#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs5 n SER 3 N 0.00 -1.42 0.00 2.89 3.41 -1.26 -5.00 113.62 112.24 1vs5 n SER 3 Ca 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1vs5 n SER 3 Cb 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1vs5 n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vs5 n LEU 4 N 2.38 0.00 0.00 1.04 4.77 -1.26 -5.03 117.00 118.90 1vs5 n LEU 4 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1vs5 n LEU 4 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1vs5 n LEU 4 CO -0.11 0.04 0.00 0.29 -1.33 0.00 0.00 177.39 176.27 1vs5 n LYS 5 N 0.00 0.00 -3.87 3.23 4.01 -1.26 -3.63 118.16 116.64 1vs5 n LYS 5 Ca 0.00 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.46 1vs5 n LYS 5 Cb 0.04 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.43 1vs5 n LYS 5 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1vs5 s LYS 6 N 0.00 1.86 0.00 1.97 -0.14 -1.26 -4.78 119.74 117.39 1vs5 s LYS 6 Ca 0.00 -1.96 0.00 0.00 -1.36 0.00 0.00 55.97 52.65 1vs5 s LYS 6 Cb 0.00 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 1vs5 s LYS 6 CO 0.00 -1.04 0.00 0.41 -0.76 0.00 0.00 175.35 173.96 1vs5 n GLY 7 N 4.27 0.10 3.49 -3.33 0.00 -1.24 -5.02 105.19 103.46 1vs5 n GLY 7 Ca 0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1vs5 n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vs5 n PRO 8 N 0.00 0.21 -1.76 1.61 -0.02 -1.26 -4.88 135.00 128.90 1vs5 n PRO 8 Ca 0.00 -1.08 -0.38 0.00 -2.02 0.00 0.00 63.50 60.02 1vs5 n PRO 8 Cb 0.00 -3.24 0.05 0.00 -0.02 0.00 0.00 33.50 30.29 1vs5 n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1vs5 s PHE 9 N 12.98 2.19 -0.02 6.00 2.19 -1.26 -4.91 117.98 135.14 1vs5 s PHE 9 Ca 0.78 1.41 -0.04 0.00 0.33 0.00 0.00 56.93 59.42 1vs5 s PHE 9 Cb -0.13 -3.77 0.00 0.00 -1.31 0.00 0.00 43.02 37.82 1vs5 s PHE 9 CO 0.16 -2.93 0.10 0.96 1.83 0.00 0.00 175.22 175.34 1vs5 s ILE 10 N -1.34 0.03 -0.13 3.12 -4.36 -1.26 -3.95 121.20 113.32 1vs5 s ILE 10 Ca 0.76 -0.25 -0.29 0.00 -0.26 0.00 0.00 60.65 60.61 1vs5 s ILE 10 Cb -0.39 -0.22 -0.05 0.00 1.25 0.00 0.00 42.46 43.04 1vs5 s ILE 10 CO 0.45 -0.14 1.81 -1.81 0.24 0.00 0.00 174.94 175.48 1vs5 s ASP 11 N -0.42 6.30 0.55 4.36 1.11 -1.26 -4.84 116.67 122.47 1vs5 s ASP 11 Ca -0.05 2.04 0.31 0.00 0.18 0.00 0.00 52.55 55.03 1vs5 s ASP 11 Cb -0.03 -2.53 1.47 0.00 1.07 0.00 0.00 42.92 42.90 1vs5 s ASP 11 CO 0.00 -1.26 1.89 0.25 1.18 0.00 0.00 175.17 177.23 1vs5 h LEU 12 N 11.70 0.00 -0.59 1.23 6.46 -1.99 -2.20 115.31 129.92 1vs5 h LEU 12 Ca -0.40 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.48 1vs5 h LEU 12 Cb 1.19 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.01 1vs5 h LEU 12 CO 0.97 0.00 -0.19 0.45 -0.62 0.00 0.00 178.44 179.05 1vs5 h HIS 13 N 0.00 -0.43 0.00 1.25 3.86 -1.99 0.64 115.15 118.48 1vs5 h HIS 13 Ca 0.37 0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.56 1vs5 h HIS 13 Cb 1.57 0.28 -0.01 0.00 1.06 0.00 0.00 27.41 30.31 1vs5 h HIS 13 CO 0.00 -0.29 -0.51 1.37 0.86 0.00 0.00 177.93 179.37 1vs5 h LEU 14 N -0.04 