06 -0.12 -0.97 -2.23 0.00 0.00 178.31 175.07 2a2y h ASN 28 N 0.00 0.00 0.10 0.41 -0.73 -1.08 -0.67 115.58 113.61 2a2y h ASN 28 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2a2y h ASN 28 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 2a2y h ASN 28 CO 0.01 0.12 -0.09 0.00 -0.37 0.00 0.00 177.43 177.10 2a2y n GLN 29 N -3.85 1.28 0.00 6.67 6.02 0.19 -4.87 117.38 122.83 2a2y n GLN 29 Ca -0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.27 2a2y n GLN 29 Cb 0.22 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 1.22 1.24 3.59 1.08 0.00 -0.26 -4.91 105.19 107.15 2a2y n GLY 30 Ca 0.17 0.00 -0.42 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 3.86 -0.16 -0.61 -1.09 -0.99 -4.40 121.20 115.82 2a2y s ILE 31 Ca 0.00 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.22 2a2y s ILE 31 Cb 0.00 -4.34 -0.23 0.00 -1.58 0.00 0.00 42.46 36.31 2a2y s ILE 31 CO 0.00 -0.98 0.20 -0.90 -1.23 0.00 0.00 174.94 172.03 2a2y n ASP 32 N 9.18 1.86 -4.87 3.58 5.68 -1.19 -4.19 116.55 126.61 2a2y n ASP 32 Ca 0.14 0.11 -0.36 0.00 -0.50 0.00 0.00 54.79 54.19 2a2y n ASP 32 Cb 0.49 -0.56 -0.06 0.00 -1.14 0.00 0.00 41.12 39.85 2a2y n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2a2y s GLU 33 N -2.55 3.59 -0.17 0.11 2.02 -1.26 -1.09 118.70 119.36 2a2y s GLU 33 Ca -0.24 -0.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.59 2a2y s GLU 33 Cb 0.07 -3.15 0.04 0.00 0.10 0.00 0.00 34.13 31.20 2a2y s GLU 33 CO 0.73 0.71 0.44 0.54 0.02 0.00 0.00 175.26 177.70 2a2y s VAL 34 N -1.16 -0.00 -0.10 2.63 0.11 -0.41 -2.90 120.40 118.57 2a2y s VAL 34 Ca 0.22 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2a2y s VAL 34 Cb -0.13 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2a2y s VAL 34 CO 0.11 0.00 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.02 2a2y s ILE 35 N 0.24 2.00 -0.15 7.04 1.01 -0.86 -1.08 121.20 129.39 2a2y s ILE 35 Ca -0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 2a2y s ILE 35 Cb -0.03 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 2a2y s ILE 35 CO 0.01 0.55 -0.13 -0.76 0.00 0.00 0.00 174.94 174.60 2a2y s LEU 36 N 0.43 2.59 -0.22 2.97 1.02 -0.26 0.29 118.68 125.50 2a2y s LEU 36 Ca -0.17 -0.42 -0.11 0.00 0.02 0.00 0.00 54.13 53.45 2a2y s LEU 36 Cb -0.18 -1.60 -0.05 0.00 0.02 0.00 0.00 46.19 44.39 2a2y s LEU 36 CO 0.07 0.10 0.17 -0.75 0.02 0.00 0.00 176.35 175.96 2a2y s LYS 37 N 0.74 4.13 0.02 1.70 2.20 -0.83 -2.31 119.74 125.38 2a2y s LYS 37 Ca -0.06 -0.20 0.05 0.00 -0.36 0.00 0.00 55.97 55.40 2a2y s LYS 37 Cb -0.15 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2a2y s LYS 37 CO 0.01 0.15 -0.14 0.20 -0.36 0.00 0.00 175.35 175.21 2a2y s GLY 38 N 0.76 