#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 -1.17 4.04 0.19 0.00 -1.09 -1.26 -1.01 121.20 120.90 2b3a s ILE 14 Ca -0.12 -0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.10 2b3a s ILE 14 Cb -0.06 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.91 2b3a s ILE 14 CO 0.02 0.39 -0.14 0.27 -1.23 0.00 0.00 174.94 174.25 2b3a s ILE 15 N 1.36 1.64 0.06 2.92 -4.36 -0.73 -5.00 121.20 117.09 2b3a s ILE 15 Ca 0.05 -2.14 0.06 0.00 -0.26 0.00 0.00 60.65 58.36 2b3a s ILE 15 Cb -0.15 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 2b3a s ILE 15 CO 0.02 -0.58 -0.12 -0.60 0.24 0.00 0.00 174.94 173.89 2b3a s ARG 16 N -3.53 2.21 -0.03 0.37 3.52 -0.94 -1.60 118.95 118.95 2b3a s ARG 16 Ca 0.20 -0.94 0.03 0.00 -0.13 0.00 0.00 55.73 54.90 2b3a s ARG 16 Cb -0.01 -2.31 -0.00 0.00 -1.56 0.00 0.00 34.95 31.07 2b3a s ARG 16 CO 0.06 0.54 -0.12 0.08 -0.81 0.00 0.00 175.30 175.05 2b3a s VAL 17 N -1.06 1.02 0.09 7.11 1.01 0.58 -1.24 120.40 127.91 2b3a s VAL 17 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2b3a s VAL 17 Cb -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2b3a s VAL 17 CO 0.09 0.30 -0.03 -0.94 0.00 0.00 0.00 175.10 174.52 2b3a s SER 18 N 0.03 0.81 0.13 3.32 1.04 0.12 -2.10 113.70 117.05 2b3a s SER 18 Ca -0.01 -1.04 0.06 0.00 0.48 0.00 0.00 55.95 55.44 2b3a s SER 18 Cb -0.08 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2b3a s SER 18 CO 0.01 -0.55 -0.02 -0.76 0.98 0.00 0.00 173.24 172.90 2b3a s LEU 19 N -3.01 3.32 -0.01 2.42 1.43 -0.93 -1.89 118.68 120.02 2b3a s LEU 19 Ca 0.12 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 2b3a s LEU 19 Cb 0.07 -2.04 -0.33 0.00 0.03 0.00 0.00 46.19 43.92 2b3a s LEU 19 CO -0.05 0.14 0.88 -0.78 0.23 0.00 0.00 176.35 176.76 2b3a h ASP 20 N 3.16 0.71 -0.67 2.29 3.58 -1.66 -3.23 116.42 120.60 2b3a h ASP 20 Ca -0.48 -0.93 0.19 0.00 0.42 0.00 0.00 57.03 56.24 2b3a h ASP 20 Cb 1.18 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.97 2b3a h ASP 20 CO 0.58 1.68 0.48 0.58 -2.88 0.00 0.00 179.24 179.67 2b3a h VAL 21 N 0.03 0.68 0.00 2.25 2.07 -1.95 -3.38 116.25 115.95 2b3a h VAL 21 Ca -0.26 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2b3a h VAL 21 Cb 2.05 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2b3a h VAL 21 CO 0.22 0.01 -0.10 -0.67 0.02 0.00 0.00 177.57 177.05 2b3a n ASP 22 N -4.35 0.22 -3.61 0.57 2.03 -1.26 -5.15 116.55 105.00 2b3a n ASP 22 Ca 0.13 0.28 -0.05 0.00 0.52 0.00 0.00 54.79 55.67 2b3a n ASP 22 Cb 0.72 0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 41.19 2b3a n ASP 22 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2b3a s ASN 23 N -5.28 -0.15 0.00 1.67 3.84 -1.22 -5.07 114.94 108.74 2b3a s ASN 23 Ca 0.00 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.15 2b3a s ASN 23 Cb 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.84 2b3a s ASN 23 CO 0.00 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.73 