#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2glm n GLN 9 N 0.00 -3.70 0.00 1.96 6.02 -1.26 -5.00 117.38 115.40 2glm n GLN 9 Ca 0.00 -1.25 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 2glm n GLN 9 Cb 0.00 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2glm n GLN 9 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2glm n SER 10 N -4.96 0.00 -3.93 1.08 2.88 -1.26 -4.81 113.62 102.61 2glm n SER 10 Ca 0.11 -0.09 -0.31 0.00 -1.33 0.00 0.00 58.87 57.26 2glm n SER 10 Cb 0.47 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.79 2glm n SER 10 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2glm s GLN 11 N 0.00 1.41 0.00 -1.46 2.00 -1.26 -2.90 119.66 117.45 2glm s GLN 11 Ca 0.00 -1.87 0.05 0.00 -2.00 0.00 0.00 55.36 51.54 2glm s GLN 11 Cb 0.00 -2.94 -0.03 0.00 0.80 0.00 0.00 33.01 30.84 2glm s GLN 11 CO 0.00 -0.99 -0.13 -0.06 -0.50 0.00 0.00 175.29 173.60 2glm s PHE 12 N 0.79 2.71 0.48 1.67 0.40 -0.92 -5.00 117.98 118.11 2glm s PHE 12 Ca 0.12 -0.16 0.07 0.00 -0.60 0.00 0.00 56.93 56.36 2glm s PHE 12 Cb -0.20 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.77 2glm s PHE 12 CO -0.09 0.27 0.36 -0.06 0.70 0.00 0.00 175.22 176.40 2glm s PHE 13 N -0.89 2.16 0.44 0.36 0.40 -1.26 -1.05 117.98 118.13 2glm s PHE 13 Ca 0.14 -0.68 0.26 0.00 -0.60 0.00 0.00 56.93 56.05 2glm s PHE 13 Cb -0.11 -2.02 1.29 0.00 0.51 0.00 0.00 43.02 42.69 2glm s PHE 13 CO 0.05 -0.26 1.73 0.97 0.70 0.00 0.00 175.22 178.40 2glm h ILE 14 N 0.95 0.37 -0.61 0.64 6.09 -1.86 0.54 117.51 123.63 2glm h ILE 14 Ca -0.39 -0.08 -0.08 0.00 -1.37 0.00 0.00 64.86 62.94 2glm h ILE 14 Cb 1.28 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 2glm h ILE 14 CO 0.59 0.04 0.06 1.05 -3.07 0.00 0.00 178.15 176.82 2glm h GLU 15 N 0.23 1.03 -0.02 2.19 4.11 -1.94 0.14 114.58 120.31 2glm h GLU 15 Ca 0.67 -0.28 -0.25 0.00 0.07 0.00 0.00 59.36 59.56 2glm h GLU 15 Cb 2.01 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 31.16 2glm h GLU 15 CO -0.28 0.97 -0.97 0.45 0.07 0.00 0.00 179.01 179.25 2glm h HIS 16 N 0.96 1.02 -0.88 2.06 3.86 -0.43 -3.12 115.15 118.62 2glm h HIS 16 Ca 0.18 -0.54 0.01 0.00 -1.16 0.00 0.00 60.37 58.86 2glm h HIS 16 Cb 0.47 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 2glm h HIS 16 CO 0.03 1.37 0.58 0.82 0.86 0.00 0.00 177.93 181.60 2glm h ILE 17 N 0.37 1.23 -0.52 2.45 2.04 -0.55 -1.84 117.51 120.69 2glm h ILE 17 Ca -0.11 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2glm h ILE 17 Cb 1.62 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2glm h ILE 17 CO 0.19 0.22 0.30 -0.07 0.00 0.00 0.00 178.15 178.79 2glm h LEU 18 N 1.19 0.62 -0.12 1.44 -0.00 -0.75 -1.36 115.31 116.33 2glm h LEU 18 Ca 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 2glm h LEU 18 Cb -0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.37 2glm h LEU 18 CO -0.07 0.48 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 2glm n GLN 19 N -4.42 0.24 -0.07 1.13 6.02 -0.73 -4.32 117.38 115.22 2glm n GLN 19 Ca 0.05 0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 57.12 2glm n GLN 19 Cb 0.08 -1.80 -0.05 0.00 1.02 0.00 0.00 30.24 29.49 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 -2.22 0.80 -2.97 5.09 2.08 -0.96 -4.40 119.36 116.78 2glm n ILE 20 Ca 0.05 -0.21 -0.33 0.00 0.56 0.00 0.00 62.75 62.81 2glm n ILE 20 Cb 0.39 -1.65 -0.07 0.00 -0.75 0.00 0.00 39.64 37.56 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 -6.73 4.07 0.04 1.39 1.43 -0.55 -4.84 118.68 113.48 2glm s LEU 21 Ca -0.20 1.51 0.26 0.00 -1.03 0.00 0.00 54.13 54.67 2glm s LEU 21 Cb 0.08 -4.21 0.76 0.00 0.03 0.00 0.00 46.19 42.84 2glm s LEU 21 CO 0.26 -0.23 1.61 -0.81 0.23 0.00 0.00 176.35 177.41 2glm n PRO 22 N -0.28 0.07 -2.03 1.29 -0.04 -1.26 -4.76 135.00 127.99 2glm n PRO 22 Ca 0.04 0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 2glm n PRO 22 Cb 0.53 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2glm n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2glm s HIS 23 N -3.04 2.73 0.34 0.54 3.76 -1.26 -5.04 115.29 113.33 2glm s HIS 23 Ca 0.11 1.41 0.05 0.00 -0.15 0.00 0.00 55.06 56.49 2glm s HIS 23 Cb 0.17 -3.66 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 2glm s HIS 23 CO 0.64 -2.17 0.21 1.03 -0.85 0.00 0.00 174.74 173.60 2glm s ARG 24 N -2.41 1.76 0.33 1.40 1.81 -1.26 -4.64 118.95 115.94 2glm s ARG 24 Ca 0.60 -2.03 -0.29 0.00 -1.72 0.00 0.00 55.73 52.29 2glm s ARG 24 Cb -0.37 -0.01 -0.11 0.00 -0.45 0.00 0.00 34.95 34.01 2glm s ARG 24 CO 0.47 -0.56 1.54 -0.47 -0.68 0.00 0.00 175.30 175.60 2glm s TYR 25 N -3.43 2.69 -0.63 -0.53 5.04 -1.26 0.13 117.35 119.36 2glm s TYR 25 Ca 0.35 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 2glm s TYR 25 Cb 0.03 -4.04 0.47 0.00 0.35 0.00 0.00 41.96 38.77 2glm s TYR 25 CO 0.22 -3.28 1.97 -0.35 -1.34 0.00 0.00 175.55 172.77 2glm n PRO 26 N 1.41 2.72 0.00 4.97 -0.04 -1.26 -4.90 135.00 137.90 2glm n PRO 26 Ca 0.05 -3.33 0.00 0.00 -0.04 0.00 0.00 63.50 60.18 2glm n PRO 26 Cb 0.38 -2.28 0.00 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 -0.92 1.81 -3.00 0.54 2.81 0.35 -4.90 117.12 