0.76 -0.02 5.54 0.00 -0.93 -1.72 107.32 111.71 2a2y s GLY 38 Ca 0.09 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.10 2a2y s GLY 38 CO 0.02 -0.68 -0.11 -0.51 0.00 0.00 0.00 173.10 171.82 2a2y s THR 39 N -0.63 0.91 0.00 0.90 -4.23 -1.26 -1.41 115.64 109.92 2a2y s THR 39 Ca 0.03 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2a2y s THR 39 Cb -0.07 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2a2y s THR 39 CO 0.01 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2a2y n GLY 40 N 2.96 0.12 0.06 3.99 0.00 -0.17 -0.29 105.19 111.87 2a2y n GLY 40 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.26 114.38 113.86 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 0.37 0.07 0.93 -1.07 0.00 0.00 179.97 180.27 2a2y h GLU 42 N -1.00 0.00 -0.61 0.04 5.08 -0.92 -1.70 114.58 115.47 2a2y h GLU 42 Ca -0.04 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2a2y h GLU 42 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2a2y h GLU 42 CO -0.02 0.00 0.42 0.97 -1.00 0.00 0.00 179.01 179.37 2a2y h ILE 43 N 0.00 0.83 0.00 3.13 2.10 -1.43 0.47 117.51 122.62 2a2y h ILE 43 Ca 0.00 -0.11 -0.08 0.00 1.08 0.00 0.00 64.86 65.75 2a2y h ILE 43 Cb 0.14 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 36.36 2a2y h ILE 43 CO 0.00 0.06 -1.04 0.28 -1.08 0.00 0.00 178.15 176.37 2a2y h SER 44 N 0.31 0.00 0.00 2.19 0.02 -1.49 -3.29 113.55 111.29 2a2y h SER 44 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2a2y h SER 44 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2a2y h SER 44 CO -0.07 0.29 0.00 0.29 -1.14 0.00 0.00 176.83 176.20 2a2y n LYS 45 N -2.86 0.00 -0.23 3.45 4.01 0.09 -0.30 118.16 122.32 2a2y n LYS 45 Ca -0.03 0.38 0.10 0.00 -0.51 0.00 0.00 58.31 58.24 2a2y n LYS 45 Cb 0.69 -1.32 0.19 0.00 -0.51 0.00 0.00 35.03 34.08 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 -1.64 0.33 0.29 7.82 0.00 -0.80 0.12 120.51 126.62 2a2y n ALA 46 Ca 0.00 0.71 -0.12 0.00 0.00 0.00 0.00 53.44 54.03 2a2y n ALA 46 Cb 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.18 0.00 2.07 -1.59 -1.73 116.25 114.82 2a2y h VAL 47 Ca 0.40 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.70 2a2y h VAL 47 Cb 0.81 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 2a2y h VAL 47 CO -0.63 0.00 -0.30 -0.78 0.02 0.00 0.00 177.57 175.89 2a2y h ASP 48 N -1.04 -0.93 -0.76 0.57 1.82 0.27 0.47 116.42 116.82 2a2y h ASP 48 Ca -0.08 0.15 0.09 0.00 -0.39 0.00 0.00 57.03 56.80 2a2y h ASP 48 Cb 0.59 0.41 -0.11 0.00 0.68 0.00 0.00 39.33 40.89 2a2y h ASP 48 CO 0.13 -0.33 -0.51 0.58 -1.61 0.00 0.00 179.24 177.49 2a2y h VAL 49 N -0.34 0.02 0.05 2.25 2.07 0.85 1.48 116.25 122.64 2a2y h VAL 49 