#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 1.06 1.48 2.03 -1.04 -1.26 -4.78 114.28 111.77 2a2y n THR 2 Ca 0.00 -2.29 0.14 0.00 -2.04 0.00 0.00 64.05 59.87 2a2y n THR 2 Cb 0.00 0.54 0.68 0.00 -1.82 0.00 0.00 70.33 69.73 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 -0.24 0.71 -2.71 -2.82 1.02 -1.26 -4.20 120.64 111.13 2a2y n GLU 3 Ca 0.13 -0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 57.01 2a2y n GLU 3 Cb 0.95 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.97 2a2y n GLU 3 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2a2y n LYS 4 N -0.99 1.06 -2.37 3.49 2.85 -1.26 -2.25 118.16 118.70 2a2y n LYS 4 Ca 0.16 -1.84 -0.03 0.00 -1.05 0.00 0.00 58.31 55.55 2a2y n LYS 4 Cb 0.25 -0.58 0.02 0.00 -0.65 0.00 0.00 35.03 34.08 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 -0.97 -4.55 -5.58 7.94 -1.26 -4.66 117.00 107.86 2a2y n LEU 5 Ca 0.01 -1.93 -0.42 0.00 -1.11 0.00 0.00 56.01 52.56 2a2y n LEU 5 Cb 0.76 0.71 -0.06 0.00 0.53 0.00 0.00 43.42 45.36 2a2y n LEU 5 CO -0.02 1.25 0.43 0.21 -1.11 0.00 0.00 177.39 178.15 2a2y s ASN 6 N -0.35 6.39 -0.27 1.96 2.47 -1.19 -4.97 114.94 118.98 2a2y s ASN 6 Ca 0.05 -0.06 -0.18 0.00 0.42 0.00 0.00 52.86 53.09 2a2y s ASN 6 Cb 0.13 -2.34 -0.02 0.00 -1.45 0.00 0.00 41.25 37.56 2a2y s ASN 6 CO -0.03 -0.72 0.54 -1.83 -3.72 0.00 0.00 177.10 171.33 2a2y s GLU 7 N 2.88 4.03 0.08 0.43 -1.05 -1.26 -2.15 118.70 121.66 2a2y s GLU 7 Ca 0.25 0.32 0.08 0.00 -0.15 0.00 0.00 54.97 55.47 2a2y s GLU 7 Cb -0.14 -3.67 -0.03 0.00 -0.44 0.00 0.00 34.13 29.85 2a2y s GLU 7 CO 0.18 -0.40 -0.21 0.42 0.95 0.00 0.00 175.26 176.20 2a2y s ILE 8 N 2.37 1.75 -0.14 1.83 -1.09 0.15 -4.89 121.20 121.18 2a2y s ILE 8 Ca 0.22 -1.43 -0.02 0.00 -2.23 0.00 0.00 60.65 57.19 2a2y s ILE 8 Cb -0.16 -1.56 -0.02 0.00 -1.58 0.00 0.00 42.46 39.15 2a2y s ILE 8 CO 0.10 0.06 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.09 2a2y s VAL 9 N -1.01 3.47 0.49 2.92 1.01 -1.26 -1.84 120.40 124.18 2a2y s VAL 9 Ca 0.07 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2a2y s VAL 9 Cb -0.10 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2a2y s VAL 9 CO 0.03 0.51 0.78 0.54 0.00 0.00 0.00 175.10 176.96 2a2y s VAL 10 N 0.31 4.57 0.22 2.92 0.11 0.37 -4.83 120.40 124.07 2a2y s VAL 10 Ca -0.07 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2a2y s VAL 10 Cb -0.15 -3.74 -0.05 0.00 -1.53 0.00 0.00 36.38 30.91 2a2y s VAL 10 CO 0.04 -0.69 0.02 -0.13 -3.33 0.00 0.00 175.10 171.02 2a2y s ARG 11 N -4.74 1.30 0.27 1.54 0.52 -1.26 -4.67 118.95 111.90 2a2y s ARG 11 Ca 0.48 -1.66 0.15 0.00 -0.52 0.00 0.00 55.73 54.18 2a2y s ARG 11 Cb -0.10 -0.44 0.05 0.00 0.52 0.00 0.00 34.95 34.98 2a2y s ARG 11 CO 0.43 -0.16 1.42 1.57 0.02 0.00 0.00 175.30 178.59 2a2y h LYS 12 N 2.50 0.00 0.40 3.54 5.09 -1.89 -3.31 116.57 122.91 2a2y h LYS 12 Ca -0.38 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.34 2a2y h LYS 