#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rax n GLN 24 N 0.00 0.15 -4.36 3.69 7.27 -1.26 -5.01 117.38 117.87 1rax n GLN 24 Ca 0.00 0.08 -0.27 0.00 0.07 0.00 0.00 57.00 56.88 1rax n GLN 24 Cb 0.00 -1.59 -0.11 0.00 2.41 0.00 0.00 30.24 30.95 1rax n GLN 24 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1rax s VAL 25 N -1.99 2.71 0.14 1.69 1.01 -1.26 -5.10 120.40 117.61 1rax s VAL 25 Ca 0.60 -1.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 1rax s VAL 25 Cb -0.34 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.66 1rax s VAL 25 CO 0.64 -0.08 1.29 -0.83 0.00 0.00 0.00 175.10 176.12 1rax s GLY 26 N -2.63 2.33 -0.29 4.51 0.00 -1.26 -4.99 107.32 104.98 1rax s GLY 26 Ca 0.22 1.03 0.02 0.00 0.00 0.00 0.00 44.72 45.98 1rax s GLY 26 CO 0.12 2.12 0.70 0.99 0.00 0.00 0.00 173.10 177.03 1rax s ASP 27 N 0.70 -1.33 0.07 1.64 1.01 -1.26 -5.12 116.67 112.38 1rax s ASP 27 Ca 0.59 0.14 0.04 0.00 0.71 0.00 0.00 52.55 54.02 1rax s ASP 27 Cb -0.34 1.84 -0.03 0.00 1.01 0.00 0.00 42.92 45.39 1rax s ASP 27 CO 0.33 -0.24 -0.10 0.00 0.21 0.00 0.00 175.17 175.37 1rax s ILE 30 N -1.86 5.35 0.17 0.00 1.09 -1.26 -0.56 121.20 124.12 1rax s ILE 30 Ca -0.10 0.17 0.10 0.00 -1.10 0.00 0.00 60.65 59.71 1rax s ILE 30 Cb -0.04 -3.43 -0.04 0.00 -1.06 0.00 0.00 42.46 37.89 1rax s ILE 30 CO 0.00 0.46 -0.22 0.27 -0.10 0.00 0.00 174.94 175.35 1rax s ILE 31 N 0.23 2.08 -0.20 2.92 -4.36 -0.83 -4.99 121.20 116.05 1rax s ILE 31 Ca 0.08 -1.93 -0.09 0.00 -0.26 0.00 0.00 60.65 58.46 1rax s ILE 31 Cb -0.11 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1rax s ILE 31 CO -0.01 -0.18 0.10 -0.60 0.24 0.00 0.00 174.94 174.48 1rax s ARG 32 N -2.62 4.04 -0.06 0.37 3.52 -0.45 -1.82 118.95 121.93 1rax s ARG 32 Ca 0.17 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1rax s ARG 32 Cb -0.07 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1rax s ARG 32 CO 0.08 0.24 -0.03 0.08 -0.81 0.00 0.00 175.30 174.85 1rax s VAL 33 N 0.50 0.52 0.35 7.11 1.01 0.17 0.32 120.40 130.38 1rax s VAL 33 Ca 0.05 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1rax s VAL 33 Cb -0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 1rax s VAL 33 CO 0.00 0.25 -0.02 -0.55 0.00 0.00 0.00 175.10 174.78 1rax s SER 34 N 1.32 4.03 0.14 3.32 0.15 -0.46 -1.12 113.70 121.06 1rax s SER 34 Ca -0.05 -1.07 0.05 0.00 0.70 0.00 0.00 55.95 55.58 1rax s SER 34 Cb -0.14 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1rax s SER 34 CO -0.02 -0.24 0.10 -0.76 1.20 0.00 0.00 173.24 173.52 1rax s LEU 35 N -3.69 3.74 -1.18 3.45 1.02 -1.26 -0.52 118.68 120.23 1rax s LEU 35 Ca 0.34 -0.12 -0.04 0.00 0.02 0.00 0.00 54.13 54.33 1rax s LEU 35 Cb 0.01 -2.38 0.20 0.00 0.02 0.00 0.00 46.19 44.04 1rax s LEU 35 CO 0.18 0.11 2.17 -0.67 0.02 0.00 0.00 176.35 178.16 1rax n ASP 36 N -0.05 7.75 0.16 2.29 -0.08 -0.68 -4.59 116.55 121.35 1rax n ASP 36 Ca -0.09 -3.37 0.04 0.00 -1.51 0.00 0.00 54.79 49.87 1rax n ASP 36 Cb 0.54 -1.28 0.06 0.00 2.34 0.00 0.00 41.12 42.78 1rax n ASP 36 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1rax h VAL 37 N 2.43 0.71 0.00 5.18 -1.51 -1.87 -3.46 116.25 117.73 