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 2a2y h VAL 49 Cb 0.52 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2a2y h VAL 49 CO -0.37 0.00 -0.03 1.88 0.02 0.00 0.00 177.57 179.07 2a2y h TYR 50 N -0.15 -0.07 -0.22 1.57 -1.99 -0.35 0.30 116.97 116.06 2a2y h TYR 50 Ca 0.17 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.94 2a2y h TYR 50 Cb 0.52 0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.23 2a2y h TYR 50 CO -0.86 0.06 -0.03 -0.97 -0.00 0.00 0.00 178.16 176.37 2a2y h ASN 51 N -0.18 -0.15 -0.39 3.88 -1.24 0.13 1.35 115.58 118.98 2a2y h ASN 51 Ca -0.01 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2a2y h ASN 51 Cb 0.16 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 2a2y h ASN 51 CO 0.01 -0.04 0.26 0.77 -1.29 0.00 0.00 177.43 177.14 2a2y h SER 52 N 0.03 0.45 1.89 1.15 4.64 0.22 1.16 113.55 123.10 2a2y h SER 52 Ca 0.11 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2a2y h SER 52 Cb 0.15 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2a2y h SER 52 CO -0.20 0.32 0.00 0.25 -0.87 0.00 0.00 176.83 176.33 2a2y h LEU 53 N 0.53 0.00 0.13 5.97 5.85 0.22 -2.72 115.31 125.29 2a2y h LEU 53 Ca 0.14 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.66 2a2y h LEU 53 Cb -0.06 0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.99 2a2y h LEU 53 CO -0.03 0.00 -0.96 0.50 -0.34 0.00 0.00 178.44 177.61 2a2y h LYS 54 N 0.00 0.28 0.00 1.25 3.11 0.51 -2.75 116.57 118.97 2a2y h LYS 54 Ca 0.00 -0.48 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2a2y h LYS 54 Cb 0.95 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 2a2y h LYS 54 CO 0.00 1.23 0.01 -3.47 -2.81 0.00 0.00 179.45 174.41 2a2y n ASP 55 N -4.09 0.00 -0.03 4.20 2.03 0.37 -0.15 116.55 118.89 2a2y n ASP 55 Ca -0.17 0.29 -0.13 0.00 0.52 0.00 0.00 54.79 55.30 2a2y n ASP 55 Cb 0.84 -0.29 -0.10 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.08 0.00 -0.67 9.65 -1.16 -3.44 114.38 118.84 2a2y h ARG 56 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2a2y h ARG 56 Cb 0.02 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2a2y h ARG 56 CO 0.00 0.61 0.00 1.28 2.80 0.00 0.00 179.97 184.66 2a2y n LEU 57 N -4.75 0.00 0.00 3.80 4.77 -0.53 -5.01 117.00 115.27 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 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2a2y n LEU 57 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2a2y n GLY 58 N -0.02 0.31 0.13 -0.72 0.00 0.79 -4.16 105.19 101.53 2a2y n GLY 58 Ca 0.00 0.00 -0.15 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 0.44 -0.23 1.61 3.58 -1.95 -3.04 116.42 116.82 2a2y h ASP 59 Ca 0.00 -0.67 -0.10 0.00 0.42 0.00 0.00 57.03 56.68 2a2y h