#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 2.40 0.10 2.03 5.66 -1.26 -4.51 114.28 118.70 2a2y n THR 2 Ca 0.00 -1.76 -0.04 0.00 -3.05 0.00 0.00 64.05 59.20 2a2y n THR 2 Cb 0.00 -0.26 0.04 0.00 -1.55 0.00 0.00 70.33 68.56 2a2y n THR 2 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2a2y h GLU 3 N 2.36 0.03 -1.82 1.09 5.08 -1.94 -3.36 114.58 116.03 2a2y h GLU 3 Ca 0.00 -0.04 -0.48 0.00 -1.00 0.00 0.00 59.36 57.85 2a2y h GLU 3 Cb 1.58 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.43 2a2y h GLU 3 CO 0.29 0.81 -1.09 0.36 -1.00 0.00 0.00 179.01 178.38 2a2y n LYS 4 N -3.62 1.48 -3.51 2.33 0.00 -1.26 -3.20 118.16 110.37 2a2y n LYS 4 Ca -0.01 -3.64 -0.15 0.00 -0.00 0.00 0.00 58.31 54.51 2a2y n LYS 4 Cb 0.76 -1.73 -0.05 0.00 -0.00 0.00 0.00 35.03 34.01 2a2y n LYS 4 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2a2y s LEU 5 N -2.78 -0.58 -0.30 -5.58 2.96 -1.26 -4.50 118.68 106.64 2a2y s LEU 5 Ca 0.39 0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 54.66 2a2y s LEU 5 Cb 0.36 2.41 0.19 0.00 0.50 0.00 0.00 46.19 49.65 2a2y s LEU 5 CO -0.07 -0.63 1.16 0.21 -1.32 0.00 0.00 176.35 175.70 2a2y s ASN 6 N -1.53 -0.05 -0.40 3.68 3.84 -1.18 -4.80 114.94 114.50 2a2y s ASN 6 Ca -0.06 -0.01 -0.22 0.00 0.21 0.00 0.00 52.86 52.77 2a2y s ASN 6 Cb -0.00 0.42 0.02 0.00 -0.55 0.00 0.00 41.25 41.13 2a2y s ASN 6 CO 0.03 -0.01 0.72 -1.83 -2.79 0.00 0.00 177.10 173.23 2a2y s GLU 7 N 2.36 3.54 0.06 0.43 -1.05 -1.26 -1.22 118.70 121.56 2a2y s GLU 7 Ca 0.21 -0.01 0.06 0.00 -0.15 0.00 0.00 54.97 55.08 2a2y s GLU 7 Cb 0.03 -3.88 -0.03 0.00 -0.44 0.00 0.00 34.13 29.82 2a2y s GLU 7 CO -0.19 -0.94 -0.16 0.42 0.95 0.00 0.00 175.26 175.34 2a2y s ILE 8 N 3.02 1.27 -0.14 1.83 1.01 0.41 -4.93 121.20 123.68 2a2y s ILE 8 Ca 0.28 -1.18 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 2a2y s ILE 8 Cb -0.13 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 2a2y s ILE 8 CO 0.19 -0.03 -0.11 -0.69 0.00 0.00 0.00 174.94 174.30 2a2y s VAL 9 N -0.99 3.25 0.62 2.92 1.01 -1.26 -1.98 120.40 123.97 2a2y s VAL 9 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2a2y s VAL 9 Cb -0.09 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.94 2a2y s VAL 9 CO 0.02 0.51 0.91 0.54 0.00 0.00 0.00 175.10 177.08 2a2y s VAL 10 N 0.40 2.91 0.22 2.92 0.11 -0.54 -4.85 120.40 121.57 2a2y s VAL 10 Ca -0.09 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 2a2y s VAL 10 Cb -0.15 -3.18 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 2a2y s VAL 10 CO 0.05 -0.18 0.06 -0.13 -3.33 0.00 0.00 175.10 171.57 2a2y s ARG 11 N -5.03 1.29 0.27 1.54 0.52 -1.26 -4.74 118.95 111.53 2a2y s ARG 11 Ca 0.57 -1.67 0.22 0.00 -0.52 0.00 0.00 55.73 54.33 2a2y s ARG 11 Cb -0.11 -0.23 0.09 0.00 0.52 0.00 0.00 34.95 35.23 2a2y s ARG 11 CO 0.43 -0.24 1.22 1.57 0.02 0.00 0.00 175.30 178.30 2a2y h LYS 12 N 2.51 0.00 0.25 3.54 5.09 -1.90 -3.36 116.57 122.71 2a2y h LYS 12 Ca -0.38 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.35 2a2y h LYS 12 Cb 1.