12 Cb 1.22 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.56 2a2y h LYS 12 CO 0.63 0.52 -0.19 1.79 -2.09 0.00 0.00 179.45 180.11 2a2y h THR 13 N 0.00 0.00 -2.47 0.07 1.35 -1.98 -3.43 112.91 106.45 2a2y h THR 13 Ca -0.01 -0.30 -0.58 0.00 -0.55 0.00 0.00 66.41 64.97 2a2y h THR 13 Cb 1.41 0.00 0.07 0.00 -1.73 0.00 0.00 68.15 67.90 2a2y h THR 13 CO 0.07 0.00 0.74 0.29 -0.25 0.00 0.00 175.52 176.37 2a2y n LYS 14 N -4.29 2.15 -1.26 4.72 4.01 -1.25 -4.96 118.16 117.27 2a2y n LYS 14 Ca -0.07 0.77 -0.30 0.00 -0.51 0.00 0.00 58.31 58.20 2a2y n LYS 14 Cb 0.21 -2.50 0.25 0.00 -0.51 0.00 0.00 35.03 32.48 2a2y n LYS 14 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2a2y s ASN 15 N 0.67 1.00 0.20 4.39 0.01 -1.26 -4.66 114.94 115.28 2a2y s ASN 15 Ca 0.74 0.40 0.02 0.00 -0.71 0.00 0.00 52.86 53.31 2a2y s ASN 15 Cb -0.66 -0.48 0.12 0.00 0.41 0.00 0.00 41.25 40.64 2a2y s ASN 15 CO 0.42 -4.05 1.47 -0.37 -1.51 0.00 0.00 177.10 173.06 2a2y h VAL 16 N -2.54 1.41 -0.15 1.60 -1.51 -1.93 -2.92 116.25 110.21 2a2y h VAL 16 Ca -0.42 -2.18 -0.19 0.00 -1.23 0.00 0.00 66.70 62.67 2a2y h VAL 16 Cb 1.27 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.57 2a2y h VAL 16 CO 0.28 0.65 -0.68 -0.08 -1.23 0.00 0.00 177.57 176.51 2a2y h GLU 17 N 0.20 0.63 -0.31 5.19 4.81 -1.96 -2.26 114.58 120.88 2a2y h GLU 17 Ca -0.02 -0.47 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2a2y h GLU 17 Cb 1.27 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 2a2y h GLU 17 CO 0.11 1.09 0.21 -0.44 -0.73 0.00 0.00 179.01 179.25 2a2y h ASP 18 N 0.45 0.15 0.55 1.04 3.32 -1.86 -0.11 116.42 119.96 2a2y h ASP 18 Ca -0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2a2y h ASP 18 Cb 1.27 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2a2y h ASP 18 CO 0.13 0.10 -1.19 1.41 -1.72 0.00 0.00 179.24 177.98 2a2y n HIS 19 N -4.48 0.45 0.04 4.55 8.25 -1.16 -2.31 115.22 120.56 2a2y n HIS 19 Ca 0.03 0.13 -0.05 0.00 -0.26 0.00 0.00 57.72 57.57 2a2y n HIS 19 Cb 0.25 -0.62 0.15 0.00 1.12 0.00 0.00 29.99 30.89 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 1.32 0.06 1.59 3.04 -0.59 0.56 116.25 122.23 2a2y h VAL 20 Ca 0.00 -1.62 -0.00 0.00 -1.01 0.00 0.00 66.70 64.07 2a2y h VAL 20 Cb 0.87 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2a2y h VAL 20 CO 0.00 0.50 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.96 2a2y h LEU 21 N 0.32 -0.06 -1.24 3.16 3.38 -1.10 -0.58 115.31 119.18 2a2y h LEU 21 Ca 0.02 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 2a2y h LEU 21 Cb 0.91 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2a2y h LEU 21 CO 0.08 0.45 -0.32 -0.78 0.09 0.00 0.00 178.44 177.96 2a2y h ASP 22 N -0.60 0.10 0.25 -0.43 3.58 -1.31 -1.69 116.42 116.32 2a2y h ASP 22 Ca -0.01 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2a2y h ASP 22 Cb 0.52 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2a2y h ASP 22 CO 0.01 0.42 -0.12 