#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2glm n SER 10 N 0.00 0.00 -3.96 1.08 3.41 -1.26 -4.79 113.62 108.10 2glm n SER 10 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 2glm n SER 10 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 2glm n SER 10 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2glm s GLN 11 N 0.00 1.64 -0.17 4.33 -0.21 -1.26 -2.64 119.66 121.34 2glm s GLN 11 Ca 0.00 -1.25 -0.02 0.00 0.02 0.00 0.00 55.36 54.11 2glm s GLN 11 Cb 0.00 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 2glm s GLN 11 CO 0.00 -0.70 -0.10 -0.06 -2.12 0.00 0.00 175.29 172.31 2glm s PHE 12 N 1.25 2.87 0.77 0.91 0.40 -1.05 -4.99 117.98 118.14 2glm s PHE 12 Ca -0.02 -0.88 -0.06 0.00 -0.60 0.00 0.00 56.93 55.37 2glm s PHE 12 Cb -0.19 -1.96 0.12 0.00 0.51 0.00 0.00 43.02 41.50 2glm s PHE 12 CO -0.08 -0.41 1.07 -0.06 0.70 0.00 0.00 175.22 176.43 2glm s PHE 13 N 0.91 2.10 0.38 0.36 0.40 -1.26 -1.69 117.98 119.18 2glm s PHE 13 Ca -0.02 0.13 0.18 0.00 -0.60 0.00 0.00 56.93 56.62 2glm s PHE 13 Cb -0.15 -3.33 1.12 0.00 0.51 0.00 0.00 43.02 41.17 2glm s PHE 13 CO -0.00 -1.80 1.72 0.97 0.70 0.00 0.00 175.22 176.82 2glm h ILE 14 N -0.80 0.43 -0.27 0.64 6.09 -1.90 0.14 117.51 121.84 2glm h ILE 14 Ca -0.41 -0.13 -0.11 0.00 -1.37 0.00 0.00 64.86 62.84 2glm h ILE 14 Cb 1.28 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 2glm h ILE 14 CO 0.47 0.07 -0.31 -0.33 -3.07 0.00 0.00 178.15 174.98 2glm h GLU 15 N 0.37 0.56 -0.38 2.19 3.07 -1.92 0.15 114.58 118.62 2glm h GLU 15 Ca 0.66 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 59.12 2glm h GLU 15 Cb 1.66 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.55 2glm h GLU 15 CO -0.39 0.81 -0.38 0.45 -1.40 0.00 0.00 179.01 178.09 2glm h HIS 16 N 0.48 1.08 -0.60 4.33 3.86 -1.14 -2.73 115.15 120.44 2glm h HIS 16 Ca 0.06 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 58.90 2glm h HIS 16 Cb 0.78 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 2glm h HIS 16 CO 0.03 1.14 0.18 0.82 0.86 0.00 0.00 177.93 180.96 2glm h ILE 17 N 0.74 1.23 -0.09 2.45 2.04 -0.85 -2.41 117.51 120.61 2glm h ILE 17 Ca 0.06 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2glm h ILE 17 Cb 0.97 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2glm h ILE 17 CO 0.09 0.31 -0.18 -0.07 0.00 0.00 0.00 178.15 178.30 2glm h LEU 18 N 0.87 0.14 0.00 1.44 3.38 -0.77 -1.40 115.31 118.98 2glm h LEU 18 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2glm h LEU 18 Cb 0.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2glm h LEU 18 CO -0.01 0.34 -0.13 0.00 0.09 0.00 0.00 178.44 178.73 2glm n GLN 19 N -4.26 0.01 -0.09 1.13 6.02 -0.93 -4.30 117.38 114.97 2glm n GLN 19 Ca -0.01 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 2glm n GLN 19 Cb 0.28 -1.51 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 2glm n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2glm n ILE 20 N -1.52 1.05 -3.00 5.09 2.08 -0.93 -4.45 119.36 117.69 2glm n ILE 20 Ca 0.07 -0.20 -0.34 0.00 0.56 0.00 0.00 62.75 62.84 2glm n ILE 20 Cb 0.34 -1.79 -0.06 0.00 -0.75 0.00 0.00 39.64 37.38 2glm n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2glm s LEU 21 N -7.06 4.11 0.27 1.39 1.43 -0.57 -4.85 118.68 113.39 2glm s LEU 21 Ca -0.25 1.49 0.22 0.00 -1.03 0.00 0.00 54.13 54.56 2glm s LEU 21 Cb 0.09 -4.12 0.10 0.00 0.03 0.00 0.00 46.19 42.29 2glm s LEU 21 CO 0.32 -0.19 1.22 1.55 0.23 0.00 0.00 176.35 179.48 2glm h PRO 22 N 2.47 0.00 -6.36 1.29 0.13 -1.88 -3.44 132.00 124.21 2glm h PRO 22 Ca -0.48 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 2glm h PRO 22 Cb 1.18 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 2glm h PRO 22 CO 0.64 0.04 -0.06 0.72 -0.23 0.00 0.00 178.00 179.11 2glm n HIS 23 N -2.85 0.73 -4.35 1.56 8.25 -1.26 -5.01 115.22 112.30 2glm n HIS 23 Ca 0.01 0.75 -0.21 0.00 -0.26 0.00 0.00 57.72 58.00 2glm n HIS 23 Cb 0.57 -2.16 -0.08 0.00 1.12 0.00 0.00 29.99 29.44 2glm n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2glm s ARG 24 N -1.45 1.81 0.29 -0.41 1.81 -1.26 -4.70 118.95 115.03 2glm s ARG 24 Ca 0.60 -2.07 -0.30 0.00 -1.72 0.00 0.00 55.73 52.25 2glm s ARG 24 Cb -0.74 0.06 -0.11 0.00 -0.45 0.00 0.00 34.95 33.72 2glm s ARG 24 CO 0.59 -0.61 1.48 -0.47 -0.68 0.00 0.00 175.30 175.61 2glm s TYR 25 N -3.38 2.87 -0.81 -0.53 6.14 -1.26 0.85 117.35 121.23 2glm s TYR 25 Ca 0.35 1.02 -0.00 0.00 0.64 0.00 0.00 57.07 59.08 2glm s TYR 25 Cb 0.02 -3.91 0.36 0.00 0.42 0.00 0.00 41.96 38.84 2glm s TYR 25 CO 0.24 -2.92 1.81 -0.35 0.64 0.00 0.00 175.55 174.97 2glm n PRO 26 N 1.80 3.33 -0.06 4.97 -0.04 -1.26 -4.94 135.00 138.80 2glm n PRO 26 Ca 0.05 -3.92 0.01 0.00 -0.04 0.00 0.00 63.50 59.61 2glm n PRO 26 Cb 0.39 -2.30 0.01 0.00 -0.04 0.00 0.00 33.50 31.57 2glm n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2glm n MET 27 N -0.44 1.16 -3.26 0.54 2.81 0.25 -4.96 117.12 113.22 2glm n MET 27 Ca 0.50 -1.09 -0.44 0.00 -1.81 0.00 0.00 57.70 54.86 2glm n MET 27 Cb 0.31 -0.76 -0.07 0.00 -0.71 0.00 0.00 33.22 31.99 2glm n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2glm s LEU 28 N -0.60 5.27 -0.39 4.03 2.96 -0.97 -4.66 118.68 124.32 2glm s LEU 28 Ca 0.03 -1.11 0.05 0.00 -0.22 0.00 