ASP 59 Cb 0.00 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 40.86 2a2y h ASP 59 CO 0.00 1.04 0.13 0.61 -2.88 0.00 0.00 179.24 178.14 2a2y n GLY 60 N 0.77 2.47 3.28 -0.78 0.00 -1.26 -4.32 105.19 105.36 2a2y n GLY 60 Ca -0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 -0.06 0.10 1.61 1.01 -1.15 -3.60 120.40 117.31 2a2y s VAL 61 Ca 0.15 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.25 2a2y s VAL 61 Cb 0.12 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2a2y s VAL 61 CO 0.03 0.04 -0.08 -1.10 0.00 0.00 0.00 175.10 173.99 2a2y s GLN 62 N 1.48 0.84 -0.37 2.72 -1.52 1.09 -4.67 119.66 119.24 2a2y s GLN 62 Ca -0.09 -1.25 -0.15 0.00 -1.95 0.00 0.00 55.36 51.91 2a2y s GLN 62 Cb -0.08 -0.37 -0.00 0.00 -0.22 0.00 0.00 33.01 32.33 2a2y s GLN 62 CO -0.13 0.03 0.36 -1.17 -0.25 0.00 0.00 175.29 174.13 2a2y s LEU 63 N -2.76 4.62 0.01 2.90 0.20 -1.26 0.32 118.68 122.71 2a2y s LEU 63 Ca 0.09 -0.43 0.20 0.00 0.69 0.00 0.00 54.13 54.68 2a2y s LEU 63 Cb 0.01 -2.32 -0.20 0.00 -0.43 0.00 0.00 46.19 43.25 2a2y s LEU 63 CO -0.02 -0.40 0.61 1.33 -0.29 0.00 0.00 176.35 177.58 2a2y n VAL 64 N 5.27 0.69 -3.56 1.68 0.24 -1.26 -4.84 118.33 116.55 2a2y n VAL 64 Ca -0.09 -0.62 -0.07 0.00 -2.04 0.00 0.00 64.34 61.51 2a2y n VAL 64 Cb 0.49 -0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.48 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 -5.20 -0.26 -0.28 -1.34 0.02 -1.26 -5.00 114.94 101.61 2a2y s ASN 65 Ca -0.05 0.09 -0.19 0.00 -1.02 0.00 0.00 52.86 51.69 2a2y s ASN 65 Cb 0.10 0.26 0.10 0.00 0.02 0.00 0.00 41.25 41.73 2a2y s ASN 65 CO 0.85 -0.39 0.81 0.54 0.02 0.00 0.00 177.10 178.93 2a2y s VAL 66 N -2.30 0.00 0.13 1.60 0.11 -1.26 -0.25 120.40 118.42 2a2y s VAL 66 Ca 0.05 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2a2y s VAL 66 Cb -0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2a2y s VAL 66 CO -0.05 0.00 0.20 -1.58 -3.33 0.00 0.00 175.10 170.34 2a2y s GLN 67 N 1.15 0.98 0.02 1.54 0.74 0.27 -5.00 119.66 119.37 2a2y s GLN 67 Ca -0.06 -1.14 0.01 0.00 0.05 0.00 0.00 55.36 54.22 2a2y s GLN 67 Cb -0.05 0.34 -0.02 0.00 1.10 0.00 0.00 33.01 34.38 2a2y s GLN 67 CO -0.13 -0.33 -0.04 0.95 -0.55 0.00 0.00 175.29 175.19 2a2y s THR 68 N -3.94 0.23 -0.16 -0.34 -4.23 -1.26 0.20 115.64 106.14 2a2y s THR 68 Ca 0.13 -0.87 -0.34 0.00 -1.18 0.00 0.00 61.69 59.42 2a2y s THR 68 Cb 0.05 -0.34 0.13 0.00 1.34 0.00 0.00 72.50 73.68 2a2y s THR 68 CO -0.04 -0.41 1.18 -0.83 -0.54 0.00 0.00 174.62 173.97 2a2y s GLY 69 N -1.35 -0.31 0.22 3.99 0.00 -0.79 -4.96 107.32 104.13 2a2y s GLY 69 Ca -0.13 1.50 0.05 0.00 0.00 0.00 0.00 44.72 46.15 2a2y s GLY 69 CO -0.01 0.50 0.29 -1.35 0.00 0.00 0.00 173.10 