#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6i n MET 1 N 0.00 1.80 -2.11 -1.40 0.00 -1.26 -4.91 117.12 109.25 1x6i n MET 1 Ca 0.00 0.65 -0.42 0.00 -0.00 0.00 0.00 57.70 57.93 1x6i n MET 1 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 33.22 30.75 1x6i n MET 1 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1x6i s ASP 2 N -0.69 6.76 0.54 6.12 -1.08 -1.26 -4.89 116.67 122.16 1x6i s ASP 2 Ca 0.65 2.33 0.35 0.00 -0.52 0.00 0.00 52.55 55.37 1x6i s ASP 2 Cb -0.47 -2.58 1.72 0.00 -1.46 0.00 0.00 42.92 40.13 1x6i s ASP 2 CO 0.55 -0.74 2.07 0.16 0.52 0.00 0.00 175.17 177.73 1x6i h ILE 3 N 4.51 0.00 -0.15 4.11 3.07 -1.94 -2.46 117.51 124.65 1x6i h ILE 3 Ca -0.41 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 65.78 1x6i h ILE 3 Cb 1.20 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 1x6i h ILE 3 CO 0.89 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.58 1x6i n ASN 4 N -2.89 2.64 -4.23 2.16 3.02 -1.26 -4.63 115.26 110.07 1x6i n ASN 4 Ca -0.01 -1.86 -0.44 0.00 -0.03 0.00 0.00 54.58 52.24 1x6i n ASN 4 Cb 0.17 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1x6i n ASN 4 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1x6i n ASN 5 N 1.01 5.76 -0.34 6.41 2.85 -0.93 -4.87 115.26 125.16 1x6i n ASN 5 Ca 0.17 -3.15 -0.04 0.00 -0.11 0.00 0.00 54.58 51.45 1x6i n ASN 5 Cb 0.51 -1.37 0.09 0.00 1.24 0.00 0.00 39.78 40.26 1x6i n ASN 5 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1x6i h LYS 6 N 6.29 1.27 -0.11 1.20 1.57 -1.85 -1.84 116.57 123.11 1x6i h LYS 6 Ca 0.20 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1x6i h LYS 6 Cb 0.79 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1x6i h LYS 6 CO 1.15 0.92 -0.31 0.00 -0.57 0.00 0.00 179.45 180.64 1x6i h ALA 7 N 1.28 1.28 -0.18 3.86 0.00 -1.98 -0.02 119.26 123.49 1x6i h ALA 7 Ca 0.32 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1x6i h ALA 7 Cb 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1x6i h ALA 7 CO -0.05 0.50 -0.73 -0.09 0.00 0.00 0.00 179.25 178.87 1x6i h ARG 8 N 0.18 0.82 -0.56 0.00 2.43 -1.85 -2.62 114.38 112.78 1x6i h ARG 8 Ca 0.03 -0.63 -0.08 0.00 -0.81 0.00 0.00 59.98 58.48 1x6i h ARG 8 Cb 0.65 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1x6i h ARG 8 CO 0.05 1.25 0.03 0.82 -1.51 0.00 0.00 179.97 180.60 1x6i h ILE 9 N 0.57 1.25 -0.61 1.20 2.04 -1.02 -2.19 117.51 118.76 1x6i h ILE 9 Ca -0.04 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 64.85 1x6i h ILE 9 Cb 1.36 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1x6i h ILE 9 CO 0.15 0.38 0.28 -0.74 0.00 0.00 0.00 178.15 178.22 1x6i h HIS 10 N 0.88 0.50 -0.67 1.37 2.76 -0.95 -0.97 115.15 118.07 1x6i h HIS 10 Ca 0.17 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1x6i h HIS 10 Cb 0.47 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.26 1x6i h HIS 10 CO 0.03 0.19 0.43 2.35 -1.30 0.00 0.00 177.93 179.63 1x6i h TRP 11 N 0.50 0.82 0.00 5.26 7.01 -1.06 -2.18 115.95 126.30 1x6i h TRP 11 Ca 0.29 