0.00 54.13 52.88 2glm s LEU 28 Cb 0.02 -2.33 0.48 0.00 0.50 0.00 0.00 46.19 44.87 2glm s LEU 28 CO 0.00 -0.79 1.52 0.18 -1.32 0.00 0.00 176.35 175.94 2glm n LEU 29 N 5.75 5.35 -3.67 -0.68 4.77 -1.26 -4.88 117.00 122.38 2glm n LEU 29 Ca -0.09 -4.24 -0.27 0.00 -0.03 0.00 0.00 56.01 51.37 2glm n LEU 29 Cb 0.45 -0.62 -0.16 0.00 -2.33 0.00 0.00 43.42 40.75 2glm n LEU 29 CO 0.51 1.61 -0.35 -0.69 -1.33 0.00 0.00 177.39 177.14 2glm s VAL 30 N -4.10 0.26 0.03 4.08 1.01 -1.26 -4.56 120.40 115.86 2glm s VAL 30 Ca 0.52 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.06 2glm s VAL 30 Cb 0.44 -0.91 -0.24 0.00 0.00 0.00 0.00 36.38 35.67 2glm s VAL 30 CO 0.01 -0.33 0.94 0.44 0.00 0.00 0.00 175.10 176.16 2glm h ASP 31 N 8.31 0.11 -4.90 3.32 3.45 -1.53 -3.47 116.42 121.71 2glm h ASP 31 Ca -0.16 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.10 2glm h ASP 31 Cb 1.11 -0.04 -0.18 0.00 -0.56 0.00 0.00 39.33 39.66 2glm h ASP 31 CO 0.34 1.13 0.24 -0.60 -1.57 0.00 0.00 179.24 178.78 2glm s ARG 32 N -2.64 1.04 -0.23 3.56 3.52 -0.99 -3.25 118.95 119.95 2glm s ARG 32 Ca -0.04 0.14 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2glm s ARG 32 Cb 0.08 0.49 0.01 0.00 -1.56 0.00 0.00 34.95 33.97 2glm s ARG 32 CO 0.83 -0.35 -0.06 0.42 -0.81 0.00 0.00 175.30 175.33 2glm s ILE 33 N -1.55 3.08 -0.30 4.11 -1.09 -0.68 -1.15 121.20 123.60 2glm s ILE 33 Ca -0.08 -0.74 0.23 0.00 -2.23 0.00 0.00 60.65 57.82 2glm s ILE 33 Cb -0.00 -2.46 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 2glm s ILE 33 CO 0.06 0.34 1.05 0.35 -1.23 0.00 0.00 174.94 175.51 2glm n THR 34 N 4.74 0.53 -3.64 2.92 -2.24 0.78 -2.52 114.28 114.84 2glm n THR 34 Ca -0.18 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 2glm n THR 34 Cb 0.49 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 2glm n THR 34 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2glm s GLU 35 N -3.33 0.48 -0.06 -0.78 -1.05 -0.88 -4.67 118.70 108.40 2glm s GLU 35 Ca 0.00 0.58 -0.03 0.00 -0.15 0.00 0.00 54.97 55.38 2glm s GLU 35 Cb 0.11 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 2glm s GLU 35 CO 0.79 -0.06 0.13 -1.17 0.95 0.00 0.00 175.26 175.90 2glm s LEU 36 N 0.28 0.88 -0.24 1.83 0.20 -1.23 -0.44 118.68 119.96 2glm s LEU 36 Ca 0.03 0.26 0.02 0.00 0.69 0.00 0.00 54.13 55.13 2glm s LEU 36 Cb -0.05 0.32 0.06 0.00 -0.43 0.00 0.00 46.19 46.08 2glm s LEU 36 CO -0.07 -0.13 -0.09 -1.10 -0.29 0.00 0.00 176.35 174.66 2glm s GLN 37 N 1.00 2.03 -0.16 1.98 -1.52 -0.19 -4.76 119.66 118.04 2glm s GLN 37 Ca -0.08 -1.14 -0.40 0.00 -1.95 0.00 0.00 55.36 51.79 2glm s GLN 37 Cb -0.10 -2.71 -0.17 0.00 -0.22 0.00 0.00 33.01 29.80 2glm s GLN 37 CO -0.05 -0.55 1.52 0.00 -0.25 0.00 0.00 175.29 175.96 2glm n ALA 38 N 4.55 -1.00 -0.78 6.09 0.00 -1.26 -0.51 120.51 127.60 2glm n ALA 38 Ca -0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2glm n ALA 38 Cb 0.44 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2glm n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2glm n ASN 39 N 3.83 -0.94 0.01 0.00 4.13 -1.26 -4.81 115.26 116.21 2glm n ASN 39 Ca 0.24 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.49 2glm n ASN 39 Cb 0.12 -1.55 -0.00 0.00 -1.54 0.00 0.00 39.78 36.81 2glm n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2glm n GLN 40 N -1.75 0.03 -3.75 3.52 6.02 0.33 -4.61 117.38 117.17 2glm n GLN 40 Ca 0.00 0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 2glm n GLN 40 Cb 0.06 -0.28 -0.02 0.00 1.02 0.00 0.00 30.24 31.02 2glm n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2glm s LYS 41 N -1.33 1.62 -0.02 -1.09 -2.85 -1.07 -0.79 119.74 114.22 2glm s LYS 41 Ca -0.02 -0.86 -0.02 0.00 -1.00 0.00 0.00 55.97 54.07 2glm s LYS 41 Cb 0.00 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 2glm s LYS 41 CO 0.03 -0.73 0.06 -1.50 0.10 0.00 0.00 175.35 173.30 2glm s ILE 42 N -3.88 0.02 -0.19 3.79 2.07 0.12 -1.03 121.20 122.10 2glm s ILE 42 Ca 0.09 -0.15 -0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2glm s ILE 42 Cb -0.04 -0.14 0.05 0.00 0.13 0.00 0.00 42.46 42.46 2glm s ILE 42 CO 0.01 -0.08 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.23 2glm s VAL 43 N -0.23 1.18 0.05 4.00 1.01 0.41 -1.97 120.40 124.86 2glm s VAL 43 Ca -0.03 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2glm s VAL 43 Cb -0.02 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 2glm s VAL 43 CO 0.00 0.01 0.03 0.00 0.00 0.00 0.00 175.10 175.14 2glm n ALA 44 N 4.83 0.09 -3.53 5.51 0.00 -0.92 -0.16 120.51 126.34 2glm n ALA 44 Ca -0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 2glm n ALA 44 Cb 0.46 0.22 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 2glm n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2glm s TYR 45 N -1.96 -0.33 -0.04 0.00 1.13 -0.30 -0.44 117.35 115.40 2glm s TYR 45 Ca 0.04 0.18 0.01 0.00 -1.41 0.00 0.00 57.07 55.89 2glm s TYR 45 Cb 0.00 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.43 2glm s TYR 45 CO 0.03 -0.57 -0.04 0.21 -2.51 0.00 0.00 175.55 172.67 2glm s LYS 46 N -3.14 0.80 0.48 -3.49 2.20 -0.53 -1.30 119.74 114.76 2glm s LYS 46 Ca 0.06 -0.09 -0.20 0.00 -0.36 0.00 0.00 55.97 55.38 2glm s LYS 46 Cb -0.01 -0.83 -0.09 0.00 -1.51 0.00 0.00 37.83 35.40 2glm s LYS 46 CO -0.08 -0.09 1.02 -0.80 -0.36 0.00 0.00 175.35 175.04 2glm s ASN 47 N 0.96 6.46 -0.20 1.43 0.01 -1.26 -1.26 114.94 121.07 2glm s ASN 47 Ca -0.10 1.86 0.01 0.00 -0.71 0.00 0.00 52.86 53.91 2glm s ASN 47 Cb -0.14 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 38.99 2glm s ASN 47 CO -0.00 -0.70 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.10 2glm s ILE 48 N -2.07 2.27 0.16 0.60 -1.09 -0.14 -4.90 121.20 116.03 2glm s ILE 48 Ca 0.66 -1.