0.00 0.00 2.43 -0.00 -1.77 -3.36 115.31 112.57 1vs5 h LEU 14 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1vs5 h LEU 14 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1vs5 h LEU 14 CO -0.62 0.33 0.00 -0.11 -0.00 0.00 0.00 178.44 178.03 1vs5 n LEU 15 N -3.10 0.00 0.03 0.17 7.94 0.20 -1.67 117.00 120.56 1vs5 n LEU 15 Ca 0.01 0.78 0.20 0.00 -1.11 0.00 0.00 56.01 55.89 1vs5 n LEU 15 Cb 0.67 -0.28 0.71 0.00 0.53 0.00 0.00 43.42 45.06 1vs5 n LEU 15 CO 0.39 -0.28 1.18 0.11 -1.11 0.00 0.00 177.39 177.69 1vs5 h LYS 16 N 0.00 0.00 0.50 1.96 1.79 -1.70 -2.63 116.57 116.50 1vs5 h LYS 16 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1vs5 h LYS 16 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1vs5 h LYS 16 CO 0.00 0.00 -0.24 0.87 -1.08 0.00 0.00 179.45 179.00 1vs5 h LYS 17 N 0.00 -0.65 -0.99 3.15 1.57 -1.63 0.68 116.57 118.70 1vs5 h LYS 17 Ca 0.23 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.20 1vs5 h LYS 17 Cb 1.00 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.36 1vs5 h LYS 17 CO -0.00 -0.43 0.62 -0.24 -0.57 0.00 0.00 179.45 178.83 1vs5 h VAL 18 N -1.11 0.84 -0.27 0.50 3.04 -1.22 0.32 116.25 118.34 1vs5 h VAL 18 Ca -0.07 -0.30 -0.09 0.00 -1.01 0.00 0.00 66.70 65.23 1vs5 h VAL 18 Cb 0.52 -0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.66 1vs5 h VAL 18 CO 0.11 0.16 -0.21 -0.33 -1.01 0.00 0.00 177.57 176.30 1vs5 h GLU 19 N 0.89 0.50 -0.59 4.17 5.08 -1.50 -2.54 114.58 120.59 1vs5 h GLU 19 Ca 0.52 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1vs5 h GLU 19 Cb 0.65 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1vs5 h GLU 19 CO -0.29 0.68 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.15 1vs5 h LYS 20 N 0.45 1.06 -0.32 2.33 3.11 0.20 -2.58 116.57 120.82 1vs5 h LYS 20 Ca 0.07 -0.36 0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1vs5 h LYS 20 Cb 0.62 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 1vs5 h LYS 20 CO 0.04 1.06 0.20 0.00 -2.81 0.00 0.00 179.45 177.94 1vs5 h ALA 21 N 0.97 0.41 -0.29 5.00 0.00 -0.63 -1.78 119.26 122.94 1vs5 h ALA 21 Ca 0.16 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1vs5 h ALA 21 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1vs5 h ALA 21 CO 0.04 -0.15 0.19 0.28 0.00 0.00 0.00 179.25 179.61 1vs5 h VAL 22 N 0.41 1.01 -1.00 0.00 2.07 -1.30 0.35 116.25 117.79 1vs5 h VAL 22 Ca 0.12 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1vs5 h VAL 22 Cb -0.02 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 1vs5 h VAL 22 CO -0.05 0.05 0.63 -0.08 0.02 0.00 0.00 177.57 178.15 1vs5 h GLU 23 N 0.29 0.98 -0.22 1.57 4.57 -0.92 -1.42 114.58 119.43 1vs5 h GLU 23 Ca 0.12 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1vs5 h GLU 23 Cb 0.12 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1vs5 h GLU 23 CO -0.02 0.65 0.00 0.43 -1.18 0.00 0.00 179.01 178.88 1vs5 n SER 24 N -4.59 3.21 0.00 1.04 7.64 -0.56 -5.06 113.62 115.29 1vs5 n SER 24 Ca 0.18 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1vs5 n SER 24 Cb 0.33 