#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rax s GLN 24 N 0.00 2.34 0.46 -1.09 -0.21 -1.26 -5.06 119.66 114.83 1rax s GLN 24 Ca 0.00 -1.64 -0.21 0.00 0.02 0.00 0.00 55.36 53.53 1rax s GLN 24 Cb 0.00 -2.63 -0.12 0.00 1.00 0.00 0.00 33.01 31.26 1rax s GLN 24 CO 0.00 -0.81 0.42 0.28 -2.12 0.00 0.00 175.29 173.06 1rax n VAL 25 N -2.20 1.56 0.00 1.09 0.31 -1.26 -4.08 118.33 113.75 1rax n VAL 25 Ca 0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1rax n VAL 25 Cb 0.62 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1rax n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rax n GLY 26 N 1.92 2.61 3.15 2.92 0.00 -1.26 -4.62 105.19 109.90 1rax n GLY 26 Ca 0.11 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.84 1rax n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rax s ASP 27 N -4.00 -0.71 0.05 1.61 1.01 -1.26 -5.12 116.67 108.25 1rax s ASP 27 Ca 0.00 0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.42 1rax s ASP 27 Cb 0.00 1.49 -0.02 0.00 1.01 0.00 0.00 42.92 45.40 1rax s ASP 27 CO 0.00 -0.13 0.05 0.00 0.21 0.00 0.00 175.17 175.29 1rax s ILE 30 N -2.42 5.29 0.22 0.00 1.01 -1.26 -0.45 121.20 123.58 1rax s ILE 30 Ca -0.06 0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.84 1rax s ILE 30 Cb -0.02 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1rax s ILE 30 CO -0.03 0.39 -0.16 0.27 0.00 0.00 0.00 174.94 175.40 1rax s ILE 31 N 0.75 2.75 -0.11 2.92 -4.36 -0.26 -4.93 121.20 117.95 1rax s ILE 31 Ca 0.07 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1rax s ILE 31 Cb -0.13 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 1rax s ILE 31 CO 0.02 -0.22 -0.09 -0.60 0.24 0.00 0.00 174.94 174.29 1rax s ARG 32 N -3.05 3.20 -0.12 0.37 3.52 -0.61 -1.83 118.95 120.42 1rax s ARG 32 Ca 0.26 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 1rax s ARG 32 Cb -0.07 -2.68 0.04 0.00 -1.56 0.00 0.00 34.95 30.68 1rax s ARG 32 CO 0.14 0.40 -0.00 0.08 -0.81 0.00 0.00 175.30 175.10 1rax s VAL 33 N -0.10 0.56 0.33 7.11 1.01 0.32 0.24 120.40 129.88 1rax s VAL 33 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1rax s VAL 33 Cb -0.13 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1rax s VAL 33 CO 0.03 0.13 0.48 -0.94 0.00 0.00 0.00 175.10 174.80 1rax s SER 34 N 1.88 6.12 0.09 3.32 1.04 -0.52 -1.07 113.70 124.55 1rax s SER 34 Ca 0.03 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1rax s SER 34 Cb -0.14 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 1rax s SER 34 CO -0.07 -0.34 0.20 -0.76 0.98 0.00 0.00 173.24 173.26 1rax s LEU 35 N -4.20 4.22 -1.16 2.42 1.43 -1.26 -0.03 118.68 120.09 1rax s LEU 35 Ca 0.41 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1rax s LEU 35 Cb -0.09 -2.82 0.23 0.00 0.03 0.00 0.00 46.19 43.54 1rax s LEU 35 CO 0.32 0.13 2.04 -0.67 0.23 0.00 0.00 176.35 178.40 1rax n ASP 36 N 0.06 7.53 -0.09 2.29 2.03 -0.05 -4.41 116.55 123.91 1rax n ASP 36 Ca -0.06 -3.44 0.02 0.00 0.52 0.00 0.00 54.79 51.83 1rax n ASP 36 Cb 0.52 -1.26 0.03 0.00 -0.72 0.00 0.00 41.12 39.69 1rax n ASP 36 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1rax n