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.10 2glm s ILE 48 Cb -0.14 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.64 2glm s ILE 48 CO 0.19 0.39 -0.12 0.28 -1.23 0.00 0.00 174.94 174.46 2glm s THR 49 N 1.27 1.38 0.41 2.92 -1.32 -1.26 0.14 115.64 119.18 2glm s THR 49 Ca 0.02 -2.06 0.19 0.00 -1.21 0.00 0.00 61.69 58.64 2glm s THR 49 Cb -0.15 -1.86 0.21 0.00 -1.51 0.00 0.00 72.50 69.19 2glm s THR 49 CO -0.10 -0.65 1.98 0.15 -2.21 0.00 0.00 174.62 173.79 2glm h PHE 50 N 2.83 0.00 0.00 9.09 3.57 -1.96 -3.25 116.94 127.22 2glm h PHE 50 Ca -0.38 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.12 2glm h PHE 50 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2glm h PHE 50 CO 0.67 0.21 0.00 -1.71 -2.23 0.00 0.00 178.31 175.25 2glm n ASN 51 N -3.97 2.99 -4.21 0.41 4.05 -1.26 -4.72 115.26 108.56 2glm n ASN 51 Ca -0.02 -1.80 -0.29 0.00 0.45 0.00 0.00 54.58 52.92 2glm n ASN 51 Cb 0.29 -0.64 -0.16 0.00 1.23 0.00 0.00 39.78 40.49 2glm n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2glm s GLU 52 N 0.93 2.22 0.25 1.20 2.02 -1.23 -5.04 118.70 119.04 2glm s GLU 52 Ca 0.02 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.19 2glm s GLU 52 Cb 0.01 -1.89 0.48 0.00 0.10 0.00 0.00 34.13 32.83 2glm s GLU 52 CO 0.00 0.31 1.68 0.22 0.02 0.00 0.00 175.26 177.49 2glm h ASP 53 N 6.17 0.01 -1.07 -0.19 -0.00 -1.94 -2.33 116.42 117.08 2glm h ASP 53 Ca -0.32 0.15 0.29 0.00 -0.00 0.00 0.00 57.03 57.15 2glm h ASP 53 Cb 1.18 0.20 -0.08 0.00 -0.00 0.00 0.00 39.33 40.63 2glm h ASP 53 CO 0.47 -0.05 0.72 -0.37 -0.00 0.00 0.00 179.24 180.01 2glm h VAL 54 N 0.26 0.49 0.00 2.25 -1.51 -1.96 0.30 116.25 116.09 2glm h VAL 54 Ca 0.42 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 2glm h VAL 54 Cb 0.73 0.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2glm h VAL 54 CO -0.52 0.05 0.00 0.49 -1.23 0.00 0.00 177.57 176.35 2glm n PHE 55 N -4.47 0.39 0.13 5.19 0.99 -0.87 -2.47 117.46 116.34 2glm n PHE 55 Ca 0.25 0.16 0.03 0.00 -0.00 0.00 0.00 57.45 57.89 2glm n PHE 55 Cb 0.99 -0.75 0.42 0.00 -1.00 0.00 0.00 39.48 39.14 2glm n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 2glm h ASN 56 N 0.00 0.20 0.00 4.37 2.35 -0.55 -3.31 115.58 118.65 2glm h ASN 56 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2glm h ASN 56 Cb 0.27 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2glm h ASN 56 CO 0.00 0.33 -0.13 0.61 -1.65 0.00 0.00 177.43 176.59 2glm n GLY 57 N -0.98 1.68 2.38 2.83 0.00 -1.03 -4.41 105.19 105.66 2glm n GLY 57 Ca -0.01 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 2glm n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2glm n HIS 58 N -0.55 -1.38 -4.42 1.61 -0.00 -1.06 -4.58 115.22 104.85 2glm n HIS 58 Ca 0.05 -2.95 -0.20 0.00 -0.00 0.00 0.00 57.72 54.61 2glm n HIS 58 Cb 0.54 0.30 -0.10 0.00 -0.00 0.00 0.00 29.99 30.73 2glm n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2glm s PHE 59 N -0.47 1.85 0.20 1.57 0.40 -0.00 -1.57 117.98 119.96 2glm s PHE 59 Ca 0.34 -1.03 -0.32 0.00 -0.60 0.00 0.00 56.93 55.32 2glm s PHE 59 Cb 0.17 -1.18 -0.11 0.00 0.51 0.00 0.00 43.02 42.41 2glm s PHE 59 CO -0.15 -0.09 1.63 -2.14 0.70 0.00 0.00 175.22 175.16 2glm s PRO 60 N -3.92 4.17 0.00 0.24 0.02 -1.26 -1.56 135.00 132.69 2glm s PRO 60 Ca 0.36 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2glm s PRO 60 Cb 0.08 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2glm s PRO 60 CO 0.15 -0.66 0.00 0.09 -0.33 0.00 0.00 177.00 176.25 2glm n ASN 61 N 3.72 0.00 -3.34 2.53 5.03 -1.26 -4.86 115.26 117.08 2glm n ASN 61 Ca 0.14 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.33 2glm n ASN 61 Cb 0.37 -0.55 -0.09 0.00 -1.02 0.00 0.00 39.78 38.49 2glm n ASN 61 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2glm n LYS 62 N -2.00 0.64 -1.67 3.52 0.00 -0.60 -5.10 118.16 112.96 2glm n LYS 62 Ca 0.00 -3.36 -0.43 0.00 0.00 0.00 0.00 58.31 54.52 2glm n LYS 62 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.45 2glm n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2glm s PRO 63 N -0.71 3.49 -0.21 1.64 0.04 -1.23 -0.82 135.00 137.20 2glm s PRO 63 Ca 0.34 2.17 -0.04 0.00 0.04 0.00 0.00 61.00 63.51 2glm s PRO 63 Cb 0.10 -4.28 0.07 0.00 0.04 0.00 0.00 34.50 30.42 2glm s PRO 63 CO -0.15 -1.70 0.08 0.42 0.04 0.00 0.00 177.00 175.69 2glm s ILE 64 N 6.90 0.26 0.01 0.56 1.01 -0.61 -4.53 121.20 124.80 2glm s ILE 64 Ca 0.94 -0.55 -0.35 0.00 0.00 0.00 0.00 60.65 60.69 2glm s ILE 64 Cb -0.35 -0.94 -0.14 0.00 0.01 0.00 0.00 42.46 41.04 2glm s ILE 64 CO 0.37 -0.37 1.66 0.33 0.00 0.00 0.00 174.94 176.93 2glm n PHE 65 N 5.14 2.14 -1.68 3.97 7.35 -0.23 -4.62 117.46 129.52 2glm n PHE 65 Ca -0.07 0.27 -0.45 0.00 -0.76 0.00 0.00 57.45 56.45 