#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3a s ILE 14 N -0.55 4.00 0.31 0.00 1.01 -1.26 -0.42 121.20 124.28 2b3a s ILE 14 Ca -0.01 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.41 2b3a s ILE 14 Cb -0.05 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 2b3a s ILE 14 CO 0.00 0.40 0.00 0.27 0.00 0.00 0.00 174.94 175.61 2b3a s ILE 15 N 1.26 1.44 0.05 2.92 -4.36 0.30 -4.96 121.20 117.85 2b3a s ILE 15 Ca 0.04 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 58.44 2b3a s ILE 15 Cb -0.15 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 2b3a s ILE 15 CO 0.02 -0.14 -0.14 -0.60 0.24 0.00 0.00 174.94 174.32 2b3a s ARG 16 N -3.81 2.18 -0.06 0.37 3.52 -0.88 -1.11 118.95 119.17 2b3a s ARG 16 Ca 0.33 -0.94 0.02 0.00 -0.13 0.00 0.00 55.73 55.02 2b3a s ARG 16 Cb 0.07 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.19 2b3a s ARG 16 CO 0.14 0.55 -0.11 0.08 -0.81 0.00 0.00 175.30 175.14 2b3a s VAL 17 N -1.00 1.04 0.11 7.11 1.01 0.82 -1.52 120.40 127.96 2b3a s VAL 17 Ca 0.17 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2b3a s VAL 17 Cb -0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2b3a s VAL 17 CO 0.08 0.33 -0.08 -0.94 0.00 0.00 0.00 175.10 174.48 2b3a s SER 18 N 0.60 1.36 0.06 3.32 1.04 1.00 -2.37 113.70 118.70 2b3a s SER 18 Ca -0.12 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.40 2b3a s SER 18 Cb -0.15 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2b3a s SER 18 CO 0.03 -0.37 0.04 -0.76 0.98 0.00 0.00 173.24 173.17 2b3a s LEU 19 N -2.83 3.67 0.55 2.42 1.43 -1.26 -2.44 118.68 120.22 2b3a s LEU 19 Ca 0.10 -0.03 0.23 0.00 -1.03 0.00 0.00 54.13 53.40 2b3a s LEU 19 Cb 0.02 -2.29 1.48 0.00 0.03 0.00 0.00 46.19 45.42 2b3a s LEU 19 CO -0.02 0.21 2.12 -0.78 0.23 0.00 0.00 176.35 178.10 2b3a h ASP 20 N 3.63 0.00 -0.24 2.29 3.58 -1.88 -1.11 116.42 122.69 2b3a h ASP 20 Ca -0.48 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.04 2b3a h ASP 20 Cb 1.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2b3a h ASP 20 CO 0.62 0.00 0.27 1.62 -2.88 0.00 0.00 179.24 178.87 2b3a h VAL 21 N 0.00 0.45 -2.82 2.25 3.04 -1.94 -3.34 116.25 113.89 2b3a h VAL 21 Ca 0.08 0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 65.32 2b3a h VAL 21 Cb 0.36 0.79 -0.39 0.00 -2.01 0.00 0.00 31.29 30.03 2b3a h VAL 21 CO -0.00 0.00 -0.73 -0.62 -1.01 0.00 0.00 177.57 175.21 2b3a s ASP 22 N -5.66 2.46 0.49 3.17 -1.08 -0.42 -5.03 116.67 110.60 2b3a s ASP 22 Ca -0.05 -0.74 0.42 0.00 -0.52 0.00 0.00 52.55 51.67 2b3a s ASP 22 Cb 0.15 -0.11 1.56 0.00 -1.46 0.00 0.00 42.92 43.07 2b3a s ASP 22 CO 0.55 -0.37 1.46 -3.20 0.52 0.00 0.00 175.17 174.13 2b3a n ASN 23 N 5.28 0.06 -2.73 -0.34 2.85 -1.26 -3.19 115.26 115.93 2b3a n ASN 23 Ca -0.06 1.04 -0.08 0.00 -0.11 0.00 0.00 54.58 55.37 2b3a n ASN 23 Cb 0.47 -0.52 0.09 0.00 1.24 0.00 0.00 39.78 41.06 2b3a n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2b3a n GLY 24 N -1.75 0.38 0.10 8.20 