113.79 2glm n MET 27 Ca 0.61 -1.17 -0.44 0.00 -1.81 0.00 0.00 57.70 54.89 2glm n MET 27 Cb 0.75 -0.96 -0.04 0.00 -0.71 0.00 0.00 33.22 32.26 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 -0.68 4.97 -0.48 4.03 2.96 -0.56 -4.62 118.68 124.30 2glm s LEU 28 Ca 0.00 -1.25 0.03 0.00 -0.22 0.00 0.00 54.13 52.69 2glm s LEU 28 Cb 0.00 -2.35 0.57 0.00 0.50 0.00 0.00 46.19 44.91 2glm s LEU 28 CO 0.00 -1.26 1.84 0.18 -1.32 0.00 0.00 176.35 175.80 2glm n LEU 29 N 6.92 6.50 -3.82 -0.68 4.77 -1.26 -4.87 117.00 124.55 2glm n LEU 29 Ca -0.07 -3.90 -0.22 0.00 -0.03 0.00 0.00 56.01 51.79 2glm n LEU 29 Cb 0.44 -0.82 -0.17 0.00 -2.33 0.00 0.00 43.42 40.54 2glm n LEU 29 CO 0.61 1.27 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.85 2glm s VAL 30 N -3.80 0.48 -0.17 4.08 1.01 -1.26 -4.62 120.40 116.11 2glm s VAL 30 Ca 0.57 0.01 0.12 0.00 0.00 0.00 0.00 61.98 62.68 2glm s VAL 30 Cb 0.47 -0.58 -0.23 0.00 0.00 0.00 0.00 36.38 36.04 2glm s VAL 30 CO 0.05 0.26 0.16 0.47 0.00 0.00 0.00 175.10 176.04 2glm n ASP 31 N 4.77 0.73 -3.61 3.32 8.00 -0.53 -4.94 116.55 124.29 2glm n ASP 31 Ca -0.13 0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.28 2glm n ASP 31 Cb 0.50 0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 41.89 2glm n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2glm s ARG 32 N -2.52 0.88 -0.19 -1.24 3.52 -1.08 -2.56 118.95 115.76 2glm s ARG 32 Ca -0.15 0.32 -0.05 0.00 -0.13 0.00 0.00 55.73 55.72 2glm s ARG 32 Cb 0.07 0.42 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 2glm s ARG 32 CO 0.78 -0.23 0.01 0.42 -0.81 0.00 0.00 175.30 175.46 2glm s ILE 33 N -0.82 4.12 -0.18 4.11 -1.09 -0.22 -1.50 121.20 125.62 2glm s ILE 33 Ca -0.09 -0.26 0.13 0.00 -2.23 0.00 0.00 60.65 58.20 2glm s ILE 33 Cb -0.02 -2.85 -0.20 0.00 -1.58 0.00 0.00 42.46 37.81 2glm s ILE 33 CO 0.06 0.45 0.02 0.35 -1.23 0.00 0.00 174.94 174.59 2glm n THR 34 N 3.91 1.20 -3.77 2.92 -2.24 -0.23 -2.16 114.28 113.90 2glm n THR 34 Ca -0.17 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 60.79 2glm n THR 34 Cb 0.52 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 2glm n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2glm s GLU 35 N -2.42 0.17 -0.12 -0.78 2.12 -1.01 -4.49 118.70 112.17 2glm s GLU 35 Ca -0.12 0.35 -0.05 0.00 0.36 0.00 0.00 54.97 55.50 2glm s GLU 35 Cb 0.06 -0.03 0.06 0.00 0.26 0.00 0.00 34.13 34.47 2glm s GLU 35 CO 0.67 -0.10 0.26 -1.17 -0.54 0.00 0.00 175.26 174.39 2glm s LEU 36 N 0.67 0.03 -0.36 2.70 0.20 -1.25 -0.68 118.68 120.00 2glm s LEU 36 Ca -0.05 0.58 0.03 0.00 0.69 0.00 0.00 54.13 55.39 2glm s LEU 36 Cb -0.06 0.76 0.10 0.00 -0.43 0.00 0.00 46.19 46.56 2glm s LEU 36 CO -0.04 -0.20 0.09 -1.10 -0.29 0.00 0.00 176.35 174.81 2glm s GLN 37 N 1.84 1.41 -0.04 1.98 -0.21 -0.18 -4.77 119.66 119.69 2glm s GLN 37 Ca -0.04 -1.84 -0.27 0.00 0.02 0.00 0.00 55.36 53.22 2glm s GLN 37 Cb -0.11 -3.01 -0.13 0.00 1.00 0.00 0.00 33.01 30.76 2glm s GLN 37 CO -0.09 -0.97 0.76 0.00 -2.12 0.00 0.00 175.29 172.87 2glm n ALA 38 N 4.19 -2.44 -0.77 6.09 0.00 -1.26 -0.09 120.51 126.23 2glm n ALA 38 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2glm n ALA 38 Cb 0.41 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.20 -2.62 0.00 0.00 4.13 -1.26 -4.75 115.26 111.95 2glm n ASN 39 Ca 0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.40 2glm n ASN 39 Cb 0.04 -2.60 0.00 0.00 -1.54 0.00 0.00 39.78 35.69 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 -0.85 0.00 -4.14 3.52 6.02 0.88 -4.66 117.38 118.14 2glm n GLN 40 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2glm n GLN 40 Cb 0.20 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.38 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 -1.00 1.29 -0.18 -1.09 -2.85 -1.00 0.58 119.74 115.50 2glm s LYS 41 Ca 0.00 -1.51 -0.23 0.00 -1.00 0.00 0.00 55.97 53.23 2glm s LYS 41 Cb 0.00 0.33 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 2glm s LYS 41 CO 0.00 -0.46 0.61 -1.50 0.10 0.00 0.00 175.35 174.10 2glm s ILE 42 N -4.11 0.00 -0.07 3.79 2.07 0.67 -1.01 121.20 122.53 2glm s ILE 42 Ca 0.34 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.56 2glm s ILE 42 Cb 0.05 -0.87 0.01 0.00 0.13 0.00 0.00 42.46 41.78 2glm s ILE 42 CO 0.11 -0.02 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.30 2glm s VAL 43 N -0.12 1.22 0.24 4.00 1.01 0.15 -1.60 120.40 125.30 2glm s VAL 43 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2glm s VAL 43 Cb -0.03 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 2glm s VAL 43 CO 0.03 0.38 0.31 0.00 0.00 0.00 0.00 175.10 175.81 2glm n ALA 44 N 3.89 -0.04 -3.49 5.51 0.00 -0.49 -1.07 120.51 124.82 2glm n ALA 44 Ca -0.22 -1.21 -0.10 0.00 0.00 0.00 0.00 53.44 51.91 2glm n ALA 44 Cb 0.52 0.97 -0.02 0.00 0.00 0.00 0.00 19.45 20.92 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 -3.37 -0.45 -0.07 0.00 1.13 -0.57 0.47 117.35 114.49 2glm s TYR 45 Ca 0.23 0.23 -0.00 0.00 -1.41 0.00 0.00 57.07 56.11 2glm s TYR 45 Cb -0.00 0.57 0.02 0.00 -1.10 0.00 0.00 41.96 41.46 2glm s TYR 45 CO 0.16 -0.82 -0.03 0.21 -2.51 0.00 0.00 175.55 172.55 