2glm n PHE 65 Cb 0.46 -2.54 -0.03 0.00 0.35 0.00 0.00 39.48 37.73 2glm n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2glm n PRO 66 N 4.57 2.21 -0.02 -7.13 -0.02 -1.26 -4.59 135.00 128.76 2glm n PRO 66 Ca 0.20 0.79 0.02 0.00 -2.02 0.00 0.00 63.50 62.49 2glm n PRO 66 Cb 0.25 -2.51 0.35 0.00 -0.02 0.00 0.00 33.50 31.57 2glm n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2glm h GLY 67 N 4.96 0.62 2.00 -1.23 0.00 -1.99 -1.58 103.07 105.85 2glm h GLY 67 Ca -0.45 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 2glm h GLY 67 CO 0.81 0.27 -0.24 -0.39 0.00 0.00 0.00 176.54 177.00 2glm h VAL 68 N 0.58 1.10 0.00 4.60 -1.51 -2.00 -1.85 116.25 117.18 2glm h VAL 68 Ca 0.15 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.76 2glm h VAL 68 Cb 0.10 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2glm h VAL 68 CO -0.02 0.23 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.42 2glm h LEU 69 N 0.00 0.00 -0.02 4.19 3.38 -1.67 -1.13 115.31 120.06 2glm h LEU 69 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2glm h LEU 69 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2glm h LEU 69 CO 0.03 0.07 -0.04 0.40 0.09 0.00 0.00 178.44 178.99 2glm h ILE 70 N 0.00 1.46 -0.41 1.22 2.04 -1.05 -0.31 117.51 120.45 2glm h ILE 70 Ca -0.00 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.49 2glm h ILE 70 Cb 1.01 2.37 -0.05 0.00 -0.74 0.00 0.00 36.82 39.42 2glm h ILE 70 CO 0.01 0.38 0.14 0.58 0.00 0.00 0.00 178.15 179.26 2glm h VAL 71 N -0.51 0.87 -0.65 1.67 2.07 -1.38 0.94 116.25 119.27 2glm h VAL 71 Ca -0.00 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2glm h VAL 71 Cb 0.64 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2glm h VAL 71 CO 0.01 0.06 0.38 -0.08 0.02 0.00 0.00 177.57 177.95 2glm h GLU 72 N 0.31 0.69 0.00 1.57 4.57 -1.18 0.23 114.58 120.77 2glm h GLU 72 Ca 0.19 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2glm h GLU 72 Cb 0.18 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2glm h GLU 72 CO -0.20 0.46 -0.16 0.78 -1.18 0.00 0.00 179.01 178.71 2glm h GLY 73 N 0.71 0.00 1.61 1.92 0.00 0.05 -0.18 103.07 107.18 2glm h GLY 73 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.38 2glm h GLY 73 CO -0.15 0.00 -0.96 -0.33 0.00 0.00 0.00 176.54 175.10 2glm h MET 74 N 0.00 0.34 -0.41 4.80 2.86 0.14 -2.70 114.93 119.96 2glm h MET 74 Ca -0.00 -0.39 -0.13 0.00 -2.06 0.00 0.00 59.70 57.12 2glm h MET 74 Cb 0.34 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2glm h MET 74 CO 0.02 1.08 -0.27 0.00 1.06 0.00 0.00 176.91 178.81 2glm h ALA 75 N 0.78 0.76 -0.54 6.32 0.00 0.49 -1.98 119.26 125.08 2glm h ALA 75 Ca -0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2glm h ALA 75 Cb 1.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2glm h ALA 75 CO 0.16 0.66 0.17 1.96 0.00 0.00 0.00 179.25 182.20 2glm h GLN 76 N 0.74 0.84 -0.66 0.00 4.20 -1.08 0.60 115.11 119.75 2glm h GLN 76 Ca 0.09 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2glm h GLN 76 Cb 0.82 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 2glm h GLN 76 CO 0.07 0.77 0.42 0.77 -0.67 0.00 0.00 178.83 180.18 2glm h SER 77 N 0.74 0.78 -0.61 1.46 0.02 -1.32 -0.14 113.55 114.49 2glm h SER 77 Ca 0.17 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2glm h SER 77 Cb 0.28 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2glm h SER 77 CO -0.01 0.59 0.13 1.23 -1.14 0.00 0.00 176.83 177.63 2glm h GLY 78 N 0.90 1.09 0.99 -3.77 0.00 -1.02 -1.32 103.07 99.94 2glm h GLY 78 Ca 0.24 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2glm h GLY 78 CO -0.05 0.63 0.30 -1.33 0.00 0.00 0.00 176.54 176.09 2glm h GLY 79 N 1.04 0.86 1.48 4.60 0.00 -0.08 0.24 103.07 111.22 2glm h GLY 79 Ca 0.20 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2glm h GLY 79 CO 0.00 0.38 0.01 -2.75 0.00 0.00 0.00 176.54 174.19 2glm h PHE 80 N 0.77 0.67 0.28 5.60 3.57 -0.75 -1.10 116.94 125.98 2glm h PHE 80 Ca 0.20 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2glm h PHE 80 Cb 0.07 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2glm h PHE 80 CO -0.01 0.64 -0.13 1.25 -2.23 0.00 0.00 178.31 177.83 2glm h LEU 81 N 0.61 -0.32 -0.30 0.59 5.85 -0.36 -0.07 115.31 121.32 2glm h LEU 81 Ca 0.13 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2glm h LEU 81 Cb 0.37 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2glm h LEU 81 CO 0.01 -0.03 0.15 0.00 -0.34 0.00 0.00 178.44 178.24 2glm h ALA 82 N 0.02 0.36 0.16 1.25 0.00 -0.43 -1.57 119.26 119.05 2glm h ALA 82 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2glm h ALA 82 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2glm h ALA 82 CO 0.06 -0.23 -0.07 0.35 0.00 0.00 0.00 179.25 179.36 2glm h PHE 83 N 0.32 -0.19 -0.53 0.00 3.57 -1.18 -2.72 116.94 116.20 2glm h PHE 83 Ca 0.12 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2glm h PHE 83 Cb 0.04 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2glm h PHE 83 CO -0.09 0.01 0.31 1.79 -2.23 0.00 0.00 178.31 178.10 2glm h THR 84 N -0.37 1.15 -0.96 4.41 1.35 -0.96 -1.37 112.91 116.16 2glm h THR 84 Ca -0.02 -0.34 0.04 0.00 -0.55 0.00 0.00 66.41 65.54 2glm h THR 84 Cb 0.29 0.41 -0.06 0.00 -1.73 0.00 0.00 68.15 67.07 2glm h THR 