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 1x6i h TRP 11 Cb 0.29 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1x6i h TRP 11 CO -0.13 0.50 -0.03 0.00 -2.79 0.00 0.00 178.44 175.99 1x6i h ALA 12 N 1.26 1.09 0.00 2.65 0.00 -0.61 -1.88 119.26 121.78 1x6i h ALA 12 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1x6i h ALA 12 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1x6i h ALA 12 CO -0.07 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1x6i s ARG 14 N -3.37 3.62 0.52 0.00 6.06 -0.71 -4.51 118.95 120.56 1x6i s ARG 14 Ca 0.05 0.93 0.07 0.00 -2.50 0.00 0.00 55.73 54.28 1x6i s ARG 14 Cb 0.08 -4.00 0.03 0.00 0.06 0.00 0.00 34.95 31.12 1x6i s ARG 14 CO 0.58 -1.51 0.49 1.03 -2.50 0.00 0.00 175.30 173.40 1x6i s ARG 15 N 4.82 2.34 0.40 5.12 1.81 -1.26 -5.05 118.95 127.14 1x6i s ARG 15 Ca 0.60 -1.80 0.18 0.00 -1.72 0.00 0.00 55.73 52.98 1x6i s ARG 15 Cb -0.13 -2.31 0.84 0.00 -0.45 0.00 0.00 34.95 32.90 1x6i s ARG 15 CO 0.32 -0.56 1.84 0.78 -0.68 0.00 0.00 175.30 176.99 1x6i h GLY 16 N 0.69 0.00 -4.90 -3.53 0.00 -2.00 -3.47 103.07 89.86 1x6i h GLY 16 Ca -0.36 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.28 1x6i h GLY 16 CO 0.53 0.00 -0.87 -0.29 0.00 0.00 0.00 176.54 175.91 1x6i s MET 17 N -3.97 2.48 0.16 4.80 -2.45 -1.26 -5.04 119.30 114.02 1x6i s MET 17 Ca -0.02 -0.88 -0.20 0.00 -1.25 0.00 0.00 55.69 53.34 1x6i s MET 17 Cb 0.13 -2.18 0.08 0.00 1.25 0.00 0.00 34.83 34.11 1x6i s MET 17 CO 0.68 0.44 1.63 -0.09 1.05 0.00 0.00 175.02 178.74 1x6i h ARG 18 N 5.89 -0.16 -0.33 4.11 2.43 -1.99 -0.88 114.38 123.44 1x6i h ARG 18 Ca -0.36 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1x6i h ARG 18 Cb 1.16 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1x6i h ARG 18 CO 0.48 -0.10 0.06 0.93 -1.51 0.00 0.00 179.97 179.82 1x6i h GLU 19 N -0.16 0.49 -0.25 0.20 3.07 -1.99 -1.31 114.58 114.63 1x6i h GLU 19 Ca 0.18 -0.08 -0.16 0.00 -0.50 0.00 0.00 59.36 58.80 1x6i h GLU 19 Cb 0.44 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1x6i h GLU 19 CO -0.45 0.47 -0.47 -0.07 -1.40 0.00 0.00 179.01 177.09 1x6i h LEU 20 N 0.48 0.84 -0.87 1.33 3.38 -1.71 -2.90 115.31 115.87 1x6i h LEU 20 Ca 0.11 -0.54 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1x6i h LEU 20 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1x6i h LEU 20 CO -0.00 1.22 -0.12 0.44 0.09 0.00 0.00 178.44 180.07 1x6i h ASP 21 N 0.49 0.69 0.15 -0.43 3.45 -0.62 0.70 116.42 120.86 1x6i h ASP 21 Ca 0.01 -0.20 -0.03 0.00 0.43 0.00 0.00 57.03 57.24 1x6i h ASP 21 Cb 1.07 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.65 1x6i h ASP 21 CO 0.11 0.84 -0.14 0.40 -1.57 0.00 0.00 179.24 178.87 1x6i h ILE 22 N 0.63 1.06 0.00 0.35 2.04 -1.28 -3.03 117.51 117.29 1x6i h ILE 22 Ca 0.11 -0.48 -0.14 0.00 1.00 0.00 0.00 64.86 65.34 1x6i h ILE 22 Cb 0.58 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1x6i h ILE 22 CO 0.04 0.14 -1.06 -0.24 0.00 0.00 0.00 178.15 177.03 1x6i n SER 23 N -4.32 1.85 0.05 1.72 2.88 -1.03 -4.52 113.62 110.26 1x6i n SER 23 Ca -0.03 0.50 -0.20 0.00 -1.33 0.00 0.00 58.87 57.81 1x6i n SER 23 Cb 0.21 -0.90 -0.15 0.00 -0.75 0.00 0.00 64.21 62.63 1x6i n SER 23 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x6i h ILE 24 N -1.00 1.50 -0.26 2.46 2.04 -0.95 -2.95 117.51 118.35 1x6i h ILE 24 Ca -0.22 -2.53 -0.06 0.00 1.00 0.00 0.00 64.86 63.06 1x6i h ILE 24 Cb 0.99 3.17 -0.01 0.00 -0.74 0.00 0.00 36.82 40.23 1x6i h ILE 24 CO -0.13 0.72 -0.07 0.24 0.00 0.00 0.00 178.15 178.91 1x6i h MET 25 N -0.33 0.50 -0.29 2.37 2.86 -1.70 -0.72 114.93 117.63 1x6i h MET 25 Ca -0.15 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 1x6i h MET 25 Cb 1.66 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.28 1x6i h MET 25 CO 0.16 0.73 -0.10 -1.35 1.06 0.00 0.00 176.91 177.40 1x6i h PRO 26 N 0.24 0.47 -0.32 -0.22 0.11 -1.74 -0.96 132.00 129.59 1x6i h PRO 26 Ca 0.06 -0.13 0.02 0.00 0.11 0.00 0.00 66.00 66.07 1x6i h PRO 26 Cb 0.55 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.57 1x6i h PRO 26 CO 0.03 0.58 0.15 0.35 -0.21 0.00 0.00 178.00 178.90 1x6i h PHE 27 N 0.44 0.28 -0.06 0.65 3.57 -1.30 -1.18 116.94 119.34 1x6i h PHE 27 Ca 0.09 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1x6i h PHE 27 Cb 0.45 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1x6i h PHE 27 CO 0.01 0.15 -0.02 0.35 -2.23 0.00 0.00 178.31 176.57 1x6i h PHE 28 N 0.32 -0.05 -0.47 0.41 3.57 -0.67 0.16 116.94 120.22 1x6i h PHE 28 Ca 0.14 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1x6i h PHE 28 Cb 0.06 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1x6i h PHE 28 CO -0.10 -0.03 0.12 0.93 -2.23 0.00 0.00 178.31 177.00 1x6i h GLU 29 N -0.01 0.70 0.00 1.11 5.08 -0.95 -2.44 114.58 118.07 1x6i h GLU 29 Ca 0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1x6i h GLU 29 Cb 0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1x6i h GLU 29 CO -0.07 0.63 -1.45 0.72 -1.00 0.00 0.00 179.01 177.84 1x6i n HIS 30 N -4.31 0.00 0.00 4.33 8.25 -0.47 -4.71 115.22 118.31 1x6i n HIS 30 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1x6i n HIS 30 Cb 0.20 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1x6i n HIS 30 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1x6i n GLU 31 N -1.86 1.47 -0.34 -0.41 -0.58 0.55 -4.82 120.64 114.65 1x6i n GLU 31 Ca -0.01 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.75 1x6i n GLU 31 Cb 0.41 -0.88 0.16 0.00 -0.57 0.00 0.00 31.44 30.56 1x6i n GLU 31 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1x6i h TYR 32 N 0.00 1.09 0.00 -0.32 3.20 -1.42 -1.13 116.97 118.38 1x6i h TYR 32 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1x6i h TYR 32 Cb 0.01 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 37.93 1x6i h TYR 32 CO 0.00 0.56 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.63 1x6i h ASP 33 N 1.07 0.00 0.89 -2.11 3.32 -1.88 -1.91 116.42 115.80 1x6i h ASP 33 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1x6i h ASP 33 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1x6i h ASP 33 CO -0.18 0.00 -0.20 -1.54 -1.72 0.00 0.00 179.24 175.61 1x6i n SER 34 N -3.10 0.30 -4.81 6.45 3.41 -0.43 -4.91 113.62 110.52 1x6i n SER 34 Ca -0.02 0.26 -0.35 0.00 -0.26 0.00 0.00 58.87 58.50 1x6i n SER 34 Cb 0.12 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 1x6i n SER 34 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x6i s LEU 35 N -3.27 4.16 0.93 1.04 1.43 -0.72 -5.07 118.68 117.19 1x6i s LEU 35 Ca 0.12 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 1x6i s LEU 35 Cb 0.17 -4.10 0.15 0.00 0.03 0.00 0.00 46.19 42.45 1x6i s LEU 35 CO 0.60 -0.16 1.09 -0.94 0.23 0.00 0.00 176.35 177.17 1x6i s SER 36 N -1.93 3.17 0.30 2.29 1.04 -1.26 -4.78 113.70 112.53 1x6i s SER 36 Ca 0.53 1.35 -0.02 0.00 0.48 0.00 0.00 55.95 58.29 1x6i s SER 36 Cb -0.14 -2.03 0.44 0.00 0.10 0.00 0.00 66.02 64.39 1x6i s SER 36 CO 0.19 -2.81 1.97 0.44 0.98 0.00 0.00 173.24 174.01 1x6i h ASP 37 N -1.67 0.96 -0.61 7.02 5.19 -1.99 0.58 116.42 125.91 1x6i h ASP 37 Ca -0.51 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 55.81 1x6i h ASP 37 Cb 1.30 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1x6i h ASP 37 CO 0.56 0.69 0.15 0.44 -3.12 0.00 0.00 179.24 177.96 1x6i h ASP 38 N 1.13 0.93 -0.61 6.45 3.45 -1.99 -1.26 116.42 124.52 1x6i h ASP 38 Ca 0.31 -0.23 -0.09 0.00 0.43 0.00 0.00 57.03 57.44 1x6i h ASP 38 Cb -0.13 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.37 1x6i h ASP 38 CO -0.07 0.92 0.01 -0.33 -1.57 0.00 0.00 179.24 178.21 1x6i h GLU 39 N 0.90 1.06 -0.51 3.56 5.08 -1.74 -1.81 114.58 121.12 1x6i h GLU 39 Ca 0.19 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1x6i h GLU 39 Cb 0.36 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1x6i h GLU 39 CO 0.00 1.03 0.32 0.87 -1.00 0.00 0.00 179.01 180.23 1x6i h LYS 40 N 0.96 0.61 -0.78 2.33 1.57 -0.62 0.05 116.57 120.70 1x6i h LYS 40 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1x6i h LYS 40 Cb 0.54 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1x6i h LYS 40 CO 0.03 0.41 0.49 0.00 -0.57 0.00 0.00 179.45 179.81 1x6i h ARG 41 N 0.63 1.05 -0.52 3.15 3.08 -0.99 -1.31 114.38 119.47 1x6i h ARG 41 Ca 0.20 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1x6i h ARG 41 Cb -0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1x6i h ARG 41 CO -0.08 0.72 0.17 0.82 -1.07 0.00 0.00 179.97 180.53 1x6i h ILE 42 N 1.06 1.23 -0.53 2.04 2.04 -0.95 -1.62 117.51 120.78 1x6i h ILE 42 Ca 0.28 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1x6i h ILE 42 Cb -0.08 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1x6i h ILE 42 CO -0.06 0.28 0.27 0.15 0.00 0.00 0.00 178.15 178.79 1x6i h PHE 43 N 0.70 0.49 -0.82 1.37 3.57 -0.66 0.66 116.94 122.25 1x6i h PHE 43 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1x6i h PHE 43 Cb 0.26 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1x6i h PHE 43 CO 0.01 0.23 0.41 0.82 -2.23 0.00 0.00 178.31 177.55 1x6i h ILE 44 N 0.51 1.25 -0.73 1.41 2.04 -1.08 -1.78 117.51 119.14 1x6i h ILE 44 Ca 0.24 