2glm s LYS 46 N -3.62 0.88 0.28 -3.49 2.20 -0.17 -1.45 119.74 114.37 2glm s LYS 46 Ca 0.03 -0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2glm s LYS 46 Cb -0.01 -1.03 -0.09 0.00 -1.51 0.00 0.00 37.83 35.19 2glm s LYS 46 CO -0.10 -0.19 1.05 -0.80 -0.36 0.00 0.00 175.35 174.96 2glm s ASN 47 N 1.43 7.32 -0.25 1.43 0.01 -1.26 -1.61 114.94 122.01 2glm s ASN 47 Ca -0.03 2.17 -0.07 0.00 -0.71 0.00 0.00 52.86 54.23 2glm s ASN 47 Cb -0.13 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.89 2glm s ASN 47 CO -0.03 -0.09 0.05 -0.63 -1.51 0.00 0.00 177.10 174.89 2glm s ILE 48 N -1.21 4.08 0.16 0.60 -1.09 0.08 -4.93 121.20 118.89 2glm s ILE 48 Ca 0.45 -0.32 0.09 0.00 -2.23 0.00 0.00 60.65 58.64 2glm s ILE 48 Cb -0.30 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2glm s ILE 48 CO 0.38 0.31 -0.20 0.28 -1.23 0.00 0.00 174.94 174.48 2glm s THR 49 N 1.57 1.90 0.34 2.92 -1.32 -1.26 0.74 115.64 120.53 2glm s THR 49 Ca 0.06 -1.90 0.32 0.00 -1.21 0.00 0.00 61.69 58.96 2glm s THR 49 Cb -0.15 -1.86 0.34 0.00 -1.51 0.00 0.00 72.50 69.32 2glm s THR 49 CO 0.02 -0.25 2.08 0.15 -2.21 0.00 0.00 174.62 174.41 2glm h PHE 50 N 3.33 0.00 0.00 9.09 3.57 -1.96 -3.13 116.94 127.85 2glm h PHE 50 Ca -0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 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 0.08 0.00 -1.71 -2.23 0.00 0.00 178.31 175.12 2glm n ASN 51 N -3.35 2.32 -4.52 0.41 5.15 -1.26 -4.77 115.26 109.24 2glm n ASN 51 Ca -0.01 -1.58 -0.34 0.00 -0.60 0.00 0.00 54.58 52.06 2glm n ASN 51 Cb 0.25 -0.39 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 2glm n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2glm s GLU 52 N 0.18 3.23 0.48 1.20 2.02 -1.18 -5.00 118.70 119.62 2glm s GLU 52 Ca 0.00 -0.56 0.21 0.00 0.02 0.00 0.00 54.97 54.64 2glm s GLU 52 Cb 0.00 -2.73 1.23 0.00 0.10 0.00 0.00 34.13 32.73 2glm s GLU 52 CO 0.00 0.42 1.95 0.22 0.02 0.00 0.00 175.26 177.88 2glm h ASP 53 N 6.07 0.19 -0.48 -0.19 3.58 -1.94 -1.83 116.42 121.83 2glm h ASP 53 Ca -0.38 0.01 0.12 0.00 0.42 0.00 0.00 57.03 57.20 2glm h ASP 53 Cb 1.19 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2glm h ASP 53 CO 0.57 0.10 0.34 1.62 -2.88 0.00 0.00 179.24 178.99 2glm h VAL 54 N 0.20 0.81 0.00 2.25 3.04 -1.95 -0.43 116.25 120.17 2glm h VAL 54 Ca 0.32 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 2glm h VAL 54 Cb 0.96 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2glm h VAL 54 CO -0.06 0.02 0.00 0.49 -1.01 0.00 0.00 177.57 177.01 2glm n PHE 55 N -4.42 0.00 -0.19 3.17 3.01 -0.69 -3.03 117.46 115.31 2glm n PHE 55 Ca 0.08 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.55 2glm n PHE 55 Cb 0.48 -0.49 0.27 0.00 -0.01 0.00 0.00 39.48 39.73 2glm n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2glm h ASN 56 N 0.00 0.82 0.00 4.37 2.35 -1.23 -3.24 115.58 118.65 2glm h ASN 56 Ca 0.00 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2glm h ASN 56 Cb 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2glm h ASN 56 CO 0.00 0.59 -0.25 0.61 -1.65 0.00 0.00 177.43 176.73 2glm n GLY 57 N -1.43 4.31 2.51 2.83 0.00 -1.17 -4.27 105.19 107.98 2glm n GLY 57 Ca 0.08 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.10 -1.93 -4.29 1.61 -0.00 -1.20 -4.67 115.22 103.64 2glm n HIS 58 Ca 0.15 -2.62 -0.15 0.00 -0.00 0.00 0.00 57.72 55.09 2glm n HIS 58 Cb 0.69 0.77 -0.10 0.00 -0.00 0.00 0.00 29.99 31.34 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 -0.35 1.42 0.18 1.57 0.40 -0.80 -1.45 117.98 118.95 2glm s PHE 59 Ca 0.32 -1.11 -0.33 0.00 -0.60 0.00 0.00 56.93 55.20 2glm s PHE 59 Cb 0.24 -0.82 -0.14 0.00 0.51 0.00 0.00 43.02 42.81 2glm s PHE 59 CO -0.15 -0.28 1.52 -2.30 0.70 0.00 0.00 175.22 174.71 2glm n PRO 60 N -0.38 2.07 0.00 0.24 -0.02 -1.26 -1.81 135.00 133.84 2glm n PRO 60 Ca -0.03 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2glm n PRO 60 Cb 0.65 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2glm n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2glm n ASN 61 N 3.04 0.00 -3.36 2.55 3.02 -1.26 -4.88 115.26 114.37 2glm n ASN 61 Ca 0.16 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 2glm n ASN 61 Cb 0.29 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 2glm n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2glm s LYS 62 N 0.00 0.52 0.14 3.52 2.20 -0.75 -5.14 119.74 120.23 2glm s LYS 62 Ca 0.00 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 54.81 2glm s LYS 62 Cb 0.00 -0.61 -0.09 0.00 -1.51 0.00 0.00 37.83 35.62 2glm s LYS 62 CO 0.00 -1.12 1.47 -1.25 -0.36 0.00 0.00 175.35 174.09 2glm s PRO 63 N 1.88 4.27 -0.11 4.03 0.04 -1.23 -1.91 135.00 141.96 2glm s PRO 63 Ca 0.14 2.20 -0.04 0.00 0.04 0.00 0.00 61.00 63.34 2glm s PRO 63 Cb -0.14 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.25 2glm s PRO 63 CO -0.16 -0.52 0.18 0.42 0.04 0.00 0.00 177.00 176.96 2glm s ILE 64 N 1.13 -0.27 0.16 0.56 1.01 -0.53 -4.62 121.20 118.64 2glm s ILE 64 Ca 0.67 0.24 -0.32 0.00 0.00 0.00 0.00 60.65 61.24 2glm s ILE 64 Cb -0.40 -0.39 -0.10 0.00 0.01 0.00 0.00 42.46 41.58 2glm s ILE 64 CO 0.31 0.06 1.65 0.12 