2b3a n GLY 24 N 0.22 1.06 4.98 1.21 0.00 -1.23 -2.19 105.19 109.25 2b3a n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2b3a n GLY 24 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2b3a n ASN 25 N 0.00 0.00 -3.61 1.61 0.23 -1.26 -4.36 115.26 107.87 2b3a n ASN 25 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 2b3a n ASN 25 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2b3a n ASN 25 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2b3a s MET 26 N 0.00 0.01 0.15 -3.83 -2.45 -1.26 -5.00 119.30 106.92 2b3a s MET 26 Ca 0.00 0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.45 2b3a s MET 26 Cb 0.00 0.00 0.00 0.00 1.25 0.00 0.00 34.83 36.08 2b3a s MET 26 CO 0.00 -0.00 0.00 0.98 1.05 0.00 0.00 175.02 177.05 2b3a n TYR 27 N 3.12 -0.90 -3.79 4.11 9.36 -0.90 -4.96 117.16 123.21 2b3a n TYR 27 Ca -0.16 0.16 -0.09 0.00 3.32 0.00 0.00 57.90 61.12 2b3a n TYR 27 Cb 0.56 0.23 -0.06 0.00 -0.63 0.00 0.00 39.34 39.44 2b3a n TYR 27 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2b3a s LYS 28 N -1.84 0.92 0.00 2.98 -2.85 -0.89 -5.02 119.74 113.04 2b3a s LYS 28 Ca 0.00 -0.89 0.04 0.00 -1.00 0.00 0.00 55.97 54.12 2b3a s LYS 28 Cb 0.00 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 2b3a s LYS 28 CO 0.00 -0.32 -0.10 -1.12 0.10 0.00 0.00 175.35 173.91 2b3a s SER 29 N -2.85 4.39 -0.03 0.03 0.01 -1.26 -0.31 113.70 113.68 2b3a s SER 29 Ca 0.05 -0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.16 2b3a s SER 29 Cb 0.04 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 2b3a s SER 29 CO -0.11 0.29 -0.20 -0.63 0.41 0.00 0.00 173.24 172.99 2b3a s ILE 30 N -0.95 1.65 -0.21 1.44 -1.09 -0.63 -4.98 121.20 116.44 2b3a s ILE 30 Ca 0.16 -0.87 -0.15 0.00 -2.23 0.00 0.00 60.65 57.56 2b3a s ILE 30 Cb -0.11 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.35 2b3a s ILE 30 CO 0.06 0.47 0.36 -0.22 -1.23 0.00 0.00 174.94 174.37 2b3a s LEU 31 N -0.31 4.15 -0.03 2.97 0.20 -1.26 -1.77 118.68 122.63 2b3a s LEU 31 Ca 0.03 0.45 0.06 0.00 0.69 0.00 0.00 54.13 55.36 2b3a s LEU 31 Cb -0.10 -2.44 -0.02 0.00 -0.43 0.00 0.00 46.19 43.20 2b3a s LEU 31 CO 0.01 -0.05 -0.22 0.54 -0.29 0.00 0.00 176.35 176.34 2b3a s VAL 32 N 1.26 2.40 0.38 1.68 0.11 -0.18 -4.93 120.40 121.11 2b3a s VAL 32 Ca 0.17 -0.97 0.07 0.00 -2.93 0.00 0.00 61.98 58.32 2b3a s VAL 32 Cb -0.14 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 2b3a s VAL 32 CO 0.07 0.58 0.43 0.42 -3.33 0.00 0.00 175.10 173.27 2b3a s THR 33 N -0.62 3.26 -0.05 5.04 -4.23 -1.26 -0.54 115.64 117.24 2b3a s THR 33 Ca 0.10 -1.18 0.31 0.00 -1.18 0.00 0.00 61.69 59.73 2b3a s THR 33 Cb -0.10 -3.13 0.35 0.00 1.34 0.00 0.00 72.50 70.95 2b3a s THR 33 CO -0.00 -0.08 1.92 0.28 -0.54 0.00 0.00 174.62 176.20 2b3a h SER 34 N 0.95 0.00 0.98 3.99 0.02 -1.96 -2.93 113.55 114.61 2b3a h SER 34 Ca -0.43 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.31 2b3a h SER 34 Cb 1.26 