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1x6i h ILE 44 Cb 0.16 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1x6i h ILE 44 CO -0.17 0.30 0.28 -0.09 0.00 0.00 0.00 178.15 178.47 1x6i h ARG 45 N 1.15 1.10 -0.94 2.37 2.43 -0.60 -2.49 114.38 117.40 1x6i h ARG 45 Ca 0.28 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1x6i h ARG 45 Cb 0.10 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1x6i h ARG 45 CO -0.04 0.90 0.62 1.25 -1.51 0.00 0.00 179.97 181.19 1x6i h LEU 46 N 1.07 1.03 -2.33 3.80 5.85 -0.20 -1.71 115.31 122.82 1x6i h LEU 46 Ca 0.24 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1x6i h LEU 46 Cb 0.22 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1x6i h LEU 46 CO -0.02 0.72 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.73 1x6i h LEU 47 N 1.20 0.00 -0.00 2.25 3.38 -0.87 -1.44 115.31 119.83 1x6i h LEU 47 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1x6i h LEU 47 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1x6i h LEU 47 CO -0.11 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.81 1x6i n GLU 48 N -3.10 0.01 -1.56 1.13 1.02 -0.64 -4.84 120.64 112.65 1x6i n GLU 48 Ca -0.01 0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 1x6i n GLU 48 Cb 0.17 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 1x6i n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x6i s ASP 50 N -3.58 6.51 0.19 0.00 1.01 -1.26 -4.89 116.67 114.64 1x6i s ASP 50 Ca 0.59 1.82 -0.12 0.00 0.71 0.00 0.00 52.55 55.56 1x6i s ASP 50 Cb -0.15 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 41.37 1x6i s ASP 50 CO 0.53 -0.66 1.82 0.44 0.21 0.00 0.00 175.17 177.51 1x6i h ASP 51 N 1.55 0.58 -0.96 0.27 5.19 -1.96 -1.32 116.42 119.76 1x6i h ASP 51 Ca -0.49 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 55.97 1x6i h ASP 51 Cb 1.21 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.54 1x6i h ASP 51 CO 0.60 0.40 0.63 -0.65 -3.12 0.00 0.00 179.24 177.10 1x6i h PRO 52 N 0.70 1.14 -0.22 3.56 0.11 -1.99 0.23 132.00 135.54 1x6i h PRO 52 Ca 0.24 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1x6i h PRO 52 Cb 0.03 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1x6i h PRO 52 CO -0.11 0.76 0.05 -0.44 -0.21 0.00 0.00 178.00 178.05 1x6i h ASP 53 N 1.18 0.33 -0.72 -2.05 3.45 -1.80 -1.11 116.42 115.70 1x6i h ASP 53 Ca 0.39 -0.23 0.04 0.00 0.43 0.00 0.00 57.03 57.67 1x6i h ASP 53 Cb 0.07 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 38.70 1x6i h ASP 53 CO -0.13 0.47 0.43 -0.07 -1.57 0.00 0.00 179.24 178.38 1x6i h LEU 54 N 0.17 0.69 -0.17 1.55 3.38 -0.88 0.13 115.31 120.18 1x6i h LEU 54 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1x6i h LEU 54 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1x6i h LEU 54 CO 0.00 0.46 0.02 0.15 0.09 0.00 0.00 178.44 179.17 1x6i h PHE 55 N 0.83 0.31 -0.59 1.13 3.57 -0.92 0.16 116.94 121.43 1x6i h PHE 55 Ca 0.30 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.85 1x6i h PHE 55 Cb 0.09 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 