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1vs5 n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vs5 n GLY 25 N -0.38 1.12 2.45 0.23 0.00 0.11 -4.94 105.19 103.78 1vs5 n GLY 25 Ca 0.16 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1vs5 n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vs5 n ASP 26 N 1.58 0.08 0.00 1.61 9.92 -1.23 -3.09 116.55 125.41 1vs5 n ASP 26 Ca 0.00 -2.64 0.00 0.00 -0.53 0.00 0.00 54.79 51.62 1vs5 n ASP 26 Cb 0.00 1.08 0.00 0.00 -0.64 0.00 0.00 41.12 41.56 1vs5 n ASP 26 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1vs5 n LYS 27 N -0.55 -1.15 -1.17 -1.24 2.85 -1.26 -5.00 118.16 110.63 1vs5 n LYS 27 Ca 0.02 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.97 1vs5 n LYS 27 Cb 0.46 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.95 1vs5 n LYS 27 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1vs5 s LYS 28 N -0.54 1.88 0.91 -1.58 0.00 -1.26 -4.85 119.74 114.29 1vs5 s LYS 28 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 55.97 57.00 1vs5 s LYS 28 Cb 0.00 -1.85 0.07 0.00 0.00 0.00 0.00 37.83 36.05 1vs5 s LYS 28 CO 0.00 -1.91 0.75 -0.35 0.00 0.00 0.00 175.35 173.84 1vs5 n PRO 29 N -3.70 -0.24 -3.94 1.78 -0.04 -1.26 -4.94 135.00 122.66 1vs5 n PRO 29 Ca 0.09 -0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 1vs5 n PRO 29 Cb 0.53 -2.09 -0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1vs5 n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vs5 s LEU 30 N -3.33 3.10 0.15 1.53 2.01 -1.20 -5.01 118.68 115.94 1vs5 s LEU 30 Ca 0.63 -0.74 -0.34 0.00 0.01 0.00 0.00 54.13 53.69 1vs5 s LEU 30 Cb -0.24 -1.68 -0.16 0.00 0.01 0.00 0.00 46.19 44.11 1vs5 s LEU 30 CO 0.62 -0.10 1.12 -1.14 1.01 0.00 0.00 176.35 177.86 1vs5 n ARG 31 N 4.71 0.96 -3.79 1.70 3.00 -1.26 -3.76 116.66 118.22 1vs5 n ARG 31 Ca -0.17 0.34 -0.13 0.00 -0.00 0.00 0.00 57.85 57.90 1vs5 n ARG 31 Cb 0.48 -1.82 -0.12 0.00 0.00 0.00 0.00 32.46 31.01 1vs5 n ARG 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1vs5 s THR 32 N -0.18 -0.00 -0.03 5.15 2.01 -1.10 -4.91 115.64 116.58 1vs5 s THR 32 Ca 0.75 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.83 1vs5 s THR 32 Cb -0.91 -0.32 -0.10 0.00 0.01 0.00 0.00 72.50 71.18 1vs5 s THR 32 CO 0.53 0.00 0.11 0.79 -0.69 0.00 0.00 174.62 175.36 1vs5 n TRP 33 N 3.00 0.00 -2.76 4.92 8.01 -1.26 -2.34 117.44 127.01 1vs5 n TRP 33 Ca -0.13 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.63 1vs5 n TRP 33 Cb 0.58 -0.22 -0.03 0.00 -2.01 0.00 0.00 31.31 29.63 1vs5 n TRP 33 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1vs5 s SER 34 N -3.17 6.30 0.12 -0.99 1.04 -1.26 -4.64 113.70 111.10 1vs5 s SER 34 Ca -0.03 -1.13 0.15 0.00 0.48 0.00 0.00 55.95 55.42 1vs5 s SER 34 Cb 0.04 -2.47 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 1vs5 s SER 34 CO 0.29 -1.47 1.04 0.03 0.98 0.00 0.00 173.24 174.11 1vs5 h ARG 35 N 9.57 0.00 0.00 4.02 3.08 -1.95 -3.35 114.38 125.76 1vs5 h ARG 35 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1vs5 h ARG 35 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1vs5 