1rax h VAL 37 Ca 0.63 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1rax h VAL 37 Cb 0.31 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1rax h VAL 37 CO 1.35 0.40 0.00 -0.67 -1.23 0.00 0.00 177.57 177.42 1rax n ASP 38 N -3.21 0.00 -3.53 4.19 2.03 -1.26 -4.96 116.55 109.80 1rax n ASP 38 Ca 0.02 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.13 1rax n ASP 38 Cb 0.69 -0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.95 1rax n ASP 38 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1rax s ASN 39 N -3.77 1.55 0.27 1.67 4.22 -1.26 -5.11 114.94 112.50 1rax s ASN 39 Ca 0.00 -0.27 0.00 0.00 -2.14 0.00 0.00 52.86 50.45 1rax s ASN 39 Cb 0.00 0.23 0.00 0.00 1.28 0.00 0.00 41.25 42.76 1rax s ASN 39 CO 0.00 -0.33 0.00 0.61 -2.04 0.00 0.00 177.10 175.34 1rax n GLY 40 N 5.31 -1.49 0.00 0.45 0.00 -1.26 -5.05 105.19 103.15 1rax n GLY 40 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1rax n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rax n ASN 41 N -4.33 0.00 0.00 1.61 0.23 -1.26 -4.82 115.26 106.69 1rax n ASN 41 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1rax n ASN 41 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1rax n ASN 41 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1rax n MET 42 N -0.03 0.01 -1.39 -3.83 1.56 -1.26 -5.15 117.12 107.02 1rax n MET 42 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1rax n MET 42 Cb 0.00 -0.52 0.00 0.00 2.15 0.00 0.00 33.22 34.85 1rax n MET 42 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 1rax n TYR 43 N -1.49 -2.53 -4.04 1.12 4.19 -1.26 -5.09 117.16 108.06 1rax n TYR 43 Ca 0.00 1.52 -0.11 0.00 3.31 0.00 0.00 57.90 62.62 1rax n TYR 43 Cb 0.02 -2.89 -0.11 0.00 0.49 0.00 0.00 39.34 36.85 1rax n TYR 43 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1rax s LYS 44 N -1.69 0.46 0.15 2.98 2.47 -0.28 -4.96 119.74 118.88 1rax s LYS 44 Ca 0.00 -0.77 0.03 0.00 -1.56 0.00 0.00 55.97 53.67 1rax s LYS 44 Cb 0.00 -0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.26 1rax s LYS 44 CO 0.00 -0.01 0.26 0.45 0.16 0.00 0.00 175.35 176.21 1rax s SER 45 N -1.73 6.20 0.14 1.43 0.15 -1.26 -0.65 113.70 117.97 1rax s SER 45 Ca -0.10 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.61 1rax s SER 45 Cb -0.08 -1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1rax s SER 45 CO -0.01 0.06 0.18 0.27 1.20 0.00 0.00 173.24 174.93 1rax s ILE 46 N -1.74 0.10 -0.25 6.45 -4.36 -0.76 -4.95 121.20 115.69 1rax s ILE 46 Ca 0.34 -1.55 -0.10 0.00 -0.26 0.00 0.00 60.65 59.07 1rax s ILE 46 Cb -0.11 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 1rax s ILE 46 CO 0.28 -0.45 0.16 -0.22 0.24 0.00 0.00 174.94 174.94 1rax s LEU 47 N -2.97 4.04 -0.20 0.37 1.98 -1.26 -1.96 118.68 118.68 1rax s LEU 47 Ca 0.17 0.06 -0.07 0.00 -2.89 0.00 0.00 54.13 51.40 1rax s LEU 47 Cb 0.05 -2.09 -0.04 0.00 0.66 0.00 0.00 46.19 44.77 1rax s LEU 47 CO -0.02 0.04 0.06 -0.69 -1.89 0.00 0.00 176.35 173.85 1rax s VAL 48 N 1.22 4.65 -0.08 1.68 1.01 0.27 -4.97 120.40 124.18 1rax s VAL 48 Ca 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1rax s VAL 48 