VAL 37 N 0.82 0.80 -4.28 5.18 3.14 -1.26 -4.78 118.33 117.94 1rax n VAL 37 Ca 0.52 -0.88 -0.32 0.00 -2.96 0.00 0.00 64.34 60.70 1rax n VAL 37 Cb 0.26 0.46 -0.09 0.00 -1.06 0.00 0.00 33.84 33.41 1rax n VAL 37 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1rax n ASP 38 N -0.51 0.57 -3.40 6.55 8.00 -1.26 -4.90 116.55 121.60 1rax n ASP 38 Ca 0.04 -1.23 -0.17 0.00 0.71 0.00 0.00 54.79 54.13 1rax n ASP 38 Cb 0.47 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 39.93 1rax n ASP 38 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1rax s ASN 39 N -4.19 1.67 0.00 -2.24 2.47 -1.26 -5.07 114.94 106.32 1rax s ASN 39 Ca 0.11 -0.77 0.00 0.00 0.42 0.00 0.00 52.86 52.62 1rax s ASN 39 Cb -0.06 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.25 1rax s ASN 39 CO 0.97 -0.39 0.00 0.61 -3.72 0.00 0.00 177.10 174.57 1rax n GLY 40 N 5.29 0.56 1.10 1.21 0.00 -1.26 -4.85 105.19 107.23 1rax n GLY 40 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1rax n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rax n ASN 41 N 1.79 -6.17 -0.47 1.61 3.02 -1.26 -4.88 115.26 108.90 1rax n ASN 41 Ca 0.00 0.96 0.05 0.00 -0.03 0.00 0.00 54.58 55.56 1rax n ASN 41 Cb 0.00 -3.07 0.10 0.00 -0.61 0.00 0.00 39.78 36.20 1rax n ASN 41 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rax n MET 42 N -1.24 2.04 -1.48 3.52 2.81 -1.26 -5.09 117.12 116.42 1rax n MET 42 Ca 0.00 -1.65 0.00 0.00 -1.81 0.00 0.00 57.70 54.24 1rax n MET 42 Cb 0.08 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1rax n MET 42 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1rax n TYR 43 N 0.39 -3.08 -3.89 2.03 4.01 -1.26 -5.02 117.16 110.33 1rax n TYR 43 Ca 0.08 1.86 -0.21 0.00 -0.16 0.00 0.00 57.90 59.47 1rax n TYR 43 Cb 0.34 -3.06 -0.03 0.00 -0.31 0.00 0.00 39.34 36.29 1rax n TYR 43 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1rax s LYS 44 N -1.54 3.06 0.01 -0.72 -0.14 -0.24 -4.93 119.74 115.24 1rax s LYS 44 Ca 0.00 -1.01 0.04 0.00 -1.36 0.00 0.00 55.97 53.63 1rax s LYS 44 Cb 0.00 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.45 1rax s LYS 44 CO 0.00 0.28 -0.12 0.45 -0.76 0.00 0.00 175.35 175.20 1rax s SER 45 N -3.97 1.47 0.10 2.83 0.15 -1.26 -0.52 113.70 112.49 1rax s SER 45 Ca 0.37 -0.29 -0.19 0.00 0.70 0.00 0.00 55.95 56.54 1rax s SER 45 Cb -0.08 -0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.14 1rax s SER 45 CO 0.28 0.11 0.47 0.27 1.20 0.00 0.00 173.24 175.56 1rax s ILE 46 N -0.46 0.05 -0.14 6.45 -4.36 -0.76 -4.96 121.20 117.01 1rax s ILE 46 Ca 0.03 -0.38 -0.07 0.00 -0.26 0.00 0.00 60.65 59.98 1rax s ILE 46 Cb -0.06 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 1rax s ILE 46 CO 0.00 -0.21 0.09 -0.22 0.24 0.00 0.00 174.94 174.84 1rax s LEU 47 N -2.49 4.03 -0.12 0.37 2.96 -1.26 -1.10 118.68 121.06 1rax s LEU 47 Ca -0.00 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 1rax s LEU 47 Cb 0.00 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1rax s LEU 47 CO -0.08 0.30 0.03 0.54 -1.32 0.00 0.00 176.35 175.81 1rax s VAL 48 N -0.37 4.55 0.10 1.68 0.11 0.40 -4.96 120.40 121.91 1rax s VAL 48 Ca 0.10 