h ARG 35 CO 1.22 0.45 0.03 0.54 -1.07 0.00 0.00 179.97 181.15 1vs5 n ARG 36 N -3.06 0.00 -2.23 0.04 1.74 -1.26 -1.25 116.66 110.64 1vs5 n ARG 36 Ca -0.06 0.11 -0.28 0.00 -0.77 0.00 0.00 57.85 56.85 1vs5 n ARG 36 Cb 0.84 -1.53 0.04 0.00 -1.02 0.00 0.00 32.46 30.79 1vs5 n ARG 36 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1vs5 s SER 37 N -2.05 5.51 -0.11 0.55 1.04 -1.26 -4.81 113.70 112.57 1vs5 s SER 37 Ca 0.00 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.16 1vs5 s SER 37 Cb 0.00 -1.75 -0.05 0.00 0.10 0.00 0.00 66.02 64.32 1vs5 s SER 37 CO 0.00 -1.17 0.22 -0.89 0.98 0.00 0.00 173.24 172.38 1vs5 s THR 38 N -3.12 5.35 -0.69 2.02 2.01 -1.25 -0.23 115.64 119.73 1vs5 s THR 38 Ca 0.55 0.41 -0.25 0.00 0.31 0.00 0.00 61.69 62.71 1vs5 s THR 38 Cb -0.11 -3.52 -0.13 0.00 0.01 0.00 0.00 72.50 68.76 1vs5 s THR 38 CO 0.47 0.54 2.42 -0.38 -0.69 0.00 0.00 174.62 176.99 1vs5 n ILE 39 N 2.44 -0.04 -1.73 1.82 5.41 0.31 -4.73 119.36 122.85 1vs5 n ILE 39 Ca -0.17 -0.60 -0.38 0.00 1.00 0.00 0.00 62.75 62.60 1vs5 n ILE 39 Cb 0.53 -2.14 0.05 0.00 -0.71 0.00 0.00 39.64 37.38 1vs5 n ILE 39 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1vs5 n PHE 40 N 16.31 2.05 0.30 1.39 7.35 -1.26 -3.81 117.46 139.79 1vs5 n PHE 40 Ca 0.45 0.43 -0.16 0.00 -0.76 0.00 0.00 57.45 57.41 1vs5 n PHE 40 Cb 0.44 -2.31 -0.08 0.00 0.35 0.00 0.00 39.48 37.87 1vs5 n PHE 40 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1vs5 h PRO 41 N 1.02 -0.69 -0.11 -7.13 0.13 -1.88 -2.88 132.00 120.46 1vs5 h PRO 41 Ca -0.51 0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1vs5 h PRO 41 Cb 1.32 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.61 1vs5 h PRO 41 CO 0.55 -0.43 0.25 -2.95 -0.23 0.00 0.00 178.00 175.19 1vs5 h ASN 42 N -0.80 0.00 0.27 1.44 7.08 -1.96 0.31 115.58 121.92 1vs5 h ASN 42 Ca -0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 1vs5 h ASN 42 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.83 1vs5 h ASN 42 CO 0.12 0.00 0.00 0.23 -2.08 0.00 0.00 177.43 175.70 1vs5 n MET 43 N -3.30 0.22 -1.61 4.14 2.81 -1.09 -4.84 117.12 113.45 1vs5 n MET 43 Ca 0.00 0.14 -0.59 0.00 -1.81 0.00 0.00 57.70 55.44 1vs5 n MET 43 Cb 0.34 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.27 1vs5 n MET 43 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1vs5 n ILE 44 N -1.27 0.05 -3.12 2.02 0.13 0.11 -1.71 119.36 115.57 1vs5 n ILE 44 Ca 0.07 -0.01 -0.16 0.00 -1.10 0.00 0.00 62.75 61.55 1vs5 n ILE 44 Cb 0.12 -0.52 0.05 0.00 -0.84 0.00 0.00 39.64 38.45 1vs5 n ILE 44 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1vs5 n GLY 45 N 2.76 -0.12 0.00 4.50 0.00 0.11 -4.90 105.19 107.53 1vs5 n GLY 45 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1vs5 n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vs5 n LEU 46 N -3.42 0.00 -3.95 0.99 7.99 -0.69 -4.87 117.00 113.04 1vs5 n LEU 46 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.70 1vs5 n LEU 46 Cb 0.56 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.70 1vs5 n LEU 46 CO 0.42 -0.07 -0.46 -0.89 -1.51 0.00 0.00 177.39 174.88 1vs5 s THR 47 N 0.22 1.25 0.11 -5.08 2.01 -1.22 -3.71 115.64 109.22 1vs5 s THR 47 Ca 0.00 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1vs5 s THR 47 Cb 0.00 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1vs5 s THR 47 CO 0.00 0.40 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.58 1vs5 s ILE 48 N 1.59 1.15 0.08 1.82 1.09 -0.18 -3.22 121.20 123.54 1vs5 s ILE 48 Ca 0.04 -1.69 0.04 0.00 -1.10 0.00 0.00 60.65 57.94 1vs5 s ILE 48 Cb -0.13 -1.46 -0.03 0.00 -1.06 0.00 0.00 42.46 39.78 1vs5 s ILE 48 CO -0.09 -0.49 -0.11 0.00 -0.10 0.00 0.00 174.94 174.15 1vs5 s ALA 49 N -2.30 1.04 -0.06 9.38 0.00 -1.23 -0.01 121.76 128.58 1vs5 s ALA 49 Ca 0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1vs5 s ALA 49 Cb -0.04 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1vs5 s ALA 49 CO 0.02 0.04 0.01 0.08 0.00 0.00 0.00 175.76 175.91 1vs5 s VAL 50 N -1.82 0.30 -1.08 0.00 1.01 -1.20 -2.72 120.40 114.89 1vs5 s VAL 50 Ca -0.00 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 1vs5 s VAL 50 Cb -0.07 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.78 1vs5 s VAL 50 CO 0.01 0.24 1.92 -2.28 0.00 0.00 0.00 175.10 174.99 1vs5 s HIS 51 N 1.93 1.94 -1.27 5.22 2.46 -0.99 -2.78 115.29 121.81 1vs5 s HIS 51 Ca 0.04 0.43 0.00 0.00 0.47 0.00 0.00 55.06 56.00 1vs5 s HIS 51 Cb -0.12 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.27 1vs5 s HIS 51 CO -0.05 -1.44 0.30 0.27 -2.47 0.00 0.00 174.74 171.35 1vs5 n ASN 52 N 13.91 0.34 0.00 9.88 6.94 0.76 -4.74 115.26 142.36 1vs5 n ASN 52 Ca 0.43 -0.94 0.00 0.00 -0.02 0.00 0.00 54.58 54.05 1vs5 n ASN 52 Cb 0.47 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1vs5 n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vs5 n GLY 53 N 0.19 3.10 0.10 4.83 0.00 -1.26 -4.83 105.19 107.32 1vs5 n GLY 53 Ca 0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 1vs5 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs5 n ARG 54 N 0.00 0.53 -0.82 1.61 1.74 -1.26 -5.08 116.66 113.38 1vs5 n ARG 54 Ca 0.00 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1vs5 n ARG 54 Cb 0.00 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1vs5 n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vs5 n GLN 55 N -4.46 0.00 -3.28 5.56 1.13 -1.26 -5.08 117.38 109.99 1vs5 n GLN 55 Ca -0.27 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.59 1vs5 n GLN 55 Cb 0.58 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.95 1vs5 n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1vs5 s HIS 56 N -2.08 2.02 0.00 1.08 3.76 -1.24 -0.17 115.29 118.67 1vs5 s HIS 56 Ca 0.00 -0.62 0.02 0.00 -0.15 0.00 0.00 55.06 54.30 1vs5 s HIS 56 Cb 0.00 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 1vs5 s HIS 56 CO 0.00 -0.67 -0.06 0.14 -0.85 0.00 0.00 174.74 173.30 1vs5 s VAL 57 N -2.57 0.47 0.39 -0.90 -7.23 -1.12 -4.74 120.40 104.71 1vs5 s VAL 57 Ca 0.53 -0.36 -0.26 0.00 -1.81 0.00 0.00 61.98 60.07 1vs5 s VAL 57 Cb -0.06 -0.42 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 