1x6i h PHE 55 CO -0.05 0.46 0.21 -0.91 -2.23 0.00 0.00 178.31 175.79 1x6i h ASN 56 N 0.06 0.19 -0.23 0.41 2.35 -0.79 -1.49 115.58 116.09 1x6i h ASN 56 Ca 0.05 0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1x6i h ASN 56 Cb 0.33 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1x6i h ASN 56 CO 0.00 0.12 -0.35 -0.50 -1.65 0.00 0.00 177.43 175.05 1x6i h TRP 57 N 0.38 0.80 0.00 1.19 6.55 -0.77 0.12 115.95 124.22 1x6i h TRP 57 Ca 0.30 -0.27 -0.04 0.00 0.95 0.00 0.00 58.89 59.83 1x6i h TRP 57 Cb 0.37 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 1x6i h TRP 57 CO -0.18 1.02 -0.17 -0.07 -1.05 0.00 0.00 178.44 177.99 1x6i h LEU 58 N 0.35 0.00 -1.63 -4.49 3.38 -0.81 -2.08 115.31 110.03 1x6i h LEU 58 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1x6i h LEU 58 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1x6i h LEU 58 CO 0.08 0.17 0.00 0.23 0.09 0.00 0.00 178.44 179.01 1x6i n MET 59 N -3.59 2.09 -1.78 1.13 2.81 -0.57 -4.95 117.12 112.26 1x6i n MET 59 Ca -0.01 -1.62 -0.09 0.00 -1.81 0.00 0.00 57.70 54.17 1x6i n MET 59 Cb 0.31 -1.46 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 1x6i n MET 59 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1x6i n ASN 60 N 0.90 -3.44 -4.54 7.83 3.02 -0.66 -4.95 115.26 113.42 1x6i n ASN 60 Ca 0.17 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 1x6i n ASN 60 Cb 0.49 -2.30 -0.01 0.00 -0.61 0.00 0.00 39.78 37.35 1x6i n ASN 60 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1x6i s HIS 61 N -2.38 2.93 0.00 3.10 2.46 0.34 -4.86 115.29 116.88 1x6i s HIS 61 Ca 0.00 -1.61 0.00 0.00 0.47 0.00 0.00 55.06 53.92 1x6i s HIS 61 Cb 0.00 -4.62 0.00 0.00 -0.13 0.00 0.00 32.58 27.83 1x6i s HIS 61 CO 0.00 -1.71 0.00 0.41 -2.47 0.00 0.00 174.74 170.97 1x6i n GLY 62 N 5.34 0.61 3.65 1.59 0.00 -1.26 -4.49 105.19 110.63 1x6i n GLY 62 Ca 0.42 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.59 1x6i n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6i s LYS 63 N 0.00 1.21 0.41 1.61 -2.85 -1.26 -4.71 119.74 114.15 1x6i s LYS 63 Ca 0.00 -0.59 -0.24 0.00 -1.00 0.00 0.00 55.97 54.14 1x6i s LYS 63 Cb 0.00 0.46 -0.08 0.00 -2.06 0.00 0.00 37.83 36.15 1x6i s LYS 63 CO 0.00 -0.54 1.11 -1.25 0.10 0.00 0.00 175.35 174.77 1x6i s PRO 64 N -3.42 4.04 0.54 1.78 0.04 -1.26 -4.94 135.00 131.78 1x6i s PRO 64 Ca 0.08 1.67 0.31 0.00 0.04 0.00 0.00 61.00 63.10 1x6i s PRO 64 Cb -0.02 -2.56 1.50 0.00 0.04 0.00 0.00 34.50 33.46 1x6i s PRO 64 CO -0.02 -0.28 2.06 0.00 0.04 0.00 0.00 177.00 178.79 1x6i h ALA 65 N 2.45 1.14 -2.13 8.56 0.00 -2.01 -3.43 119.26 123.85 1x6i h ALA 65 Ca -0.49 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 53.74 1x6i h ALA 65 Cb 1.23 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1x6i h ALA 65 CO 0.62 0.12 0.46 0.34 0.00 0.00 0.00 179.25 180.79 1x6i s ASP 66 N -5.92 6.61 0.39 0.00 -1.08 -1.26 -4.94 116.67 110.47 1x6i s ASP 66 Ca -0.02 0.46 0.07 0.00 -0.52 0.00 0.00 52.55 52.54 1x6i s ASP 66 Cb 0.12 -2.42 0.80 0.00 -1.46 0.00 0.00 42.92 39.95 1x6i s ASP 66 CO 0.56 -0.77 2.00 0.00 0.52 0.00 0.00 175.17 177.48 1x6i h ALA 67 N 8.45 1.61 -0.44 3.66 0.00 -1.99 -0.40 119.26 130.14 1x6i h ALA 67 Ca -0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1x6i h ALA 67 Cb 1.