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 2b3a h SER 34 CO 0.53 0.00 -1.03 -0.61 -1.14 0.00 0.00 176.83 174.58 2b3a h GLN 35 N 0.00 0.00 -5.72 3.45 -0.00 -1.96 -3.43 115.11 107.45 2b3a h GLN 35 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 2b3a h GLN 35 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 27.48 27.79 2b3a h GLN 35 CO 0.00 0.96 0.39 0.34 0.00 0.00 0.00 178.83 180.52 2b3a s ASP 36 N -6.67 6.77 0.60 -0.69 2.15 -1.11 -5.01 116.67 112.71 2b3a s ASP 36 Ca 0.01 0.95 -0.08 0.00 0.43 0.00 0.00 52.55 53.86 2b3a s ASP 36 Cb 0.10 -2.41 -0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2b3a s ASP 36 CO 0.82 -0.48 0.96 -0.54 -0.17 0.00 0.00 175.17 175.76 2b3a s LYS 37 N 2.75 3.21 0.18 4.34 1.02 -1.26 -4.78 119.74 125.20 2b3a s LYS 37 Ca 0.33 0.34 -0.13 0.00 0.02 0.00 0.00 55.97 56.52 2b3a s LYS 37 Cb -0.15 -2.19 0.10 0.00 -0.52 0.00 0.00 37.83 35.07 2b3a s LYS 37 CO 0.08 -0.64 1.81 0.00 -0.92 0.00 0.00 175.35 175.68 2b3a h ALA 38 N -0.24 0.66 -0.15 5.17 0.00 -1.82 0.39 119.26 123.27 2b3a h ALA 38 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2b3a h ALA 38 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2b3a h ALA 38 CO 0.62 0.01 -0.02 -1.00 0.00 0.00 0.00 179.25 178.86 2b3a h PRO 39 N 0.61 0.21 -0.20 0.00 0.13 -1.77 0.40 132.00 131.37 2b3a h PRO 39 Ca 0.21 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.11 2b3a h PRO 39 Cb 0.03 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2b3a h PRO 39 CO -0.10 0.25 -0.67 0.00 -0.23 0.00 0.00 178.00 177.26 2b3a h ALA 40 N 1.78 0.43 -0.35 -0.56 0.00 -1.68 -2.29 119.26 116.59 2b3a h ALA 40 Ca 0.05 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2b3a h ALA 40 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2b3a h ALA 40 CO 0.01 0.69 -0.09 0.28 0.00 0.00 0.00 179.25 180.13 2b3a h VAL 41 N 0.56 1.23 -0.15 0.00 2.07 0.21 0.61 116.25 120.80 2b3a h VAL 41 Ca -0.02 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2b3a h VAL 41 Cb 1.28 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 2b3a h VAL 41 CO 0.14 0.34 -0.18 0.40 0.02 0.00 0.00 177.57 178.29 2b3a h ILE 42 N 0.54 0.53 -0.13 4.57 2.04 -0.08 0.25 117.51 125.23 2b3a h ILE 42 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2b3a h ILE 42 Cb 0.49 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2b3a h ILE 42 CO 0.03 0.00 0.02 0.03 0.00 0.00 0.00 178.15 178.23 2b3a h ARG 43 N -0.22 0.21 -0.72 2.37 3.08 -0.78 -2.74 114.38 115.58 2b3a h ARG 43 Ca 0.10 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.13 2b3a h ARG 43 Cb 0.37 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 2b3a h ARG 43 CO -0.28 0.40 0.45 0.87 -1.07 0.00 0.00 179.97 180.34 2b3a h LYS 44 N -0.01 0.84 -0.08 0.04 1.79 0.85 0.64 116.57 120.64 2b3a h LYS 44 Ca 0.04 -0.05 -0.22 0.00 -2.18 0.00 0.00 60.65 58.23 2b3a h LYS 44 Cb 0.29 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 30.77 2b3a h LYS 