1vs5 s VAL 57 CO 0.32 0.06 1.32 -2.16 -0.31 0.00 0.00 175.10 174.33 1vs5 s PRO 58 N -0.33 4.02 -0.04 4.82 0.04 -1.26 -3.23 135.00 139.02 1vs5 s PRO 58 Ca 0.01 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 1vs5 s PRO 58 Cb -0.03 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.73 1vs5 s PRO 58 CO -0.00 -0.46 0.06 0.08 0.04 0.00 0.00 177.00 176.72 1vs5 s VAL 59 N -1.23 -0.11 -0.49 -0.36 1.01 0.98 -4.90 120.40 115.30 1vs5 s VAL 59 Ca 0.56 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.95 1vs5 s VAL 59 Cb -0.39 -0.15 0.13 0.00 0.00 0.00 0.00 36.38 35.98 1vs5 s VAL 59 CO 0.51 0.16 0.25 -0.36 0.00 0.00 0.00 175.10 175.66 1vs5 s PHE 60 N 1.94 2.66 0.12 5.22 0.08 -1.24 -1.01 117.98 125.76 1vs5 s PHE 60 Ca 0.02 -2.85 -0.34 0.00 0.12 0.00 0.00 56.93 53.88 1vs5 s PHE 60 Cb -0.12 -2.41 -0.18 0.00 -0.57 0.00 0.00 43.02 39.74 1vs5 s PHE 60 CO -0.03 -0.76 0.92 0.28 -0.10 0.00 0.00 175.22 175.53 1vs5 n VAL 61 N 3.28 0.95 -4.29 -0.44 0.31 -1.25 -4.69 118.33 112.20 1vs5 n VAL 61 Ca 0.07 -0.24 -0.25 0.00 -0.01 0.00 0.00 64.34 63.91 1vs5 n VAL 61 Cb 0.33 -0.28 -0.08 0.00 -0.91 0.00 0.00 33.84 32.90 1vs5 n VAL 61 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1vs5 s THR 62 N -0.40 3.31 0.37 2.52 2.01 -1.26 0.06 115.64 122.25 1vs5 s THR 62 Ca 0.76 -1.75 0.19 0.00 0.31 0.00 0.00 61.69 61.19 1vs5 s THR 62 Cb -1.02 -2.70 0.37 0.00 0.01 0.00 0.00 72.50 69.17 1vs5 s THR 62 CO 0.55 -0.22 1.67 0.44 -0.69 0.00 0.00 174.62 176.38 1vs5 h ASP 63 N 2.50 0.45 0.43 3.53 3.45 -1.96 0.35 116.42 125.16 1vs5 h ASP 63 Ca -0.46 0.16 -0.21 0.00 0.43 0.00 0.00 57.03 56.95 1vs5 h ASP 63 Cb 1.22 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 40.10 1vs5 h ASP 63 CO 0.57 -0.10 -0.89 1.05 -1.57 0.00 0.00 179.24 178.30 1vs5 h GLU 64 N 0.29 0.32 -5.61 3.56 -0.00 -2.01 -3.42 114.58 107.71 1vs5 h GLU 64 Ca 0.73 -0.33 -0.29 0.00 -0.00 0.00 0.00 59.36 59.47 1vs5 h GLU 64 Cb 1.83 0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 30.66 1vs5 h GLU 64 CO -0.51 1.02 0.88 -1.64 -0.00 0.00 0.00 179.01 178.77 1vs5 s MET 65 N -3.28 2.11 0.00 1.06 -1.94 0.12 -4.69 119.30 112.68 1vs5 s MET 65 Ca -0.05 0.64 0.00 0.00 -1.71 0.00 0.00 55.69 54.57 1vs5 s MET 65 Cb 0.10 -4.71 0.00 0.00 2.01 0.00 0.00 34.83 32.23 1vs5 s MET 65 CO 0.85 -3.60 0.00 0.28 -0.01 0.00 0.00 175.02 172.54 1vs5 n VAL 66 N 8.10 0.00 0.00 -6.03 0.31 -1.25 -4.57 118.33 114.89 1vs5 n VAL 66 Ca 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.71 1vs5 n VAL 66 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 1vs5 n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vs5 n GLY 67 N 2.99 0.00 3.86 2.92 0.00 -1.26 -2.84 105.19 110.86 1vs5 n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1vs5 n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vs5 s HIS 68 N -1.93 3.49 0.01 1.61 5.04 -1.26 -4.59 115.29 117.65 1vs5 s HIS 68 Ca 0.00 1.24 -0.25 0.00 -1.54 0.00 0.00 55.06 54.51 1vs5 s HIS 68 Cb 0.00 -2.62 -0.05 0.00 0.04 0.00 0.00 32.58 29.96 1vs5 s HIS 68 CO 0.00 -0.30 0.77 0.15 -2.34 0.00 0.00 