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1rax s VAL 48 Cb -0.12 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.73 1rax s VAL 48 CO 0.02 0.57 0.05 0.42 -3.33 0.00 0.00 175.10 172.82 1rax s THR 49 N -0.51 4.27 0.13 5.04 -4.23 -1.26 -1.36 115.64 117.72 1rax s THR 49 Ca 0.10 -0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 59.43 1rax s THR 49 Cb -0.12 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 1rax s THR 49 CO 0.02 0.09 1.25 -1.54 -0.54 0.00 0.00 174.62 173.90 1rax n SER 50 N 0.40 -0.86 0.00 3.99 3.41 -0.89 -0.78 113.62 118.89 1rax n SER 50 Ca -0.09 1.45 0.14 0.00 -0.26 0.00 0.00 58.87 60.10 1rax n SER 50 Cb 0.52 -0.19 0.66 0.00 -0.26 0.00 0.00 64.21 64.94 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 -5.02 0.16 -1.50 4.33 7.27 -1.26 -4.27 117.38 117.10 1rax n GLN 51 Ca 0.02 0.01 -0.43 0.00 0.07 0.00 0.00 57.00 56.67 1rax n GLN 51 Cb 0.21 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.36 1rax n GLN 51 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1rax n ASP 52 N -1.42 -0.19 -4.59 1.69 -0.08 0.04 -4.85 116.55 107.16 1rax n ASP 52 Ca 0.10 1.00 -0.23 0.00 -1.51 0.00 0.00 54.79 54.14 1rax n ASP 52 Cb 0.29 -1.17 -0.08 0.00 2.34 0.00 0.00 41.12 42.50 1rax n ASP 52 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1rax s LYS 53 N -1.60 2.11 0.18 -0.67 -2.85 -1.26 -3.19 119.74 112.46 1rax s LYS 53 Ca 0.63 -1.51 -0.27 0.00 -1.00 0.00 0.00 55.97 53.82 1rax s LYS 53 Cb -0.64 -2.05 0.03 0.00 -2.06 0.00 0.00 37.83 33.11 1rax s LYS 53 CO 0.58 0.36 1.55 0.00 0.10 0.00 0.00 175.35 177.93 1rax h ALA 54 N 2.03 -0.33 0.00 0.59 0.00 -1.69 0.19 119.26 120.05 1rax h ALA 54 Ca -0.43 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1rax h ALA 54 Cb 1.25 1.21 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1rax h ALA 54 CO 0.60 -0.86 0.00 -0.35 0.00 0.00 0.00 179.25 178.64 1rax n PRO 55 N -5.34 0.03 -0.08 0.00 -0.04 -1.26 -2.11 135.00 126.19 1rax n PRO 55 Ca 0.04 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.74 1rax n PRO 55 Cb 0.32 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.27 0.11 -0.96 0.55 0.00 -1.34 -2.75 119.26 117.13 1rax h ALA 56 Ca 0.00 -0.73 0.21 0.00 0.00 0.00 0.00 54.91 54.38 1rax h ALA 56 Cb 0.15 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1rax h ALA 56 CO 0.00 0.35 0.62 0.28 0.00 0.00 0.00 179.25 180.50 1rax h VAL 57 N -1.00 0.66 -0.26 0.00 2.07 -1.13 0.55 116.25 117.14 1rax h VAL 57 Ca -0.14 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.07 1rax h VAL 57 Cb 0.95 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1rax h VAL 57 CO -0.09 0.09 -0.40 0.40 0.02 0.00 0.00 177.57 177.59 1rax h ILE 58 N 0.51 1.30 -0.84 4.57 2.04 -1.53 -0.89 117.51 122.66 1rax h ILE 58 Ca 0.52 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.85 1rax h ILE 58 Cb 1.15 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.71 1rax h ILE 58 CO -0.25 0.50 0.55 -0.09 0.00 0.00 0.00 178.15 178.86 1rax h ARG 59 N 0.51 0.96 -0.00 2.37 2.43 -0.58 0.30 114.38 120.35 1rax h ARG 59 Ca 0.04 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1rax