0.00 0.00 0.00 174.94 177.07 2glm s PHE 65 N 2.30 2.84 0.35 3.97 5.36 0.31 -4.61 117.98 128.51 2glm s PHE 65 Ca 0.04 0.44 -0.29 0.00 -0.96 0.00 0.00 56.93 56.16 2glm s PHE 65 Cb -0.13 -4.02 -0.11 0.00 -0.34 0.00 0.00 43.02 38.42 2glm s PHE 65 CO -0.07 -3.88 1.52 -2.14 -1.46 0.00 0.00 175.22 169.19 2glm s PRO 66 N 1.51 4.11 0.16 10.12 0.02 -1.26 -4.52 135.00 145.15 2glm s PRO 66 Ca 0.73 2.57 -0.13 0.00 0.02 0.00 0.00 61.00 64.19 2glm s PRO 66 Cb -0.45 -2.99 0.05 0.00 0.02 0.00 0.00 34.50 31.13 2glm s PRO 66 CO 0.32 -0.56 1.70 0.78 -0.33 0.00 0.00 177.00 178.91 2glm h GLY 67 N 3.57 0.89 1.46 0.52 0.00 -1.99 -2.41 103.07 105.12 2glm h GLY 67 Ca -0.50 -0.51 0.06 0.00 0.00 0.00 0.00 47.33 46.39 2glm h GLY 67 CO 0.69 0.47 0.22 -0.39 0.00 0.00 0.00 176.54 177.53 2glm h VAL 68 N 0.75 0.92 0.00 4.60 -1.51 -2.00 0.14 116.25 119.15 2glm h VAL 68 Ca 0.18 -0.05 -0.07 0.00 -1.23 0.00 0.00 66.70 65.52 2glm h VAL 68 Cb 0.24 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2glm h VAL 68 CO -0.01 0.03 -0.34 -0.07 -1.23 0.00 0.00 177.57 175.94 2glm h LEU 69 N 0.16 0.00 -0.32 4.19 3.38 -1.82 -1.96 115.31 118.94 2glm h LEU 69 Ca 0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2glm h LEU 69 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2glm h LEU 69 CO -0.02 0.34 -0.34 0.40 0.09 0.00 0.00 178.44 178.91 2glm h ILE 70 N 0.00 1.29 -0.29 1.22 2.04 -0.66 -1.16 117.51 119.95 2glm h ILE 70 Ca -0.00 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 2glm h ILE 70 Cb 1.11 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2glm h ILE 70 CO 0.04 0.49 -0.07 0.58 0.00 0.00 0.00 178.15 179.20 2glm h VAL 71 N 0.56 1.21 -0.60 1.67 2.07 -1.27 -1.93 116.25 117.95 2glm h VAL 71 Ca 0.05 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 2glm h VAL 71 Cb 0.93 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2glm h VAL 71 CO 0.08 0.29 0.03 -0.08 0.02 0.00 0.00 177.57 177.92 2glm h GLU 72 N 0.44 1.02 -0.24 1.57 4.57 -0.96 -1.41 114.58 119.57 2glm h GLU 72 Ca 0.09 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 2glm h GLU 72 Cb 0.39 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2glm h GLU 72 CO 0.02 0.98 -0.29 0.78 -1.18 0.00 0.00 179.01 179.32 2glm h GLY 73 N 1.01 0.53 1.19 1.92 0.00 -0.54 -1.53 103.07 105.66 2glm h GLY 73 Ca 0.18 -0.46 -0.17 0.00 0.00 0.00 0.00 47.33 46.88 2glm h GLY 73 CO 0.02 0.42 -0.45 -0.33 0.00 0.00 0.00 176.54 176.19 2glm h MET 74 N 0.43 0.87 -0.57 4.80 2.86 -1.17 -1.49 114.93 120.66 2glm h MET 74 Ca 0.06 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2glm h MET 74 Cb 0.73 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.39 2glm h MET 74 CO 0.06 1.13 0.35 0.00 1.06 0.00 0.00 176.91 179.51 2glm h ALA 75 N 0.78 0.72 -0.52 6.32 0.00 -1.00 -0.25 119.26 125.32 2glm h ALA 75 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2glm h ALA 75 Cb 1.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2glm h ALA 75 CO 0.10 0.20 0.02 1.96 0.00 0.00 0.00 179.25 181.53 2glm h GLN 76 N 0.77 0.86 -0.17 0.00 4.20 -1.14 0.84 115.11 120.47 2glm h GLN 76 Ca 0.20 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2glm h GLN 76 Cb -0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2glm h GLN 76 CO -0.04 0.85 0.09 0.77 -0.67 0.00 0.00 178.83 179.84 2glm h SER 77 N 0.80 0.22 -0.70 1.46 0.02 -0.85 -1.44 113.55 113.06 2glm h SER 77 Ca 0.16 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 2glm h SER 77 Cb 0.46 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 2glm h SER 77 CO 0.02 0.24 0.37 1.23 -1.14 0.00 0.00 176.83 177.54 2glm h GLY 78 N 0.18 1.05 0.87 -3.77 0.00 -0.57 -2.02 103.07 98.80 2glm h GLY 78 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.19 2glm h GLY 78 CO -0.01 0.10 0.58 -1.33 0.00 0.00 0.00 176.54 175.87 2glm h GLY 79 N 0.64 1.30 1.32 4.60 0.00 -0.18 -1.03 103.07 109.72 2glm h GLY 79 Ca 0.33 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2glm h GLY 79 CO -0.24 0.37 0.37 -2.75 0.00 0.00 0.00 176.54 174.30 2glm h PHE 80 N 1.12 0.87 -0.13 5.60 3.57 -0.57 0.22 116.94 127.63 2glm h PHE 80 Ca 0.36 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2glm h PHE 80 Cb 0.01 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 2glm h PHE 80 CO -0.02 0.60 -0.03 1.25 -2.23 0.00 0.00 178.31 177.88 2glm h LEU 81 N 0.91 0.24 0.31 0.59 5.85 -0.92 -1.64 115.31 120.65 2glm h LEU 81 Ca 0.23 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2glm h LEU 81 Cb 0.00 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2glm h LEU 81 CO -0.04 0.56 -0.31 0.00 -0.34 0.00 0.00 178.44 178.30 2glm h ALA 82 N 0.70 -0.66 0.08 1.25 0.00 -0.76 0.24 119.26 120.10 2glm h ALA 82 Ca 0.03 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2glm h ALA 82 Cb 0.45 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 2glm h ALA 82 CO 0.01 -0.91 -0.43 0.74 0.00 0.00 0.00 179.25 178.67 2glm h PHE 83 N -0.66 -1.21 0.00 0.00 -1.00 -0.97 0.33 116.94 113.44 2glm h PHE 83 Ca -0.01 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2glm h PHE 83 Cb 0.60 0.52 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 