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.56 2a2y h LYS 12 CO 0.61 0.04 -0.12 1.79 -2.09 0.00 0.00 179.45 179.69 2a2y h THR 13 N 0.00 0.00 -3.79 0.07 1.35 -1.99 -3.44 112.91 105.12 2a2y h THR 13 Ca -0.01 -0.22 -0.56 0.00 -0.55 0.00 0.00 66.41 65.08 2a2y h THR 13 Cb 1.06 0.00 0.13 0.00 -1.73 0.00 0.00 68.15 67.61 2a2y h THR 13 CO 0.01 0.00 0.55 0.29 -0.25 0.00 0.00 175.52 176.12 2a2y n LYS 14 N -3.50 1.88 -1.42 4.72 5.02 -1.26 -4.98 118.16 118.63 2a2y n LYS 14 Ca -0.04 0.68 -0.30 0.00 -2.02 0.00 0.00 58.31 56.62 2a2y n LYS 14 Cb 0.13 -2.49 0.23 0.00 -0.02 0.00 0.00 35.03 32.88 2a2y n LYS 14 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2a2y s ASN 15 N -0.67 1.61 0.28 4.39 -0.87 -1.26 -4.75 114.94 113.67 2a2y s ASN 15 Ca 0.65 0.42 0.12 0.00 -1.57 0.00 0.00 52.86 52.48 2a2y s ASN 15 Cb -0.46 -0.53 0.35 0.00 -0.02 0.00 0.00 41.25 40.59 2a2y s ASN 15 CO 0.55 -3.68 1.59 -0.37 -2.57 0.00 0.00 177.10 172.62 2a2y h VAL 16 N -2.28 1.31 -0.01 1.60 -1.51 -1.93 -2.98 116.25 110.44 2a2y h VAL 16 Ca -0.44 -2.13 -0.20 0.00 -1.23 0.00 0.00 66.70 62.70 2a2y h VAL 16 Cb 1.26 2.19 -0.01 0.00 -2.13 0.00 0.00 31.29 32.60 2a2y h VAL 16 CO 0.33 0.59 -0.86 1.05 -1.23 0.00 0.00 177.57 177.45 2a2y h GLU 17 N 0.00 0.28 -0.23 5.19 4.11 -1.96 -1.98 114.58 119.99 2a2y h GLU 17 Ca -0.01 -0.29 0.02 0.00 0.07 0.00 0.00 59.36 59.16 2a2y h GLU 17 Cb 1.14 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2a2y h GLU 17 CO 0.08 0.98 0.15 0.22 0.07 0.00 0.00 179.01 180.51 2a2y h ASP 18 N 0.17 0.18 0.40 3.06 1.82 -1.87 0.68 116.42 120.85 2a2y h ASP 18 Ca -0.05 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2a2y h ASP 18 Cb 1.47 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.44 2a2y h ASP 18 CO 0.14 0.13 -1.43 1.41 -1.61 0.00 0.00 179.24 177.87 2a2y n HIS 19 N -4.50 0.35 0.07 0.28 8.25 -1.19 -2.14 115.22 116.34 2a2y n HIS 19 Ca 0.01 0.10 -0.11 0.00 -0.26 0.00 0.00 57.72 57.46 2a2y n HIS 19 Cb 0.15 -0.60 -0.02 0.00 1.12 0.00 0.00 29.99 30.64 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 1.42 0.15 1.59 3.04 -0.46 0.27 116.25 122.27 2a2y h VAL 20 Ca 0.00 -2.42 -0.01 0.00 -1.01 0.00 0.00 66.70 63.26 2a2y h VAL 20 Cb 0.91 2.36 0.00 0.00 -2.01 0.00 0.00 31.29 32.55 2a2y h VAL 20 CO 0.00 0.72 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.13 2a2y h LEU 21 N 0.20 -0.17 -1.41 3.16 3.38 0.25 -0.75 115.31 119.97 2a2y h LEU 21 Ca -0.06 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2a2y h LEU 21 Cb 1.49 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2a2y h LEU 21 CO 0.15 0.24 -0.30 -0.78 0.09 0.00 0.00 178.44 177.84 2a2y h ASP 22 N -0.62 0.00 0.17 -0.43 1.82 -1.42 -1.79 116.42 114.14 2a2y h ASP 22 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 2a2y h ASP 22 Cb 0.