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1rax s VAL 48 CO 0.06 0.43 0.10 0.42 0.00 0.00 0.00 175.10 176.11 1rax s THR 49 N 0.63 5.09 0.06 3.92 -4.23 -1.26 -1.13 115.64 118.73 1rax s THR 49 Ca 0.03 -0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.41 1rax s THR 49 Cb -0.13 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.48 1rax s THR 49 CO 0.02 0.54 0.49 -1.54 -0.54 0.00 0.00 174.62 173.59 1rax n SER 50 N 1.76 -0.30 0.00 3.99 3.41 -0.72 0.18 113.62 121.95 1rax n SER 50 Ca -0.17 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 1rax n SER 50 Cb 0.54 -0.09 0.60 0.00 -0.26 0.00 0.00 64.21 64.99 1rax n SER 50 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1rax n GLN 51 N -4.42 0.01 -1.47 4.33 -0.06 -1.26 -4.40 117.38 110.11 1rax n GLN 51 Ca 0.01 0.01 -0.56 0.00 -2.00 0.00 0.00 57.00 54.47 1rax n GLN 51 Cb 0.10 -1.51 -0.07 0.00 -4.06 0.00 0.00 30.24 24.70 1rax n GLN 51 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1rax n ASP 52 N -1.53 -0.31 -4.87 1.69 5.75 0.13 -4.83 116.55 112.58 1rax n ASP 52 Ca 0.07 1.15 -0.21 0.00 -0.01 0.00 0.00 54.79 55.79 1rax n ASP 52 Cb 0.34 -0.94 -0.03 0.00 -1.03 0.00 0.00 41.12 39.47 1rax n ASP 52 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1rax s LYS 53 N -0.28 2.71 0.18 0.11 1.02 -1.26 -3.03 119.74 119.19 1rax s LYS 53 Ca 0.83 -1.33 -0.24 0.00 0.02 0.00 0.00 55.97 55.25 1rax s LYS 53 Cb -1.17 -2.49 0.06 0.00 -0.52 0.00 0.00 37.83 33.72 1rax s LYS 53 CO 0.57 0.01 1.57 0.00 -0.92 0.00 0.00 175.35 176.58 1rax h ALA 54 N 1.15 -0.25 0.00 5.17 0.00 -1.66 -0.96 119.26 122.71 1rax h ALA 54 Ca -0.44 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rax h ALA 54 Cb 1.26 0.96 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1rax h ALA 54 CO 0.57 -0.79 0.00 -0.35 0.00 0.00 0.00 179.25 178.68 1rax n PRO 55 N -5.41 0.02 -0.08 0.00 -0.04 -1.26 -2.06 135.00 126.17 1rax n PRO 55 Ca 0.03 0.27 -0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1rax n PRO 55 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1rax n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rax h ALA 56 N 2.45 0.12 -0.81 0.55 0.00 -1.58 -3.11 119.26 116.88 1rax h ALA 56 Ca 0.00 -0.77 0.14 0.00 0.00 0.00 0.00 54.91 54.28 1rax h ALA 56 Cb 0.21 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1rax h ALA 56 CO 0.00 0.35 0.53 0.28 0.00 0.00 0.00 179.25 180.41 1rax h VAL 57 N -1.00 0.83 -0.25 0.00 2.07 -1.03 -0.17 116.25 116.71 1rax h VAL 57 Ca -0.15 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1rax h VAL 57 Cb 1.00 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1rax h VAL 57 CO -0.09 0.10 -0.28 0.40 0.02 0.00 0.00 177.57 177.72 1rax h ILE 58 N 0.56 1.27 -0.81 4.57 2.04 -1.54 0.32 117.51 123.92 1rax h ILE 58 Ca 0.40 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 1rax h ILE 58 Cb 0.74 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1rax h ILE 58 CO -0.15 0.42 0.36 -0.09 0.00 0.00 0.00 178.15 178.69 1rax h ARG 59 N 0.43 1.18 -0.11 2.37 2.43 -0.96 0.35 114.38 120.08 1rax h ARG 59 Ca 0.06 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1rax h ARG 59 Cb 0.72 