44 CO 0.00 0.56 -0.82 0.00 -1.08 0.00 0.00 179.45 178.11 2b3a h ALA 45 N 1.32 0.21 -0.26 3.86 0.00 -0.58 0.25 119.26 124.05 2b3a h ALA 45 Ca 0.29 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2b3a h ALA 45 Cb 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2b3a h ALA 45 CO -0.12 0.62 -0.31 0.00 0.00 0.00 0.00 179.25 179.44 2b3a h MET 46 N 0.39 0.55 -0.33 0.00 -0.00 -1.19 -1.85 114.93 112.50 2b3a h MET 46 Ca -0.08 -0.24 0.05 0.00 -0.00 0.00 0.00 59.70 59.44 2b3a h MET 46 Cb 1.47 -0.02 -0.05 0.00 -0.00 0.00 0.00 31.60 33.00 2b3a h MET 46 CO 0.17 0.79 0.04 0.22 -0.00 0.00 0.00 176.91 178.13 2b3a h ASP 47 N 0.47 -0.04 0.75 -0.10 1.82 0.49 0.15 116.42 119.96 2b3a h ASP 47 Ca 0.06 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2b3a h ASP 47 Cb 0.77 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.88 2b3a h ASP 47 CO 0.06 0.01 0.00 0.11 -1.61 0.00 0.00 179.24 177.82 2b3a h LYS 48 N 0.15 0.00 -0.64 0.28 6.56 -0.26 0.19 116.57 122.85 2b3a h LYS 48 Ca 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 2b3a h LYS 48 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2b3a h LYS 48 CO -0.23 0.00 0.00 0.72 -2.06 0.00 0.00 179.45 177.88 2b3a n HIS 49 N -2.92 1.32 -0.94 -1.35 8.25 -0.47 -4.91 115.22 114.20 2b3a n HIS 49 Ca 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 2b3a n HIS 49 Cb 0.24 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.09 2b3a n HIS 49 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2b3a n ASN 50 N 0.78 -2.12 -2.30 0.41 3.02 0.66 -4.90 115.26 110.81 2b3a n ASN 50 Ca 0.21 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 2b3a n ASN 50 Cb 0.81 -1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 2b3a n ASN 50 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2b3a n LEU 51 N 0.00 6.57 0.27 3.41 4.77 0.40 -4.48 117.00 127.94 2b3a n LEU 51 Ca 0.00 -3.86 0.12 0.00 -0.03 0.00 0.00 56.01 52.25 2b3a n LEU 51 Cb 0.07 -1.16 0.76 0.00 -2.33 0.00 0.00 43.42 40.76 2b3a n LEU 51 CO 0.00 1.56 1.02 -0.33 -1.33 0.00 0.00 177.39 178.31 2b3a h GLU 52 N 2.46 0.00 0.00 3.23 5.08 -1.76 -2.65 114.58 120.95 2b3a h GLU 52 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2b3a h GLU 52 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2b3a h GLU 52 CO 0.89 0.08 -0.69 -0.85 -1.00 0.00 0.00 179.01 177.45 2b3a n GLU 53 N -3.82 0.06 -3.88 2.33 0.00 -1.26 -4.88 120.64 109.19 2b3a n GLU 53 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.82 2b3a n GLU 53 Cb 0.18 -1.52 -0.04 0.00 0.00 0.00 0.00 31.44 30.05 2b3a n GLU 53 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2b3a s GLU 54 N -3.04 3.47 0.08 3.44 2.02 -1.00 -5.09 118.70 118.58 2b3a s GLU 54 Ca 0.09 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.70 2b3a s GLU 54 Cb 0.16 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.30 2b3a s GLU 54 CO 0.75 0.62 0.31 -1.21 0.02 0.00 0.00 175.26 175.75 2b3a s GLU 55 N -2.26 