2glm h PHE 83 CO -0.19 -0.52 -0.06 1.79 -1.61 0.00 0.00 178.31 177.73 2glm h THR 84 N -0.63 0.43 -0.10 -1.55 1.35 -1.21 0.04 112.91 111.24 2glm h THR 84 Ca 0.03 -0.29 -0.22 0.00 -0.55 0.00 0.00 66.41 65.38 2glm h THR 84 Cb 0.68 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2glm h THR 84 CO -0.27 0.06 -0.83 0.28 -0.25 0.00 0.00 175.52 174.50 2glm h SER 85 N 0.00 0.82 0.34 5.36 0.02 0.82 0.29 113.55 121.20 2glm h SER 85 Ca -0.00 -0.57 -0.33 0.00 -0.84 0.00 0.00 61.79 60.06 2glm h SER 85 Cb 0.19 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.49 2glm h SER 85 CO 0.01 1.36 -1.59 -0.07 -1.14 0.00 0.00 176.83 175.39 2glm h LEU 86 N 0.44 0.55 -0.83 5.07 3.38 -0.33 -3.41 115.31 120.18 2glm h LEU 86 Ca -0.06 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.17 2glm h LEU 86 Cb 1.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2glm h LEU 86 CO 0.16 1.61 0.00 0.79 0.09 0.00 0.00 178.44 181.09 2glm n TRP 87 N -3.55 0.00 -4.77 1.13 8.01 -0.06 -5.11 117.44 113.10 2glm n TRP 87 Ca -0.19 -0.06 0.00 0.00 -1.31 0.00 0.00 57.50 55.94 2glm n TRP 87 Cb 1.06 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 30.36 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 -0.06 -0.31 3.56 6.99 0.00 0.09 -4.01 105.19 111.46 2glm n GLY 88 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 2.17 -0.40 1.61 5.36 -1.26 -4.28 117.98 121.18 2glm s PHE 89 Ca 0.00 -0.12 0.02 0.00 -0.96 0.00 0.00 56.93 55.87 2glm s PHE 89 Cb 0.00 -4.37 0.12 0.00 -0.34 0.00 0.00 43.02 38.43 2glm s PHE 89 CO 0.00 -1.83 0.18 0.34 -1.46 0.00 0.00 175.22 172.45 2glm s ASP 90 N 6.48 3.94 0.40 6.13 -1.08 -1.26 -4.97 116.67 126.32 2glm s ASP 90 Ca 0.58 -2.35 0.11 0.00 -0.52 0.00 0.00 52.55 50.37 2glm s ASP 90 Cb -0.03 -1.11 0.84 0.00 -1.46 0.00 0.00 42.92 41.16 2glm s ASP 90 CO -0.05 -0.32 1.94 -0.65 0.52 0.00 0.00 175.17 176.61 2glm h PRO 91 N 7.17 0.18 0.63 4.34 0.11 -1.90 -1.90 132.00 140.63 2glm h PRO 91 Ca -0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2glm h PRO 91 Cb 0.96 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2glm h PRO 91 CO 0.50 0.32 -0.36 1.49 -0.21 0.00 0.00 178.00 179.74 2glm h GLU 92 N 0.17 -0.88 0.00 1.05 4.57 -1.93 -1.49 114.58 116.06 2glm h GLU 92 Ca 0.03 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2glm h GLU 92 Cb 0.35 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2glm h GLU 92 CO 0.02 -0.59 -0.04 0.97 -1.18 0.00 0.00 179.01 178.19 2glm h ILE 93 N -0.92 0.11 0.00 2.32 6.09 -1.98 -2.97 117.51 120.15 2glm h ILE 93 Ca -0.08 -0.69 -0.10 0.00 -1.37 0.00 0.00 64.86 62.61 2glm h ILE 93 Cb 0.73 1.62 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 2glm h ILE 93 CO 0.10 0.04 -0.49 0.00 -3.07 0.00 0.00 178.15 174.73 2glm h ALA 94 N 1.96 0.97 0.00 0.18 0.00 -1.15 -3.13 119.26 118.08 2glm h ALA 94 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2glm h ALA 94 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2glm h ALA 94 CO 0.01 0.61 -0.26 0.87 0.00 0.00 0.00 179.25 180.48 2glm h LYS 95 N 0.00 0.00 -0.22 0.00 1.57 -1.10 -2.76 116.57 114.06 2glm h LYS 95 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2glm h LYS 95 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2glm h LYS 95 CO 0.06 0.26 0.00 0.25 -0.57 0.00 0.00 179.45 179.46 2glm n THR 96 N -4.18 0.18 -4.50 -0.16 -2.24 -1.18 -4.92 114.28 97.28 2glm n THR 96 Ca -0.02 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 2glm n THR 96 Cb 0.32 -0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.77 1.72 0.14 -0.78 -0.14 -1.04 0.16 119.74 118.02 2glm s LYS 97 Ca 0.07 -1.90 -0.07 0.00 -1.36 0.00 0.00 55.97 52.72 2glm s LYS 97 Cb 0.04 -1.42 -0.01 0.00 -1.68 0.00 0.00 37.83 34.75 2glm s LYS 97 CO 0.05 0.06 0.22 0.96 -0.76 0.00 0.00 175.35 175.87 2glm s ILE 98 N -2.83 0.09 -0.15 2.17 -4.36 -0.88 -4.72 121.20 110.52 2glm s ILE 98 Ca 0.32 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 2glm s ILE 98 Cb 0.04 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 41.97 2glm s ILE 98 CO 0.15 -0.40 -0.15 0.68 0.24 0.00 0.00 174.94 175.46 2glm s VAL 99 N -3.97 1.66 -0.10 8.37 -7.23 -1.26 -1.39 120.40 116.48 2glm s VAL 99 Ca 0.17 -0.69 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 2glm s VAL 99 Cb 0.04 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 2glm s VAL 99 CO -0.01 0.47 0.19 -0.31 -0.31 0.00 0.00 175.10 175.13 2glm s TYR 100 N 1.45 3.62 -0.02 2.82 1.51 0.49 -4.90 117.35 122.31 2glm s TYR 100 Ca 0.05 0.61 -0.27 0.00 -1.01 0.00 0.00 57.07 56.45 2glm s TYR 100 Cb -0.13 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 2glm s TYR 100 CO -0.11 0.71 0.85 0.12 -1.11 0.00 0.00 175.55 176.00 2glm s PHE 101 N -0.99 3.63 -0.22 2.71 2.19 -1.26 -0.23 117.98 123.81 2glm s PHE 101 Ca 0.16 1.49 -0.11 0.00 0.33 0.00 0.00 56.93 58.81 2glm s PHE 101 Cb -0.13 -2.97 -0.09 0.00 -1.31 0.00 0.00 43.02 38.52 2glm s PHE 101 CO 0.06 0.05 -0.29 -1.33 1.83 0.00 0.00 175.22 175.54 2glm n MET 102 N 3.77 0.47 -3.81 10.12 2.81 0.72 -4.94 117.12 126.25 2glm n MET 102 Ca 0.02 0.21 -0.09 0.00 -1.81 0.00 0.00 57.70 56.03 2glm n MET 102 Cb 0.51 -1.28 -0.07 0.00 -0.71 0.00 0.00 33.22 31.67 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 -2.41 0.13 -0.06 2.03 -4.23 -1.09 -4.97 115.64 105.03 2glm s THR 103 Ca -0.31 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2glm s THR 103 Cb 0.12 -1.27 0.03 0.00 1.34 0.00 0.00 72.50 72.72 2glm s THR 103 CO 0.39 -0.58 0.15 -0.63 -0.54 0.00 0.00 174.62 173.41 2glm s ILE 104 N -3.74 -0.03 0.19 2.99 1.01 -1.26 -1.18 121.20 119.18 2glm s ILE 104 Ca 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 2glm s ILE 104 Cb 0.04 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.24 2glm s ILE 104 CO -0.11 0.05 0.21 -1.81 0.00 0.00 0.00 174.94 173.28 2glm s ASP 105 N 0.80 0.11 -1.86 3.58 1.11 0.49 -4.95 116.67 115.95 2glm s ASP 105 Ca -0.06 -1.19 -0.24 0.00 0.18 0.00 0.00 52.55 51.24 2glm s ASP 105 Cb -0.08 0.41 0.24 0.00 1.07 0.00 0.00 42.92 44.56 2glm s ASP 105 CO -0.04 -0.89 0.59 0.29 1.18 0.00 0.00 175.17 176.31 2glm n LYS 106 N -0.25 -0.77 -3.16 8.23 5.02 -1.26 -1.59 118.16 124.38 2glm n LYS 106 Ca -0.01 0.14 -0.39 0.00 -2.02 0.00 0.00 58.31 56.02 2glm n LYS 106 Cb 0.64 -4.72 -0.06 0.00 -0.02 0.00 0.00 35.03 30.87 2glm n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2glm s VAL 107 N -3.23 5.07 -0.00 -0.18 0.11 -1.25 -3.99 120.40 116.91 2glm s VAL 107 Ca 0.83 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 61.09 2glm s VAL 107 Cb -0.48 -3.92 -0.02 0.00 -1.53 0.00 0.00 36.38 30.43 2glm s VAL 107 CO 1.02 0.18 -0.19 -0.75 -3.33 0.00 0.00 175.10 172.03 2glm s LYS 108 N 1.45 1.48 -0.34 1.54 2.36 0.10 -4.97 119.74 121.35 2glm s LYS 108 Ca 0.29 -0.71 -0.05 0.00 -2.55 0.00 0.00 55.97 52.95 2glm s LYS 108 Cb -0.16 -1.46 0.05 0.00 -1.05 0.00 0.00 37.83 35.22 2glm s LYS 108 CO 0.11 0.39 0.09 -0.06 1.55 0.00 0.00 175.35 177.44 2glm s PHE 109 N -0.51 3.30 -0.20 4.03 2.99 -1.26 -1.64 117.98 124.70 2glm s PHE 109 Ca 0.07 -1.69 -0.02 0.00 0.00 0.00 0.00 56.93 55.29 2glm s PHE 109 Cb -0.07 -2.38 -0.21 0.00 0.00 0.00 0.00 43.02 40.35 2glm s PHE 109 CO -0.00 -0.79 0.03 0.54 -0.00 0.00 0.00 175.22 175.00 2glm n ARG 110 N 4.73 0.70 -4.12 0.44 1.74 0.12 -4.98 116.66 115.30 2glm n ARG 110 Ca -0.11 0.21 -0.20 0.00 -0.77 0.00 0.00 57.85 56.98 2glm n ARG 110 Cb 0.44 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 2glm n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2glm s ILE 111 N -2.53 0.49 0.41 0.55 1.01 -0.74 -5.02 121.20 115.37 2glm s ILE 111 Ca -0.30 -0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 2glm s ILE 111 Cb 0.08 -0.53 -0.09 0.00 0.01 0.00 0.00 42.46 41.92 2glm s ILE 111 CO 0.67 0.22 1.44 -2.16 0.00 0.00 0.00 174.94 175.11 2glm s PRO 112 N 0.98 3.90 -0.15 2.79 0.04 -1.26 -4.78 135.00 136.52 2glm s PRO 112 Ca -0.10 2.46 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 2glm s PRO 112 Cb -0.14 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 2glm s PRO 112 CO -0.00 -0.66 0.11 0.08 0.04 0.00 0.00 177.00 176.57 2glm s VAL 113 N -1.17 5.21 0.13 -0.36 1.01 -1.26 -5.03 120.40 118.93 2glm s VAL 113 Ca 0.57 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2glm s VAL 113 Cb -0.44 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2glm s VAL 113 CO 0.59 0.54 0.00 0.42 0.00 0.00 0.00 175.10 176.65 2glm s THR 114 N -0.37 0.46 -0.19 3.92 -4.23 -1.26 -0.53 115.64 113.44 2glm s THR 114 Ca 0.11 -1.93 -0.39 0.00 -1.18 0.00 0.00 61.69 58.30 2glm s THR 114 Cb -0.12 -1.94 -0.15 0.00 1.34 0.00 0.00 72.50 71.63 2glm s THR 114 CO 0.01 -0.61 1.68 -2.65 -0.54 0.00 0.00 174.62 172.52 2glm n PRO 115 N -0.12 1.28 0.00 3.99 -0.02 -1.26 -1.08 135.00 137.78 2glm n PRO 115 Ca -0.08 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2glm n PRO 115 Cb 0.63 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.91 0.84 3.82 -1.23 0.00 0.23 -4.89 105.19 107.86 2glm n GLY 116 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.99 7.00 -0.61 1.61 1.01 -0.24 -4.89 116.67 118.56 2glm s ASP 117 Ca 0.00 1.43 -0.09 0.00 0.71 0.00 0.00 52.55 54.60 2glm s ASP 117 Cb 0.00 -2.43 0.16 0.00 1.01 0.00 0.00 42.92 41.66 2glm s ASP 117 CO 0.00 -0.06 0.49 -0.60 0.21 0.00 0.00 175.17 175.21 2glm s ARG 118 N -2.32 2.82 -0.56 8.23 3.52 -1.26 -0.74 118.95 128.64 2glm s ARG 118 Ca 0.48 -2.15 -0.28 0.00 -0.13 0.00 0.00 55.73 53.65 2glm s ARG 118 Cb -0.15 -4.02 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 2glm s ARG 118 CO 0.20 -1.22 1.56 -1.17 -0.81 0.00 0.00 175.30 173.86 2glm s LEU 119 N 0.68 3.37 -0.23 -0.88 2.96 -0.63 -4.38 118.68 119.57 2glm s LEU 119 Ca 0.12 0.37 -0.19 0.00 -0.22 0.00 0.00 54.13 54.21 2glm s LEU 119 Cb -0.21 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.51 2glm s LEU 119 CO -0.03 -1.88 0.55 -0.70 -1.32 0.00 0.00 176.35 172.97 2glm s GLU 120 N 5.92 4.15 -0.25 1.98 2.12 0.20 -1.00 118.70 131.82 2glm s GLU 120 Ca 0.58 0.44 -0.17 0.00 0.36 0.00 0.00 54.97 56.19 2glm s GLU 120 Cb -0.12 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 2glm s GLU 120 CO 0.24 -0.27 0.47 0.71 -0.54 0.00 0.00 175.26 175.87 2glm s TYR 121 N 2.02 3.28 -0.24 5.30 4.12 0.17 0.82 117.35 132.83 2glm s TYR 121 Ca 0.24 0.59 -0.00 