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1rax h ARG 59 CO 0.06 0.93 -0.06 -0.22 -1.51 0.00 0.00 179.97 179.17 1rax h LYS 60 N 1.16 0.23 -0.32 0.20 1.63 -1.14 -2.28 116.57 116.06 1rax h LYS 60 Ca 0.27 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1rax h LYS 60 Cb 0.16 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1rax h LYS 60 CO -0.03 0.59 0.03 0.00 -3.45 0.00 0.00 179.45 176.59 1rax h ALA 61 N 0.63 1.46 0.08 5.00 0.00 -0.75 -1.98 119.26 123.71 1rax h ALA 61 Ca 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rax h ALA 61 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rax h ALA 61 CO 0.02 0.39 -0.04 0.52 0.00 0.00 0.00 179.25 180.13 1rax h MET 62 N 0.46 -0.11 -1.00 0.00 2.86 -0.26 -2.54 114.93 114.35 1rax h MET 62 Ca 0.10 0.01 0.24 0.00 -2.06 0.00 0.00 59.70 58.00 1rax h MET 62 Cb 0.26 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.86 1rax h MET 62 CO 0.00 0.42 0.65 0.22 1.06 0.00 0.00 176.91 179.26 1rax h ASP 63 N -0.74 0.45 -0.72 1.22 3.58 -1.34 0.25 116.42 119.12 1rax h ASP 63 Ca -0.01 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 1rax h ASP 63 Cb 0.58 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 1rax h ASP 63 CO 0.02 0.12 0.29 0.07 -2.88 0.00 0.00 179.24 176.86 1rax h LYS 64 N 0.41 1.08 -0.14 0.28 2.10 -1.25 -3.04 116.57 116.01 1rax h LYS 64 Ca 0.55 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1rax h LYS 64 Cb 1.38 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1rax h LYS 64 CO -0.26 0.89 0.00 0.72 -2.00 0.00 0.00 179.45 178.80 1rax n HIS 65 N -4.35 0.15 -3.37 0.07 8.25 0.17 -4.96 115.22 111.19 1rax n HIS 65 Ca 0.06 -0.08 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1rax n HIS 65 Cb 0.18 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.35 1rax n HIS 65 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1rax n ASN 66 N 1.16 -6.11 -2.04 0.41 4.13 0.64 -4.90 115.26 108.55 1rax n ASN 66 Ca 0.16 -0.44 -0.26 0.00 1.68 0.00 0.00 54.58 55.73 1rax n ASN 66 Cb 0.55 -4.80 0.06 0.00 -1.54 0.00 0.00 39.78 34.06 1rax n ASN 66 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rax n LEU 67 N -4.50 5.86 0.00 3.41 4.77 -0.92 -4.70 117.00 120.93 1rax n LEU 67 Ca -0.03 -4.46 0.06 0.00 -0.03 0.00 0.00 56.01 51.55 1rax n LEU 67 Cb 0.58 -0.61 0.27 0.00 -2.33 0.00 0.00 43.42 41.33 1rax n LEU 67 CO 0.56 1.77 0.65 -0.62 -1.33 0.00 0.00 177.39 178.43 1rax n GLU 68 N -0.84 0.10 -0.32 3.23 1.02 -1.26 -3.32 120.64 119.25 1rax n GLU 68 Ca 0.50 0.23 0.35 0.00 -0.02 0.00 0.00 57.16 58.22 1rax n GLU 68 Cb 0.87 -1.50 0.67 0.00 -0.02 0.00 0.00 31.44 31.46 1rax n GLU 68 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1rax h GLU 69 N 0.00 0.00 -4.97 3.49 -0.00 -1.98 -3.41 114.58 107.71 1rax h GLU 69 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.84 1rax h GLU 69 Cb 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 28.75 28.76 1rax h GLU 69 CO 0.00 0.00 -0.50 -1.21 -0.00 0.00 0.00 179.01 177.30 1rax s GLU 70 N -4.70 1.86 0.67 1.06 0.41 -1.21 -5.18 118.70 111.61 1rax s GLU 70 Ca -0.04 -2.11 -0.01 0.00 -0.41 0.00 0.00 54.97 52.39 1rax s GLU 70 Cb 0.20 -0.17 0.09 