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.48 2a2y h ASP 22 CO 0.03 0.30 -0.08 0.58 -1.61 0.00 0.00 179.24 178.46 2a2y h VAL 23 N 0.00 0.94 0.00 2.25 2.07 -0.33 -1.76 116.25 119.43 2a2y h VAL 23 Ca -0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2a2y h VAL 23 Cb 0.54 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2a2y h VAL 23 CO 0.04 0.20 0.00 -0.29 0.02 0.00 0.00 177.57 177.54 2a2y h ILE 24 N -0.72 0.00 0.00 4.57 2.10 -1.04 -1.54 117.51 120.89 2a2y h ILE 24 Ca -0.02 -0.13 -0.16 0.00 1.08 0.00 0.00 64.86 65.62 2a2y h ILE 24 Cb 0.50 0.96 0.01 0.00 -1.09 0.00 0.00 36.82 37.21 2a2y h ILE 24 CO 0.04 0.00 -0.64 0.58 -1.08 0.00 0.00 178.15 177.05 2a2y h VAL 25 N 0.00 1.42 -0.24 2.19 2.07 -1.00 -2.98 116.25 117.71 2a2y h VAL 25 Ca 0.00 -2.10 -0.06 0.00 0.82 0.00 0.00 66.70 65.36 2a2y h VAL 25 Cb 0.15 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2a2y h VAL 25 CO 0.00 0.61 -0.11 -0.07 0.02 0.00 0.00 177.57 178.03 2a2y h LEU 26 N -0.08 0.37 -1.91 2.57 3.38 -0.40 0.45 115.31 119.69 2a2y h LEU 26 Ca -0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2a2y h LEU 26 Cb 1.35 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2a2y h LEU 26 CO 0.12 0.52 -0.09 0.15 0.09 0.00 0.00 178.44 179.23 2a2y h PHE 27 N 0.37 0.00 -0.07 1.13 3.57 -1.44 -0.41 116.94 120.08 2a2y h PHE 27 Ca 0.07 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2a2y h PHE 27 Cb 0.42 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2a2y h PHE 27 CO 0.01 0.09 -0.04 -0.97 -2.23 0.00 0.00 178.31 175.17 2a2y h ASN 28 N 0.00 0.09 0.38 0.41 -0.73 -0.74 0.62 115.58 115.61 2a2y h ASN 28 Ca -0.00 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2a2y h ASN 28 Cb 0.36 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.93 2a2y h ASN 28 CO 0.01 0.15 -0.25 0.00 -0.37 0.00 0.00 177.43 176.97 2a2y n GLN 29 N -4.43 0.56 0.00 6.67 6.02 -0.22 -4.88 117.38 121.10 2a2y n GLN 29 Ca -0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 2a2y n GLN 29 Cb 0.16 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 1.37 1.30 3.60 1.08 0.00 0.21 -4.99 105.19 107.76 2a2y n GLY 30 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 3.81 -0.16 -0.61 -1.09 -0.88 -4.37 121.20 115.91 2a2y s ILE 31 Ca 0.00 0.81 0.02 0.00 -2.23 0.00 0.00 60.65 59.25 2a2y s ILE 31 Cb 0.00 -4.13 -0.23 0.00 -1.58 0.00 0.00 42.46 36.52 2a2y s ILE 31 CO 0.00 -0.74 0.21 0.47 -1.23 0.00 0.00 174.94 173.65 2a2y n ASP 32 N 9.19 1.64 -4.84 3.58 9.92 -1.23 -4.03 116.55 130.79 2a2y n ASP 32 Ca 0.17 0.12 -0.37 0.00 -0.53 0.00 0.00 54.79 54.18 2a2y n ASP 32 Cb 0.48 -0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 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 -2.55 3.74 -0.11 -1.24 2.02 -1.25 -1.38 118.70 117.93 2a2y s GLU 33 Ca -0.22 0.03 -0.09 0.00 0.02 0.00 0.00 54.97 54.72 2a2y s GLU 33 Cb 0.07 -3.25 0.03 0.00 0.10 0.00 0.00 34.13 31.09 2a2y s GLU 33 CO 0.74 0.65 0.29 0.54 0.02 0.00 0.00 175.26 177.49 2a2y s VAL 34 N -0.73 -0.01 -0.15 2.63 0.11 -0.83 -3.09 120.40 118.33 2a2y s VAL 34 Ca 0.17 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2a2y s VAL 34 Cb -0.13 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2a2y s VAL 34 CO 0.06 0.01 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.05 2a2y s ILE 35 N 0.46 2.54 -0.23 7.04 1.01 -0.36 -0.93 121.20 130.74 2a2y s ILE 35 Ca -0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 2a2y s ILE 35 Cb -0.04 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2a2y s ILE 35 CO -0.02 0.52 -0.04 -0.76 0.00 0.00 0.00 174.94 174.65 2a2y s LEU 36 N 0.75 2.96 -0.15 2.97 1.02 0.98 -0.45 118.68 126.76 2a2y s LEU 36 Ca -0.07 -0.42 -0.05 0.00 0.02 0.00 0.00 54.13 53.60 2a2y s LEU 36 Cb -0.16 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2a2y s LEU 36 CO 0.01 -0.03 0.03 -0.54 0.02 0.00 0.00 176.35 175.84 2a2y s LYS 37 N 1.48 3.68 0.04 1.70 1.02 -0.84 -1.85 119.74 124.97 2a2y s LYS 37 Ca 0.05 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.67 2a2y s LYS 37 Cb -0.14 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 2a2y s LYS 37 CO -0.03 0.39 -0.05 0.20 -0.92 0.00 0.00 175.35 174.94 2a2y s GLY 38 N 0.01 0.40 -0.05 -3.33 0.00 -0.90 -1.46 107.32 102.00 2a2y s GLY 38 Ca 0.04 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 44.03 2a2y s GLY 38 CO 0.01 -0.85 -0.17 -0.51 0.00 0.00 0.00 173.10 171.59 2a2y s THR 39 N -1.85 1.43 0.00 0.90 -4.23 -1.26 -1.19 115.64 109.44 2a2y s THR 39 Ca -0.09 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2a2y s THR 39 Cb -0.07 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.53 2a2y s THR 39 CO -0.02 0.41 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 2a2y n GLY 40 N 3.28 0.16 0.08 3.99 0.00 0.53 -0.40 105.19 112.83 2a2y n GLY 40 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.05 0.00 1.61 -0.00 -1.94 -3.19 114.38 110.80 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 0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 29.98 2a2y h ARG 41 CO 0.00 0.50 -0.01 0.93 -0.00 0.00 0.00 179.97 181.39 2a2y h GLU 42 N -0.96 0.00 -0.89 0.08 5.08 -1.00 -1.99 114.58 114.89 2a2y h GLU 42 Ca -0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.52 2a2y h GLU 42 Cb 0.57 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2a2y h GLU 42 CO 0.01 0.01 0.58 0.97 -1.00 0.00 0.00 179.01 179.57 2a2y h ILE 43 N 0.00 0.77 0.00 3.13 2.10 -1.46 0.18 117.51 122.23 2a2y h ILE 43 Ca -0.00 -0.20 -0.01 0.00 1.08 0.00 0.00 64.86 65.73 2a2y h ILE 43 Cb 0.07 0.14 -0.00 0.00 -1.09 0.00 0.00 36.82 35.94 2a2y h ILE 43 CO 0.00 0.11 -0.49 0.28 -1.08 0.00 0.00 178.15 176.96 2a2y h SER 44 N 0.58 0.00 0.00 2.19 0.02 -1.50 -3.29 113.55 111.56 2a2y h SER 44 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2a2y h SER 44 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2a2y h SER 44 CO -0.20 0.04 0.00 0.29 -1.14 0.00 0.00 176.83 175.81 2a2y n LYS 45 N -2.92 0.00 -0.18 3.45 4.01 0.55 -2.04 