84 CO 0.04 0.16 0.62 0.28 -0.25 0.00 0.00 175.52 176.37 2glm h SER 85 N 0.72 1.04 0.32 5.36 0.02 -1.13 1.45 113.55 121.33 2glm h SER 85 Ca 0.19 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.81 2glm h SER 85 Cb -0.03 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 62.31 2glm h SER 85 CO -0.04 0.71 -1.40 -0.07 -1.14 0.00 0.00 176.83 174.90 2glm h LEU 86 N 1.21 0.77 -0.24 5.07 3.38 -1.10 -3.42 115.31 120.97 2glm h LEU 86 Ca 0.38 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2glm h LEU 86 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2glm h LEU 86 CO -0.12 1.62 0.00 0.79 0.09 0.00 0.00 178.44 180.82 2glm n TRP 87 N -3.69 0.00 -4.48 1.13 8.01 -0.57 -5.13 117.44 112.71 2glm n TRP 87 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 2glm n TRP 87 Cb 1.07 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.37 2glm n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2glm n GLY 88 N 0.23 -1.13 3.56 6.99 0.00 0.50 -4.28 105.19 111.05 2glm n GLY 88 Ca 0.00 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2glm n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2glm s PHE 89 N 0.00 2.03 -0.38 1.61 5.36 -1.26 -4.49 117.98 120.85 2glm s PHE 89 Ca 0.00 0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 2glm s PHE 89 Cb 0.00 -4.26 0.12 0.00 -0.34 0.00 0.00 43.02 38.54 2glm s PHE 89 CO 0.00 -1.85 0.18 0.34 -1.46 0.00 0.00 175.22 172.43 2glm s ASP 90 N 7.00 3.72 0.23 6.13 -1.08 -1.26 -5.01 116.67 126.39 2glm s ASP 90 Ca 0.62 -2.20 -0.07 0.00 -0.52 0.00 0.00 52.55 50.38 2glm s ASP 90 Cb -0.05 -0.89 0.29 0.00 -1.46 0.00 0.00 42.92 40.80 2glm s ASP 90 CO -0.02 -0.33 1.86 -0.65 0.52 0.00 0.00 175.17 176.55 2glm h PRO 91 N 7.28 0.96 0.18 4.34 0.11 -1.89 -1.57 132.00 141.42 2glm h PRO 91 Ca -0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2glm h PRO 91 Cb 0.97 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 2glm h PRO 91 CO 0.45 0.64 -0.10 1.49 -0.21 0.00 0.00 178.00 180.27 2glm h GLU 92 N 0.99 -0.26 -0.44 1.05 4.81 -1.95 -2.73 114.58 116.05 2glm h GLU 92 Ca 0.35 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.50 2glm h GLU 92 Cb 0.09 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2glm h GLU 92 CO -0.14 -0.17 -0.13 0.82 -0.73 0.00 0.00 179.01 178.66 2glm h ILE 93 N -0.27 1.26 -0.81 2.32 2.04 -1.96 -2.79 117.51 117.30 2glm h ILE 93 Ca -0.02 -1.21 0.16 0.00 1.00 0.00 0.00 64.86 64.79 2glm h ILE 93 Cb 0.21 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 2glm h ILE 93 CO 0.03 0.42 0.54 0.00 0.00 0.00 0.00 178.15 179.14 2glm h ALA 94 N 1.12 2.10 0.00 1.87 0.00 -1.10 0.58 119.26 123.83 2glm h ALA 94 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2glm h ALA 94 Cb 0.63 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2glm h ALA 94 CO 0.04 -0.33 -0.02 0.87 0.00 0.00 0.00 179.25 179.81 2glm h LYS 95 N 0.45 0.00 -0.25 0.00 1.57 -1.20 -2.70 116.57 114.46 2glm h LYS 95 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2glm h LYS 95 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2glm h LYS 95 CO -0.15 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.00 2glm n THR 96 N -3.16 0.37 -3.90 -0.16 -2.24 0.18 -4.86 114.28 100.52 2glm n THR 96 Ca -0.01 -0.68 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 2glm n THR 96 Cb 0.20 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 2glm n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2glm s LYS 97 N -1.41 2.52 -0.07 -0.78 -0.14 -1.02 -0.47 119.74 118.37 2glm s LYS 97 Ca 0.30 -1.48 -0.03 0.00 -1.36 0.00 0.00 55.97 53.40 2glm s LYS 97 Cb 0.18 -2.31 0.04 0.00 -1.68 0.00 0.00 37.83 34.07 2glm s LYS 97 CO 0.26 0.03 0.15 0.42 -0.76 0.00 0.00 175.35 175.46 2glm s ILE 98 N -2.40 -0.05 -0.56 2.17 1.01 0.12 -4.36 121.20 117.13 2glm s ILE 98 Ca 0.41 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2glm s ILE 98 Cb -0.03 -0.25 0.15 0.00 0.01 0.00 0.00 42.46 42.33 2glm s ILE 98 CO 0.25 0.07 0.37 -0.69 0.00 0.00 0.00 174.94 174.94 2glm s VAL 99 N 1.20 3.56 -0.29 2.92 1.01 -1.26 -0.86 120.40 126.68 2glm s VAL 99 Ca -0.09 -2.70 -0.14 0.00 0.00 0.00 0.00 61.98 59.05 2glm s VAL 99 Cb -0.12 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2glm s VAL 99 CO -0.06 -0.82 0.34 -0.47 0.00 0.00 0.00 175.10 174.09 2glm s TYR 100 N 0.29 3.23 -0.09 5.22 6.14 -0.88 -4.92 117.35 126.35 2glm s TYR 100 Ca 0.14 0.25 -0.28 0.00 0.64 0.00 0.00 57.07 57.83 2glm s TYR 100 Cb -0.21 -2.57 -0.02 0.00 0.42 0.00 0.00 41.96 39.58 2glm s TYR 100 CO -0.04 -0.27 0.91 -0.06 0.64 0.00 0.00 175.55 176.73 2glm s PHE 101 N 2.01 3.54 -0.15 4.97 0.40 -1.26 -0.64 117.98 126.85 2glm s PHE 101 Ca 0.13 1.48 -0.05 0.00 -0.60 0.00 0.00 56.93 57.89 2glm s PHE 101 Cb -0.16 -3.07 -0.24 0.00 0.51 0.00 0.00 43.02 40.06 2glm s PHE 101 CO 0.11 -0.12 0.23 -1.33 0.70 0.00 0.00 175.22 174.80 2glm n MET 102 N 4.59 0.74 -4.01 0.44 2.81 0.36 -4.97 117.12 117.08 2glm n MET 102 Ca 0.05 0.24 -0.09 0.00 -1.81 0.00 0.00 57.70 56.10 2glm n MET 102 Cb 0.50 -1.67 -0.09 0.00 -0.71 0.00 0.00 33.22 31.26 2glm n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2glm s THR 103 N -2.55 0.14 -0.03 2.03 -4.23 -1.14 -5.01 115.64 104.85 2glm s THR 103 Ca -0.25 