h ARG 59 Cb 0.92 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1rax h ARG 59 CO 0.08 0.63 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.95 1rax h LYS 60 N 0.99 0.01 -0.26 0.20 3.64 -1.20 -2.29 116.57 117.66 1rax h LYS 60 Ca 0.35 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1rax h LYS 60 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1rax h LYS 60 CO -0.11 0.62 0.18 0.00 -2.27 0.00 0.00 179.45 177.86 1rax h ALA 61 N 0.39 1.86 0.05 5.00 0.00 -0.89 -1.97 119.26 123.70 1rax h ALA 61 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rax h ALA 61 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rax h ALA 61 CO 0.00 0.12 -0.02 0.52 0.00 0.00 0.00 179.25 179.87 1rax h MET 62 N 0.32 -0.06 -1.04 0.00 2.86 -0.44 -2.14 114.93 114.42 1rax h MET 62 Ca 0.10 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 58.01 1rax h MET 62 Cb 0.02 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.59 1rax h MET 62 CO -0.02 0.56 0.65 0.22 1.06 0.00 0.00 176.91 179.38 1rax h ASP 63 N -0.89 0.51 -0.59 1.22 1.82 -1.31 0.38 116.42 117.56 1rax h ASP 63 Ca -0.01 0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.66 1rax h ASP 63 Cb 0.65 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 1rax h ASP 63 CO 0.01 0.08 0.08 0.11 -1.61 0.00 0.00 179.24 177.91 1rax h LYS 64 N 0.44 0.98 -0.01 0.28 6.56 -1.33 -2.97 116.57 120.51 1rax h LYS 64 Ca 0.62 -0.27 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 1rax h LYS 64 Cb 1.47 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 1rax h LYS 64 CO -0.36 0.94 -0.13 0.72 -2.06 0.00 0.00 179.45 178.56 1rax n HIS 65 N -4.30 0.00 -3.13 -1.35 8.25 0.37 -4.95 115.22 110.11 1rax n HIS 65 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 1rax n HIS 65 Cb 0.28 -0.07 0.03 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 -0.34 -5.63 -2.53 0.41 5.03 0.10 -4.89 115.26 107.41 1rax n ASN 66 Ca 0.15 -0.32 -0.31 0.00 0.87 0.00 0.00 54.58 54.97 1rax n ASN 66 Cb 0.34 -4.56 0.02 0.00 -1.02 0.00 0.00 39.78 34.56 1rax n ASN 66 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1rax n LEU 67 N -4.03 5.91 0.00 3.41 4.77 -1.06 -4.72 117.00 121.28 1rax n LEU 67 Ca -0.09 -4.94 0.08 0.00 -0.03 0.00 0.00 56.01 51.03 1rax n LEU 67 Cb 0.60 -0.68 0.38 0.00 -2.33 0.00 0.00 43.42 41.39 1rax n LEU 67 CO 0.49 2.00 0.72 -0.62 -1.33 0.00 0.00 177.39 178.66 1rax n GLU 68 N -0.58 0.17 -0.62 3.23 -0.58 -1.26 -3.47 120.64 117.54 1rax n GLU 68 Ca 0.47 0.16 0.49 0.00 -0.42 0.00 0.00 57.16 57.86 1rax n GLU 68 Cb 0.57 -1.50 0.81 0.00 -0.57 0.00 0.00 31.44 30.75 1rax n GLU 68 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1rax h GLU 69 N 0.00 0.00 -5.00 3.49 4.11 -1.99 -3.41 114.58 111.78 1rax h GLU 69 Ca 0.00 -0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.94 1rax h GLU 69 Cb 0.18 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.29 1rax h GLU 69 CO 0.00 0.00 -0.55 -1.21 0.07 0.00 0.00 179.01 177.33 1rax s GLU 70 N -4.89 1.75 0.77 1.06 2.02 -1.23 -5.17 118.70 113.01 1rax s GLU 70 Ca -0.05 -2.03 -0.07 0.00 0.02 0.00 0.00 54.97 52.84 1rax s GLU 70 Cb 0.26 -0.43 