118.16 121.03 2a2y n LYS 45 Ca 0.02 0.45 0.06 0.00 -0.51 0.00 0.00 58.31 58.32 2a2y n LYS 45 Cb 0.56 -1.34 0.12 0.00 -0.51 0.00 0.00 35.03 33.85 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 -1.85 0.21 -0.17 7.82 0.00 -0.78 -0.62 120.51 125.12 2a2y n ALA 46 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2a2y n ALA 46 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -4.72 0.00 -0.32 0.00 0.31 -1.15 -2.16 118.33 110.29 2a2y n VAL 47 Ca 0.11 1.42 0.12 0.00 -0.01 0.00 0.00 64.34 65.97 2a2y n VAL 47 Cb 0.34 -2.36 0.25 0.00 -0.91 0.00 0.00 33.84 31.16 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 -0.41 -0.23 4.52 1.82 -0.26 0.25 116.42 122.11 2a2y h ASP 48 Ca 0.00 0.25 0.05 0.00 -0.39 0.00 0.00 57.03 56.94 2a2y h ASP 48 Cb 0.00 0.43 -0.07 0.00 0.68 0.00 0.00 39.33 40.37 2a2y h ASP 48 CO 0.00 -0.29 -0.45 0.58 -1.61 0.00 0.00 179.24 177.48 2a2y h VAL 49 N 0.06 0.11 0.54 2.25 2.07 -1.04 1.00 116.25 121.23 2a2y h VAL 49 Ca 0.54 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.03 2a2y h VAL 49 Cb 1.07 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2a2y h VAL 49 CO -0.83 0.00 -0.26 0.22 0.02 0.00 0.00 177.57 176.72 2a2y h TYR 50 N -0.45 -0.67 -0.32 1.57 3.20 -0.07 0.69 116.97 120.91 2a2y h TYR 50 Ca 0.09 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2a2y h TYR 50 Cb 0.62 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.04 2a2y h TYR 50 CO -0.55 -0.40 -0.15 -0.97 -1.64 0.00 0.00 178.16 174.46 2a2y h ASN 51 N -0.78 -0.50 -0.40 -2.11 -1.24 -0.79 2.97 115.58 112.74 2a2y h ASN 51 Ca -0.07 0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 2a2y h ASN 51 Cb 0.58 0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.89 2a2y h ASN 51 CO 0.12 -0.18 0.25 0.28 -1.29 0.00 0.00 177.43 176.61 2a2y h SER 52 N -0.09 0.48 1.64 1.15 0.02 0.12 1.73 113.55 118.60 2a2y h SER 52 Ca 0.17 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2a2y h SER 52 Cb 0.35 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2a2y h SER 52 CO -0.39 0.37 -0.37 0.25 -1.14 0.00 0.00 176.83 175.55 2a2y h LEU 53 N 0.56 0.00 0.01 5.07 5.85 0.44 -2.91 115.31 124.33 2a2y h LEU 53 Ca 0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2a2y h LEU 53 Cb -0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2a2y h LEU 53 CO -0.03 0.16 -0.09 0.50 -0.34 0.00 0.00 178.44 178.64 2a2y h LYS 54 N 0.00 0.04 0.00 1.25 3.11 0.74 -2.70 116.57 119.01 2a2y h LYS 54 Ca -0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2a2y h LYS 54 Cb 1.13 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 2a2y h LYS 54 CO 0.02 1.00 0.12 -3.47 -2.81 0.00 0.00 179.45 174.31 2a2y n ASP 55 N -4.57 0.00 0.08 4.20 2.03 0.57 -0.34 116.55 118.52 2a2y n ASP 55 Ca -0.10 0.31 -0.13 0.00 0.52 0.00 0.00 54.79 55.39 2a2y n ASP 55 Cb 0.50 -0.31 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.21 0.00 -0.67 9.65 -1.27 -3.44 114.38 118.44 2a2y h ARG 56 