174.74 173.01 1vs5 s LYS 69 N -4.17 4.48 0.31 2.88 1.02 -1.26 0.12 119.74 123.11 1vs5 s LYS 69 Ca 0.55 1.05 0.07 0.00 0.02 0.00 0.00 55.97 57.65 1vs5 s LYS 69 Cb -0.10 -3.40 0.77 0.00 -0.52 0.00 0.00 37.83 34.58 1vs5 s LYS 69 CO 0.35 0.19 1.76 1.25 -0.92 0.00 0.00 175.35 177.99 1vs5 h LEU 70 N 6.08 0.76 -1.28 3.17 5.85 -0.63 -0.62 115.31 128.65 1vs5 h LEU 70 Ca -0.43 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.47 1vs5 h LEU 70 Cb 1.20 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1vs5 h LEU 70 CO 0.72 0.24 0.53 1.23 -0.34 0.00 0.00 178.44 180.82 1vs5 h GLY 71 N 0.72 1.12 -0.45 3.75 0.00 -1.37 -2.64 103.07 104.21 1vs5 h GLY 71 Ca 0.59 -0.35 0.25 0.00 0.00 0.00 0.00 47.33 47.83 1vs5 h GLY 71 CO -0.40 0.24 0.33 0.83 0.00 0.00 0.00 176.54 177.53 1vs5 h GLU 72 N 0.85 0.25 -0.99 4.80 4.39 -1.40 0.33 114.58 122.80 1vs5 h GLU 72 Ca 0.36 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.04 1vs5 h GLU 72 Cb 0.28 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1vs5 h GLU 72 CO -0.13 0.16 0.00 0.34 -1.16 0.00 0.00 179.01 178.22 1vs5 n PHE 73 N -5.17 0.05 -3.57 4.33 -0.00 -0.99 -4.64 117.46 107.47 1vs5 n PHE 73 Ca 0.24 -0.07 -0.22 0.00 -0.00 0.00 0.00 57.45 57.40 1vs5 n PHE 73 Cb 0.75 -0.13 -0.15 0.00 -0.00 0.00 0.00 39.48 39.95 1vs5 n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vs5 s ALA 74 N -0.94 0.08 1.07 3.13 0.00 0.11 -4.99 121.76 120.21 1vs5 s ALA 74 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1vs5 s ALA 74 Cb 0.01 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 22.09 1vs5 s ALA 74 CO 0.00 -1.09 0.19 -0.35 0.00 0.00 0.00 175.76 174.51 1vs5 n PRO 75 N 5.30 -1.90 0.00 0.00 -0.04 -1.26 -4.96 135.00 132.15 1vs5 n PRO 75 Ca -0.06 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 1vs5 n PRO 75 Cb 0.49 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 1vs5 n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1vs5 n THR 76 N -3.20 0.00 -2.09 0.52 -1.04 -1.26 -4.83 114.28 102.38 1vs5 n THR 76 Ca 0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 1vs5 n THR 76 Cb 0.11 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1vs5 n THR 76 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1vs5 s ARG 77 N -0.49 3.54 0.52 -2.82 0.52 -1.26 -4.98 118.95 113.99 1vs5 s ARG 77 Ca 0.00 1.02 -0.10 0.00 -0.52 0.00 0.00 55.73 56.12 1vs5 s ARG 77 Cb 0.00 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 1vs5 s ARG 77 CO 0.00 -0.61 0.90 0.99 0.02 0.00 0.00 175.30 176.60 1vs5 s THR 78 N -2.70 4.75 -0.26 0.02 2.01 -1.26 -5.09 115.64 113.11 1vs5 s THR 78 Ca 0.60 0.70 -0.26 0.00 0.31 0.00 0.00 61.69 63.04 1vs5 s THR 78 Cb -0.13 -3.81 0.11 0.00 0.01 0.00 0.00 72.50 68.68 1vs5 s THR 78 CO 0.39 -0.86 0.97 -0.72 -0.69 0.00 0.00 174.62 173.71 1vs5 s TYR 79 N -2.80 -0.52 0.00 4.92 -0.85 -1.26 -5.30 117.35 111.54 1vs5 s TYR 79 Ca 0.53 1.24 0.00 0.00 -0.52 0.00 0.00 57.07 58.31 1vs5 s TYR 79 Cb -0.10 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.59 1vs5 s TYR 79 CO 0.43 -0.27 0.00 -2.13 -1.52 0.00 0.00 175.55 172.06