0.58 -2.88 0.00 0.00 179.24 177.25 2a2y h VAL 23 N 0.09 0.68 0.00 2.25 2.07 0.19 -2.30 116.25 119.23 2a2y h VAL 23 Ca 0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2a2y h VAL 23 Cb 0.61 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2a2y h VAL 23 CO 0.04 0.15 0.00 -0.29 0.02 0.00 0.00 177.57 177.50 2a2y h ILE 24 N -0.87 0.00 -0.11 4.57 2.10 -1.07 -0.97 117.51 121.16 2a2y h ILE 24 Ca -0.03 -0.04 -0.16 0.00 1.08 0.00 0.00 64.86 65.71 2a2y h ILE 24 Cb 0.51 1.02 0.01 0.00 -1.09 0.00 0.00 36.82 37.27 2a2y h ILE 24 CO 0.06 0.00 -0.54 0.58 -1.08 0.00 0.00 178.15 177.16 2a2y h VAL 25 N 0.00 1.35 -0.32 2.19 2.07 -1.08 -2.93 116.25 117.53 2a2y h VAL 25 Ca 0.00 -1.85 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 2a2y h VAL 25 Cb 0.04 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2a2y h VAL 25 CO 0.00 0.56 -0.11 -0.07 0.02 0.00 0.00 177.57 177.97 2a2y h LEU 26 N 0.19 0.52 -1.86 2.57 3.38 -0.62 -0.96 115.31 118.54 2a2y h LEU 26 Ca -0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2a2y h LEU 26 Cb 1.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2a2y h LEU 26 CO 0.11 0.67 -0.14 0.15 0.09 0.00 0.00 178.44 179.33 2a2y h PHE 27 N 0.50 0.00 0.00 1.13 3.57 -1.45 -0.51 116.94 120.18 2a2y h PHE 27 Ca 0.09 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2a2y h PHE 27 Cb 0.50 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2a2y h PHE 27 CO 0.02 0.14 -0.08 -0.97 -2.23 0.00 0.00 178.31 175.18 2a2y h ASN 28 N 0.00 0.00 -0.08 0.41 -0.73 -0.98 -0.02 115.58 114.19 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 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2a2y h ASN 28 CO 0.02 0.08 0.00 0.00 -0.37 0.00 0.00 177.43 177.16 2a2y n GLN 29 N -3.99 1.72 0.00 6.67 6.02 -0.24 -4.86 117.38 122.69 2a2y n GLN 29 Ca -0.03 -1.06 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 2a2y n GLN 29 Cb 0.17 -1.45 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 1.17 1.06 3.60 1.08 0.00 -0.02 -4.96 105.19 107.11 2a2y n GLY 30 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2a2y n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a2y s ILE 31 N -2.00 3.91 -2.35 -0.61 -1.09 -0.94 -4.40 121.20 113.73 2a2y s ILE 31 Ca 0.00 0.90 0.23 0.00 -2.23 0.00 0.00 60.65 59.56 2a2y s ILE 31 Cb 0.00 -4.27 0.49 0.00 -1.58 0.00 0.00 42.46 37.10 2a2y s ILE 31 CO 0.00 -0.84 1.45 0.47 -1.23 0.00 0.00 174.94 174.79 2a2y n ASP 32 N 8.88 3.63 -3.82 3.58 8.00 -0.95 -4.08 116.55 131.79 2a2y n ASP 32 Ca 0.16 -2.00 -0.12 0.00 0.71 0.00 0.00 54.79 53.54 2a2y n ASP 32 Cb 0.48 -0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.35 0.47 -0.17 -1.24 2.02 -1.26 -0.49 118.70 116.67 2a2y s GLU 33 Ca 0.42 -0.14 -0.20 0.00 0.02 0.00 0.00 54.97 55.07 2a2y s GLU 33 Cb 0.24 0.21 0.05 0.00 0.10 0.00 0.00 34.13 34.73 2a2y s GLU 33 CO 0.32 -0.11 0.55 0.54 0.02 0.00 0.00 175.26 176.59 2a2y s VAL 34 N -0.94 0.00 -0.20 2.63 0.11 -0.41 -3.18 120.40 118.41 2a2y s VAL 34 Ca -0.10 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2a2y s VAL 34 Cb -0.05 -0.79 -0.00 0.00 -1.53 0.00 0.00 36.38 34.01 2a2y s VAL 34 CO 0.02 -0.02 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.04 2a2y s ILE 35 N -0.02 2.97 -0.24 7.04 1.01 -0.91 -0.54 121.20 130.50 2a2y s ILE 35 Ca -0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 2a2y s ILE 35 Cb -0.04 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2a2y s ILE 35 CO 0.02 0.46 0.08 -0.76 0.00 0.00 0.00 174.94 174.75 2a2y s LEU 36 N 1.36 3.54 -0.13 2.97 1.02 0.20 0.33 118.68 127.97 2a2y s LEU 36 Ca 0.05 -0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.01 2a2y s LEU 36 Cb -0.14 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 2a2y s LEU 36 CO -0.06 -0.01 -0.02 -0.54 0.02 0.00 0.00 176.35 175.75 2a2y s LYS 37 N 1.47 3.47 0.05 1.70 1.02 -0.76 -1.31 119.74 125.38 2a2y s LYS 37 Ca 0.06 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.51 2a2y s LYS 37 Cb -0.15 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2a2y s LYS 37 CO 0.04 0.39 0.11 0.20 -0.92 0.00 0.00 175.35 175.17 2a2y s GLY 38 N -0.03 0.19 0.02 -3.33 0.00 -0.90 -0.48 107.32 102.78 2a2y s GLY 38 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 44.72 44.10 2a2y s GLY 38 CO 0.02 -0.81 -0.04 -0.51 0.00 0.00 0.00 173.10 171.76 2a2y s THR 39 N -3.19 0.28 0.00 0.90 -4.23 -1.26 -0.86 115.64 107.28 2a2y s THR 39 Ca -0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2a2y s THR 39 Cb 0.02 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.54 2a2y s THR 39 CO -0.07 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 2a2y n GLY 40 N 2.24 0.33 0.07 3.99 0.00 -0.87 0.33 105.19 111.28 2a2y n GLY 40 Ca -0.18 0.00 -0.11 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 -3.28 114.38 110.76 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 0.74 0.00 0.93 -0.00 0.00 0.00 179.97 181.64 2a2y h GLU 42 N -1.00 0.00 -0.79 0.08 5.08 -0.40 -2.55 114.58 115.00 2a2y h GLU 42 Ca -0.01 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 2a2y h GLU 42 Cb 0.75 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 2a2y h GLU 42 CO -0.00 0.00 0.52 0.97 -1.00 0.00 0.00 179.01 179.50 2a2y h ILE 43 N 0.00 0.84 0.00 3.13 2.10 -1.46 0.16 117.51 122.28 2a2y h ILE 43 Ca 0.00 -0.19 -0.06 0.00 1.08 0.00 0.00 64.86 65.69 2a2y h ILE 43 Cb 0.13 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 36.09 2a2y h ILE 43 CO 0.00 0.10 -0.58 0.77 -1.08 0.00 0.00 178.15 177.37 2a2y h SER 44 N 0.55 0.00 0.06 2.19 4.64 -1.63 -3.21 113.55 116.14 2a2y h SER 44 Ca 0.39 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2a2y h SER 44 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2a2y h SER 44 CO -0.15 0.27 -0.03 0.11 -0.87 0.00 0.00 176.83 176.17 2a2y h LYS 45 N 0.00 -0.07 -0.85 4.77 6.56 -1.07 0.15 116.57 126.06 2a2y h LYS 45 Ca -0.03 0.00 0.32 