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2a2y h ARG 56 Cb 0.24 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2a2y h ARG 56 CO 0.00 0.17 0.00 1.47 2.80 0.00 0.00 179.97 184.41 2a2y n LEU 57 N -5.00 0.00 0.00 3.80 -0.00 -0.28 -5.01 117.00 110.50 2a2y n LEU 57 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2a2y n LEU 57 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 2a2y n LEU 57 CO 0.30 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 2a2y n GLY 58 N 0.00 0.20 0.20 1.47 0.00 0.54 -4.18 105.19 103.42 2a2y n GLY 58 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2a2y n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2a2y h ASP 59 N 0.00 0.80 -0.25 1.61 1.82 -1.95 -3.03 116.42 115.42 2a2y h ASP 59 Ca 0.00 -0.60 -0.05 0.00 -0.39 0.00 0.00 57.03 55.98 2a2y h ASP 59 Cb 0.00 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 39.74 2a2y h ASP 59 CO 0.00 1.27 0.07 0.61 -1.61 0.00 0.00 179.24 179.58 2a2y n GLY 60 N 0.60 2.29 3.19 -0.78 0.00 -1.26 -4.19 105.19 105.04 2a2y n GLY 60 Ca -0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.50 -0.02 0.08 1.61 1.01 -1.15 -3.52 120.40 116.90 2a2y s VAL 61 Ca 0.20 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2a2y s VAL 61 Cb 0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2a2y s VAL 61 CO 0.05 0.04 -0.07 -1.10 0.00 0.00 0.00 175.10 174.01 2a2y s GLN 62 N 1.05 0.72 -0.43 2.72 -1.52 1.13 -4.71 119.66 118.62 2a2y s GLN 62 Ca -0.07 -1.10 -0.20 0.00 -1.95 0.00 0.00 55.36 52.04 2a2y s GLN 62 Cb -0.08 -0.28 0.02 0.00 -0.22 0.00 0.00 33.01 32.46 2a2y s GLN 62 CO -0.08 0.02 0.58 -1.17 -0.25 0.00 0.00 175.29 174.39 2a2y s LEU 63 N -2.43 4.62 -0.01 2.90 2.96 -1.26 0.28 118.68 125.74 2a2y s LEU 63 Ca 0.03 -0.45 0.20 0.00 -0.22 0.00 0.00 54.13 53.69 2a2y s LEU 63 Cb -0.01 -2.62 -0.23 0.00 0.50 0.00 0.00 46.19 43.82 2a2y s LEU 63 CO -0.02 -0.72 0.55 1.33 -1.32 0.00 0.00 176.35 176.17 2a2y n VAL 64 N 5.72 0.57 -3.59 1.68 0.24 -1.26 -4.85 118.33 116.83 2a2y n VAL 64 Ca -0.03 -0.61 -0.07 0.00 -2.04 0.00 0.00 64.34 61.59 2a2y n VAL 64 Cb 0.48 -0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 32.54 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 -5.05 -0.23 -0.27 -1.34 -0.87 -1.26 -4.98 114.94 100.93 2a2y s ASN 65 Ca -0.06 0.19 -0.14 0.00 -1.57 0.00 0.00 52.86 51.27 2a2y s ASN 65 Cb 0.11 0.20 0.09 0.00 -0.02 0.00 0.00 41.25 41.62 2a2y s ASN 65 CO 0.86 -0.25 0.66 -0.69 -2.57 0.00 0.00 177.10 175.11 2a2y s VAL 66 N -1.47 -0.17 0.05 1.60 1.01 -1.26 0.92 120.40 121.08 2a2y s VAL 66 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2a2y s VAL 66 Cb -0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2a2y s VAL 66 CO -0.03 0.00 0.04 -1.58 0.00 0.00 0.00 175.10 173.53 2a2y s GLN 67 N 1.83 0.59 0.12 2.72 0.74 0.14 -4.98 119.66 120.82 2a2y s GLN 67 Ca -0.09 -0.96 0.09 0.00 0.05 0.00 0.00 55.36 54.45 2a2y s GLN 67 Cb -0.06 0.22 