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2glm s THR 103 Cb 0.07 -1.65 0.03 0.00 1.34 0.00 0.00 72.50 72.29 2glm s THR 103 CO 0.73 -0.63 0.01 -0.63 -0.54 0.00 0.00 174.62 173.55 2glm s ILE 104 N -3.94 0.12 0.13 2.99 -1.09 -1.26 -2.07 121.20 116.08 2glm s ILE 104 Ca 0.12 0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.64 2glm s ILE 104 Cb 0.06 -0.23 -0.04 0.00 -1.58 0.00 0.00 42.46 40.68 2glm s ILE 104 CO -0.06 0.13 0.08 -0.62 -1.23 0.00 0.00 174.94 173.24 2glm s ASP 105 N 1.04 0.29 -1.43 3.58 2.15 0.04 -4.94 116.67 117.40 2glm s ASP 105 Ca -0.09 -1.16 -0.07 0.00 0.43 0.00 0.00 52.55 51.66 2glm s ASP 105 Cb -0.13 0.31 0.01 0.00 -0.30 0.00 0.00 42.92 42.80 2glm s ASP 105 CO -0.02 -0.74 0.27 0.29 -0.17 0.00 0.00 175.17 174.80 2glm n LYS 106 N -0.10 -1.51 -3.36 4.34 4.01 -1.26 -1.45 118.16 118.83 2glm n LYS 106 Ca -0.06 0.20 -0.38 0.00 -0.51 0.00 0.00 58.31 57.56 2glm n LYS 106 Cb 0.63 -3.71 -0.07 0.00 -0.51 0.00 0.00 35.03 31.37 2glm n LYS 106 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2glm s VAL 107 N -4.08 5.20 -0.02 -0.18 1.01 -1.26 -3.83 120.40 117.24 2glm s VAL 107 Ca 0.11 0.82 0.04 0.00 0.00 0.00 0.00 61.98 62.94 2glm s VAL 107 Cb -0.05 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2glm s VAL 107 CO 0.96 0.29 -0.12 -0.54 0.00 0.00 0.00 175.10 175.69 2glm s LYS 108 N 0.94 1.16 -0.23 2.72 -0.14 -0.84 -4.96 119.74 118.39 2glm s LYS 108 Ca 0.22 -0.44 -0.01 0.00 -1.36 0.00 0.00 55.97 54.38 2glm s LYS 108 Cb -0.15 -1.08 0.02 0.00 -1.68 0.00 0.00 37.83 34.94 2glm s LYS 108 CO 0.08 0.22 -0.09 -0.06 -0.76 0.00 0.00 175.35 174.74 2glm s PHE 109 N -0.07 2.99 -0.23 3.18 0.40 -1.26 -1.01 117.98 121.98 2glm s PHE 109 Ca 0.01 -1.46 -0.06 0.00 -0.60 0.00 0.00 56.93 54.82 2glm s PHE 109 Cb -0.07 -2.04 -0.18 0.00 0.51 0.00 0.00 43.02 41.24 2glm s PHE 109 CO 0.00 -0.71 -0.08 0.54 0.70 0.00 0.00 175.22 175.67 2glm n ARG 110 N 4.68 0.65 -3.78 0.44 1.74 0.15 -4.99 116.66 115.56 2glm n ARG 110 Ca -0.18 0.25 -0.14 0.00 -0.77 0.00 0.00 57.85 57.01 2glm n ARG 110 Cb 0.48 -1.58 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 2glm n ARG 110 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2glm s ILE 111 N -2.51 -0.04 0.65 0.55 2.07 -1.19 -5.06 121.20 115.67 2glm s ILE 111 Ca -0.33 0.15 -0.17 0.00 -1.41 0.00 0.00 60.65 58.89 2glm s ILE 111 Cb 0.10 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.50 2glm s ILE 111 CO 0.61 0.06 0.83 -0.81 -1.91 0.00 0.00 174.94 173.72 2glm n PRO 112 N 3.92 0.62 -4.45 3.50 -0.04 -1.26 -4.79 135.00 132.49 2glm n PRO 112 Ca -0.24 0.26 -0.34 0.00 -0.04 0.00 0.00 63.50 63.14 2glm n PRO 112 Cb 0.53 -2.06 -0.12 0.00 -0.04 0.00 0.00 33.50 31.81 2glm n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2glm s VAL 113 N -1.70 3.83 0.19 0.52 1.01 -1.26 -5.06 120.40 117.93 2glm s VAL 113 Ca 0.73 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2glm s VAL 113 Cb -0.39 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2glm s VAL 113 CO 0.50 0.51 0.07 0.42 0.00 0.00 0.00 175.10 176.60 2glm s THR 114 N 0.17 0.39 0.11 3.92 -4.23 -1.26 -1.07 115.64 113.67 2glm s THR 114 Ca -0.02 -1.97 -0.36 0.00 -1.18 0.00 0.00 61.69 58.16 2glm s THR 114 Cb -0.14 -2.33 -0.16 0.00 1.34 0.00 0.00 72.50 71.22 2glm s THR 114 CO 0.03 -0.24 1.42 -2.65 -0.54 0.00 0.00 174.62 172.64 2glm n PRO 115 N -0.28 1.49 0.00 3.99 -0.02 -1.26 -1.39 135.00 137.53 2glm n PRO 115 Ca -0.03 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2glm n PRO 115 Cb 0.65 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2glm n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2glm n GLY 116 N 2.84 0.61 3.83 -1.23 0.00 0.37 -4.92 105.19 106.69 2glm n GLY 116 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2glm n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2glm s ASP 117 N -1.97 6.94 -0.49 1.61 -0.00 -0.48 -4.90 116.67 117.37 2glm s ASP 117 Ca 0.00 1.25 -0.13 0.00 -0.00 0.00 0.00 52.55 53.67 2glm s ASP 117 Cb 0.00 -2.35 0.11 0.00 -0.00 0.00 0.00 42.92 40.68 2glm s ASP 117 CO 0.00 0.07 0.40 -0.60 -0.00 0.00 0.00 175.17 175.04 2glm s ARG 118 N -1.97 2.76 -0.74 8.23 3.52 -1.26 -0.96 118.95 128.52 2glm s ARG 118 Ca 0.40 -1.66 -0.25 0.00 -0.13 0.00 0.00 55.73 54.10 2glm s ARG 118 Cb -0.16 -4.09 0.05 0.00 -1.56 0.00 0.00 34.95 29.19 2glm s ARG 118 CO 0.20 -1.20 1.20 -1.17 -0.81 0.00 0.00 175.30 173.52 2glm s LEU 119 N 1.50 3.56 -0.20 -0.88 2.96 -0.39 -4.37 118.68 120.87 2glm s LEU 119 Ca 0.04 -0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 53.02 2glm s LEU 119 Cb -0.27 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 2glm s LEU 119 CO 0.02 -1.69 0.67 -0.70 -1.32 0.00 0.00 176.35 173.33 2glm s GLU 120 N 5.15 4.22 -0.16 1.98 2.12 0.10 -1.46 118.70 130.66 2glm s GLU 120 Ca 0.32 0.69 -0.16 0.00 0.36 0.00 0.00 54.97 56.19 2glm s GLU 120 Cb -0.10 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2glm s GLU 120 CO 0.11 -0.27 0.37 0.71 -0.54 0.00 0.00 175.26 175.65 2glm s TYR 121 N 1.99 3.46 -0.26 5.30 1.51 0.41 0.90 117.35 130.66 2glm s TYR 121 Ca 0.30 0.69 0.03 0.00 -1.01 0.00 0.00 57.07 57.08 2glm s TYR 121 Cb -0.16 -2.45 0.06 0.00 -0.11 0.00 0.00 41.96 39.31 2glm s TYR 121 CO 0.11 0.16 -0.09 -1.01 -1.11 0.00 0.00 175.55 