#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 -0.59 3.95 0.20 0.00 1.01 -1.26 -0.31 121.20 124.19 2b3a s ILE 14 Ca -0.00 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.41 2b3a s ILE 14 Cb -0.06 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 2b3a s ILE 14 CO 0.00 0.42 -0.15 0.27 0.00 0.00 0.00 174.94 175.48 2b3a s ILE 15 N 1.11 1.71 -0.03 2.92 -4.36 -0.13 -4.96 121.20 117.45 2b3a s ILE 15 Ca 0.03 -2.17 0.04 0.00 -0.26 0.00 0.00 60.65 58.29 2b3a s ILE 15 Cb -0.14 -2.00 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 2b3a s ILE 15 CO 0.01 -0.58 -0.14 -0.60 0.24 0.00 0.00 174.94 173.88 2b3a s ARG 16 N -3.56 2.45 0.01 0.37 3.00 -0.97 -0.80 118.95 119.45 2b3a s ARG 16 Ca 0.21 -0.73 0.04 0.00 -1.00 0.00 0.00 55.73 54.25 2b3a s ARG 16 Cb -0.01 -2.36 -0.01 0.00 0.00 0.00 0.00 34.95 32.56 2b3a s ARG 16 CO 0.06 0.61 -0.13 0.08 0.00 0.00 0.00 175.30 175.93 2b3a s VAL 17 N -0.77 1.04 0.06 7.11 1.01 0.63 -1.02 120.40 128.45 2b3a s VAL 17 Ca 0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2b3a s VAL 17 Cb -0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2b3a s VAL 17 CO 0.01 0.15 0.06 -0.94 0.00 0.00 0.00 175.10 174.39 2b3a s SER 18 N -0.67 0.32 0.43 3.32 1.04 -0.77 -2.09 113.70 115.29 2b3a s SER 18 Ca 0.03 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 2b3a s SER 18 Cb -0.06 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2b3a s SER 18 CO 0.00 -0.63 0.72 -0.76 0.98 0.00 0.00 173.24 173.55 2b3a s LEU 19 N -2.78 3.76 0.19 2.42 1.43 -0.93 -1.51 118.68 121.25 2b3a s LEU 19 Ca 0.04 0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 53.81 2b3a s LEU 19 Cb 0.06 -3.75 0.15 0.00 0.03 0.00 0.00 46.19 42.68 2b3a s LEU 19 CO -0.10 -0.48 1.63 -0.78 0.23 0.00 0.00 176.35 176.86 2b3a h ASP 20 N 0.53 -0.63 -0.07 2.29 1.82 -1.16 -2.19 116.42 117.00 2b3a h ASP 20 Ca -0.48 0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.31 2b3a h ASP 20 Cb 1.20 0.37 -0.01 0.00 0.68 0.00 0.00 39.33 41.58 2b3a h ASP 20 CO 0.62 -0.21 -0.01 1.62 -1.61 0.00 0.00 179.24 179.64 2b3a h VAL 21 N -0.06 1.12 -3.04 2.25 3.04 -1.94 -3.36 116.25 114.27 2b3a h VAL 21 Ca 0.24 -0.48 -0.62 0.00 -1.01 0.00 0.00 66.70 64.83 2b3a h VAL 21 Cb 0.43 1.01 -0.40 0.00 -2.01 0.00 0.00 31.29 30.32 2b3a h VAL 21 CO -0.55 0.16 -0.72 -0.62 -1.01 0.00 0.00 177.57 174.83 2b3a s ASP 22 N -6.88 3.75 -0.36 3.17 2.15 -0.84 -4.91 116.67 112.75 2b3a s ASP 22 Ca -0.06 -2.80 0.07 0.00 0.43 0.00 0.00 52.55 50.19 2b3a s ASP 22 Cb 0.16 -1.16 0.55 0.00 -0.30 0.00 0.00 42.92 42.18 2b3a s ASP 22 CO 0.72 -0.24 1.63 -0.46 -0.17 0.00 0.00 175.17 176.64 2b3a n ASN 23 N 3.33 3.22 -1.64 -0.34 6.94 -1.11 -2.20 115.26 123.47 2b3a n ASN 23 Ca 0.10 -3.74 -0.09 0.00 -0.02 0.00 0.00 54.58 50.83 2b3a n ASN 23 Cb 0.35 -0.71 0.03 0.00 -2.36 0.00 0.00 39.78 37.09 2b3a n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2b3a n GLY 24 