0.00 -1.26 -4.97 105.19 105.89 2b3a n GLY 24 Ca 0.41 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 2b3a n GLY 24 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b3a n ASN 25 N 0.48 0.97 -2.44 1.61 2.85 -1.19 -5.07 115.26 112.47 2b3a n ASN 25 Ca 0.05 0.17 -0.04 0.00 -0.11 0.00 0.00 54.58 54.65 2b3a n ASN 25 Cb 0.70 0.08 -0.04 0.00 1.24 0.00 0.00 39.78 41.76 2b3a n ASN 25 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 2b3a n MET 26 N -3.06 -3.82 0.00 1.20 0.00 -1.26 -5.08 117.12 105.10 2b3a n MET 26 Ca -0.29 2.97 0.00 0.00 -0.00 0.00 0.00 57.70 60.38 2b3a n MET 26 Cb 1.08 -4.50 0.00 0.00 0.00 0.00 0.00 33.22 29.79 2b3a n MET 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2b3a n TYR 27 N 1.35 0.00 -4.29 1.12 4.02 -1.01 -5.04 117.16 113.30 2b3a n TYR 27 Ca -0.32 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.41 2b3a n TYR 27 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 2b3a n TYR 27 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2b3a s LYS 28 N 0.00 1.18 -0.07 -0.72 -2.85 -1.00 -4.94 119.74 111.34 2b3a s LYS 28 Ca 0.00 -1.52 -0.00 0.00 -1.00 0.00 0.00 55.97 53.45 2b3a s LYS 28 Cb 0.00 -0.77 -0.03 0.00 -2.06 0.00 0.00 37.83 34.97 2b3a s LYS 28 CO 0.00 0.08 -0.04 0.45 0.10 0.00 0.00 175.35 175.95 2b3a s SER 29 N -3.23 4.90 0.00 0.03 0.15 -1.26 -0.12 113.70 114.17 2b3a s SER 29 Ca 0.20 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.94 2b3a s SER 29 Cb 0.02 -1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.03 2b3a s SER 29 CO 0.03 0.36 -0.15 -0.63 1.20 0.00 0.00 173.24 174.06 2b3a s ILE 30 N -0.86 1.19 -0.19 6.45 -1.09 -0.27 -4.94 121.20 121.49 2b3a s ILE 30 Ca 0.13 -0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 57.66 2b3a s ILE 30 Cb -0.11 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 2b3a s ILE 30 CO 0.02 0.25 0.33 -0.22 -1.23 0.00 0.00 174.94 174.10 2b3a s LEU 31 N -0.57 4.18 -0.02 2.97 0.20 -1.26 -0.54 118.68 123.64 2b3a s LEU 31 Ca 0.05 0.46 0.07 0.00 0.69 0.00 0.00 54.13 55.40 2b3a s LEU 31 Cb -0.06 -2.41 -0.02 0.00 -0.43 0.00 0.00 46.19 43.26 2b3a s LEU 31 CO -0.00 0.01 -0.22 0.54 -0.29 0.00 0.00 176.35 176.39 2b3a s VAL 32 N 0.95 2.42 0.26 1.68 0.11 0.43 -4.95 120.40 121.32 2b3a s VAL 32 Ca 0.17 -1.03 0.08 0.00 -2.93 0.00 0.00 61.98 58.26 2b3a s VAL 32 Cb -0.14 -1.90 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 2b3a s VAL 32 CO 0.06 0.54 0.17 0.42 -3.33 0.00 0.00 175.10 172.96 2b3a s THR 33 N -0.69 4.16 -0.58 5.04 -4.23 -1.26 -1.62 115.64 116.46 2b3a s THR 33 Ca 0.11 -1.49 0.23 0.00 -1.18 0.00 0.00 61.69 59.36 2b3a s THR 33 Cb -0.10 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.70 2b3a s THR 33 CO 0.00 -0.33 1.70 -1.54 -0.54 0.00 0.00 174.62 173.91 2b3a n SER 34 N -1.15 0.61 0.23 3.99 3.41 -1.26 -3.48 113.62 115.97 2b3a n SER 34 Ca -0.07 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 2b3a n SER 34 Cb 0.58 -0.77 0.50 0.00 -0.26 0.00 0.00 64.21 