173.61 2glm s HIS 122 N 0.70 3.13 0.04 2.71 3.76 0.27 -2.16 115.29 123.74 2glm s HIS 122 Ca 0.20 -2.27 0.04 0.00 -0.15 0.00 0.00 55.06 52.89 2glm s HIS 122 Cb -0.14 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.60 2glm s HIS 122 CO 0.07 -0.87 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.46 2glm s LEU 123 N 1.14 2.19 0.09 0.89 1.43 -0.83 -0.23 118.68 123.36 2glm s LEU 123 Ca -0.07 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2glm s LEU 123 Cb -0.20 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 2glm s LEU 123 CO -0.06 -0.02 -0.06 -1.83 0.23 0.00 0.00 176.35 174.61 2glm s GLU 124 N -1.24 0.77 -0.47 1.70 -1.05 -0.28 0.16 118.70 118.29 2glm s GLU 124 Ca -0.01 -1.24 -0.28 0.00 -0.15 0.00 0.00 54.97 53.29 2glm s GLU 124 Cb -0.08 -0.18 0.03 0.00 -0.44 0.00 0.00 34.13 33.45 2glm s GLU 124 CO 0.01 -0.02 1.08 0.08 0.95 0.00 0.00 175.26 177.36 2glm s VAL 125 N -3.32 4.28 0.10 1.83 1.01 0.03 -1.56 120.40 122.78 2glm s VAL 125 Ca 0.08 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.21 2glm s VAL 125 Cb 0.03 -4.56 -0.22 0.00 0.00 0.00 0.00 36.38 31.64 2glm s VAL 125 CO -0.04 -0.96 1.21 -0.07 0.00 0.00 0.00 175.10 175.23 2glm h LEU 126 N 11.03 0.03 -7.00 3.92 3.38 -0.49 -3.48 115.31 122.71 2glm h LEU 126 Ca -0.23 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.78 2glm h LEU 126 Cb 1.06 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.55 2glm h LEU 126 CO 1.10 1.03 0.52 -0.75 0.09 0.00 0.00 178.44 180.43 2glm s LYS 127 N -2.70 0.53 -0.11 1.13 2.20 -0.79 -4.99 119.74 115.00 2glm s LYS 127 Ca 0.00 0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.93 2glm s LYS 127 Cb 0.10 0.25 0.05 0.00 -1.51 0.00 0.00 37.83 36.72 2glm s LYS 127 CO 0.83 -0.12 0.12 -1.58 -0.36 0.00 0.00 175.35 174.24 2glm s HIS 128 N -0.42 -0.03 -0.28 4.03 5.65 -1.26 0.09 115.29 123.06 2glm s HIS 128 Ca 0.01 0.22 -0.03 0.00 0.25 0.00 0.00 55.06 55.51 2glm s HIS 128 Cb -0.03 -0.45 0.09 0.00 -1.18 0.00 0.00 32.58 31.02 2glm s HIS 128 CO -0.03 -0.36 0.11 0.15 -0.65 0.00 0.00 174.74 173.97 2glm s LYS 129 N 2.22 0.34 5.91 2.88 -0.14 -0.55 -5.04 119.74 125.37 2glm s LYS 129 Ca 0.04 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 2glm s LYS 129 Cb -0.14 -1.48 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 2glm s LYS 129 CO -0.07 -0.96 0.00 0.41 -0.76 0.00 0.00 175.35 173.97 2glm n GLY 130 N 5.14 1.85 0.02 -3.33 0.00 -1.26 -2.47 105.19 105.14 2glm n GLY 130 Ca -0.05 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.55 2glm n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2glm n MET 131 N 13.04 0.03 -3.28 1.61 2.81 -1.26 -4.74 117.12 125.33 2glm n MET 131 Ca 0.00 0.14 -0.39 0.00 -1.81 0.00 0.00 57.70 55.63 2glm n MET 131 Cb 0.00 -1.55 -0.08 0.00 -0.71 0.00 0.00 33.22 30.88 2glm n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2glm s ILE 132 N -3.03 5.11 -0.03 2.02 -1.09 -1.03 0.31 121.20 123.46 2glm s ILE 132 Ca 0.10 0.83 0.07 0.00 -2.23 0.00 0.00 60.65 59.43 2glm s ILE 132 Cb 0.14 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2glm s ILE 132 CO 0.43 0.13 -0.24 0.26 -1.23 0.00 0.00 174.94 174.29 2glm s TRP 133 N 2.02 2.38 -0.17 3.97 0.52 0.41 -1.48 118.94 126.60 2glm s TRP 133 Ca 0.21 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.91 2glm s TRP 133 Cb -0.15 -1.52 0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2glm s TRP 133 CO 0.09 -0.02 -0.12 -1.14 0.02 0.00 0.00 176.95 175.78 2glm s GLN 134 N -0.60 2.17 0.31 4.98 0.74 0.11 -0.20 119.66 127.17 2glm s GLN 134 Ca 0.10 -0.65 0.10 0.00 0.05 0.00 0.00 55.36 54.95 2glm s GLN 134 Cb -0.10 -2.21 -0.05 0.00 1.10 0.00 0.00 33.01 31.75 2glm s GLN 134 CO -0.01 -0.31 -0.07 0.14 -0.55 0.00 0.00 175.29 174.50 2glm s VAL 135 N 1.46 2.65 0.05 1.34 -7.23 0.35 0.28 120.40 119.31 2glm s VAL 135 Ca 0.03 -2.13 -0.27 0.00 -1.81 0.00 0.00 61.98 57.81 2glm s VAL 135 Cb -0.14 -2.64 0.08 0.00 0.56 0.00 0.00 36.38 34.24 2glm s VAL 135 CO -0.10 -0.28 0.71 -0.83 -0.31 0.00 0.00 175.10 174.29 2glm s GLY 136 N -3.63 -0.55 0.00 2.32 0.00 -0.60 -0.51 107.32 104.35 2glm s GLY 136 Ca 0.32 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.96 2glm s GLY 136 CO 0.18 0.45 0.00 0.61 0.00 0.00 0.00 173.10 174.33 2glm n GLY 137 N 0.03 -0.69 3.24 0.20 0.00 -0.85 -1.12 105.19 106.00 2glm n GLY 137 Ca -0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 2glm n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2glm s THR 138 N -4.00 0.07 -0.13 2.61 -4.23 0.68 -2.25 115.64 108.39 2glm s THR 138 Ca 0.00 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 2glm s THR 138 Cb 0.00 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 2glm s THR 138 CO 0.00 -0.33 -0.18 0.00 -0.54 0.00 0.00 174.62 173.58 2glm s ALA 139 N -4.03 2.42 0.07 3.99 0.00 0.00 0.94 121.76 125.15 2glm s ALA 139 Ca 0.23 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.29 2glm s ALA 139 Cb 0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2glm s ALA 139 CO 0.03 0.17 -0.19 -0.65 0.00 0.00 0.00 175.76 175.12 2glm s GLN 140 N 0.50 1.13 -0.25 0.00 -0.21 0.26 -1.13 119.66 119.96 2glm s GLN 140 Ca -0.12 -1.01 -0.00 0.00 0.02 0.00 0.00 55.36 54.25 2glm s GLN 140 Cb -0.16 -1.28 0.07 0.00 1.00 0.00 