3.57 0.17 1.61 8.01 -1.26 -4.97 118.70 123.57 2b3a s GLU 55 Ca 0.32 -0.15 0.11 0.00 0.01 0.00 0.00 54.97 55.27 2b3a s GLU 55 Cb -0.13 -2.97 0.61 0.00 -4.31 0.00 0.00 34.13 27.34 2b3a s GLU 55 CO 0.23 0.56 1.35 -2.30 0.01 0.00 0.00 175.26 175.11 2b3a n PRO 56 N 0.48 0.07 0.27 0.39 -0.02 -1.26 -1.37 135.00 133.57 2b3a n PRO 56 Ca -0.06 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.09 2b3a n PRO 56 Cb 0.52 -1.74 0.72 0.00 -0.02 0.00 0.00 33.50 32.98 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 0.00 0.00 -0.52 5.08 -1.99 -3.30 114.58 113.85 2b3a h GLU 57 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2b3a h GLU 57 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2b3a h GLU 57 CO 0.00 0.03 -1.51 -3.47 -1.00 0.00 0.00 179.01 173.07 2b3a n ASP 58 N -4.22 1.93 -4.90 1.42 -0.08 -0.47 -4.94 116.55 105.30 2b3a n ASP 58 Ca -0.03 0.36 -0.28 0.00 -1.51 0.00 0.00 54.79 53.33 2b3a n ASP 58 Cb 0.12 -0.79 -0.04 0.00 2.34 0.00 0.00 41.12 42.75 2b3a n ASP 58 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2b3a s TYR 59 N -2.70 3.40 0.14 -0.67 1.51 -1.14 -0.71 117.35 117.18 2b3a s TYR 59 Ca -0.31 0.12 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2b3a s TYR 59 Cb 0.08 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2b3a s TYR 59 CO 0.44 0.53 0.25 -1.83 -1.11 0.00 0.00 175.55 173.84 2b3a s GLU 60 N -2.98 1.06 -0.04 -0.62 -1.05 0.34 -4.11 118.70 111.30 2b3a s GLU 60 Ca 0.33 -1.12 0.02 0.00 -0.15 0.00 0.00 54.97 54.06 2b3a s GLU 60 Cb -0.11 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.91 2b3a s GLU 60 CO 0.27 -0.37 -0.08 -1.17 0.95 0.00 0.00 175.26 174.85 2b3a s LEU 61 N -2.94 3.08 -0.02 1.83 0.20 -1.26 -0.42 118.68 119.15 2b3a s LEU 61 Ca 0.14 -0.10 0.04 0.00 0.69 0.00 0.00 54.13 54.90 2b3a s LEU 61 Cb 0.04 -1.70 -0.00 0.00 -0.43 0.00 0.00 46.19 44.09 2b3a s LEU 61 CO -0.03 0.33 -0.14 -0.22 -0.29 0.00 0.00 176.35 176.01 2b3a s LEU 62 N -0.99 1.93 -0.02 -0.68 0.20 0.12 -0.62 118.68 118.61 2b3a s LEU 62 Ca 0.14 -0.27 -0.21 0.00 0.69 0.00 0.00 54.13 54.48 2b3a s LEU 62 Cb -0.11 -0.76 -0.05 0.00 -0.43 0.00 0.00 46.19 44.84 2b3a s LEU 62 CO 0.03 0.14 0.60 -1.10 -0.29 0.00 0.00 176.35 175.73 2b3a s GLN 63 N -0.08 4.34 -0.14 1.98 -0.21 0.32 0.04 119.66 125.91 2b3a s GLN 63 Ca 0.00 0.74 0.01 0.00 0.02 0.00 0.00 55.36 56.13 2b3a s GLN 63 Cb -0.08 -3.37 -0.00 0.00 1.00 0.00 0.00 33.01 30.56 2b3a s GLN 63 CO 0.01 0.30 -0.16 0.42 -2.12 0.00 0.00 175.29 173.73 2b3a s ILE 64 N 0.04 2.65 0.00 1.08 1.09 0.10 -0.42 121.20 125.73 2b3a s ILE 64 Ca 0.32 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 59.08 2b3a s ILE 64 Cb -0.18 -2.10 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 2b3a s ILE 64 CO 0.17 0.52 0.00 0.18 -0.10 0.00 0.00 174.94 175.71 2b3a n LEU 65 N 3.86 0.00 -3.36 2.97 4.32 -1.25 -2.64 117.00 120.89 2b3a n LEU 65 Ca -0.19 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.56 2b3a