0.00 -1.78 0.00 0.00 34.13 32.47 1rax s GLU 70 CO 0.67 -0.57 0.94 -1.21 -0.49 0.00 0.00 175.26 174.60 1rax s GLU 71 N -3.59 1.97 0.27 1.61 2.02 -1.26 -5.02 118.70 114.71 1rax s GLU 71 Ca 0.31 -0.91 0.06 0.00 0.02 0.00 0.00 54.97 54.46 1rax s GLU 71 Cb 0.02 -2.35 0.38 0.00 0.10 0.00 0.00 34.13 32.28 1rax s GLU 71 CO 0.20 -1.22 1.64 -1.00 0.02 0.00 0.00 175.26 174.91 1rax h PRO 72 N -0.38 0.20 -0.27 0.39 0.13 -1.93 -2.96 132.00 127.18 1rax h PRO 72 Ca -0.39 -0.11 0.08 0.00 -0.87 0.00 0.00 66.00 64.70 1rax h PRO 72 Cb 1.28 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1rax h PRO 72 CO 0.46 0.66 0.35 0.93 -0.23 0.00 0.00 178.00 180.17 1rax h GLU 73 N 0.16 0.00 -0.96 0.86 4.39 -1.95 0.07 114.58 117.15 1rax h GLU 73 Ca 0.01 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1rax h GLU 73 Cb 0.95 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.47 1rax h GLU 73 CO 0.08 0.00 0.27 -3.47 -1.16 0.00 0.00 179.01 174.73 1rax n ASP 74 N -3.60 3.38 -3.77 1.42 -0.08 -1.12 -4.86 116.55 107.93 1rax n ASP 74 Ca 0.04 -2.75 -0.10 0.00 -1.51 0.00 0.00 54.79 50.47 1rax n ASP 74 Cb 0.49 -0.66 -0.06 0.00 2.34 0.00 0.00 41.12 43.23 1rax n ASP 74 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1rax s TYR 75 N -1.70 0.02 -0.07 -0.67 2.02 0.01 -2.00 117.35 114.96 1rax s TYR 75 Ca 0.28 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.54 1rax s TYR 75 Cb 0.24 0.14 0.02 0.00 -0.40 0.00 0.00 41.96 41.95 1rax s TYR 75 CO 0.06 -0.70 0.19 -1.83 -1.57 0.00 0.00 175.55 171.69 1rax s GLU 76 N -3.86 0.24 -0.21 -0.62 -1.05 0.12 -4.82 118.70 108.49 1rax s GLU 76 Ca 0.07 0.22 -0.11 0.00 -0.15 0.00 0.00 54.97 55.00 1rax s GLU 76 Cb 0.02 0.12 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 1rax s GLU 76 CO -0.08 -0.03 0.16 -1.17 0.95 0.00 0.00 175.26 175.09 1rax s LEU 77 N -0.01 4.17 -0.07 1.83 2.96 -1.26 -1.55 118.68 124.76 1rax s LEU 77 Ca -0.01 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1rax s LEU 77 Cb -0.02 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1rax s LEU 77 CO 0.00 0.12 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.26 1rax s LEU 78 N 0.67 1.71 -0.12 -0.68 2.01 -0.28 -1.31 118.68 120.67 1rax s LEU 78 Ca 0.09 -0.32 -0.04 0.00 0.01 0.00 0.00 54.13 53.87 1rax s LEU 78 Cb -0.12 -0.88 -0.03 0.00 0.01 0.00 0.00 46.19 45.17 1rax s LEU 78 CO 0.01 0.05 0.02 -1.58 1.01 0.00 0.00 176.35 175.86 1rax s GLN 79 N 0.58 3.36 -0.23 1.70 -0.44 0.02 0.01 119.66 124.65 1rax s GLN 79 Ca -0.14 -0.40 -0.12 0.00 -2.50 0.00 0.00 55.36 52.20 1rax s GLN 79 Cb -0.15 -2.93 -0.05 0.00 -1.64 0.00 0.00 33.01 28.24 1rax s GLN 79 CO 0.04 0.53 0.24 0.42 0.50 0.00 0.00 175.29 177.02 1rax s ILE 80 N -0.39 5.30 -0.19 -2.34 1.01 -0.22 -0.34 121.20 124.04 1rax s ILE 80 Ca 0.08 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1rax s ILE 80 Cb -0.12 -3.58 -0.13 0.00 0.01 0.00 0.00 42.46 38.64 1rax s ILE 80 CO 0.02 0.30 -0.16 0.00 0.00 0.00 0.00 174.94 175.10 1rax n LEU 81 N 4.46 2.89 -3.63 2.97 -0.00 -0.55 -4.33 117.00 118.82 1rax n LEU 81 Ca -0.13 -0.10 -0.05 0.00 -0.00 0.00 0.00 56.01 55.73 1rax n LEU 81 Cb 0.52 -0.64 -0.05 0.00 -0.00 