172.53 2a2y s SER 70 N -2.24 6.05 0.31 1.64 1.04 -1.26 -1.28 113.70 117.95 2a2y s SER 70 Ca 0.09 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.38 2a2y s SER 70 Cb -0.01 -1.71 0.02 0.00 0.10 0.00 0.00 66.02 64.42 2a2y s SER 70 CO -0.05 -0.03 0.59 -1.83 0.98 0.00 0.00 173.24 172.90 2a2y s GLU 71 N -3.76 1.83 0.02 4.02 4.04 0.62 -4.89 118.70 120.57 2a2y s GLU 71 Ca 0.34 -1.37 -0.18 0.00 0.04 0.00 0.00 54.97 53.80 2a2y s GLU 71 Cb -0.09 0.52 -0.06 0.00 0.02 0.00 0.00 34.13 34.52 2a2y s GLU 71 CO 0.27 -0.80 0.51 0.08 -1.84 0.00 0.00 175.26 173.48 2a2y s VAL 72 N -3.39 4.90 -0.28 1.83 1.01 -1.26 -0.16 120.40 123.06 2a2y s VAL 72 Ca 0.21 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 2a2y s VAL 72 Cb -0.03 -3.83 0.14 0.00 0.00 0.00 0.00 36.38 32.66 2a2y s VAL 72 CO 0.12 0.53 0.31 -0.60 0.00 0.00 0.00 175.10 175.46 2a2y s ARG 73 N -0.83 0.33 0.00 2.72 3.52 0.60 -4.88 118.95 120.41 2a2y s ARG 73 Ca 0.27 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 2a2y s ARG 73 Cb -0.18 -0.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.58 2a2y s ARG 73 CO 0.16 -0.96 0.00 -3.47 -0.81 0.00 0.00 175.30 170.22 2a2y n ASP 74 N 5.32 -1.09 -1.54 -2.12 2.03 -1.26 -3.90 116.55 113.99 2a2y n ASP 74 Ca -0.02 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.16 2a2y n ASP 74 Cb 0.47 -0.34 -0.00 0.00 -0.72 0.00 0.00 41.12 40.53 2a2y n ASP 74 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2a2y n ARG 75 N -0.60 -1.31 -3.72 -0.67 3.00 -1.26 -4.99 116.66 107.11 2a2y n ARG 75 Ca 0.00 0.62 -0.13 0.00 -0.00 0.00 0.00 57.85 58.34 2a2y n ARG 75 Cb 0.34 -4.83 -0.08 0.00 0.00 0.00 0.00 32.46 27.89 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 -4.73 0.77 0.10 -0.14 6.06 -1.25 -5.14 118.95 114.63 2a2y s ARG 76 Ca 0.03 -0.23 -0.24 0.00 -2.50 0.00 0.00 55.73 52.78 2a2y s ARG 76 Cb -0.01 0.34 -0.07 0.00 0.06 0.00 0.00 34.95 35.27 2a2y s ARG 76 CO 0.03 -0.23 0.73 0.50 -2.50 0.00 0.00 175.30 173.83 2a2y s ARG 77 N -1.72 4.48 0.04 5.12 3.52 -1.26 -0.29 118.95 128.84 2a2y s ARG 77 Ca -0.10 1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 56.49 2a2y s ARG 77 Cb -0.03 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 2a2y s ARG 77 CO 0.02 0.48 0.08 -1.50 -0.81 0.00 0.00 175.30 173.57 2a2y s ILE 78 N -0.74 0.15 0.35 4.11 2.07 0.78 -4.89 121.20 123.02 2a2y s ILE 78 Ca 0.35 -1.20 -0.06 0.00 -1.41 0.00 0.00 60.65 58.34 2a2y s ILE 78 Cb -0.21 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.32 2a2y s ILE 78 CO 0.24 -0.66 0.63 -0.94 -1.91 0.00 0.00 174.94 172.30 2a2y s SER 79 N -2.29 6.43 0.00 4.50 1.04 -1.26 -0.28 113.70 121.85 2a2y s SER 79 Ca -0.03 0.82 -0.04 0.00 0.48 0.00 0.00 55.95 57.19 