n LEU 65 Cb 0.52 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.23 2b3a n LEU 65 CO 0.29 0.00 -0.25 -0.44 -1.22 0.00 0.00 177.39 175.76 2b3a s SER 66 N -0.74 1.68 0.00 -1.43 0.01 -1.26 -4.55 113.70 107.41 2b3a s SER 66 Ca 0.00 -2.36 0.00 0.00 1.31 0.00 0.00 55.95 54.90 2b3a s SER 66 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2b3a s SER 66 CO 0.00 -0.23 0.00 -0.67 0.41 0.00 0.00 173.24 172.75 2b3a n ASP 67 N 3.55 -2.51 0.00 2.44 2.03 -1.26 -4.55 116.55 116.25 2b3a n ASP 67 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2b3a n ASP 67 Cb 0.44 -2.24 0.00 0.00 -0.72 0.00 0.00 41.12 38.60 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 0.14 0.00 -4.56 1.67 2.03 -1.26 -4.96 116.55 109.62 2b3a n ASP 68 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2b3a n ASP 68 Cb 0.21 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.22 3.21 -0.12 -0.67 1.81 -1.26 -4.96 118.95 116.74 2b3a s ARG 69 Ca 0.00 -0.03 0.03 0.00 -1.72 0.00 0.00 55.73 54.01 2b3a s ARG 69 Cb 0.00 -4.17 0.01 0.00 -0.45 0.00 0.00 34.95 30.34 2b3a s ARG 69 CO 0.00 -2.10 -0.21 0.15 -0.68 0.00 0.00 175.30 172.45 2b3a s LYS 70 N 5.70 2.84 -0.18 3.54 1.02 -1.26 -3.81 119.74 127.58 2b3a s LYS 70 Ca 0.41 -0.80 -0.05 0.00 0.02 0.00 0.00 55.97 55.55 2b3a s LYS 70 Cb -0.09 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 2b3a s LYS 70 CO 0.18 0.06 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.15 2b3a s LEU 71 N 0.64 3.32 0.12 3.17 1.43 0.43 -4.93 118.68 122.87 2b3a s LEU 71 Ca -0.12 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.56 2b3a s LEU 71 Cb -0.16 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 2b3a s LEU 71 CO 0.03 0.11 0.84 -0.54 0.23 0.00 0.00 176.35 177.03 2b3a s LYS 72 N 0.70 4.62 -0.36 1.70 3.01 -1.26 0.12 119.74 128.26 2b3a s LYS 72 Ca -0.00 1.25 -0.09 0.00 -1.01 0.00 0.00 55.97 56.12 2b3a s LYS 72 Cb -0.14 -3.33 0.04 0.00 -1.01 0.00 0.00 37.83 33.39 2b3a s LYS 72 CO 0.02 0.38 0.16 0.42 0.51 0.00 0.00 175.35 176.85 2b3a s ILE 73 N -0.52 4.18 0.00 2.17 -1.09 0.21 -4.87 121.20 121.28 2b3a s ILE 73 Ca 0.40 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 2b3a s ILE 73 Cb -0.23 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 2b3a s ILE 73 CO 0.27 -0.23 0.00 -0.81 -1.23 0.00 0.00 174.94 172.94 2b3a n PRO 74 N 4.91 1.55 0.04 2.79 -0.04 -1.26 -4.28 135.00 138.71 2b3a n PRO 74 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 2b3a n PRO 74 Cb 0.45 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.78 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 0.12 -0.00 0.54 5.08 -1.98 -3.34 114.58 115.00 2b3a h GLU 75 Ca 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2b3a h GLU 75 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2b3a h GLU 75 CO 0.00 0.91 -0.06 -1.71 -1.00 0.00 0.00 179.01 177.15 2b3a n ASN 76 N -3.31 0.13 -4.83 1.42 4.05 -1.26 -4.30 115.26 107.16 2b3a n ASN 76 Ca -0.13 -0.03 -0.37 0.00 0.45 0.00 0.00 54.58 54.49 2b3a n ASN 76 Cb 1.02 -0.27 -0.06 0.00 1.23 0.00 0.00 39.78 41.70 2b3a n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2b3a s ALA 77 N -2.72 3.72 0.26 5.20 0.00 -1.25 -5.06 121.76 121.91 2b3a s ALA 77 Ca 0.23 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 2b3a s ALA 77 Cb 0.20 -2.