0.00 -1.06 0.00 0.00 60.65 59.89 2a2y h LYS 45 Cb 1.23 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.79 2a2y h LYS 45 CO 0.03 -0.05 0.51 0.00 -2.06 0.00 0.00 179.45 177.88 2a2y n ALA 46 N -2.05 0.85 -0.30 3.86 0.00 -0.85 -0.87 120.51 121.16 2a2y n ALA 46 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2a2y n ALA 46 Cb 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -4.37 0.00 -0.37 0.00 0.31 -0.98 -2.65 118.33 110.28 2a2y n VAL 47 Ca 0.28 0.65 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 2a2y n VAL 47 Cb 1.02 -1.44 0.06 0.00 -0.91 0.00 0.00 33.84 32.57 2a2y n VAL 47 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2a2y h ASP 48 N 0.00 -1.31 -0.40 4.52 1.82 0.80 0.40 116.42 122.25 2a2y h ASP 48 Ca 0.00 0.30 0.06 0.00 -0.39 0.00 0.00 57.03 57.00 2a2y h ASP 48 Cb 0.00 0.72 -0.05 0.00 0.68 0.00 0.00 39.33 40.68 2a2y h ASP 48 CO 0.00 -0.30 0.11 1.62 -1.61 0.00 0.00 179.24 179.06 2a2y h VAL 49 N -0.01 0.83 0.46 2.25 3.04 -1.16 1.37 116.25 123.04 2a2y h VAL 49 Ca 0.37 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.95 2a2y h VAL 49 Cb 0.62 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2a2y h VAL 49 CO -0.98 0.05 -0.22 0.22 -1.01 0.00 0.00 177.57 175.63 2a2y h TYR 50 N 0.25 -0.58 -0.31 3.17 3.20 -0.11 1.55 116.97 124.15 2a2y h TYR 50 Ca 0.19 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2a2y h TYR 50 Cb 0.20 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 2a2y h TYR 50 CO -0.17 -0.32 0.05 -0.97 -1.64 0.00 0.00 178.16 175.11 2a2y h ASN 51 N -0.69 -0.01 -0.23 -2.11 -0.73 -0.42 2.34 115.58 113.74 2a2y h ASN 51 Ca -0.06 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 2a2y h ASN 51 Cb 0.51 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 2a2y h ASN 51 CO 0.10 0.03 0.13 0.28 -0.37 0.00 0.00 177.43 177.61 2a2y h SER 52 N 0.16 0.31 1.85 1.15 0.02 0.21 1.78 113.55 119.04 2a2y h SER 52 Ca 0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2a2y h SER 52 Cb 0.16 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2a2y h SER 52 CO -0.20 0.26 -0.15 0.25 -1.14 0.00 0.00 176.83 175.85 2a2y h LEU 53 N 0.36 0.00 0.09 5.07 5.85 0.58 -2.77 115.31 124.48 2a2y h LEU 53 Ca 0.09 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 2a2y h LEU 53 Cb 0.03 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.06 2a2y h LEU 53 CO -0.01 0.09 -0.64 0.50 -0.34 0.00 0.00 178.44 178.03 2a2y h LYS 54 N 0.00 0.18 0.00 1.25 3.11 0.73 -2.81 116.57 119.03 2a2y h LYS 54 Ca -0.00 -0.31 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 2a2y h LYS 54 Cb 1.07 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 2a2y h LYS 54 CO 0.01 1.15 0.04 -3.47 -2.81 0.00 0.00 179.45 174.37 2a2y n ASP 55 N -4.27 0.00 -0.00 4.20 2.03 0.57 -0.33 116.55 118.75 2a2y n ASP 55 Ca -0.15 0.29 -0.13 0.00 0.52 0.00 0.00 54.79 55.32 2a2y n ASP 55 Cb 0.71 -0.29 -0.10 0.00 -0.72 0.00 0.00 41.12 40.73 