N -1.11 3.24 2.38 4.83 0.00 -1.26 -4.86 105.19 108.40 2b3a n GLY 24 Ca 0.44 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 0.70 -4.67 -0.37 1.61 2.85 -1.26 -5.00 115.26 109.12 2b3a n ASN 25 Ca 0.16 1.49 0.00 0.00 -0.11 0.00 0.00 54.58 56.12 2b3a n ASN 25 Cb 0.60 -4.93 0.00 0.00 1.24 0.00 0.00 39.78 36.68 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 1.64 -1.03 0.00 1.20 0.00 -1.26 -5.11 117.12 112.56 2b3a n MET 26 Ca -0.20 0.75 0.00 0.00 0.00 0.00 0.00 57.70 58.25 2b3a n MET 26 Cb 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 33.22 32.70 2b3a n MET 26 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2b3a n TYR 27 N -0.43 0.00 -4.35 1.12 4.19 -1.23 -4.99 117.16 111.47 2b3a n TYR 27 Ca 0.00 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 2b3a n TYR 27 Cb 0.00 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 39.73 2b3a n TYR 27 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2b3a s LYS 28 N 0.00 1.35 -0.05 2.98 -2.85 -0.89 -4.99 119.74 115.30 2b3a s LYS 28 Ca 0.00 -1.58 0.05 0.00 -1.00 0.00 0.00 55.97 53.44 2b3a s LYS 28 Cb 0.00 -1.20 -0.02 0.00 -2.06 0.00 0.00 37.83 34.55 2b3a s LYS 28 CO 0.00 0.21 -0.20 0.45 0.10 0.00 0.00 175.35 175.91 2b3a s SER 29 N -3.25 3.54 -0.04 0.03 0.15 -1.26 -0.27 113.70 112.59 2b3a s SER 29 Ca 0.22 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.59 2b3a s SER 29 Cb -0.02 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.51 2b3a s SER 29 CO 0.08 0.30 -0.25 -0.63 1.20 0.00 0.00 173.24 173.93 2b3a s ILE 30 N -0.48 2.06 -0.19 6.45 -1.09 0.02 -4.96 121.20 123.02 2b3a s ILE 30 Ca 0.06 -1.09 -0.17 0.00 -2.23 0.00 0.00 60.65 57.22 2b3a s ILE 30 Cb -0.12 -1.72 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 2b3a s ILE 30 CO 0.01 0.58 0.44 -0.22 -1.23 0.00 0.00 174.94 174.52 2b3a s LEU 31 N -0.39 4.17 -0.09 2.97 0.20 -1.26 -0.96 118.68 123.32 2b3a s LEU 31 Ca 0.03 0.61 0.01 0.00 0.69 0.00 0.00 54.13 55.47 2b3a s LEU 31 Cb -0.12 -2.60 -0.02 0.00 -0.43 0.00 0.00 46.19 43.02 2b3a s LEU 31 CO 0.01 -0.10 -0.12 0.54 -0.29 0.00 0.00 176.35 176.39 2b3a s VAL 32 N 1.30 3.18 0.28 1.68 0.11 0.57 -4.96 120.40 122.57 2b3a s VAL 32 Ca 0.21 -0.65 0.08 0.00 -2.93 0.00 0.00 61.98 58.69 2b3a s VAL 32 Cb -0.15 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2b3a s VAL 32 CO 0.09 0.56 0.18 0.42 -3.33 0.00 0.00 175.10 173.02 2b3a s THR 33 N -0.24 3.93 -0.94 5.04 -4.23 -1.26 -1.04 115.64 116.90 2b3a s THR 33 Ca 0.02 -1.51 0.17 0.00 -1.18 0.00 0.00 61.69 59.19 2b3a s THR 33 Cb -0.13 -3.22 0.15 0.00 1.34 0.00 0.00 72.50 70.64 2b3a s THR 33 CO 0.03 -0.30 1.55 -0.24 -0.54 0.00 0.00 174.62 175.12 2b3a n SER 34 N -1.17 0.08 0.28 3.99 2.88 -1.26 -2.72 113.62 115.69 2b3a n SER 34 Ca -0.06 0.52 0.16 0.00 -1.33 0.00 0.00 58.87 58.16 2b3a n SER 34 Cb 0.59 -0.54 0.78 0.00 -0.75 0.00 0.00 64.21 64.29 2b3a n SER 34 