2a2y s SER 79 Cb 0.00 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.93 2a2y s SER 79 CO -0.06 -0.30 0.06 -0.72 0.98 0.00 0.00 173.24 173.20 2a2y s TYR 80 N -2.25 0.11 -0.06 5.02 -0.85 -0.40 -1.00 117.35 117.91 2a2y s TYR 80 Ca 0.46 -0.23 0.05 0.00 -0.52 0.00 0.00 57.07 56.82 2a2y s TYR 80 Cb -0.10 -0.09 -0.00 0.00 0.38 0.00 0.00 41.96 42.14 2a2y s TYR 80 CO 0.33 -0.21 -0.21 0.96 -1.52 0.00 0.00 175.55 174.90 2a2y s ILE 81 N -1.19 1.73 -0.20 -3.49 -5.25 -0.50 -1.88 121.20 110.43 2a2y s ILE 81 Ca -0.13 -0.87 -0.06 0.00 -0.99 0.00 0.00 60.65 58.61 2a2y s ILE 81 Cb -0.07 -1.49 -0.03 0.00 2.95 0.00 0.00 42.46 43.82 2a2y s ILE 81 CO 0.00 0.49 0.02 -0.76 -1.79 0.00 0.00 174.94 172.90 2a2y s LEU 82 N 0.10 3.44 -0.08 0.37 1.43 0.54 -2.20 118.68 122.27 2a2y s LEU 82 Ca -0.08 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2a2y s LEU 82 Cb -0.14 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2a2y s LEU 82 CO 0.04 0.09 -0.06 -0.22 0.23 0.00 0.00 176.35 176.43 2a2y s LEU 83 N 0.84 1.18 0.34 1.79 0.20 -0.98 -0.57 118.68 121.49 2a2y s LEU 83 Ca 0.02 -0.22 0.07 0.00 0.69 0.00 0.00 54.13 54.68 2a2y s LEU 83 Cb -0.14 -0.68 -0.01 0.00 -0.43 0.00 0.00 46.19 44.92 2a2y s LEU 83 CO 0.02 -0.09 0.41 -0.60 -0.29 0.00 0.00 176.35 175.80 2a2y s ARG 84 N 1.42 2.94 -0.15 1.98 3.52 0.65 -1.10 118.95 128.22 2a2y s ARG 84 Ca -0.02 -1.14 -0.25 0.00 -0.13 0.00 0.00 55.73 54.19 2a2y s ARG 84 Cb -0.13 -2.68 0.06 0.00 -1.56 0.00 0.00 34.95 30.64 2a2y s ARG 84 CO -0.04 0.05 0.62 -1.17 -0.81 0.00 0.00 175.30 173.95 2a2y s LEU 85 N -4.12 -0.38 0.03 -0.88 2.96 -0.24 -4.21 118.68 111.84 2a2y s LEU 85 Ca 0.44 0.95 0.06 0.00 -0.22 0.00 0.00 54.13 55.37 2a2y s LEU 85 Cb -0.08 2.22 -0.02 0.00 0.50 0.00 0.00 46.19 48.81 2a2y s LEU 85 CO 0.29 -0.39 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.01 2a2y s LYS 86 N -0.39 1.29 -0.07 1.98 2.36 0.97 -1.29 119.74 124.59 2a2y s LYS 86 Ca -0.05 -0.81 -0.11 0.00 -2.55 0.00 0.00 55.97 52.45 2a2y s LYS 86 Cb -0.03 -1.34 -0.05 0.00 -1.05 0.00 0.00 37.83 35.36 2a2y s LYS 86 CO 0.05 0.35 0.26 1.03 1.55 0.00 0.00 175.35 178.59 2a2y s ARG 87 N -0.95 3.72 0.00 4.03 1.81 -0.25 0.35 118.95 127.66 2a2y s ARG 87 Ca 0.06 0.11 0.03 0.00 -1.72 0.00 0.00 55.73 54.21 2a2y s ARG 87 Cb -0.08 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.16 2a2y s ARG 87 CO 0.01 0.69 0.15 0.28 -0.68 0.00 0.00 175.30 175.75 2a2y n VAL 88 N 2.06 0.00 -1.41 3.52 0.31 -1.24 -4.89 118.33 116.69 2a2y n VAL 88 Ca -0.17 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2a2y n VAL 88 Cb 0.54 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.47 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51