0.00 0.02 0.00 0.00 57.07 57.92 2glm s TYR 121 Cb -0.16 -2.65 0.03 0.00 -1.52 0.00 0.00 41.96 37.66 2glm s TYR 121 CO 0.09 -0.22 -0.09 -1.01 0.02 0.00 0.00 175.55 174.34 2glm s HIS 122 N 2.07 3.05 0.00 2.71 3.76 0.73 -1.39 115.29 126.22 2glm s HIS 122 Ca 0.20 -1.71 -0.01 0.00 -0.15 0.00 0.00 55.06 53.39 2glm s HIS 122 Cb -0.16 -2.01 -0.00 0.00 1.11 0.00 0.00 32.58 31.52 2glm s HIS 122 CO 0.09 -0.77 0.01 -0.51 -0.85 0.00 0.00 174.74 172.71 2glm s LEU 123 N 1.28 2.00 0.09 0.89 1.43 -0.63 -1.03 118.68 122.71 2glm s LEU 123 Ca -0.01 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 2glm s LEU 123 Cb -0.17 0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 2glm s LEU 123 CO -0.06 -0.07 -0.16 -1.83 0.23 0.00 0.00 176.35 174.46 2glm s GLU 124 N -0.32 0.96 -0.23 1.70 -1.05 -0.88 -0.24 118.70 118.63 2glm s GLU 124 Ca -0.04 -1.09 -0.29 0.00 -0.15 0.00 0.00 54.97 53.41 2glm s GLU 124 Cb -0.02 -1.01 0.01 0.00 -0.44 0.00 0.00 34.13 32.67 2glm s GLU 124 CO -0.00 0.22 1.04 0.08 0.95 0.00 0.00 175.26 177.54 2glm s VAL 125 N -1.46 4.68 -0.03 1.83 1.01 0.20 -1.68 120.40 124.95 2glm s VAL 125 Ca 0.03 2.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.90 2glm s VAL 125 Cb -0.09 -4.31 -0.32 0.00 0.00 0.00 0.00 36.38 31.67 2glm s VAL 125 CO 0.03 -0.19 0.75 -0.07 0.00 0.00 0.00 175.10 175.62 2glm h LEU 126 N 9.47 0.65 -7.00 3.92 3.38 -0.20 -3.48 115.31 122.06 2glm h LEU 126 Ca -0.19 -0.90 -0.05 0.00 0.09 0.00 0.00 57.88 56.83 2glm h LEU 126 Cb 1.06 -0.21 -0.19 0.00 0.09 0.00 0.00 40.66 41.40 2glm h LEU 126 CO 0.98 1.75 0.22 -0.75 0.09 0.00 0.00 178.44 180.73 2glm s LYS 127 N -2.59 1.01 -0.26 1.13 2.20 -0.69 -5.01 119.74 115.53 2glm s LYS 127 Ca -0.14 0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 55.62 2glm s LYS 127 Cb 0.05 0.48 0.09 0.00 -1.51 0.00 0.00 37.83 36.94 2glm s LYS 127 CO 0.87 -0.31 0.61 -3.38 -0.36 0.00 0.00 175.35 172.78 2glm s HIS 128 N -1.13 -1.04 -0.13 4.03 -3.43 -1.26 0.59 115.29 112.92 2glm s HIS 128 Ca -0.10 1.99 -0.04 0.00 -0.80 0.00 0.00 55.06 56.12 2glm s HIS 128 Cb -0.00 0.59 0.05 0.00 -1.43 0.00 0.00 32.58 31.79 2glm s HIS 128 CO 0.09 -0.53 0.07 0.21 -2.00 0.00 0.00 174.74 172.58 2glm s LYS 129 N 2.02 0.12 7.97 -0.38 2.20 -0.28 -5.02 119.74 126.38 2glm s LYS 129 Ca -0.08 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2glm s LYS 129 Cb -0.08 -1.44 0.00 0.00 -1.51 0.00 0.00 37.83 34.80 2glm s LYS 129 CO -0.18 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 2glm n GLY 130 N 5.25 4.06 0.13 5.54 0.00 -1.26 -1.44 105.19 117.47 2glm n GLY 130 Ca -0.06 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 13.91 0.54 -3.22 1.61 2.81 -1.26 -4.82 117.12 126.69 2glm n MET 131 Ca 0.00 -0.25 -0.40 0.00 -1.81 0.00 0.00 57.70 55.24 2glm n MET 131 Cb 0.00 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 30.94 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 -2.64 5.07 -0.11 2.02 -1.09 -0.52 -1.56 121.20 122.37 2glm s ILE 132 Ca 0.22 0.94 0.01 0.00 -2.23 0.00 0.00 60.65 59.59 2glm s ILE 132 Cb 0.19 -3.85 0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2glm s ILE 132 CO 0.54 0.10 -0.13 0.26 -1.23 0.00 0.00 174.94 174.49 2glm s TRP 133 N 2.15 1.79 -0.32 3.97 0.52 -0.65 -1.12 118.94 125.28 2glm s TRP 133 Ca 0.23 -0.85 -0.07 0.00 0.02 0.00 0.00 56.10 55.42 2glm s TRP 133 Cb -0.16 -1.34 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 2glm s TRP 133 CO 0.09 -0.48 0.10 -1.14 0.02 0.00 0.00 176.95 175.54 2glm s GLN 134 N 1.17 2.94 0.28 4.98 0.74 0.20 -1.18 119.66 128.80 2glm s GLN 134 Ca -0.04 -0.97 0.12 0.00 0.05 0.00 0.00 55.36 54.53 2glm s GLN 134 Cb -0.14 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 2glm s GLN 134 CO -0.04 -0.53 -0.20 0.14 -0.55 0.00 0.00 175.29 174.12 2glm s VAL 135 N 1.48 2.47 -0.07 1.34 -7.23 -0.46 0.57 120.40 118.51 2glm s VAL 135 Ca 0.01 -2.40 -0.24 0.00 -1.81 0.00 0.00 61.98 57.54 2glm s VAL 135 Cb -0.18 -2.31 0.05 0.00 0.56 0.00 0.00 36.38 34.50 2glm s VAL 135 CO 0.03 -0.40 0.55 -0.83 -0.31 0.00 0.00 175.10 174.15 2glm s GLY 136 N -3.51 -0.43 0.00 2.32 0.00 -0.67 -1.33 107.32 103.70 2glm s GLY 136 Ca 0.30 1.08 0.00 0.00 0.00 0.00 0.00 44.72 46.10 2glm s GLY 136 CO 0.15 0.79 0.00 0.61 0.00 0.00 0.00 173.10 174.65 2glm n GLY 137 N 1.35 -0.85 3.18 0.20 0.00 -0.30 -2.08 105.19 106.69 2glm n GLY 137 Ca -0.19 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 0.20 -0.11 2.61 -4.23 -0.20 -1.79 115.64 108.11 2glm s THR 138 Ca 0.00 -1.94 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 2glm s THR 138 Cb 0.00 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2glm s THR 138 CO 0.00 -0.38 -0.22 0.00 -0.54 0.00 0.00 174.62 173.48 2glm s ALA 139 N -3.99 2.25 0.27 3.99 0.00 0.27 -0.19 121.76 124.36 2glm s ALA 139 Ca 0.27 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2glm s ALA 139 Cb 0.07 -0.90 -0.06 0.00 0.00 0.00 0.00 23.12 22.23 2glm s ALA 139 CO 0.04 0.22 -0.06 -0.65 0.00 0.00 0.00 175.76 175.31 2glm s GLN 140 N 0.44 1.53 -0.13 0.00 -0.21 0.24 -1.06 119.66 120.48 2glm s GLN 140 Ca -0.15 -1.77 -0.05 0.00 0.02 0.00 0.00 55.36 53.40 2glm s GLN 