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2b3a h GLN 35 N 0.00 0.00 -6.26 -1.46 3.07 -1.96 -3.44 115.11 105.06 2b3a h GLN 35 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.16 2b3a h GLN 35 Cb 0.30 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.77 2b3a h GLN 35 CO 0.00 0.07 -0.61 0.34 0.09 0.00 0.00 178.83 178.72 2b3a s ASP 36 N -5.82 5.06 0.29 0.06 2.15 -1.10 -5.13 116.67 112.17 2b3a s ASP 36 Ca -0.02 -0.33 0.07 0.00 0.43 0.00 0.00 52.55 52.70 2b3a s ASP 36 Cb 0.11 -1.17 -0.03 0.00 -0.30 0.00 0.00 42.92 41.54 2b3a s ASP 36 CO 0.54 0.06 0.32 -0.54 -0.17 0.00 0.00 175.17 175.39 2b3a s LYS 37 N -3.19 3.05 0.08 4.34 1.02 -1.26 -4.69 119.74 119.09 2b3a s LYS 37 Ca 0.30 -1.03 -0.19 0.00 0.02 0.00 0.00 55.97 55.06 2b3a s LYS 37 Cb -0.09 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 2b3a s LYS 37 CO 0.21 0.26 1.53 0.00 -0.92 0.00 0.00 175.35 176.42 2b3a h ALA 38 N 1.21 0.28 -0.21 5.17 0.00 -1.86 -1.42 119.26 122.43 2b3a h ALA 38 Ca -0.48 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.27 2b3a h ALA 38 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2b3a h ALA 38 CO 0.58 -0.01 0.15 -1.00 0.00 0.00 0.00 179.25 178.96 2b3a h PRO 39 N 0.14 0.14 -0.21 0.00 0.13 -1.79 0.46 132.00 130.88 2b3a h PRO 39 Ca 0.06 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.99 2b3a h PRO 39 Cb 0.36 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.47 2b3a h PRO 39 CO 0.01 0.09 -0.61 0.00 -0.23 0.00 0.00 178.00 177.26 2b3a h ALA 40 N 1.88 0.35 -0.39 -0.56 0.00 -1.91 -2.62 119.26 116.01 2b3a h ALA 40 Ca 0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2b3a h ALA 40 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2b3a h ALA 40 CO -0.01 0.61 0.12 0.28 0.00 0.00 0.00 179.25 180.25 2b3a h VAL 41 N 0.52 1.17 -0.14 0.00 2.07 0.03 0.32 116.25 120.22 2b3a h VAL 41 Ca -0.02 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 66.97 2b3a h VAL 41 Cb 1.24 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2b3a h VAL 41 CO 0.13 0.21 -0.20 0.40 0.02 0.00 0.00 177.57 178.14 2b3a h ILE 42 N 0.56 0.50 -0.28 4.57 2.04 0.02 0.52 117.51 125.43 2b3a h ILE 42 Ca 0.13 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 2b3a h ILE 42 Cb 0.18 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2b3a h ILE 42 CO -0.01 0.00 -0.02 -0.09 0.00 0.00 0.00 178.15 178.04 2b3a h ARG 43 N -0.25 0.50 -0.49 2.37 2.43 -0.85 -2.86 114.38 115.24 2b3a h ARG 43 Ca 0.10 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2b3a h ARG 43 Cb 0.40 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2b3a h ARG 43 CO -0.29 0.67 0.30 0.87 -1.51 0.00 0.00 179.97 180.02 2b3a h LYS 44 N 0.28 0.58 -0.13 0.20 1.79 0.38 0.38 116.57 120.05 2b3a h LYS 44 Ca 0.08 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.34 2b3a h LYS 44 Cb 0.46 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2b3a h LYS 44 CO 0.02 0.39 -0.63 0.00 -1.08 