0.12 0.00 0.10 0.00 0.00 34.13 34.18 1rax s GLU 70 CO 0.88 -0.43 1.08 -1.21 0.02 0.00 0.00 175.26 175.60 1rax s GLU 71 N -3.77 1.64 0.17 1.61 2.02 -1.26 -5.00 118.70 114.10 1rax s GLU 71 Ca 0.31 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.65 1rax s GLU 71 Cb 0.04 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 32.16 1rax s GLU 71 CO 0.16 -1.59 1.46 -1.00 0.02 0.00 0.00 175.26 174.32 1rax h PRO 72 N -0.82 0.65 0.00 0.39 0.13 -1.94 -2.97 132.00 127.44 1rax h PRO 72 Ca -0.42 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1rax h PRO 72 Cb 1.28 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1rax h PRO 72 CO 0.48 1.04 0.00 1.05 -0.23 0.00 0.00 178.00 180.34 1rax h GLU 73 N 0.49 0.00 -1.03 0.86 4.11 -1.95 -2.56 114.58 114.51 1rax h GLU 73 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.08 1rax h GLU 73 Cb 1.14 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.18 1rax h GLU 73 CO 0.11 0.00 0.46 -3.47 0.07 0.00 0.00 179.01 176.18 1rax n ASP 74 N -2.61 3.77 -3.72 3.06 2.03 -1.12 -4.84 116.55 113.12 1rax n ASP 74 Ca -0.02 -3.11 -0.12 0.00 0.52 0.00 0.00 54.79 52.07 1rax n ASP 74 Cb 0.07 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.61 1rax n ASP 74 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1rax s TYR 75 N -2.25 -0.51 0.04 -0.67 2.02 -0.97 -1.37 117.35 113.64 1rax s TYR 75 Ca 0.39 1.16 -0.19 0.00 -0.37 0.00 0.00 57.07 58.05 1rax s TYR 75 Cb 0.33 0.20 -0.06 0.00 -0.40 0.00 0.00 41.96 42.03 1rax s TYR 75 CO 0.07 -0.28 0.57 -1.21 -1.57 0.00 0.00 175.55 173.12 1rax s GLU 76 N 0.90 4.22 -0.25 -0.62 0.41 0.15 -4.88 118.70 118.64 1rax s GLU 76 Ca -0.06 0.71 -0.09 0.00 -0.41 0.00 0.00 54.97 55.13 1rax s GLU 76 Cb -0.06 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 28.98 1rax s GLU 76 CO -0.07 0.56 0.12 -1.17 -0.49 0.00 0.00 175.26 174.21 1rax s LEU 77 N -0.82 3.78 -0.02 1.80 2.96 -1.26 -1.59 118.68 123.53 1rax s LEU 77 Ca 0.29 -0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.20 1rax s LEU 77 Cb -0.19 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1rax s LEU 77 CO 0.18 0.00 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.26 1rax s LEU 78 N 1.43 2.03 -0.07 -0.68 2.01 -0.54 -0.97 118.68 121.87 1rax s LEU 78 Ca 0.06 -0.35 -0.01 0.00 0.01 0.00 0.00 54.13 53.84 1rax s LEU 78 Cb -0.15 -1.00 -0.03 0.00 0.01 0.00 0.00 46.19 45.02 1rax s LEU 78 CO 0.06 0.23 -0.03 -1.58 1.01 0.00 0.00 176.35 176.04 1rax s GLN 79 N -0.40 2.87 -0.22 1.70 0.74 -0.22 -0.22 119.66 123.91 1rax s GLN 79 Ca 0.06 -0.47 -0.08 0.00 0.05 0.00 0.00 55.36 54.92 1rax s GLN 79 Cb -0.08 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 1rax s GLN 79 CO -0.00 0.68 0.08 0.42 -0.55 0.00 0.00 175.29 175.92 1rax s ILE 80 N -0.86 4.68 -0.23 -2.34 1.01 -0.24 -0.22 121.20 123.00 1rax s ILE 80 Ca 0.13 -0.06 0.13 0.00 0.00 0.00 0.00 60.65 60.85 1rax s ILE 80 Cb -0.11 -3.16 -0.18 0.00 0.01 0.00 0.00 42.46 39.02 1rax s ILE 80 CO 0.02 0.38 0.38 0.18 0.00 0.00 0.00 174.94 175.91 1rax n LEU 81 N 4.29 0.21 -3.79 2.97 7.99 -0.43 -4.28 117.00 123.96 1rax n LEU 81 Ca -0.16 -0.17 -0.08 0.00 -0.01 0.00 