140 Cb -0.17 -1.13 0.07 0.00 1.00 0.00 0.00 33.01 32.77 2glm s GLN 140 CO 0.06 0.04 0.27 0.08 -2.12 0.00 0.00 175.29 173.63 2glm s VAL 141 N -3.03 -0.41 -1.35 1.09 1.01 -0.46 0.59 120.40 117.85 2glm s VAL 141 Ca 0.29 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 2glm s VAL 141 Cb 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 2glm s VAL 141 CO 0.12 0.11 0.58 -0.67 0.00 0.00 0.00 175.10 175.24 2glm n ASP 142 N 5.28 -0.79 0.00 3.32 4.64 -1.26 -1.99 116.55 125.75 2glm n ASP 142 Ca -0.07 -0.90 0.00 0.00 -1.38 0.00 0.00 54.79 52.44 2glm n ASP 142 Cb 0.50 -3.64 0.00 0.00 -1.04 0.00 0.00 41.12 36.94 2glm n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2glm n GLY 143 N -1.75 2.23 3.90 0.27 0.00 -1.26 -4.99 105.19 103.60 2glm n GLY 143 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 3.48 -0.20 1.61 1.02 -0.84 -5.07 119.74 119.75 2glm s LYS 144 Ca 0.00 -0.27 -0.28 0.00 0.02 0.00 0.00 55.97 55.44 2glm s LYS 144 Cb 0.00 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2glm s LYS 144 CO 0.00 0.64 0.98 0.08 -0.92 0.00 0.00 175.35 176.13 2glm s VAL 145 N -1.38 4.75 -0.07 3.17 1.01 -1.26 -1.35 120.40 125.27 2glm s VAL 145 Ca 0.30 1.93 0.20 0.00 0.00 0.00 0.00 61.98 64.40 2glm s VAL 145 Cb -0.13 -4.27 -0.30 0.00 0.00 0.00 0.00 36.38 31.69 2glm s VAL 145 CO 0.20 -0.10 0.36 1.33 0.00 0.00 0.00 175.10 176.89 2glm n VAL 146 N 5.07 0.35 -3.52 2.92 0.24 -0.22 -4.55 118.33 118.61 2glm n VAL 146 Ca 0.10 -0.57 -0.15 0.00 -2.04 0.00 0.00 64.34 61.68 2glm n VAL 146 Cb 0.47 -0.11 -0.05 0.00 -1.47 0.00 0.00 33.84 32.68 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 -3.19 -1.54 0.01 2.33 0.00 -1.04 -0.70 121.76 117.63 2glm s ALA 147 Ca -0.08 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.73 2glm s ALA 147 Cb 0.11 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 2glm s ALA 147 CO 0.85 -0.51 -0.06 -1.21 0.00 0.00 0.00 175.76 174.82 2glm s GLU 148 N -2.25 0.49 0.06 0.00 2.02 -0.65 -0.57 118.70 117.79 2glm s GLU 148 Ca -0.06 -0.37 -0.27 0.00 0.02 0.00 0.00 54.97 54.29 2glm s GLU 148 Cb -0.01 -0.42 0.09 0.00 0.10 0.00 0.00 34.13 33.90 2glm s GLU 148 CO 0.00 0.10 0.82 0.00 0.02 0.00 0.00 175.26 176.21 2glm s ALA 149 N -0.49 -1.74 -0.02 5.21 0.00 -0.74 -0.72 121.76 123.26 2glm s ALA 149 Ca -0.01 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.75 2glm s ALA 149 Cb -0.04 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 2glm s ALA 149 CO -0.00 -0.75 -0.10 -1.21 0.00 0.00 0.00 175.76 173.70 2glm s GLU 150 N -3.31 0.94 0.08 0.00 2.02 -0.62 -1.14 118.70 116.67 2glm s GLU 150 Ca 0.05 -0.34 -0.14 0.00 0.02 0.00 0.00 54.97 54.56 2glm s GLU 150 Cb -0.01 -0.89 0.02 0.00 0.10 0.00 0.00 34.13 33.35 2glm s GLU 150 CO -0.09 0.16 0.32 -0.48 0.02 0.00 0.00 175.26 175.20 2glm s LEU 151 N 0.00 0.79 -0.19 1.80 0.05 -0.44 -0.38 118.68 120.32 2glm s LEU 151 Ca -0.00 -0.33 0.00 0.00 0.05 0.00 0.00 54.13 53.85 2glm s LEU 151 Cb -0.07 1.49 0.05 0.00 -2.05 0.00 0.00 46.19 45.61 2glm s LEU 151 CO 0.00 -0.73 -0.07 -0.75 -0.55 0.00 0.00 176.35 174.25 2glm s LYS 152 N -3.31 1.69 0.43 1.48 2.20 -0.32 -1.35 119.74 120.55 2glm s LYS 152 Ca 0.00 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 54.97 2glm s LYS 152 Cb 0.02 -2.27 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 2glm s LYS 152 CO -0.08 -0.46 0.42 0.00 -0.36 0.00 0.00 175.35 174.87 2glm s ALA 153 N 1.50 4.17 -0.01 3.13 0.00 -0.32 -0.20 121.76 130.02 2glm s ALA 153 Ca -0.01 -1.84 -0.00 0.00 0.00 0.00 0.00 51.96 50.11 2glm s ALA 153 Cb -0.16 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.86 2glm s ALA 153 CO -0.08 -0.26 0.03 1.41 0.00 0.00 0.00 175.76 176.86 2glm s MET 154 N -4.18 -0.01 -0.24 0.00 1.75 0.68 -1.64 119.30 115.66 2glm s MET 154 Ca 0.49 0.11 -0.13 0.00 -1.25 0.00 0.00 55.69 54.92 2glm s MET 154 Cb -0.04 -0.12 -0.05 0.00 2.84 0.00 0.00 34.83 37.46 2glm s MET 154 CO 0.29 -0.09 0.26 0.42 -0.65 0.00 0.00 175.02 175.25 2glm s ILE 155 N 0.55 5.29 0.02 10.11 1.01 -0.60 -0.38 121.20 137.20 2glm s ILE 155 Ca -0.05 0.37 0.06 0.00 0.00 0.00 0.00 60.65 61.04 2glm s ILE 155 Cb -0.07 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2glm s ILE 155 CO -0.02 0.28 -0.17 0.00 0.00 0.00 0.00 174.94 175.03 2glm s ALA 156 N 1.35 1.46 0.23 9.38 0.00 -0.49 -4.79 121.76 128.91 2glm s ALA 156 Ca 0.12 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 2glm s ALA 156 Cb -0.14 -0.30 -0.13 0.00 0.00 0.00 0.00 23.12 22.55 2glm s ALA 156 CO 0.07 0.32 1.44 -1.91 0.00 0.00 0.00 175.76 175.68 2glm n GLU 157 N 2.12 2.08 0.00 0.00 2.13 -1.26 -2.07 120.64 123.64 2glm n GLU 157 Ca -0.17 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.40 2glm n GLU 157 Cb 0.54 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2glm n GLU 157 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2glm n ARG 158 N 2.21 0.40 0.00 5.31 0.63 0.12 -4.81 116.66 120.52 2glm n ARG 158 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2glm n ARG 158 Cb 0.31 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 32.18 2glm n ARG 158 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27