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 -0.03 0.00 -0.67 2.43 -1.21 -3.44 114.38 111.47 2a2y h ARG 56 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2a2y h ARG 56 Cb 0.08 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2a2y h ARG 56 CO 0.00 0.47 0.00 1.28 -1.51 0.00 0.00 179.97 180.21 2a2y n LEU 57 N -4.86 0.00 0.00 3.80 4.77 -0.51 -5.02 117.00 115.18 2a2y n LEU 57 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2a2y n LEU 57 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2a2y n LEU 57 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2a2y n GLY 58 N 0.00 0.26 0.11 -0.72 0.00 0.56 -4.13 105.19 101.27 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 0.27 -0.07 1.61 3.58 -1.95 -3.09 116.42 116.77 2a2y h ASP 59 Ca 0.00 -0.72 -0.03 0.00 0.42 0.00 0.00 57.03 56.70 2a2y h ASP 59 Cb 0.00 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2a2y h ASP 59 CO 0.00 0.95 0.04 0.61 -2.88 0.00 0.00 179.24 177.96 2a2y n GLY 60 N 0.88 2.05 3.40 -0.78 0.00 -1.26 -4.13 105.19 105.35 2a2y n GLY 60 Ca -0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.52 -0.01 0.04 1.61 1.01 -1.17 -4.06 120.40 117.30 2a2y s VAL 61 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2a2y s VAL 61 Cb 0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 2a2y s VAL 61 CO 0.01 0.01 -0.04 -1.10 0.00 0.00 0.00 175.10 173.98 2a2y s GLN 62 N 0.72 0.49 -0.44 2.72 -1.52 0.95 -4.68 119.66 117.90 2a2y s GLN 62 Ca -0.04 -0.89 -0.18 0.00 -1.95 0.00 0.00 55.36 52.31 2a2y s GLN 62 Cb -0.05 0.04 0.03 0.00 -0.22 0.00 0.00 33.01 32.81 2a2y s GLN 62 CO -0.05 -0.05 0.49 -1.17 -0.25 0.00 0.00 175.29 174.26 2a2y s LEU 63 N -2.06 4.87 -0.07 2.90 0.20 -1.26 0.27 118.68 123.52 2a2y s LEU 63 Ca -0.05 -0.69 0.20 0.00 0.69 0.00 0.00 54.13 54.27 2a2y s LEU 63 Cb -0.03 -2.43 -0.28 0.00 -0.43 0.00 0.00 46.19 43.01 2a2y s LEU 63 CO -0.04 -0.66 0.38 0.55 -0.29 0.00 0.00 176.35 176.30 2a2y n VAL 64 N 5.51 0.57 -3.54 1.68 3.14 -1.26 -4.86 118.33 119.57 2a2y n VAL 64 Ca -0.07 -0.64 -0.09 0.00 -2.96 0.00 0.00 64.34 60.59 2a2y n VAL 64 Cb 0.47 -0.22 -0.03 0.00 -1.06 0.00 0.00 33.84 33.00 2a2y n VAL 64 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2a2y s ASN 65 N -4.96 -0.34 -0.28 6.55 3.84 -1.26 -5.00 114.94 113.48 2a2y s ASN 65 Ca -0.08 0.15 -0.17 0.00 0.21 0.00 0.00 52.86 52.97 2a2y s ASN 65 Cb 0.11 0.33 0.09 0.00 -0.55 0.00 0.00 41.25 41.22 2a2y s ASN 65 CO 0.87 -0.48 0.73 -0.69 -2.79 0.00 0.00 177.10 174.75 2a2y s VAL 66 N -2.29 0.00 0.06 -5.21 1.01 -1.26 0.42 120.40 113.12 2a2y s VAL 66 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 2a2y s VAL 66 Cb -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2a2y s VAL 66 CO -0.04 0.00 0.07 -1.58 0.00 0.00 0.00 175.10 173.55 2a2y s GLN 67 N 1.42 0.67 0.35 2.72 0.74 0.30 -4.97 119.66 120.88 2a2y s GLN 67 Ca -0.08 -1.00 0.08 0.00 0.05 0.00 0.00 55.36 54.41 2a2y s GLN 67 Cb -0.05 