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1x6i h ALA 67 CO 0.94 0.31 0.21 0.93 0.00 0.00 0.00 179.25 181.64 1x6i h GLU 68 N 0.49 0.64 -0.75 0.00 5.08 -1.96 -0.66 114.58 117.43 1x6i h GLU 68 Ca 0.12 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1x6i h GLU 68 Cb 0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1x6i h GLU 68 CO -0.02 0.56 0.23 -0.07 -1.00 0.00 0.00 179.01 178.71 1x6i h LEU 69 N 0.58 1.09 -0.32 1.33 3.38 -1.70 -1.52 115.31 118.15 1x6i h LEU 69 Ca 0.15 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1x6i h LEU 69 Cb 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1x6i h LEU 69 CO -0.02 1.01 0.18 -0.08 0.09 0.00 0.00 178.44 179.63 1x6i h GLU 70 N 1.12 0.37 -0.65 1.13 4.81 -0.88 0.22 114.58 120.69 1x6i h GLU 70 Ca 0.24 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1x6i h GLU 70 Cb 0.31 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1x6i h GLU 70 CO -0.01 0.24 0.36 1.98 -0.73 0.00 0.00 179.01 180.86 1x6i h MET 71 N 0.38 0.67 -0.29 1.92 4.05 -0.86 -1.07 114.93 119.72 1x6i h MET 71 Ca 0.13 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 1x6i h MET 71 Cb 0.00 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.65 1x6i h MET 71 CO -0.06 0.44 -0.29 1.98 0.23 0.00 0.00 176.91 179.21 1x6i h MET 72 N 0.69 0.71 -0.59 0.39 1.85 -0.91 -0.36 114.93 116.71 1x6i h MET 72 Ca 0.28 -0.38 0.07 0.00 -0.61 0.00 0.00 59.70 59.07 1x6i h MET 72 Cb 0.15 0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.13 1x6i h MET 72 CO -0.16 0.99 0.28 0.28 -0.40 0.00 0.00 176.91 177.89 1x6i h VAL 73 N 0.46 0.88 -0.27 -5.77 2.07 -0.73 -0.51 116.25 112.38 1x6i h VAL 73 Ca 0.05 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1x6i h VAL 73 Cb 0.86 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1x6i h VAL 73 CO 0.07 0.09 -0.14 0.03 0.02 0.00 0.00 177.57 177.65 1x6i h ARG 74 N 0.51 0.46 -0.34 1.57 3.08 -0.90 -1.80 114.38 116.97 1x6i h ARG 74 Ca 0.28 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1x6i h ARG 74 Cb 0.25 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1x6i h ARG 74 CO -0.22 0.60 0.03 1.25 -1.07 0.00 0.00 179.97 180.55 1x6i h LEU 75 N 0.43 0.56 -0.41 3.04 5.85 -0.43 -0.87 115.31 123.48 1x6i h LEU 75 Ca 0.08 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1x6i h LEU 75 Cb 0.50 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1x6i h LEU 75 CO 0.03 0.71 0.16 0.40 -0.34 0.00 0.00 178.44 179.40 1x6i h ILE 76 N 0.39 0.91 -0.14 4.05 2.04 -0.83 -0.93 117.51 123.00 1x6i h ILE 76 Ca 0.10 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1x6i h ILE 76 Cb 0.40 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1x6i h ILE 76 CO 0.01 0.06 0.08 1.56 0.00 0.00 0.00 178.15 179.86 1x6i h GLN 77 N 0.34 0.16 0.17 2.37 