0.00 0.00 43.42 43.24 1rax n LEU 81 CO 0.36 0.81 1.02 -0.94 -0.00 0.00 0.00 177.39 178.64 1rax s SER 82 N -5.83 -0.17 -1.08 1.45 1.04 -1.25 -4.43 113.70 103.44 1rax s SER 82 Ca -0.25 0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 1rax s SER 82 Cb 0.07 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1rax s SER 82 CO 0.45 -0.12 0.14 0.47 0.98 0.00 0.00 173.24 175.16 1rax n ASP 83 N 0.98 -3.79 0.00 7.02 8.00 -1.26 -0.95 116.55 126.55 1rax n ASP 83 Ca -0.06 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1rax n ASP 83 Cb 0.58 -3.20 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 1rax n ASP 83 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rax n ASP 84 N -1.94 0.00 -4.62 -2.24 2.03 -1.26 -4.94 116.55 103.58 1rax n ASP 84 Ca -0.11 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.76 1rax n ASP 84 Cb 0.59 -0.59 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1rax n ASP 84 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1rax n ARG 85 N -2.00 2.25 -4.44 -0.67 0.63 -0.13 -4.91 116.66 107.39 1rax n ARG 85 Ca 0.00 0.74 -0.35 0.00 -0.92 0.00 0.00 57.85 57.33 1rax n ARG 85 Cb 0.00 -2.99 -0.10 0.00 0.45 0.00 0.00 32.46 29.82 1rax n ARG 85 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1rax s LYS 86 N 5.29 2.94 0.18 -0.14 1.02 -1.26 -1.48 119.74 126.29 1rax s LYS 86 Ca 0.96 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 56.57 1rax s LYS 86 Cb -0.48 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1rax s LYS 86 CO 0.42 0.68 0.09 -0.51 -0.92 0.00 0.00 175.35 175.11 1rax s LEU 87 N -0.84 3.62 -0.12 3.17 1.43 0.54 -4.89 118.68 121.59 1rax s LEU 87 Ca 0.13 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1rax s LEU 87 Cb -0.11 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1rax s LEU 87 CO 0.02 0.07 -0.01 -0.75 0.23 0.00 0.00 176.35 175.90 1rax s LYS 88 N -3.13 3.32 -0.17 1.70 2.20 -1.26 -0.80 119.74 121.60 1rax s LYS 88 Ca 0.30 -0.46 -0.07 0.00 -0.36 0.00 0.00 55.97 55.39 1rax s LYS 88 Cb -0.09 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1rax s LYS 88 CO 0.22 0.49 0.05 0.42 -0.36 0.00 0.00 175.35 176.17 1rax s ILE 89 N -0.29 4.70 0.91 5.43 1.01 -0.43 -4.97 121.20 127.56 1rax s ILE 89 Ca 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1rax s ILE 89 Cb -0.12 -3.10 0.14 0.00 0.01 0.00 0.00 42.46 39.38 1rax s ILE 89 CO 0.02 0.48 1.10 -2.16 0.00 0.00 0.00 174.94 174.38 1rax s PRO 90 N 0.23 1.17 0.48 2.79 0.04 -1.26 -4.53 135.00 133.92 1rax s PRO 90 Ca 0.03 0.57 0.28 0.00 0.04 0.00 0.00 61.00 61.93 1rax s PRO 90 Cb -0.12 -1.82 1.54 0.00 0.04 0.00 0.00 34.50 34.14 1rax s PRO 90 CO 0.01 -2.24 1.85 1.49 0.04 0.00 0.00 177.00 178.15 1rax h GLU 91 N -1.54 0.00 0.00 4.56 4.81 -1.98 -2.94 114.58 117.48 1rax h GLU 91 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1rax h GLU 91 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1rax h GLU 91 CO 0.58 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 177.15 1rax n ASN 92 N -2.57 0.30 -4.60 1.04 4.05 -1.26 -3.15 115.26 109.07 1rax n ASN 92 Ca -0.02 -1.02 -0.44 0.00 0.45 0.00 0.00 54.58 53.56 1rax n ASN 92 Cb 0.15 