64.27 2b3a n SER 34 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2b3a h GLN 35 N 0.00 0.00 -6.40 4.33 4.15 -1.97 -3.45 115.11 111.76 2b3a h GLN 35 Ca 0.00 0.00 -0.43 0.00 0.77 0.00 0.00 58.65 58.99 2b3a h GLN 35 Cb 0.41 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.11 2b3a h GLN 35 CO 0.00 0.17 -0.28 0.34 -1.93 0.00 0.00 178.83 177.14 2b3a s ASP 36 N -6.09 5.61 0.33 -0.69 -1.08 -1.23 -5.11 116.67 108.42 2b3a s ASP 36 Ca 0.01 -0.44 0.07 0.00 -0.52 0.00 0.00 52.55 51.67 2b3a s ASP 36 Cb 0.10 -0.69 -0.02 0.00 -1.46 0.00 0.00 42.92 40.85 2b3a s ASP 36 CO 0.62 -0.73 0.33 -0.75 0.52 0.00 0.00 175.17 175.16 2b3a s LYS 37 N -4.31 2.81 0.09 4.34 2.20 -1.26 -4.61 119.74 119.00 2b3a s LYS 37 Ca 0.54 -1.23 -0.17 0.00 -0.36 0.00 0.00 55.97 54.75 2b3a s LYS 37 Cb -0.09 -2.55 -0.07 0.00 -1.51 0.00 0.00 37.83 33.60 2b3a s LYS 37 CO 0.32 0.10 1.49 0.00 -0.36 0.00 0.00 175.35 176.91 2b3a h ALA 38 N 1.18 0.39 -0.91 3.13 0.00 -1.83 -2.59 119.26 118.63 2b3a h ALA 38 Ca -0.45 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.24 2b3a h ALA 38 Cb 1.25 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2b3a h ALA 38 CO 0.57 0.19 0.60 -1.00 0.00 0.00 0.00 179.25 179.61 2b3a h PRO 39 N 0.30 1.04 -0.41 0.00 0.13 -1.88 0.20 132.00 131.38 2b3a h PRO 39 Ca 0.07 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 2b3a h PRO 39 Cb 0.53 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 2b3a h PRO 39 CO 0.03 0.69 -0.30 0.00 -0.23 0.00 0.00 178.00 178.18 2b3a h ALA 40 N 1.49 0.59 -0.44 -0.56 0.00 -1.98 -2.26 119.26 116.11 2b3a h ALA 40 Ca 0.38 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2b3a h ALA 40 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2b3a h ALA 40 CO -0.14 0.63 -0.02 0.28 0.00 0.00 0.00 179.25 180.01 2b3a h VAL 41 N 0.75 1.24 -0.39 0.00 2.07 -0.82 0.40 116.25 119.50 2b3a h VAL 41 Ca 0.08 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.67 2b3a h VAL 41 Cb 0.89 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2b3a h VAL 41 CO 0.08 0.34 0.07 0.40 0.02 0.00 0.00 177.57 178.49 2b3a h ILE 42 N 0.68 0.79 -0.15 4.57 2.04 -0.36 0.10 117.51 125.18 2b3a h ILE 42 Ca 0.13 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2b3a h ILE 42 Cb 0.45 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2b3a h ILE 42 CO 0.02 0.04 0.01 -0.09 0.00 0.00 0.00 178.15 178.12 2b3a h ARG 43 N 0.20 0.26 -0.53 2.37 2.43 -0.78 -2.55 114.38 115.78 2b3a h ARG 43 Ca 0.19 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2b3a h ARG 43 Cb 0.23 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2b3a h ARG 43 CO -0.25 0.47 0.32 0.87 -1.51 0.00 0.00 179.97 179.87 2b3a h LYS 44 N 0.02 0.61 -0.20 0.20 1.79 -0.23 0.59 116.57 119.33 2b3a h LYS 44 Ca 0.04 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.30 2b3a h LYS 44 Cb 0.35 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2b3a h LYS 44 CO 0.01 0.40 -0.60 0.00 -1.08 0.00 0.00 179.45 178.18 2b3a