4.20 -1.16 -0.26 115.11 120.93 1x6i h GLN 77 Ca 0.18 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1x6i h GLN 77 Cb 0.14 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1x6i h GLN 77 CO -0.17 0.10 -0.13 1.15 -0.67 0.00 0.00 178.83 179.11 1x6i h THR 78 N 0.16 0.71 -0.65 -0.54 2.02 -0.93 -0.70 112.91 112.98 1x6i h THR 78 Ca 0.06 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 1x6i h THR 78 Cb 0.00 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1x6i h THR 78 CO -0.03 0.00 0.09 0.03 0.37 0.00 0.00 175.52 175.98 1x6i h ARG 79 N -0.31 1.09 -0.50 6.66 2.47 -1.06 -2.37 114.38 120.36 1x6i h ARG 79 Ca -0.01 -0.30 -0.11 0.00 -1.26 0.00 0.00 59.98 58.30 1x6i h ARG 79 Cb 0.28 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1x6i h ARG 79 CO -0.01 1.01 -0.14 -0.91 0.56 0.00 0.00 179.97 180.48 1x6i h ASN 80 N 1.02 0.95 -0.26 7.04 2.35 -0.88 -1.52 115.58 124.27 1x6i h ASN 80 Ca 0.20 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1x6i h ASN 80 Cb 0.46 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1x6i h ASN 80 CO 0.02 1.08 0.14 -0.09 -1.65 0.00 0.00 177.43 176.93 1x6i h ARG 81 N 0.84 0.29 0.00 0.81 2.43 -0.98 -1.54 114.38 116.23 1x6i h ARG 81 Ca 0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1x6i h ARG 81 Cb 0.68 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1x6i h ARG 81 CO 0.05 0.19 -0.10 0.93 -1.51 0.00 0.00 179.97 179.53 1x6i h GLU 82 N 0.30 0.00 0.00 0.20 5.08 -1.20 -3.22 114.58 115.74 1x6i h GLU 82 Ca 0.10 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 1x6i h GLU 82 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1x6i h GLU 82 CO -0.06 0.10 -1.94 -2.13 -1.00 0.00 0.00 179.01 173.99 1x6i n ARG 83 N -3.21 0.66 -1.52 2.33 0.63 -0.59 -5.00 116.66 109.95 1x6i n ARG 83 Ca 0.01 0.05 -0.26 0.00 -0.92 0.00 0.00 57.85 56.73 1x6i n ARG 83 Cb 0.40 -1.63 0.19 0.00 0.45 0.00 0.00 32.46 31.86 1x6i n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x6i n GLY 84 N 1.52 -1.69 3.73 5.14 0.00 -0.60 -4.96 105.19 108.33 1x6i n GLY 84 Ca -0.18 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1x6i n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6i s PRO 85 N -5.47 4.17 -0.48 1.61 0.04 -1.26 -4.96 135.00 128.65 1x6i s PRO 85 Ca 0.65 2.48 -0.23 0.00 0.04 0.00 0.00 61.00 63.94 1x6i s PRO 85 Cb -0.02 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.46 1x6i s PRO 85 CO 0.46 -0.62 0.79 0.08 0.04 0.00 0.00 177.00 177.75 1x6i s VAL 86 N 0.61 4.63 -0.16 -0.36 1.01 -1.26 -5.03 120.40 119.84 1x6i s VAL 86 Ca 0.67 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 1x6i s VAL 86 Cb -0.46 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 1x6i s VAL 86 CO 0.39 -0.81 0.04 0.00 0.00 0.00 0.00 175.10 174.72 1x6i s ALA 87 N 3.31 3.35 -2.47 5.51 0.00 -1.26 -5.30 121.76 124.91 1x6i s ALA 87 Ca 0.27 -0.76 0.28 0.00 0.00 0.00 0.00 51.96 51.76 1x6i s ALA 87 Cb -0.13 -1.81 1.10 0.00 0.00 0.00 0.00 23.12 22.27 1x6i s ALA 87 CO 0.20 0.26 1.77 0.44 0.00 0.00 0.00 175.76 178.43