0.00 33.01 32.64 2glm s GLN 140 CO 0.05 0.31 0.01 0.08 -2.12 0.00 0.00 175.29 173.61 2glm s VAL 141 N -1.03 1.18 -1.16 1.09 1.01 -0.62 0.03 120.40 120.90 2glm s VAL 141 Ca 0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 2glm s VAL 141 Cb -0.09 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2glm s VAL 141 CO 0.03 -0.28 0.98 -0.67 0.00 0.00 0.00 175.10 175.15 2glm n ASP 142 N 4.78 -2.66 0.00 3.32 2.03 -1.26 -2.80 116.55 119.95 2glm n ASP 142 Ca -0.08 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.65 2glm n ASP 142 Cb 0.44 -4.88 0.00 0.00 -0.72 0.00 0.00 41.12 35.96 2glm n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2glm n GLY 143 N -1.25 2.97 3.77 0.27 0.00 -1.26 -4.99 105.19 104.71 2glm n GLY 143 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2glm n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2glm s LYS 144 N 0.00 4.18 -0.15 1.61 1.02 -1.12 -5.03 119.74 120.24 2glm s LYS 144 Ca 0.00 0.45 -0.29 0.00 0.02 0.00 0.00 55.97 56.15 2glm s LYS 144 Cb 0.00 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2glm s LYS 144 CO 0.00 0.39 1.36 0.08 -0.92 0.00 0.00 175.35 176.26 2glm s VAL 145 N -0.13 4.11 -0.13 3.17 1.01 -1.26 -1.59 120.40 125.58 2glm s VAL 145 Ca 0.25 1.33 0.19 0.00 0.00 0.00 0.00 61.98 63.76 2glm s VAL 145 Cb -0.16 -3.89 -0.29 0.00 0.00 0.00 0.00 36.38 32.05 2glm s VAL 145 CO 0.12 -0.15 0.47 1.33 0.00 0.00 0.00 175.10 176.87 2glm n VAL 146 N 5.49 0.00 -3.50 2.92 0.24 -0.29 -4.61 118.33 118.58 2glm n VAL 146 Ca 0.15 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 2glm n VAL 146 Cb 0.45 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 2glm n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2glm s ALA 147 N -3.26 -1.79 0.10 2.33 0.00 -1.10 -0.67 121.76 117.38 2glm s ALA 147 Ca -0.05 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 2glm s ALA 147 Cb 0.12 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2glm s ALA 147 CO 0.79 -0.59 0.00 -1.83 0.00 0.00 0.00 175.76 174.14 2glm s GLU 148 N -2.58 0.80 -0.28 0.00 -1.05 -0.18 -0.82 118.70 114.59 2glm s GLU 148 Ca 0.00 -1.34 -0.28 0.00 -0.15 0.00 0.00 54.97 53.20 2glm s GLU 148 Cb -0.01 0.13 0.19 0.00 -0.44 0.00 0.00 34.13 34.00 2glm s GLU 148 CO -0.05 -0.16 1.37 0.00 0.95 0.00 0.00 175.26 177.37 2glm s ALA 149 N -3.91 -2.14 -0.13 -0.84 0.00 -0.96 -2.00 121.76 111.79 2glm s ALA 149 Ca 0.15 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.94 2glm s ALA 149 Cb 0.07 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2glm s ALA 149 CO -0.04 -0.20 -0.13 -1.21 0.00 0.00 0.00 175.76 174.18 2glm s GLU 150 N -0.74 3.36 0.04 0.00 2.02 -0.53 -2.00 118.70 120.85 2glm s GLU 150 Ca 0.08 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.42 2glm s GLU 150 Cb -0.02 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 2glm s GLU 150 CO -0.10 0.22 -0.12 -0.51 0.02 0.00 0.00 175.26 174.78 2glm s LEU 151 N 0.33 2.18 -0.06 1.80 1.02 0.33 -0.78 118.68 123.50 2glm s LEU 151 Ca -0.11 -0.45 0.05 0.00 0.02 0.00 0.00 54.13 53.64 2glm s LEU 151 Cb -0.16 -0.47 -0.00 0.00 0.02 0.00 0.00 46.19 45.58 2glm s LEU 151 CO 0.06 -0.02 -0.20 -0.75 0.02 0.00 0.00 176.35 175.46 2glm s LYS 152 N -1.17 2.17 0.20 1.70 2.20 -0.88 -0.50 119.74 123.46 2glm s LYS 152 Ca -0.01 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 2glm s LYS 152 Cb -0.08 -1.82 -0.05 0.00 -1.51 0.00 0.00 37.83 34.38 2glm s LYS 152 CO 0.01 0.26 -0.00 0.00 -0.36 0.00 0.00 175.35 175.25 2glm s ALA 153 N 0.08 1.55 -0.10 3.13 0.00 0.72 -0.49 121.76 126.65 2glm s ALA 153 Ca -0.07 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.25 2glm s ALA 153 Cb -0.13 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.52 2glm s ALA 153 CO 0.04 -0.29 -0.14 1.41 0.00 0.00 0.00 175.76 176.78 2glm s MET 154 N -3.89 2.08 0.27 0.00 1.75 0.19 -0.45 119.30 119.25 2glm s MET 154 Ca 0.26 -0.52 -0.27 0.00 -1.25 0.00 0.00 55.69 53.91 2glm s MET 154 Cb 0.06 -1.76 -0.09 0.00 2.84 0.00 0.00 34.83 35.87 2glm s MET 154 CO 0.06 -0.03 0.91 0.42 -0.65 0.00 0.00 175.02 175.73 2glm s ILE 155 N 0.90 4.19 0.28 10.11 -1.09 0.15 -2.07 121.20 133.67 2glm s ILE 155 Ca -0.09 1.89 -0.21 0.00 -2.23 0.00 0.00 60.65 60.01 2glm s ILE 155 Cb -0.15 -4.15 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 2glm s ILE 155 CO 0.00 0.33 0.77 0.00 -1.23 0.00 0.00 174.94 174.82 2glm s ALA 156 N -1.38 -1.22 0.09 9.38 0.00 -0.04 -4.84 121.76 123.75 2glm s ALA 156 Ca 0.44 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2glm s ALA 156 Cb -0.22 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.64 2glm s ALA 156 CO 0.27 -1.03 1.09 -1.21 0.00 0.00 0.00 175.76 174.88 2glm s GLU 157 N -3.56 4.54 1.16 0.00 0.41 -1.26 0.14 118.70 120.13 2glm s GLU 157 Ca 0.12 1.64 -0.17 0.00 -0.41 0.00 0.00 54.97 56.15 2glm s GLU 157 Cb -0.05 -3.35 0.27 0.00 -1.78 0.00 0.00 34.13 29.21 2glm s GLU 157 CO 0.07 -0.05 1.09 0.50 -0.49 0.00 0.00 175.26 176.38 2glm s ARG 158 N 0.48 -0.88 0.00 1.61 3.52 0.38 -4.71 118.95 119.35 2glm s ARG 158 Ca 0.53 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.25 2glm s ARG 158 Cb -0.27 -1.62 0.00 0.00 -1.56 0.00 0.00 34.95 31.50 2glm s ARG 158 CO 0.31 -3.52 0.00 0.39 -0.81 0.00 0.00 175.30 171.67