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.13 1rax n ASN 92 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rax n ALA 93 N -0.01 1.68 -1.50 5.20 0.00 -1.11 -4.76 120.51 120.00 1rax n ALA 93 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1rax n ALA 93 Cb 0.19 -2.84 -0.07 0.00 0.00 0.00 0.00 19.45 16.73 1rax n ALA 93 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rax n ASN 94 N 10.69 1.92 -0.16 0.00 4.13 -1.26 -4.00 115.26 126.58 1rax n ASN 94 Ca 0.29 0.04 0.18 0.00 1.68 0.00 0.00 54.58 56.76 1rax n ASN 94 Cb 0.42 -1.33 0.54 0.00 -1.54 0.00 0.00 39.78 37.87 1rax n ASN 94 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1rax h VAL 95 N 7.48 0.75 -0.99 2.41 2.07 -1.74 0.33 116.25 126.56 1rax h VAL 95 Ca -0.23 -0.12 0.26 0.00 0.82 0.00 0.00 66.70 67.44 1rax h VAL 95 Cb 1.30 0.38 -0.13 0.00 -1.52 0.00 0.00 31.29 31.31 1rax h VAL 95 CO 1.13 0.06 0.56 0.15 0.02 0.00 0.00 177.57 179.49 1rax h PHE 96 N 0.34 0.93 -0.03 1.57 3.04 -1.81 -3.05 116.94 117.93 1rax h PHE 96 Ca 0.38 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1rax h PHE 96 Cb 0.99 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1rax h PHE 96 CO -0.00 -0.02 0.00 0.66 -2.02 0.00 0.00 178.31 176.93 1rax n TYR 97 N -4.96 0.04 -0.71 0.41 4.02 0.94 -4.71 117.16 112.20 1rax n TYR 97 Ca 0.28 -0.13 0.08 0.00 -0.01 0.00 0.00 57.90 58.11 1rax n TYR 97 Cb 0.80 -0.01 0.31 0.00 -0.02 0.00 0.00 39.34 40.41 1rax n TYR 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rax n ALA 98 N 0.10 3.05 -2.94 -0.72 0.00 0.05 -4.93 120.51 115.12 1rax n ALA 98 Ca 0.02 -1.78 -0.24 0.00 0.00 0.00 0.00 53.44 51.44 1rax n ALA 98 Cb 0.15 -0.86 -0.16 0.00 0.00 0.00 0.00 19.45 18.58 1rax n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rax s MET 99 N -2.14 1.49 -0.79 0.00 0.00 -1.26 -4.90 119.30 111.70 1rax s MET 99 Ca 0.45 -0.50 -0.33 0.00 0.00 0.00 0.00 55.69 55.31 1rax s MET 99 Cb 0.32 -1.32 -0.19 0.00 0.00 0.00 0.00 34.83 33.64 1rax s MET 99 CO 0.17 0.20 2.52 0.09 0.00 0.00 0.00 175.02 178.00 1rax n ASN 100 N 3.19 0.79 0.00 -1.18 4.13 -1.26 -4.78 115.26 116.14 1rax n ASN 100 Ca -0.18 0.20 -0.12 0.00 1.68 0.00 0.00 54.58 56.16 1rax n ASN 100 Cb 0.53 -1.03 0.01 0.00 -1.54 0.00 0.00 39.78 37.75 1rax n ASN 100 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1rax h SER 101 N 12.48 0.69 0.00 6.41 0.87 -1.94 -2.93 113.55 129.13 1rax h SER 101 Ca -0.10 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1rax h SER 101 Cb 1.33 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1rax h SER 101 CO 1.27 1.17 0.00 1.07 -0.53 0.00 0.00 176.83 179.81 1rax n THR 102 N -3.92 0.00 0.00 2.23 5.66 -1.26 -4.57 114.28 112.42 1rax n THR 102 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1rax n THR 102 Cb 0.67 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 1rax n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rax n ALA 103 N -0.85 0.00 -2.47 1.79 0.00 -1.10 -5.15 120.51 112.73 1rax n ALA 103 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 1rax n ALA 103 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 1rax n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1rax