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 2a2y s GLN 67 CO -0.19 -0.13 -0.22 0.95 -0.55 0.00 0.00 175.29 175.15 2a2y s THR 68 N -3.17 1.82 -0.25 -0.34 -4.23 -1.26 0.21 115.64 108.41 2a2y s THR 68 Ca -0.00 -1.64 -0.29 0.00 -1.18 0.00 0.00 61.69 58.58 2a2y s THR 68 Cb 0.02 -1.68 0.17 0.00 1.34 0.00 0.00 72.50 72.36 2a2y s THR 68 CO -0.07 -0.07 1.26 -0.83 -0.54 0.00 0.00 174.62 174.37 2a2y s GLY 69 N -2.05 0.01 0.28 3.99 0.00 -0.78 -4.93 107.32 103.84 2a2y s GLY 69 Ca 0.09 2.68 0.00 0.00 0.00 0.00 0.00 44.72 47.50 2a2y s GLY 69 CO 0.05 1.18 0.48 -1.35 0.00 0.00 0.00 173.10 173.46 2a2y s SER 70 N -0.91 6.34 0.21 1.64 1.04 -1.26 -1.38 113.70 119.37 2a2y s SER 70 Ca 0.06 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 2a2y s SER 70 Cb -0.01 -2.01 -0.00 0.00 0.10 0.00 0.00 66.02 64.10 2a2y s SER 70 CO -0.06 -0.18 0.41 -1.83 0.98 0.00 0.00 173.24 172.56 2a2y s GLU 71 N -3.92 1.38 0.06 4.02 4.04 0.35 -4.86 118.70 119.77 2a2y s GLU 71 Ca 0.39 -1.18 -0.15 0.00 0.04 0.00 0.00 54.97 54.07 2a2y s GLU 71 Cb -0.10 0.44 -0.06 0.00 0.02 0.00 0.00 34.13 34.43 2a2y s GLU 71 CO 0.32 -0.55 0.47 0.08 -1.84 0.00 0.00 175.26 173.74 2a2y s VAL 72 N -3.99 4.94 -0.27 1.83 1.01 -1.26 -0.80 120.40 121.87 2a2y s VAL 72 Ca 0.19 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 2a2y s VAL 72 Cb 0.01 -3.75 0.14 0.00 0.00 0.00 0.00 36.38 32.78 2a2y s VAL 72 CO 0.04 0.45 0.34 -0.60 0.00 0.00 0.00 175.10 175.33 2a2y s ARG 73 N -1.42 0.34 0.00 2.72 3.52 0.22 -4.89 118.95 119.44 2a2y s ARG 73 Ca 0.29 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 2a2y s ARG 73 Cb -0.16 -0.58 0.00 0.00 -1.56 0.00 0.00 34.95 32.64 2a2y s ARG 73 CO 0.17 -0.90 0.00 -3.47 -0.81 0.00 0.00 175.30 170.29 2a2y n ASP 74 N 5.34 -1.09 -2.17 -2.12 -0.08 -1.26 -3.88 116.55 111.29 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 0.48 -0.34 0.01 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 -0.60 -2.67 -3.75 -0.67 3.00 -1.26 -4.98 116.66 105.73 2a2y n ARG 75 Ca 0.00 0.76 -0.13 0.00 -0.01 0.00 0.00 57.85 58.47 2a2y n ARG 75 Cb 0.34 -5.21 -0.09 0.00 0.00 0.00 0.00 32.46 27.50 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 -5.15 0.59 0.13 5.56 6.06 -1.25 -5.14 118.95 119.74 2a2y s ARG 76 Ca 0.13 0.10 -0.23 0.00 -2.50 0.00 0.00 55.73 53.22 2a2y s ARG 76 Cb -0.06 0.27 -0.07 0.00 0.06 0.00 0.00 34.95 35.15 2a2y s ARG 76 CO 0.16 -0.14 0.70 0.50 -2.50 0.00 0.00 175.30 174.02 2a2y s ARG 77 N -0.73 4.44 0.04 5.12 3.52 -1.26 -0.61 118.95 129.46 2a2y s ARG 77 Ca -0.08 1.01 -0.04 0.00 -0.13 0.00 0.00 55.73 56.49 2a2y s ARG 77 Cb -0.04 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2a2y s ARG 77 CO 0.03 0.58 0.06 -1.50 -0.81 0.00 0.00 175.30 173.66 2a2y s ILE 78 N -1.08 0.14 0.49 4.11 2.07 0.02 -4.90 121.20 122.05 2a2y s ILE 78 Ca 0.33 -1.16 -0.04 0.00 -1.41 0.00 0.00 60.65 58.37 2a2y s ILE 78 Cb -0.22 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.47 2a2y s ILE 78 CO 0.24 -0.64 