0.00 56.01 55.59 1rax n LEU 81 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 1rax n LEU 81 CO 0.33 0.05 0.46 -0.44 -1.51 0.00 0.00 177.39 176.28 1rax s SER 82 N -3.08 -0.31 0.55 -1.43 0.01 -0.97 -4.84 113.70 103.62 1rax s SER 82 Ca -0.01 -0.52 0.35 0.00 1.31 0.00 0.00 55.95 57.07 1rax s SER 82 Cb 0.09 0.71 1.52 0.00 0.21 0.00 0.00 66.02 68.55 1rax s SER 82 CO 0.55 -1.29 1.83 -2.24 0.41 0.00 0.00 173.24 172.49 1rax h ASP 83 N 2.00 0.00 0.00 2.44 3.04 -2.04 -2.84 116.42 119.03 1rax h ASP 83 Ca -0.21 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 1rax h ASP 83 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1rax h ASP 83 CO 0.25 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 177.92 1rax n ASP 84 N -4.17 0.08 -4.59 4.15 8.00 -1.26 -5.03 116.55 113.73 1rax n ASP 84 Ca 0.23 -0.38 -0.39 0.00 0.71 0.00 0.00 54.79 54.96 1rax n ASP 84 Cb 1.15 0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 42.62 1rax n ASP 84 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1rax s ARG 85 N -0.46 3.92 0.08 -1.24 3.00 -1.07 -5.06 118.95 118.12 1rax s ARG 85 Ca 0.00 -0.11 0.06 0.00 -1.00 0.00 0.00 55.73 54.68 1rax s ARG 85 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 34.95 31.23 1rax s ARG 85 CO 0.00 -0.31 -0.17 0.15 0.00 0.00 0.00 175.30 174.97 1rax s LYS 86 N 2.00 0.98 0.28 5.12 1.02 -1.26 -1.31 119.74 126.57 1rax s LYS 86 Ca 0.13 -1.01 0.09 0.00 0.02 0.00 0.00 55.97 55.19 1rax s LYS 86 Cb -0.16 -1.10 -0.06 0.00 -0.52 0.00 0.00 37.83 36.00 1rax s LYS 86 CO 0.10 0.25 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.16 1rax s LEU 87 N -1.71 2.59 -0.07 3.17 1.43 0.69 -4.95 118.68 119.84 1rax s LEU 87 Ca 0.02 -1.12 0.05 0.00 -1.03 0.00 0.00 54.13 52.06 1rax s LEU 87 Cb -0.10 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 1rax s LEU 87 CO 0.03 -0.18 -0.23 -0.75 0.23 0.00 0.00 176.35 175.45 1rax s LYS 88 N -3.63 2.65 -0.15 1.70 2.20 -1.26 -1.06 119.74 120.19 1rax s LYS 88 Ca 0.29 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 54.98 1rax s LYS 88 Cb 0.00 -2.22 -0.03 0.00 -1.51 0.00 0.00 37.83 34.07 1rax s LYS 88 CO 0.13 0.37 0.00 0.42 -0.36 0.00 0.00 175.35 175.91 1rax s ILE 89 N -0.13 4.26 0.96 5.43 1.01 -0.14 -4.96 121.20 127.63 1rax s ILE 89 Ca -0.04 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1rax s ILE 89 Cb -0.14 -2.87 0.16 0.00 0.01 0.00 0.00 42.46 39.62 1rax s ILE 89 CO 0.04 0.50 1.11 -2.16 0.00 0.00 0.00 174.94 174.44 1rax s PRO 90 N 0.15 0.78 0.62 2.79 0.04 -1.26 -4.46 135.00 133.65 1rax s PRO 90 Ca 0.01 0.41 0.33 0.00 0.04 0.00 0.00 61.00 61.79 1rax s PRO 90 Cb -0.13 -1.79 1.87 0.00 0.04 0.00 0.00 34.50 34.49 1rax s PRO 90 CO 0.02 -2.47 2.17 1.49 0.04 0.00 0.00 177.00 178.25 1rax h GLU 91 N -1.70 0.00 0.00 4.56 4.81 -1.99 -3.14 114.58 117.12 1rax h GLU 91 Ca -0.53 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1rax h GLU 91 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1rax h GLU 91 CO 0.60 0.00 -0.23 -1.71 -0.73 0.00 0.00 179.01 176.94 1rax n ASN 92 N -3.52 0.18 -4.64 1.04 4.05 -1.26 -3.21 115.26 107.90 1rax n ASN 92 Ca -0.01 -1.58 -0.43 