s ASN 104 N 0.22 0.58 -0.88 0.00 2.47 -1.25 -5.08 114.94 111.00 1rax s ASN 104 Ca 0.00 -1.42 0.00 0.00 0.42 0.00 0.00 52.86 51.86 1rax s ASN 104 Cb 0.00 0.49 0.34 0.00 -1.45 0.00 0.00 41.25 40.63 1rax s ASN 104 CO 0.00 -1.00 1.68 -1.22 -3.72 0.00 0.00 177.10 172.84 1rax n TYR 105 N -0.41 3.07 -5.03 0.43 4.02 -1.26 -4.83 117.16 113.15 1rax n TYR 105 Ca 0.03 -2.78 -0.32 0.00 -0.01 0.00 0.00 57.90 54.82 1rax n TYR 105 Cb 0.64 -1.01 -0.14 0.00 -0.02 0.00 0.00 39.34 38.81 1rax n TYR 105 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1rax s ASP 106 N -1.78 3.64 -0.00 7.72 1.01 -1.26 -1.35 116.67 124.65 1rax s ASP 106 Ca 0.44 -0.32 -0.04 0.00 0.71 0.00 0.00 52.55 53.35 1rax s ASP 106 Cb 0.27 -0.64 -0.00 0.00 1.01 0.00 0.00 42.92 43.56 1rax s ASP 106 CO -0.20 0.33 0.07 -0.36 0.21 0.00 0.00 175.17 175.22 1rax s PHE 107 N -0.70 0.06 -0.02 4.23 0.40 0.15 -1.05 117.98 121.05 1rax s PHE 107 Ca 0.11 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.37 1rax s PHE 107 Cb -0.10 -0.07 -0.01 0.00 0.51 0.00 0.00 43.02 43.35 1rax s PHE 107 CO 0.00 -0.18 -0.20 0.08 0.70 0.00 0.00 175.22 175.62 1rax s VAL 108 N -0.95 1.60 -0.31 -0.44 1.01 0.10 -1.36 120.40 120.06 1rax s VAL 108 Ca -0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1rax s VAL 108 Cb -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1rax s VAL 108 CO 0.00 0.45 0.10 -0.22 0.00 0.00 0.00 175.10 175.43 1rax s LEU 109 N -0.41 3.98 0.01 3.92 2.96 0.32 -1.13 118.68 128.33 1rax s LEU 109 Ca 0.06 -0.75 0.07 0.00 -0.22 0.00 0.00 54.13 53.29 1rax s LEU 109 Cb -0.08 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1rax s LEU 109 CO -0.00 -0.22 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.06 1rax s LYS 110 N 1.51 2.10 0.23 1.98 1.02 -0.60 -1.69 119.74 124.29 1rax s LYS 110 Ca 0.02 -0.95 -0.11 0.00 0.02 0.00 0.00 55.97 54.96 1rax s LYS 110 Cb -0.18 -2.15 -0.07 0.00 -0.52 0.00 0.00 37.83 34.92 1rax s LYS 110 CO 0.03 0.55 0.57 0.21 -0.92 0.00 0.00 175.35 175.80 1rax s LYS 111 N -1.10 3.85 -0.28 1.68 2.20 -1.26 0.14 119.74 124.97 1rax s LYS 111 Ca 0.12 0.35 -0.04 0.00 -0.36 0.00 0.00 55.97 56.05 1rax s LYS 111 Cb -0.10 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1rax s LYS 111 CO 0.02 0.31 2.87 -2.13 -0.36 0.00 0.00 175.35 176.07 1rax n ARG 112 N -0.06 2.12 -0.54 4.03 0.63 -0.85 -4.90 116.66 117.11 1rax n ARG 112 Ca 0.00 -1.72 -0.30 0.00 -0.92 0.00 0.00 57.85 54.92 1rax n ARG 112 Cb 0.52 -1.97 0.23 0.00 0.45 0.00 0.00 32.46 31.70 1rax n ARG 112 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1rax n THR 113 N 1.30 0.00 -3.53 5.15 5.66 -1.26 -5.01 114.28 116.60 1rax n THR 113 Ca 0.42 -0.39 -0.22 0.00 -3.05 0.00 0.00 64.05 60.81 1rax n THR 113 Cb 0.66 -0.89 -0.14 0.00 -1.55 0.00 0.00 70.33 68.40 1rax n THR 113 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rax s PHE 114 N -2.37 -0.06 -2.00 1.09 -0.71 -1.26 -5.21 117.98 107.46 1rax s PHE 114 Ca 0.65 -0.13 0.13 0.00 -1.04 0.00 0.00 56.93 56.54 1rax s PHE 114 Cb -0.22 -0.55 0.77 0.00 -1.21 0.00 0.00 43.02 41.81 1rax s PHE 114 CO 0.65 -0.63 1.20 2.41 -1.34 0.00 0.00 175.22 177.51