0.78 -0.94 -1.91 0.00 0.00 174.94 172.46 2a2y s SER 79 N -2.13 6.06 0.06 4.50 1.04 -1.26 -0.50 113.70 121.47 2a2y s SER 79 Ca -0.05 0.76 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 2a2y s SER 79 Cb -0.01 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 64.10 2a2y s SER 79 CO -0.05 -0.68 0.24 -0.72 0.98 0.00 0.00 173.24 173.02 2a2y s TYR 80 N -2.74 0.01 -0.02 5.02 -0.85 -0.48 -0.35 117.35 117.94 2a2y s TYR 80 Ca 0.48 -0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.82 2a2y s TYR 80 Cb -0.10 0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 2a2y s TYR 80 CO 0.43 -0.50 -0.13 -1.50 -1.52 0.00 0.00 175.55 172.33 2a2y s ILE 81 N -2.95 1.06 -0.19 -3.49 2.07 -0.33 -1.86 121.20 115.50 2a2y s ILE 81 Ca -0.02 -0.56 -0.03 0.00 -1.41 0.00 0.00 60.65 58.63 2a2y s ILE 81 Cb 0.01 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 2a2y s ILE 81 CO -0.06 0.30 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.46 2a2y s LEU 82 N -0.22 2.97 -0.07 8.50 1.43 0.55 -2.11 118.68 129.74 2a2y s LEU 82 Ca 0.03 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2a2y s LEU 82 Cb -0.06 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2a2y s LEU 82 CO -0.00 0.05 -0.07 -0.22 0.23 0.00 0.00 176.35 176.34 2a2y s LEU 83 N 1.04 1.31 0.46 1.79 0.20 -0.77 0.25 118.68 122.96 2a2y s LEU 83 Ca 0.01 -0.22 0.08 0.00 0.69 0.00 0.00 54.13 54.69 2a2y s LEU 83 Cb -0.15 -0.65 0.02 0.00 -0.43 0.00 0.00 46.19 44.98 2a2y s LEU 83 CO 0.00 -0.06 0.54 -0.60 -0.29 0.00 0.00 176.35 175.95 2a2y s ARG 84 N 1.13 2.59 -0.17 1.98 3.52 0.26 -0.01 118.95 128.25 2a2y s ARG 84 Ca -0.07 -1.47 -0.28 0.00 -0.13 0.00 0.00 55.73 53.78 2a2y s ARG 84 Cb -0.14 -2.57 0.08 0.00 -1.56 0.00 0.00 34.95 30.76 2a2y s ARG 84 CO -0.01 -0.39 0.73 -1.17 -0.81 0.00 0.00 175.30 173.65 2a2y s LEU 85 N -4.34 -0.68 -0.04 -0.88 2.96 -0.11 -4.27 118.68 111.33 2a2y s LEU 85 Ca 0.53 1.05 0.05 0.00 -0.22 0.00 0.00 54.13 55.53 2a2y s LEU 85 Cb -0.06 2.44 -0.01 0.00 0.50 0.00 0.00 46.19 49.06 2a2y s LEU 85 CO 0.32 -0.41 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.01 2a2y s LYS 86 N -0.40 1.77 -0.06 1.98 2.47 0.81 -1.97 119.74 124.33 2a2y s LYS 86 Ca -0.05 -0.64 -0.14 0.00 -1.56 0.00 0.00 55.97 53.58 2a2y s LYS 86 Cb -0.03 -1.57 -0.05 0.00 -1.46 0.00 0.00 37.83 34.73 2a2y s LYS 86 CO 0.05 0.29 0.37 1.03 0.16 0.00 0.00 175.35 177.24 2a2y s ARG 87 N -0.08 4.00 0.00 4.03 1.81 -0.48 0.36 118.95 128.60 2a2y s ARG 87 Ca -0.01 0.29 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 2a2y s ARG 87 Cb -0.11 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 2a2y s ARG 87 CO 0.02 0.53 0.52 0.28 -0.68 0.00 0.00 175.30 175.96 2a2y n VAL 88 N 2.49 0.11 0.00 3.52 0.31 -1.23 -4.91 118.33 118.62 2a2y n VAL 88 Ca -0.13 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2a2y n VAL 88 Cb 0.52 1.02 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 -1.22 -1.32 0.00 0.00 176.83 174.29