h ALA 45 N 1.23 0.56 -0.20 3.86 0.00 -0.84 0.76 119.26 124.63 2b3a h ALA 45 Ca 0.21 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 2b3a h ALA 45 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2b3a h ALA 45 CO -0.09 0.69 -0.56 0.00 0.00 0.00 0.00 179.25 179.29 2b3a h MET 46 N 0.51 0.60 -0.80 0.00 -0.00 -1.08 -3.07 114.93 111.10 2b3a h MET 46 Ca -0.00 -0.39 0.07 0.00 -0.00 0.00 0.00 59.70 59.38 2b3a h MET 46 Cb 1.18 0.05 -0.06 0.00 -0.00 0.00 0.00 31.60 32.77 2b3a h MET 46 CO 0.12 1.00 0.48 0.22 -0.00 0.00 0.00 176.91 178.72 2b3a h ASP 47 N 0.46 0.73 0.30 -0.10 1.82 0.49 -0.84 116.42 119.29 2b3a h ASP 47 Ca 0.01 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2b3a h ASP 47 Cb 1.11 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.00 2b3a h ASP 47 CO 0.11 0.46 0.00 0.50 -1.61 0.00 0.00 179.24 178.70 2b3a h LYS 48 N 0.86 0.00 -0.02 0.28 1.63 -0.75 0.25 116.57 118.82 2b3a h LYS 48 Ca 0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 2b3a h LYS 48 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2b3a h LYS 48 CO -0.19 0.00 -0.03 0.72 -3.45 0.00 0.00 179.45 176.50 2b3a n HIS 49 N -3.00 0.00 -2.35 1.91 8.25 -0.33 -4.98 115.22 114.72 2b3a n HIS 49 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 2b3a n HIS 49 Cb 0.14 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2b3a n HIS 49 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2b3a n ASN 50 N 0.71 -5.63 -2.88 0.41 2.85 0.90 -5.01 115.26 106.59 2b3a n ASN 50 Ca 0.16 0.25 -0.16 0.00 -0.11 0.00 0.00 54.58 54.71 2b3a n ASN 50 Cb 0.48 -3.69 -0.00 0.00 1.24 0.00 0.00 39.78 37.81 2b3a n ASN 50 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2b3a n LEU 51 N -0.61 1.88 0.17 1.20 4.77 -1.21 -4.89 117.00 118.30 2b3a n LEU 51 Ca 0.06 -4.61 0.04 0.00 -0.03 0.00 0.00 56.01 51.47 2b3a n LEU 51 Cb 0.33 0.34 0.43 0.00 -2.33 0.00 0.00 43.42 42.19 2b3a n LEU 51 CO 0.30 2.01 0.88 -0.33 -1.33 0.00 0.00 177.39 178.92 2b3a h GLU 52 N 2.95 0.11 0.00 3.23 4.39 -1.88 -3.10 114.58 120.29 2b3a h GLU 52 Ca 0.05 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2b3a h GLU 52 Cb 0.99 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2b3a h GLU 52 CO 0.57 0.30 0.00 -0.85 -1.16 0.00 0.00 179.01 177.87 2b3a n GLU 53 N -4.28 0.12 -4.06 2.33 0.28 -1.26 -4.76 120.64 109.01 2b3a n GLU 53 Ca -0.02 0.19 -0.12 0.00 -0.16 0.00 0.00 57.16 57.05 2b3a n GLU 53 Cb 0.27 -1.66 -0.11 0.00 1.43 0.00 0.00 31.44 31.37 2b3a n GLU 53 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2b3a s GLU 54 N -3.09 0.51 0.27 3.44 -1.05 -1.17 -5.16 118.70 112.45 2b3a s GLU 54 Ca 0.10 -0.80 0.04 0.00 -0.15 0.00 0.00 54.97 54.16 2b3a s GLU 54 Cb 0.14 -0.18 -0.06 0.00 -0.44 0.00 0.00 34.13 33.59 2b3a s GLU 54 CO 0.48 0.02 0.01 -1.21 0.95 0.00 0.00 175.26 175.50 2b3a s GLU 55 N -1.86 1.47 0.23 -4.83 2.02 -1.26 -4.91 118.70 109.54 2b3a s GLU 55 Ca -0.09 -1.76 0.16 0.00 0.02 0.00 0.00 54.97 53.30 2b3a s GLU 55 Cb -0.08 -0.77 0.84 0.00 0.10 0.00 0.00 34.13 34.22 2b3a s GLU 55 CO -0.01 -0.10 1.49 -2.30 0.02 0.00 0.00 175.26 174.35 2b3a n PRO 56 N -0.52 0.10 -0.13 0.39 -0.02 -1.26 -1.44 135.00 132.12 2b3a n PRO 56 Ca -0.04 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 2b3a n PRO 56 Cb 0.65 -1.83 0.41 0.00 -0.02 0.00 0.00 33.50 32.71 2b3a n PRO 56 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2b3a h GLU 57 N 0.00 0.60 0.00 -0.52 4.39 -1.99 -2.52 114.58 114.54 2b3a h GLU 57 Ca 0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2b3a h GLU 57 Cb 0.02 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2b3a h GLU 57 CO 0.00 0.40 -1.54 -0.25 -1.16 0.00 0.00 179.01 176.46 2b3a n ASP 58 N -4.48 0.45 -4.52 1.42 9.92 -0.52 -4.90 116.55 113.93 2b3a n ASP 58 Ca 0.10 0.18 -0.24 0.00 -0.53 0.00 0.00 54.79 54.29 2b3a n ASP 58 Cb 0.26 1.10 -0.11 0.00 -0.64 0.00 0.00 41.12 41.74 2b3a n ASP 58 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2b3a s TYR 59 N -3.34 2.24 0.06 1.24 1.51 -0.95 -0.01 117.35 118.11 2b3a s TYR 59 Ca -0.04 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 2b3a s TYR 59 Cb 0.11 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 2b3a s TYR 59 CO 0.84 0.38 -0.05 -1.21 -1.11 0.00 0.00 175.55 174.40 2b3a s GLU 60 N -3.71 0.64 -0.27 -0.62 0.41 0.04 -4.66 118.70 110.52 2b3a s GLU 60 Ca 0.33 -1.10 -0.09 0.00 -0.41 0.00 0.00 54.97 53.70 2b3a s GLU 60 Cb 0.06 -0.05 -0.03 0.00 -1.78 0.00 0.00 34.13 32.33 2b3a s GLU 60 CO 0.15 -0.04 0.12 -1.17 -0.49 0.00 0.00 175.26 173.83 2b3a s LEU 61 N -2.53 3.74 -0.11 1.80 0.20 -1.26 -1.63 118.68 118.89 2b3a s LEU 61 Ca 0.03 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.61 2b3a s LEU 61 Cb 0.01 -1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 2b3a s LEU 61 CO -0.05 -0.08 -0.16 -0.22 -0.29 0.00 0.00 176.35 175.55 2b3a s LEU 62 N 1.64 2.58 0.02 -0.68 0.20 0.12 -0.52 118.68 122.05 2b3a s LEU 62 Ca 0.06 -0.36 -0.24 0.00 0.69 0.00 0.00 54.13 54.28 2b3a s LEU 62 Cb -0.16 -1.56 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 2b3a s LEU 62 CO 0.06 0.19 0.74 -1.10 -0.29 0.00 0.00 176.35 175.95 2b3a s GLN 63 N 0.17 4.46 -0.14 1.98 -0.21 0.25 0.38 119.66 126.55 2b3a s GLN 63 Ca -0.09 1.00 0.02 0.00 0.02 0.00 0.00 55.36 56.31 2b3a s GLN 63 Cb -0.15 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.49 2b3a s GLN 63 CO 0.05 0.27 -0.20 0.42 -2.12 0.00 0.00 175.29 173.71 2b3a s ILE 64 N 0.04 2.30 0.00 1.08 1.09 0.61 -0.79 121.20 125.52 2b3a s ILE 64 Ca 0.38 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 59.02 2b3a s ILE 64 Cb -0.20 -1.93 0.00 0.00 -1.06 0.00 0.00 42.46 39.27 2b3a s ILE 64 CO 0.22 0.54 0.00 0.18 -0.10 0.00 0.00 174.94 175.78 2b3a n LEU 65 N 3.97 0.12 0.00 2.97 4.32 -1.18 -2.42 117.00 124.78 2b3a n LEU 65 Ca -0.19 0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 55.67 2b3a n LEU 65 Cb 0.52 -0.17 -0.05 0.00 -1.62 0.00 0.00 43.42 42.10 2b3a n LEU 65 CO 0.28 -0.17 -0.08 -0.24 -1.22 0.00 0.00 177.39 175.96 2b3a n SER 66 N -1.79 0.38 -4.44 -1.43 2.88 -1.26 -4.78 113.62 103.18 2b3a n SER 66 Ca 0.00 -2.33 -0.43 0.00 -1.33 0.00 0.00 58.87 54.78 2b3a n SER 66 Cb 0.00 0.81 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 2b3a n SER 66 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2b3a n ASP 67 N -1.96 4.99 0.17 -3.46 2.03 -1.26 -3.75 116.55 113.32 2b3a n ASP 67 Ca 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.37 2b3a n ASP 67 Cb 0.37 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 2b3a n ASP 67 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2b3a n ASP 68 N 6.90 -3.06 -4.30 1.67 2.03 -1.26 -5.09 116.55 113.44 2b3a n ASP 68 Ca 0.44 0.74 -0.34 0.00 0.52 0.00 0.00 54.79 56.15 2b3a n ASP 68 Cb 0.44 2.96 -0.15 0.00 -0.72 0.00 0.00 41.12 43.66 2b3a n ASP 68 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2b3a s ARG 69 N -2.00 3.31 -0.05 -0.67 0.52 -1.25 -5.09 118.95 113.72 2b3a s ARG 69 Ca 0.00 -0.69 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 2b3a s ARG 69 Cb 0.00 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 2b3a s ARG 69 CO 0.00 -0.04 -0.23 0.15 0.02 0.00 0.00 175.30 175.20 2b3a s LYS 70 N 1.00 2.30 -0.02 3.54 -0.14 -1.26 -3.10 119.74 122.06 2b3a s LYS 70 Ca -0.01 -0.83 0.03 0.00 -1.36 0.00 0.00 55.97 53.80 2b3a s LYS 70 Cb -0.15 -1.98 -0.00 0.00 -1.68 0.00 0.00 37.83 34.02 2b3a s LYS 70 CO -0.01 0.36 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.33 2b3a s LEU 71 N -0.14 1.88 -0.13 3.17 1.43 0.03 -4.98 118.68 119.93 2b3a s LEU 71 Ca -0.03 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 2b3a s LEU 71 Cb -0.13 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 2b3a s LEU 71 CO 0.03 0.08 0.28 -0.54 0.23 0.00 0.00 176.35 176.43 2b3a s LYS 72 N 0.03 4.07 -0.37 1.70 3.01 -1.26 0.84 119.74 127.75 2b3a s LYS 72 Ca -0.00 0.10 -0.09 0.00 -1.01 0.00 0.00 55.97 54.96 2b3a s LYS 72 Cb -0.06 -3.35 0.04 0.00 -1.01 0.00 0.00 37.83 33.45 2b3a s LYS 72 CO 0.00 0.40 0.18 0.42 0.51 0.00 0.00 175.35 176.87 2b3a s ILE 73 N -0.03 4.23 0.04 2.17 -1.09 0.32 -4.92 121.20 121.93 2b3a s ILE 73 Ca 0.17 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 2b3a s ILE 73 Cb -0.13 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2b3a s ILE 73 CO 0.05 -0.28 0.03 -0.81 -1.23 0.00 0.00 174.94 172.70 2b3a n PRO 74 N 4.92 1.50 -0.16 2.79 -0.04 -1.26 -4.01 135.00 138.74 2b3a n PRO 74 Ca -0.12 -0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.03 2b3a n PRO 74 Cb 0.45 0.04 0.04 0.00 -0.04 0.00 0.00 33.50 33.99 2b3a n PRO 74 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2b3a h GLU 75 N 0.00 0.03 -0.02 0.54 4.39 -1.97 -2.67 114.58 114.88 2b3a h GLU 75 Ca -0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2b3a h GLU 75 Cb 0.10 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2b3a h GLU 75 CO 0.05 0.02 0.00 0.09 -1.16 0.00 0.00 179.01 178.01 2b3a n ASN 76 N -5.32 0.24 -4.37 1.42 5.03 -1.26 -4.74 115.26 106.26 2b3a n ASN 76 Ca 0.05 -1.30 -0.32 0.00 0.87 0.00 0.00 54.58 53.88 2b3a n ASN 76 Cb 0.27 -0.01 -0.15 0.00 -1.02 0.00 0.00 39.78 38.87 2b3a n ASN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2b3a s ALA 77 N -1.98 2.45 0.22 5.41 0.00 -1.01 -5.10 121.76 121.75 2b3a s ALA 77 Ca 0.36 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 2b3a s ALA 77 Cb 0.17 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 2b3a s ALA 77 CO 0.28 0.44 1.16 -0.80 0.00 0.00 0.00 175.76 176.84 2b3a s ASN 78 N -0.29 7.16 0.14 0.00 0.02 -1.26 -4.37 114.94 116.33 2b3a s ASN 78 Ca 0.01 2.25 -0.19 0.00 -1.02 0.00 0.00 52.86 53.91 2b3a s ASN 78 Cb -0.13 -2.62 -0.00 0.00 0.02 0.00 0.00 41.25 38.52 2b3a s ASN 78 CO 0.03 -0.28 1.73 0.58 0.02 0.00 0.00 177.10 179.17 2b3a h VAL 79 N 3.50 0.86 -0.15 1.60 2.07 -1.91 0.27 116.25 122.49 2b3a h VAL 79 Ca -0.45 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2b3a h VAL 79 Cb 1.21 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2b3a h VAL 79 CO 0.71 0.02 -0.04 -0.26 0.02 0.00 0.00 177.57 178.02 2b3a h PHE 80 N 0.12 0.22 0.00 1.57 -1.00 -1.91 -0.11 116.94 115.83 2b3a h PHE 80 Ca 0.12 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.81 2b3a h PHE 80 Cb 0.13 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 2b3a h PHE 80 CO -0.17 0.27 -1.67 0.66 -1.61 0.00 0.00 178.31 175.79 2b3a n TYR 81 N -4.36 0.43 0.17 -0.55 4.02 -0.91 -3.96 117.16 111.99 2b3a n TYR 81 Ca -0.01 0.13 0.12 0.00 -0.01 0.00 0.00 57.90 58.13 2b3a n TYR 81 Cb 0.20 -0.78 0.09 0.00 -0.02 0.00 0.00 39.34 38.83 2b3a n TYR 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b3a h ALA 82 N 1.80 0.75 -2.21 -0.72 0.00 -0.03 -3.46 119.26 115.39 2b3a h ALA 82 Ca -0.09 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.35 2b3a h ALA 82 Cb 1.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2b3a h ALA 82 CO 0.01 0.00 0.38 0.00 0.00 0.00 0.00 179.25 179.64 2b3a s MET 83 N -3.29 3.89 -0.14 0.00 0.23 -0.09 -4.99 119.30 114.91 2b3a s MET 83 Ca 0.03 0.98 -0.11 0.00 -1.03 0.00 0.00 55.69 55.56 2b3a s MET 83 Cb 0.07 -2.13 -0.08 0.00 -1.53 0.00 0.00 34.83 31.16 2b3a s MET 83 CO 0.73 -0.32 0.10 -2.95 -2.03 0.00 0.00 175.02 170.55 2b3a h ASN 84 N 0.87 0.00 -1.11 -1.18 7.08 -1.89 -3.48 115.58 115.87 2b3a h ASN 84 Ca -0.47 -0.25 0.15 0.00 -3.08 0.00 0.00 56.30 52.66 2b3a h ASN 84 Cb 1.19 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.40 2b3a h ASN 84 CO 0.61 0.83 0.41 -1.54 -2.08 0.00 0.00 177.43 175.66 2b3a n SER 85 N -4.64 -0.58 -1.59 6.14 3.41 -1.26 -4.98 113.62 110.11 2b3a n SER 85 Ca -0.09 -1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 57.28 2b3a n SER 85 Cb 0.28 0.90 0.05 0.00 -0.26 0.00 0.00 64.21 65.17 2b3a n SER 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2b3a n THR 86 N -0.42 2.13 -3.69 6.66 -1.04 -1.26 -4.46 114.28 112.20 2b3a n THR 86 Ca 0.02 -0.98 -0.12 0.00 -2.04 0.00 0.00 64.05 60.92 