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.28 2a2y s GLN 67 CO -0.16 -0.17 0.22 0.95 -0.55 0.00 0.00 175.29 175.57 2a2y s THR 68 N -3.49 3.18 0.13 -0.34 -4.23 -1.26 0.25 115.64 109.88 2a2y s THR 68 Ca 0.03 -1.54 -0.24 0.00 -1.18 0.00 0.00 61.69 58.75 2a2y s THR 68 Cb 0.04 -3.06 0.08 0.00 1.34 0.00 0.00 72.50 70.90 2a2y s THR 68 CO -0.09 -0.16 1.08 -0.83 -0.54 0.00 0.00 174.62 174.08 2a2y s GLY 69 N -3.92 -0.04 0.02 3.99 0.00 0.30 -4.78 107.32 102.88 2a2y s GLY 69 Ca 0.40 -0.09 -0.19 0.00 0.00 0.00 0.00 44.72 44.83 2a2y s GLY 69 CO 0.24 2.15 0.42 -1.35 0.00 0.00 0.00 173.10 174.56 2a2y s SER 70 N -3.33 -0.30 0.36 1.64 1.04 -1.26 0.27 113.70 112.11 2a2y s SER 70 Ca 0.20 0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.57 2a2y s SER 70 Cb -0.01 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.56 2a2y s SER 70 CO 0.03 -0.60 0.78 -1.83 0.98 0.00 0.00 173.24 172.60 2a2y s GLU 71 N -2.02 2.12 0.07 4.02 4.04 -0.19 -4.87 118.70 121.88 2a2y s GLU 71 Ca -0.08 -1.33 -0.19 0.00 0.04 0.00 0.00 54.97 53.41 2a2y s GLU 71 Cb -0.02 0.62 -0.07 0.00 0.02 0.00 0.00 34.13 34.68 2a2y s GLU 71 CO 0.01 -0.99 0.57 0.14 -1.84 0.00 0.00 175.26 173.15 2a2y s VAL 72 N -2.65 4.75 -0.30 1.83 -7.23 -1.26 -0.82 120.40 114.72 2a2y s VAL 72 Ca 0.15 1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 61.52 2a2y s VAL 72 Cb -0.05 -3.90 0.13 0.00 0.56 0.00 0.00 36.38 33.13 2a2y s VAL 72 CO 0.10 0.55 0.28 -0.60 -0.31 0.00 0.00 175.10 175.13 2a2y s ARG 73 N -1.09 0.34 0.00 4.82 3.52 0.40 -4.85 118.95 122.08 2a2y s ARG 73 Ca 0.29 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 2a2y s ARG 73 Cb -0.19 -0.74 0.00 0.00 -1.56 0.00 0.00 34.95 32.46 2a2y s ARG 73 CO 0.19 -1.05 0.00 -3.47 -0.81 0.00 0.00 175.30 170.16 2a2y n ASP 74 N 5.18 -0.81 -2.72 -2.12 -0.08 -1.26 -4.04 116.55 110.69 2a2y n ASP 74 Ca -0.01 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.09 2a2y n ASP 74 Cb 0.45 -0.28 0.05 0.00 2.34 0.00 0.00 41.12 43.69 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 -0.67 -5.50 -3.56 -0.67 3.00 -1.26 -5.00 116.66 103.00 2a2y n ARG 75 Ca 0.00 0.64 -0.16 0.00 -0.01 0.00 0.00 57.85 58.32 2a2y n ARG 75 Cb 0.28 -5.07 -0.06 0.00 0.00 0.00 0.00 32.46 27.61 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 -5.86 1.01 0.12 5.56 0.52 -1.26 -5.14 118.95 113.91 2a2y s ARG 76 Ca 0.39 0.04 -0.25 0.00 -0.52 0.00 0.00 55.73 55.40 2a2y s ARG 76 Cb -0.17 0.47 -0.07 0.00 0.52 0.00 0.00 34.95 35.69 2a2y s ARG 76 CO 0.49 -0.33 0.75 0.50 0.02 0.00 0.00 175.30 176.73 2a2y s ARG 77 N -1.64 4.51 0.03 3.54 6.06 -1.26 -0.45 118.95 129.74 2a2y s ARG 77 Ca -0.09 1.09 0.00 0.00 -2.50 0.00 0.00 55.73 54.23 2a2y s ARG 77 Cb -0.01 -3.29 -0.03 0.00 0.06 0.00 0.00 34.95 31.69 2a2y s ARG 77 CO 0.05 0.50 -0.04 -1.50 -2.50 0.00 0.00 175.30 171.81 2a2y s ILE 78 N -0.85 0.24 0.52 4.11 2.07 -0.00 -4.89 121.20 122.39 2a2y s ILE 78 Ca 0.36 -1.18 -0.04 0.00 -1.41 0.00 