0.00 0.00 179.45 178.14 2b3a h ALA 45 N 1.20 0.65 -0.23 3.86 0.00 -0.04 0.18 119.26 124.89 2b3a h ALA 45 Ca 0.19 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 2b3a h ALA 45 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2b3a h ALA 45 CO -0.07 0.72 -0.57 0.00 0.00 0.00 0.00 179.25 179.33 2b3a h MET 46 N 0.36 0.71 -0.66 0.00 -0.00 -1.25 -3.18 114.93 110.90 2b3a h MET 46 Ca -0.01 -0.46 0.05 0.00 -0.00 0.00 0.00 59.70 59.28 2b3a h MET 46 Cb 1.19 0.06 -0.04 0.00 -0.00 0.00 0.00 31.60 32.81 2b3a h MET 46 CO 0.11 1.08 0.44 0.22 -0.00 0.00 0.00 176.91 178.76 2b3a h ASP 47 N 0.54 0.63 0.28 -0.10 1.82 0.27 -0.17 116.42 119.69 2b3a h ASP 47 Ca 0.01 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2b3a h ASP 47 Cb 1.14 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.02 2b3a h ASP 47 CO 0.12 0.42 0.00 0.50 -1.61 0.00 0.00 179.24 178.67 2b3a h LYS 48 N 0.72 0.00 -0.57 0.28 1.63 -0.64 0.44 116.57 118.43 2b3a h LYS 48 Ca 0.28 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2b3a h LYS 48 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2b3a h LYS 48 CO -0.08 0.00 0.00 0.72 -3.45 0.00 0.00 179.45 176.64 2b3a n HIS 49 N -2.66 0.77 -0.99 1.91 8.25 -0.08 -4.91 115.22 117.52 2b3a n HIS 49 Ca -0.01 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2b3a n HIS 49 Cb 0.12 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 1.15 -4.70 -3.61 0.41 4.05 0.15 -4.89 115.26 107.83 2b3a n ASN 50 Ca 0.19 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.81 2b3a n ASN 50 Cb 0.49 -2.39 -0.00 0.00 1.23 0.00 0.00 39.78 39.11 2b3a n ASN 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2b3a n LEU 51 N 0.00 7.61 0.29 1.20 -0.00 -1.23 -4.65 117.00 120.21 2b3a n LEU 51 Ca 0.00 -4.82 0.16 0.00 -0.00 0.00 0.00 56.01 51.35 2b3a n LEU 51 Cb 0.31 -1.40 0.85 0.00 -0.00 0.00 0.00 43.42 43.18 2b3a n LEU 51 CO 0.00 1.85 1.04 -0.33 -0.00 0.00 0.00 177.39 179.95 2b3a h GLU 52 N 4.97 0.00 -0.02 1.47 5.08 -1.82 -2.71 114.58 121.55 2b3a h GLU 52 Ca 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 2b3a h GLU 52 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2b3a h GLU 52 CO 1.53 0.06 0.00 -0.85 -1.00 0.00 0.00 179.01 178.75 2b3a n GLU 53 N -3.46 1.20 -3.63 2.33 0.00 -1.26 -4.71 120.64 111.11 2b3a n GLU 53 Ca -0.02 -0.30 -0.36 0.00 0.00 0.00 0.00 57.16 56.48 2b3a n GLU 53 Cb 0.19 -1.45 -0.07 0.00 0.00 0.00 0.00 31.44 30.11 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 -1.98 4.13 0.01 3.44 0.41 -1.02 -5.08 118.70 118.60 2b3a s GLU 54 Ca 0.41 -0.01 -0.01 0.00 -0.41 0.00 0.00 54.97 54.95 2b3a s GLU 54 Cb 0.20 -3.