0.00 0.45 0.00 0.00 54.58 53.01 1rax n ASN 92 Cb 0.23 -0.11 -0.03 0.00 1.23 0.00 0.00 39.78 41.10 1rax n ASN 92 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rax s ALA 93 N -0.16 3.41 -0.56 5.20 0.00 -1.18 -4.86 121.76 123.60 1rax s ALA 93 Ca 0.01 0.75 -0.32 0.00 0.00 0.00 0.00 51.96 52.40 1rax s ALA 93 Cb 0.01 -3.82 -0.13 0.00 0.00 0.00 0.00 23.12 19.18 1rax s ALA 93 CO 0.00 -1.74 2.38 0.09 0.00 0.00 0.00 175.76 176.50 1rax n ASN 94 N 8.03 1.66 -0.07 0.00 3.02 -1.26 -4.13 115.26 122.51 1rax n ASN 94 Ca 0.19 0.10 -0.07 0.00 -0.03 0.00 0.00 54.58 54.77 1rax n ASN 94 Cb 0.44 -1.25 -0.01 0.00 -0.61 0.00 0.00 39.78 38.35 1rax n ASN 94 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1rax h VAL 95 N 7.50 0.42 -0.58 2.41 2.07 -1.73 0.36 116.25 126.70 1rax h VAL 95 Ca -0.20 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.49 1rax h VAL 95 Cb 1.31 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1rax h VAL 95 CO 1.16 0.00 0.66 0.15 0.02 0.00 0.00 177.57 179.55 1rax h PHE 96 N -0.19 0.00 -0.01 1.57 3.57 -1.79 -0.78 116.94 119.31 1rax h PHE 96 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1rax h PHE 96 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1rax h PHE 96 CO -0.40 0.00 -0.23 0.66 -2.23 0.00 0.00 178.31 176.11 1rax n TYR 97 N -3.57 0.00 0.00 0.41 4.01 0.93 -4.85 117.16 114.09 1rax n TYR 97 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1rax n TYR 97 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 1rax n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rax n ALA 98 N -0.08 0.32 -1.17 -0.72 0.00 0.71 -4.95 120.51 114.62 1rax n ALA 98 Ca 0.05 -0.21 -0.46 0.00 0.00 0.00 0.00 53.44 52.83 1rax n ALA 98 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 1rax n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rax n MET 99 N -2.44 0.00 -1.52 0.00 -0.00 -1.20 -4.63 117.12 107.33 1rax n MET 99 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.70 57.37 1rax n MET 99 Cb 0.00 -1.13 -0.14 0.00 -0.00 0.00 0.00 33.22 31.95 1rax n MET 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1rax n ASN 100 N 1.49 0.39 0.25 3.17 4.13 -1.26 -4.75 115.26 118.68 1rax n ASN 100 Ca 0.17 -0.29 0.11 0.00 1.68 0.00 0.00 54.58 56.25 1rax n ASN 100 Cb 0.04 -1.02 0.63 0.00 -1.54 0.00 0.00 39.78 37.89 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 13.27 0.00 0.00 6.41 0.87 -1.93 -1.78 113.55 130.39 1rax h SER 101 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1rax h SER 101 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1rax h SER 101 CO 1.37 0.17 0.00 1.07 -0.53 0.00 0.00 176.83 178.90 1rax n THR 102 N -3.65 0.00 0.00 2.23 5.66 -1.26 -4.64 114.28 112.61 1rax n THR 102 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1rax n THR 102 Cb 0.29 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.58 0.00 -2.41 1.79 0.00 -0.67 -5.17 120.51 113.46 1rax n ALA 103 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1rax n ALA 103 Cb 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 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 0.60 0.15 -0.85 0.00 2.47 -1.26 -5.07 114.94 110.98 1rax s ASN 104 Ca 0.00 -1.31 -0.02 0.00 0.42 0.00 0.00 52.86 51.95 1rax s ASN 104 Cb 0.00 0.43 0.26 0.00 -1.45 0.00 0.00 41.25 40.49 1rax s ASN 104 CO 0.00 -0.91 2.18 -1.22 -3.72 0.00 0.00 177.10 173.42 1rax n TYR 105 N -0.31 2.61 -5.24 0.43 4.02 -1.26 -4.81 117.16 112.60 1rax n TYR 105 Ca 0.01 -2.34 -0.31 0.00 -0.01 0.00 0.00 57.90 55.25 1rax n TYR 105 Cb 0.65 -1.29 -0.16 0.00 -0.02 0.00 0.00 39.34 38.52 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 -0.70 3.20 0.02 7.72 1.01 -1.26 -1.58 116.67 125.07 1rax s ASP 106 Ca 0.51 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.33 1rax s ASP 106 Cb 0.35 -0.50 -0.02 0.00 1.01 0.00 0.00 42.92 43.77 1rax s ASP 106 CO -0.29 0.31 -0.02 -0.36 0.21 0.00 0.00 175.17 175.02 1rax s PHE 107 N -0.55 0.21 -0.01 4.23 0.40 0.14 -1.08 117.98 121.33 1rax s PHE 107 Ca 0.08 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 1rax s PHE 107 Cb -0.11 -0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.24 1rax s PHE 107 CO -0.00 -0.14 -0.13 0.08 0.70 0.00 0.00 175.22 175.73 1rax s VAL 108 N -1.13 3.19 -0.37 -0.44 1.01 0.69 -1.44 120.40 121.91 1rax s VAL 108 Ca -0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1rax s VAL 108 Cb -0.08 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 34.06 1rax s VAL 108 CO -0.01 0.45 0.13 -0.22 0.00 0.00 0.00 175.10 175.46 1rax s LEU 109 N -1.16 4.77 0.24 3.92 2.96 0.95 -1.47 118.68 128.88 1rax s LEU 109 Ca 0.14 -1.74 0.07 0.00 -0.22 0.00 0.00 54.13 52.38 1rax s LEU 109 Cb -0.11 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1rax s LEU 109 CO 0.04 -0.44 0.20 -0.54 -1.32 0.00 0.00 176.35 174.29 1rax s LYS 110 N 1.19 2.96 0.23 1.98 1.02 -0.62 -0.87 119.74 125.63 1rax s LYS 110 Ca 0.04 -1.01 -0.03 0.00 0.02 0.00 0.00 55.97 54.99 1rax s LYS 110 Cb -0.21 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1rax s LYS 110 CO -0.03 0.42 0.46 0.21 -0.92 0.00 0.00 175.35 175.48 1rax s LYS 111 N -3.74 3.59 -0.11 1.68 2.20 -1.26 0.31 119.74 122.40 1rax s LYS 111 Ca 0.33 -0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.74 1rax s LYS 111 Cb -0.08 -2.76 -0.17 0.00 -1.51 0.00 0.00 37.83 33.31 1rax s LYS 111 CO 0.25 0.34 3.32 0.54 -0.36 0.00 0.00 175.35 179.44 1rax n ARG 112 N -0.63 2.04 -4.19 4.03 5.12 -0.47 -4.63 116.66 117.93 1rax n ARG 112 Ca -0.03 -1.28 -0.18 0.00 -1.93 0.00 0.00 57.85 54.43 1rax n ARG 112 Cb 0.53 -1.98 -0.15 0.00 -1.16 0.00 0.00 32.46 29.70 1rax n ARG 112 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1rax s THR 113 N 0.12 0.50 -0.30 0.55 -4.23 -1.26 -5.00 115.64 106.03 1rax s THR 113 Ca 0.61 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.75 1rax s THR 113 Cb 0.32 -0.48 0.17 0.00 1.34 0.00 0.00 72.50 73.85 1rax s THR 113 CO -0.05 0.18 1.22 0.12 -0.54 0.00 0.00 174.62 175.55 1rax s PHE 114 N 0.37 -0.13 0.00 3.99 5.36 -1.26 -5.19 117.98 121.13 1rax s PHE 114 Ca -0.05 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 1rax s PHE 114 Cb -0.08 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.64 1rax s PHE 114 CO -0.00 -0.07 0.00 0.25 -1.46 0.00 0.00 175.22 173.94