0.00 60.65 58.37 2a2y s ILE 78 Cb -0.22 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.70 2a2y s ILE 78 CO 0.25 -0.60 0.80 -0.94 -1.91 0.00 0.00 174.94 172.53 2a2y s SER 79 N -1.87 5.90 -0.00 4.50 1.04 -1.26 -1.02 113.70 120.98 2a2y s SER 79 Ca -0.09 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2a2y s SER 79 Cb -0.05 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2a2y s SER 79 CO -0.03 -0.79 0.00 -0.47 0.98 0.00 0.00 173.24 172.93 2a2y s TYR 80 N -2.79 0.04 -0.11 5.02 6.14 0.76 -2.05 117.35 124.36 2a2y s TYR 80 Ca 0.50 0.01 0.03 0.00 0.64 0.00 0.00 57.07 58.25 2a2y s TYR 80 Cb -0.10 -0.06 -0.00 0.00 0.42 0.00 0.00 41.96 42.22 2a2y s TYR 80 CO 0.43 -0.01 -0.22 -1.50 0.64 0.00 0.00 175.55 174.89 2a2y s ILE 81 N 0.15 2.22 -0.25 3.14 2.07 -0.04 0.11 121.20 128.61 2a2y s ILE 81 Ca -0.01 -0.96 -0.06 0.00 -1.41 0.00 0.00 60.65 58.21 2a2y s ILE 81 Cb -0.02 -1.86 -0.01 0.00 0.13 0.00 0.00 42.46 40.69 2a2y s ILE 81 CO -0.00 0.55 0.03 -0.76 -1.91 0.00 0.00 174.94 172.85 2a2y s LEU 82 N 0.39 3.30 -0.09 8.50 1.43 0.70 -2.11 118.68 130.79 2a2y s LEU 82 Ca -0.17 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2a2y s LEU 82 Cb -0.17 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2a2y s LEU 82 CO 0.07 -0.05 -0.13 -0.22 0.23 0.00 0.00 176.35 176.25 2a2y s LEU 83 N 1.54 1.65 0.46 1.79 0.20 -0.43 0.11 118.68 124.00 2a2y s LEU 83 Ca 0.06 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 54.60 2a2y s LEU 83 Cb -0.15 -0.96 0.03 0.00 -0.43 0.00 0.00 46.19 44.68 2a2y s LEU 83 CO 0.01 0.02 0.63 -0.60 -0.29 0.00 0.00 176.35 176.11 2a2y s ARG 84 N 0.88 2.69 -0.17 1.98 3.52 0.17 0.63 118.95 128.65 2a2y s ARG 84 Ca -0.10 -1.34 -0.28 0.00 -0.13 0.00 0.00 55.73 53.88 2a2y s ARG 84 Cb -0.15 -2.73 0.08 0.00 -1.56 0.00 0.00 34.95 30.59 2a2y s ARG 84 CO 0.01 -0.43 0.75 -0.51 -0.81 0.00 0.00 175.30 174.31 2a2y s LEU 85 N -4.44 -0.66 0.13 -0.88 1.43 0.29 -4.42 118.68 110.13 2a2y s LEU 85 Ca 0.57 1.02 0.05 0.00 -1.03 0.00 0.00 54.13 54.73 2a2y s LEU 85 Cb -0.09 2.41 -0.04 0.00 0.03 0.00 0.00 46.19 48.50 2a2y s LEU 85 CO 0.35 -0.40 -0.11 -0.75 0.23 0.00 0.00 176.35 175.66 2a2y s LYS 86 N -0.42 1.00 -0.06 1.70 2.36 0.78 -1.29 119.74 123.82 2a2y s LYS 86 Ca -0.05 -1.32 0.03 0.00 -2.55 0.00 0.00 55.97 52.08 2a2y s LYS 86 Cb -0.03 -0.69 -0.03 0.00 -1.05 0.00 0.00 37.83 36.04 2a2y s LYS 86 CO 0.04 0.11 -0.13 1.03 1.55 0.00 0.00 175.35 177.95 2a2y s ARG 87 N -3.21 2.59 0.00 4.03 1.81 0.36 0.32 118.95 124.84 2a2y s ARG 87 Ca 0.12 -0.67 0.04 0.00 -1.72 0.00 0.00 55.73 53.50 2a2y s ARG 87 Cb -0.01 -2.43 -0.00 0.00 -0.45 0.00 0.00 34.95 32.06 2a2y s ARG 87 CO 0.01 0.61 0.40 0.28 -0.68 0.00 0.00 175.30 175.92 2a2y n VAL 88 N 2.36 0.00 -0.40 3.52 0.31 -1.26 -4.89 118.33 117.98 2a2y n VAL 88 Ca -0.17 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2a2y n VAL 88 Cb 0.52 1.05 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