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.93 2b3a s ALA 77 CO 0.50 0.44 0.98 -0.80 0.00 0.00 0.00 175.76 176.88 2b3a s ASN 78 N -0.76 7.51 0.23 0.00 0.02 -1.26 -4.14 114.94 116.54 2b3a s ASN 78 Ca 0.20 2.02 -0.07 0.00 -1.02 0.00 0.00 52.86 54.00 2b3a s ASN 78 Cb -0.15 -2.61 0.21 0.00 0.02 0.00 0.00 41.25 38.72 2b3a s ASN 78 CO 0.09 0.06 1.88 0.58 0.02 0.00 0.00 177.10 179.72 2b3a h VAL 79 N 3.08 1.25 0.00 1.60 2.07 -1.93 0.39 116.25 122.71 2b3a h VAL 79 Ca -0.46 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2b3a h VAL 79 Cb 1.20 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2b3a h VAL 79 CO 0.67 0.26 -0.02 -0.26 0.02 0.00 0.00 177.57 178.25 2b3a h PHE 80 N 1.24 0.00 0.00 1.57 -1.00 -1.92 0.59 116.94 117.42 2b3a h PHE 80 Ca 0.32 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.79 2b3a h PHE 80 Cb -0.05 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.46 2b3a h PHE 80 CO 0.00 0.02 -2.17 0.66 -1.61 0.00 0.00 178.31 175.21 2b3a n TYR 81 N -3.15 0.00 0.21 -0.55 4.02 -0.75 -4.51 117.16 112.43 2b3a n TYR 81 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 2b3a n TYR 81 Cb 0.20 -0.79 0.22 0.00 -0.02 0.00 0.00 39.34 38.95 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 0.03 0.93 -2.17 -0.72 0.00 -0.03 -3.44 119.26 113.85 2b3a h ALA 82 Ca -0.46 -0.11 -0.47 0.00 0.00 0.00 0.00 54.91 53.87 2b3a h ALA 82 Cb 1.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2b3a h ALA 82 CO -0.07 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.67 2b3a s MET 83 N -3.24 4.02 -0.22 0.00 0.23 0.18 -5.00 119.30 115.27 2b3a s MET 83 Ca 0.05 0.95 -0.09 0.00 -1.03 0.00 0.00 55.69 55.58 2b3a s MET 83 Cb 0.06 -2.18 -0.19 0.00 -1.53 0.00 0.00 34.83 31.00 2b3a s MET 83 CO 0.67 -0.17 -0.03 0.27 -2.03 0.00 0.00 175.02 173.74 2b3a n ASN 84 N -1.24 1.99 0.00 -1.18 0.23 -1.26 -4.93 115.26 108.86 2b3a n ASN 84 Ca 0.06 0.17 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 2b3a n ASN 84 Cb 0.54 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 2b3a n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2b3a n SER 85 N -3.78 0.00 -0.33 0.53 7.64 -1.26 -4.70 113.62 111.73 2b3a n SER 85 Ca -0.42 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.53 2b3a n SER 85 Cb 0.92 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 64.35 2b3a n SER 85 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2b3a h THR 86 N 0.00 0.84 0.00 0.44 2.02 -2.04 -3.42 112.91 110.76 2b3a h THR 86 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2b3a h THR 86 Cb 0.00 