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.12 2b3a s GLU 54 CO 0.33 0.34 0.15 -1.21 -0.49 0.00 0.00 175.26 174.38 2b3a s GLU 55 N 0.19 3.28 0.25 1.61 8.01 -1.26 -4.97 118.70 125.81 2b3a s GLU 55 Ca 0.14 -0.42 0.16 0.00 0.01 0.00 0.00 54.97 54.86 2b3a s GLU 55 Cb -0.12 -2.99 0.87 0.00 -4.31 0.00 0.00 34.13 27.58 2b3a s GLU 55 CO 0.03 0.65 1.47 -2.30 0.01 0.00 0.00 175.26 175.11 2b3a n PRO 56 N 0.89 0.10 0.24 0.39 -0.02 -1.26 -0.67 135.00 134.67 2b3a n PRO 56 Ca -0.11 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.13 2b3a n PRO 56 Cb 0.52 -1.89 0.61 0.00 -0.02 0.00 0.00 33.50 32.73 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 -2.00 -3.22 114.58 113.92 2b3a h GLU 57 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2b3a h GLU 57 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2b3a h GLU 57 CO 0.00 0.00 -2.13 -3.47 -1.00 0.00 0.00 179.01 172.41 2b3a n ASP 58 N -2.87 1.83 -4.45 1.42 -0.08 0.16 -4.77 116.55 107.79 2b3a n ASP 58 Ca 0.01 -0.06 -0.26 0.00 -1.51 0.00 0.00 54.79 52.97 2b3a n ASP 58 Cb 0.30 0.20 -0.11 0.00 2.34 0.00 0.00 41.12 43.85 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 -2.40 2.34 0.23 -0.67 1.51 -1.05 0.89 117.35 118.21 2b3a s TYR 59 Ca -0.19 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2b3a s TYR 59 Cb 0.06 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 2b3a s TYR 59 CO 0.55 0.53 -0.05 -1.21 -1.11 0.00 0.00 175.55 174.26 2b3a s GLU 60 N -2.82 1.36 -0.17 -0.62 0.41 0.38 -4.48 118.70 112.77 2b3a s GLU 60 Ca 0.23 -1.67 -0.02 0.00 -0.41 0.00 0.00 54.97 53.09 2b3a s GLU 60 Cb -0.08 -0.84 -0.02 0.00 -1.78 0.00 0.00 34.13 31.42 2b3a s GLU 60 CO 0.11 -0.00 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.63 2b3a s LEU 61 N -3.33 2.91 -0.11 1.80 0.20 -1.26 -0.50 118.68 118.40 2b3a s LEU 61 Ca 0.26 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.82 2b3a s LEU 61 Cb 0.04 -1.70 0.00 0.00 -0.43 0.00 0.00 46.19 44.11 2b3a s LEU 61 CO 0.08 0.11 -0.22 -0.22 -0.29 0.00 0.00 176.35 175.81 2b3a s LEU 62 N 0.72 2.04 0.14 -0.68 0.20 0.59 -0.70 118.68 121.00 2b3a s LEU 62 Ca -0.04 -0.54 -0.22 0.00 0.69 0.00 0.00 54.13 54.02 2b3a s LEU 62 Cb -0.15 -1.36 -0.08 0.00 -0.43 0.00 0.00 46.19 44.18 2b3a s LEU 62 CO 0.02 0.12 0.69 -1.10 -0.29 0.00 0.00 176.35 175.80 2b3a s GLN 63 N 0.51 4.38 -0.04 1.98 -0.21 0.20 -0.74 119.66 125.74 2b3a s GLN 63 Ca -0.15 0.96 0.03 0.00 0.02 0.00 0.00 55.36 56.21 2b3a s GLN 63 Cb -0.17 -3.19 0.01 0.00 1.00 0.00 0.00 33.01 30.65 2b3a s GLN 63 CO 0.06 0.57 -0.12 0.42 -2.12 0.00 0.00 175.29 174.09 2b3a s ILE 64 N -1.19 1.08 0.00 1.08 1.01 0.90 -0.96 121.20 123.11 2b3a s ILE 64 Ca 0.34 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2b3a s ILE 64 Cb -0.21 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2b3a s ILE 64 CO 0.23 0.33 0.00 0.18 0.00 0.00 0.00 174.94 175.68 2b3a n LEU 65 N 3.45 0.00 0.00 2.97 4.32 -1.19 -2.48 117.00 124.07 2b3a n LEU 65 Ca -0.20 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.56 2b3a n LEU 65 Cb 0.53 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 2b3a n LEU 65 CO 0.25 -0.08 -0.14 -1.54 -1.22 0.00 0.00 177.39 174.66 2b3a n SER 66 N -1.25 2.92 -3.90 -1.43 3.41 -1.21 -4.81 113.62 107.35 2b3a n SER 66 Ca 0.00 -2.59 -0.43 0.00 -0.26 0.00 0.00 58.87 55.59 2b3a n SER 66 Cb 0.00 0.22 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2b3a n SER 66 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2b3a n ASP 67 N -1.32 5.76 0.02 4.04 2.03 -1.26 -3.97 116.55 121.86 2b3a n ASP 67 Ca -0.13 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 51.93 2b3a n ASP 67 Cb 0.47 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 2b3a n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2b3a n ASP 68 N 2.69 -0.38 -4.62 1.67 5.75 -1.26 -5.07 116.55 115.32 2b3a n ASP 68 Ca 0.35 0.25 -0.43 0.00 -0.01 0.00 0.00 54.79 54.96 2b3a n ASP 68 Cb 0.34 0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 40.98 2b3a n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2b3a s ARG 69 N -2.00 3.99 -0.00 0.11 1.81 -1.25 -5.01 118.95 116.60 2b3a s ARG 69 Ca 0.00 0.81 -0.07 0.00 -1.72 0.00 0.00 55.73 54.75 2b3a s ARG 69 Cb 0.00 -3.75 0.00 0.00 -0.45 0.00 0.00 34.95 30.76 2b3a s ARG 69 CO 0.00 -0.83 0.14 0.21 -0.68 0.00 0.00 175.30 174.14 2b3a s LYS 70 N 3.36 0.46 -0.06 3.54 2.47 -1.26 -3.18 119.74 125.08 2b3a s LYS 70 Ca 0.39 -0.37 -0.04 0.00 -1.56 0.00 0.00 55.97 54.39 2b3a s LYS 70 Cb -0.13 0.19 0.02 0.00 -1.46 0.00 0.00 37.83 36.46 2b3a s LYS 70 CO 0.15 -0.11 0.15 -0.51 0.16 0.00 0.00 175.35 175.19 2b3a s LEU 71 N -1.30 1.13 -0.05 5.43 1.43 -0.14 -5.02 118.68 120.16 2b3a s LEU 71 Ca -0.14 0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 2b3a s LEU 71 Cb -0.07 0.45 -0.05 0.00 0.03 0.00 0.00 46.19 46.54 2b3a s LEU 71 CO 0.01 -0.09 0.33 -0.54 0.23 0.00 0.00 176.35 176.29 2b3a s LYS 72 N 0.55 3.85 -0.38 1.70 3.01 -1.26 0.60 119.74 127.80 2b3a s LYS 72 Ca -0.04 0.25 -0.10 0.00 -1.01 0.00 0.00 55.97 55.07 2b3a s LYS 72 Cb -0.05 -3.24 0.04 0.00 -1.01 0.00 0.00 37.83 33.57 2b3a s LYS 72 CO -0.03 0.65 0.20 0.42 0.51 0.00 0.00 175.35 177.10 2b3a s ILE 73 N -0.86 4.33 0.00 2.17 -1.09 0.12 -4.88 121.20 121.00 2b3a s ILE 73 Ca 0.21 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 2b3a s ILE 73 Cb -0.15 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2b3a s ILE 73 CO 0.10 -0.29 0.00 -0.81 -1.23 0.00 0.00 174.94 172.71 2b3a n PRO 74 N 4.94 1.42 0.02 2.79 -0.04 -1.26 -4.13 135.00 138.75 2b3a n PRO 74 Ca -0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 2b3a n PRO 74 Cb 0.45 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.13 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 0.46 0.00 0.54 4.39 -1.98 -3.19 114.58 114.81 2b3a h GLU 75 Ca 0.00 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2b3a h GLU 75 Cb 0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2b3a h GLU 75 CO 0.00 0.66 -0.41 -1.71 -1.16 0.00 0.00 179.01 176.39 2b3a n ASN 76 N -4.14 0.47 -4.66 1.42 4.05 -1.26 -4.50 115.26 106.63 2b3a n ASN 76 Ca -0.00 0.02 -0.35 0.00 0.45 0.00 0.00 54.58 54.70 2b3a n ASN 76 Cb 0.39 0.04 -0.09 0.00 1.23 0.00 0.00 39.78 41.34 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 -3.05 3.50 0.39 5.20 0.00 -1.20 -5.07 121.76 121.52 2b3a s ALA 77 Ca 0.10 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 2b3a s ALA 77 Cb 0.17 -2.02 -0.10 0.00 0.00 0.00 0.00 23.12 21.17 2b3a s ALA 77 CO 0.67 0.14 0.98 -0.80 0.00 0.00 0.00 175.76 176.75 2b3a s ASN 78 N 0.42 7.01 0.19 0.00 0.02 -1.26 -4.16 114.94 117.17 2b3a s ASN 78 Ca 0.05 1.84 -0.10 0.00 -1.02 0.00 0.00 52.86 53.63 2b3a s ASN 78 Cb -0.12 -2.57 0.10 0.00 0.02 0.00 0.00 41.25 38.68 2b3a s ASN 78 CO -0.00 -0.30 1.71 0.58 0.02 0.00 0.00 177.10 179.10 2b3a h VAL 79 N 2.22 1.26 0.00 1.60 2.07 -1.90 0.51 116.25 122.00 2b3a h VAL 79 Ca -0.48 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2b3a h VAL 79 Cb 1.19 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2b3a h VAL 79 CO 0.63 0.35 0.00 -0.26 0.02 0.00 0.00 177.57 178.31 2b3a h PHE 80 N 0.99 0.00 0.00 1.57 -1.00 -1.93 0.58 116.94 117.15 2b3a h PHE 80 Ca 0.21 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.80 2b3a h PHE 80 Cb 0.34 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.87 2b3a h PHE 80 CO 0.03 0.00 -1.97 0.66 -1.61 0.00 0.00 178.31 175.42 2b3a n TYR 81 N -2.77 0.00 0.04 -0.55 4.01 -0.62 -4.55 117.16 112.71 2b3a n TYR 81 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2b3a n TYR 81 Cb 0.22 -0.64 -0.09 0.00 -0.31 0.00 0.00 39.34 38.52 2b3a n TYR 81 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b3a n ALA 82 N -2.42 2.52 -1.78 -0.72 0.00 0.17 -4.93 120.51 113.35 2b3a n ALA 82 Ca -0.18 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 2b3a n ALA 82 Cb 0.83 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 2b3a n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b3a s MET 83 N -3.33 4.25 -0.03 0.00 0.23 0.16 -4.96 119.30 115.62 2b3a s MET 83 Ca -0.05 1.54 -0.18 0.00 -1.03 0.00 0.00 55.69 55.97 2b3a s MET 83 Cb 0.11 -2.64 -0.32 0.00 -1.53 0.00 0.00 34.83 30.45 2b3a s MET 83 CO 0.85 -0.07 0.85 -2.95 -2.03 0.00 0.00 175.02 171.67 2b3a h ASN 84 N 2.71 0.59 0.00 -1.18 7.08 -1.91 -3.48 115.58 119.39 2b3a h ASN 84 Ca -0.48 -0.93 0.00 0.00 -3.08 0.00 0.00 56.30 51.81 2b3a h ASN 84 Cb 1.21 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 37.26 2b3a h ASN 84 CO 0.63 1.56 0.00 -1.54 -2.08 0.00 0.00 177.43 176.00 2b3a n SER 85 N -3.92 0.00 -0.88 6.14 3.41 -1.26 -4.55 113.62 112.55 2b3a n SER 85 Ca -0.18 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.46 2b3a n SER 85 Cb 0.94 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 65.02 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 0.00 0.80 -3.83 6.66 -1.04 -1.26 -4.79 114.28 110.81 2b3a n THR 86 Ca 0.00 -0.42 -0.08 0.00 -2.04 0.00 0.00 64.05 61.52 2b3a n THR 86 Cb 0.00 -0.38 -0.02 0.00 -1.82 0.00 0.00 70.33 