2b3a n THR 86 Cb 0.27 -1.06 -0.13 0.00 -1.82 0.00 0.00 70.33 67.59 2b3a n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b3a s ALA 87 N -1.25 -0.66 -1.16 2.41 0.00 -1.26 -4.83 121.76 115.01 2b3a s ALA 87 Ca 0.21 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 2b3a s ALA 87 Cb 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2b3a s ALA 87 CO 0.02 -0.46 0.96 0.09 0.00 0.00 0.00 175.76 176.37 2b3a n ASN 88 N 4.87 -2.06 -3.50 0.00 3.02 -1.26 -4.94 115.26 111.39 2b3a n ASN 88 Ca -0.15 -0.60 -0.40 0.00 -0.03 0.00 0.00 54.58 53.41 2b3a n ASN 88 Cb 0.51 -4.96 0.01 0.00 -0.61 0.00 0.00 39.78 34.74 2b3a n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b3a n TYR 89 N -4.02 2.67 -4.30 3.10 0.18 -1.26 -4.19 117.16 109.33 2b3a n TYR 89 Ca -0.28 -2.63 -0.33 0.00 1.88 0.00 0.00 57.90 56.54 2b3a n TYR 89 Cb 0.66 -1.46 -0.09 0.00 -0.38 0.00 0.00 39.34 38.07 2b3a n TYR 89 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2b3a s ASP 90 N -0.57 5.12 -0.05 9.48 -1.08 -1.01 -2.07 116.67 126.48 2b3a s ASP 90 Ca 0.46 0.01 0.02 0.00 -0.52 0.00 0.00 52.55 52.53 2b3a s ASP 90 Cb 0.21 -1.35 0.01 0.00 -1.46 0.00 0.00 42.92 40.33 2b3a s ASP 90 CO -0.13 0.29 -0.11 -0.36 0.52 0.00 0.00 175.17 175.37 2b3a s PHE 91 N -1.06 1.33 0.01 -5.34 0.40 -0.57 -0.28 117.98 112.46 2b3a s PHE 91 Ca 0.19 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 56.16 2b3a s PHE 91 Cb -0.11 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 2b3a s PHE 91 CO 0.09 -0.22 -0.25 0.08 0.70 0.00 0.00 175.22 175.62 2b3a s VAL 92 N 0.53 2.21 -0.23 -0.44 1.01 0.16 -0.00 120.40 123.64 2b3a s VAL 92 Ca -0.11 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 2b3a s VAL 92 Cb -0.14 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2b3a s VAL 92 CO 0.03 0.47 0.10 -0.22 0.00 0.00 0.00 175.10 175.48 2b3a s LEU 93 N -0.94 3.75 0.06 3.92 0.20 -1.02 0.12 118.68 124.76 2b3a s LEU 93 Ca 0.11 -0.04 0.07 0.00 0.69 0.00 0.00 54.13 54.97 2b3a s LEU 93 Cb -0.10 -1.99 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 2b3a s LEU 93 CO 0.01 0.04 -0.20 -1.59 -0.29 0.00 0.00 176.35 174.32 2b3a s LYS 94 N 1.17 1.26 0.11 1.98 0.00 -0.64 -2.60 119.74 121.01 2b3a s LYS 94 Ca 0.05 -0.98 -0.26 0.00 0.00 0.00 0.00 55.97 54.78 2b3a s LYS 94 Cb -0.14 -1.40 -0.07 0.00 0.00 0.00 0.00 37.83 36.22 2b3a s LYS 94 CO 0.04 0.35 0.80 0.21 0.00 0.00 0.00 175.35 176.75 2b3a s LYS 95 N -1.39 4.57 0.00 1.78 2.20 -1.26 -0.78 119.74 124.86 2b3a s LYS 95 Ca 0.06 1.17 0.09 0.00 -0.36 0.00 0.00 55.97 56.93 2b3a s LYS 95 Cb -0.09 -3.32 0.15 0.00 -1.51 0.00 0.00 37.83 33.07 2b3a s LYS 95 CO 0.02 0.41 0.98 0.54 -0.36 0.00 0.00 175.35 176.94 2b3a n ARG 96 N 2.24 1.49 0.00 4.03 1.74 0.99 -4.93 116.66 122.22 2b3a n ARG 96 Ca -0.03 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 2b3a n ARG 96 Cb 0.49 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 2b3a n ARG 96 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74