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 2b3a h THR 86 CO 0.00 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.04 2b3a n ALA 87 N -2.37 2.64 -3.11 6.16 0.00 -1.26 -5.11 120.51 117.46 2b3a n ALA 87 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 2b3a n ALA 87 Cb 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 2b3a n ALA 87 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2b3a s ASN 88 N -2.72 0.01 -0.89 0.00 2.47 -1.26 -5.06 114.94 107.48 2b3a s ASN 88 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.31 2b3a s ASN 88 Cb 0.00 0.00 0.28 0.00 -1.45 0.00 0.00 41.25 40.08 2b3a s ASN 88 CO 0.00 -0.04 1.15 0.00 -3.72 0.00 0.00 177.10 174.50 2b3a n TYR 89 N 3.37 2.91 -4.51 0.43 0.18 -1.26 -4.38 117.16 113.88 2b3a n TYR 89 Ca -0.16 -3.29 -0.31 0.00 1.88 0.00 0.00 57.90 56.02 2b3a n TYR 89 Cb 0.57 -0.96 -0.11 0.00 -0.38 0.00 0.00 39.34 38.46 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 -2.03 4.19 -0.03 9.48 -1.08 -1.08 -2.21 116.67 123.90 2b3a s ASP 90 Ca 0.35 -0.32 0.03 0.00 -0.52 0.00 0.00 52.55 52.08 2b3a s ASP 90 Cb 0.09 -0.81 0.00 0.00 -1.46 0.00 0.00 42.92 40.74 2b3a s ASP 90 CO 0.05 0.25 -0.10 -0.36 0.52 0.00 0.00 175.17 175.53 2b3a s PHE 91 N -1.00 1.04 -0.05 -5.34 0.40 -0.37 0.01 117.98 112.67 2b3a s PHE 91 Ca 0.17 -0.27 0.06 0.00 -0.60 0.00 0.00 56.93 56.29 2b3a s PHE 91 Cb -0.11 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 2b3a s PHE 91 CO 0.07 -0.11 -0.25 0.08 0.70 0.00 0.00 175.22 175.72 2b3a s VAL 92 N 0.17 2.04 -0.23 -0.44 1.01 0.11 0.14 120.40 123.19 2b3a s VAL 92 Ca -0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 2b3a s VAL 92 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2b3a s VAL 92 CO 0.01 0.57 0.07 -0.22 0.00 0.00 0.00 175.10 175.53 2b3a s LEU 93 N -0.25 3.58 0.07 3.92 2.96 -0.79 0.14 118.68 128.30 2b3a s LEU 93 Ca -0.01 -0.11 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 2b3a s LEU 93 Cb -0.13 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2b3a s LEU 93 CO 0.03 0.03 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.30 2b3a s LYS 94 N 1.23 1.73 -0.29 1.98 3.01 0.44 -2.02 119.74 125.82 2b3a s LYS 94 Ca 0.05 -1.16 -0.16 0.00 -1.01 0.00 0.00 55.97 53.69 2b3a s LYS 94 Cb -0.14 -2.00 -0.03 0.00 -1.01 0.00 0.00 37.83 34.65 2b3a s LYS 94 CO 0.04 0.50 0.43 0.21 0.51 0.00 0.00 175.35 177.03 2b3a s LYS 95 N -1.54 3.89 -0.86 1.68 2.20 -1.26 -0.50 119.74 123.35 2b3a s LYS 95 Ca 0.13 -0.00 -0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2b3a s LYS 95 Cb -0.10 -3.70 0.22 0.00 -1.51 0.00 0.00 37.83 32.73 2b3a s LYS 95 CO 0.04 -0.39 0.76 0.54 -0.36 0.00 0.00 175.35 175.94 2b3a n ARG 96 N 5.46 2.56 0.00 4.03 1.74 0.12 -4.98 116.66 125.59 2b3a n ARG 96 Ca -0.07 -4.50 0.00 0.00 -0.77 0.00 0.00 57.85 52.52 2b3a n ARG 96 Cb 0.50 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 2b3a n ARG 96 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52