68.11 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 -1.56 -1.17 0.65 2.41 0.00 -1.26 -5.15 121.76 115.68 2b3a s ALA 87 Ca 0.17 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2b3a s ALA 87 Cb 0.12 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 2b3a s ALA 87 CO 0.05 -1.00 0.97 0.27 0.00 0.00 0.00 175.76 176.06 2b3a n ASN 88 N -0.44 0.68 -4.09 0.00 2.04 -1.26 -4.96 115.26 107.23 2b3a n ASN 88 Ca -0.05 0.75 -0.35 0.00 -0.44 0.00 0.00 54.58 54.49 2b3a n ASN 88 Cb 0.60 -1.40 -0.07 0.00 -2.53 0.00 0.00 39.78 36.38 2b3a n ASN 88 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 2b3a s TYR 89 N -1.60 3.82 -0.06 -2.53 -0.85 -1.26 -4.61 117.35 110.27 2b3a s TYR 89 Ca 0.76 -3.03 0.01 0.00 -0.52 0.00 0.00 57.07 54.29 2b3a s TYR 89 Cb -0.39 -3.19 -0.03 0.00 0.38 0.00 0.00 41.96 38.73 2b3a s TYR 89 CO 0.47 -0.73 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.22 2b3a s ASP 90 N -0.17 4.83 0.01 -0.18 1.01 -1.04 -2.30 116.67 118.84 2b3a s ASP 90 Ca 0.26 0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.54 2b3a s ASP 90 Cb -0.08 -1.25 -0.01 0.00 1.01 0.00 0.00 42.92 42.59 2b3a s ASP 90 CO -0.12 0.35 -0.03 -0.36 0.21 0.00 0.00 175.17 175.22 2b3a s PHE 91 N -0.88 0.28 0.02 4.23 0.40 -0.19 -0.07 117.98 121.78 2b3a s PHE 91 Ca 0.14 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 2b3a s PHE 91 Cb -0.11 -0.18 -0.02 0.00 0.51 0.00 0.00 43.02 43.22 2b3a s PHE 91 CO 0.03 -0.05 -0.16 0.08 0.70 0.00 0.00 175.22 175.82 2b3a s VAL 92 N -0.48 1.30 -0.26 -0.44 1.01 0.09 -1.84 120.40 119.77 2b3a s VAL 92 Ca -0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 2b3a s VAL 92 Cb -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2b3a s VAL 92 CO -0.00 0.17 0.12 -0.22 0.00 0.00 0.00 175.10 175.17 2b3a s LEU 93 N -0.89 3.68 0.09 3.92 2.96 -0.57 -0.30 118.68 127.58 2b3a s LEU 93 Ca 0.05 -0.14 0.09 0.00 -0.22 0.00 0.00 54.13 53.91 2b3a s LEU 93 Cb -0.07 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2b3a s LEU 93 CO 0.01 -0.04 -0.22 -1.59 -1.32 0.00 0.00 176.35 173.19 2b3a s LYS 94 N 1.67 1.75 0.24 1.98 0.00 0.35 -0.50 119.74 125.23 2b3a s LYS 94 Ca 0.07 -1.17 -0.30 0.00 0.00 0.00 0.00 55.97 54.57 2b3a s LYS 94 Cb -0.15 -2.05 -0.09 0.00 0.00 0.00 0.00 37.83 35.53 2b3a s LYS 94 CO 0.07 0.49 0.93 0.21 0.00 0.00 0.00 175.35 177.05 2b3a s LYS 95 N -1.82 4.83 -0.24 1.78 2.20 -1.26 -0.47 119.74 124.76 2b3a s LYS 95 Ca 0.15 1.46 -0.17 0.00 -0.36 0.00 0.00 55.97 57.06 2b3a s LYS 95 Cb -0.10 -3.26 -0.13 0.00 -1.51 0.00 0.00 37.83 32.83 2b3a s LYS 95 CO 0.07 0.51 -0.16 0.54 -0.36 0.00 0.00 175.35 175.94 2b3a n ARG 96 N 1.46 0.57 -0.86 4.03 1.74 0.26 -4.88 116.66 118.97 2b3a n ARG 96 Ca -0.02 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2b3a n ARG 96 Cb 0.47 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 2b3a n ARG 96 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52