#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6e s HIS 5 N 0.00 1.44 -0.02 -0.32 3.76 -1.26 -5.02 115.29 113.87 1d6e s HIS 5 Ca 0.00 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 1d6e s HIS 5 Cb 0.00 -0.76 0.02 0.00 1.11 0.00 0.00 32.58 32.94 1d6e s HIS 5 CO 0.00 0.15 -0.01 0.08 -0.85 0.00 0.00 174.74 174.11 1d6e s VAL 6 N -1.84 0.21 -0.14 -0.90 1.01 -1.26 -5.03 120.40 112.44 1d6e s VAL 6 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1d6e s VAL 6 Cb -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1d6e s VAL 6 CO 0.03 0.12 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 1d6e s ILE 7 N 0.66 2.41 -0.08 2.22 1.01 -1.26 -1.80 121.20 124.36 1d6e s ILE 7 Ca -0.07 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1d6e s ILE 7 Cb -0.10 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.39 1d6e s ILE 7 CO -0.01 0.53 -0.18 -0.63 0.00 0.00 0.00 174.94 174.65 1d6e s ILE 8 N 0.75 1.60 -0.49 2.92 1.01 0.64 -4.96 121.20 122.68 1d6e s ILE 8 Ca -0.07 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 1d6e s ILE 8 Cb -0.16 -1.41 0.08 0.00 0.01 0.00 0.00 42.46 40.99 1d6e s ILE 8 CO 0.00 0.46 0.45 -1.58 0.00 0.00 0.00 174.94 174.27 1d6e s GLN 9 N 0.43 3.00 -0.11 2.79 0.74 -1.26 0.36 119.66 125.61 1d6e s GLN 9 Ca -0.15 -1.34 -0.04 0.00 0.05 0.00 0.00 55.36 53.87 1d6e s GLN 9 Cb -0.16 -4.16 -0.04 0.00 1.10 0.00 0.00 33.01 29.75 1d6e s GLN 9 CO 0.06 -1.12 0.06 0.00 -0.55 0.00 0.00 175.29 173.75 1d6e s ALA 10 N 1.80 3.53 0.06 1.58 0.00 0.98 -4.95 121.76 124.76 1d6e s ALA 10 Ca 0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1d6e s ALA 10 Cb -0.24 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1d6e s ALA 10 CO 0.07 0.56 -0.04 -1.21 0.00 0.00 0.00 175.76 175.14 1d6e s GLU 11 N -0.81 0.64 -0.13 0.00 2.02 -1.26 -0.98 118.70 118.18 1d6e s GLU 11 Ca 0.13 -1.21 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 1d6e s GLU 11 Cb -0.12 0.12 0.10 0.00 0.10 0.00 0.00 34.13 34.33 1d6e s GLU 11 CO 0.03 -0.09 0.87 -0.59 0.02 0.00 0.00 175.26 175.50 1d6e s PHE 12 N -3.71 -0.50 -0.01 1.61 -0.12 -1.07 -4.99 117.98 109.19 1d6e s PHE 12 Ca 0.07 0.91 0.04 0.00 -0.05 0.00 0.00 56.93 57.89 1d6e s PHE 12 Cb 0.06 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1d6e s PHE 12 CO -0.08 -0.44 -0.12 -0.47 -0.05 0.00 0.00 175.22 174.06 1d6e s TYR 13 N -0.99 1.04 -0.08 3.49 5.04 -1.26 -1.80 117.35 122.79 1d6e s TYR 13 Ca -0.05 -0.20 0.03 0.00 -2.44 0.00 0.00 57.07 54.41 1d6e s TYR 13 Cb -0.01 -0.67 0.01 0.00 0.35 0.00 0.00 41.96 41.64 1d6e s TYR 13 CO 0.04 -0.02 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.90 1d6e s LEU 14 N -0.30 1.81 0.06 6.97 2.96 -0.00 -5.00 118.68 125.18 1d6e s LEU 14 Ca 0.04 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1d6e s LEU 14 Cb -0.05 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1d6e s LEU 14 CO -0.00 0.07 -0.05 0.20 -1.32 0.00 0.00 176.35 175.25 1d6e s ASN 15 N 0.60 4.75 -0.01 3.68 0.01 -1.26 -0.33 114.94 122.38 1d6e s ASN 15 Ca -0.15 -0.21 0.12 0.00 -0.71 0.00 0.00 52.86 51.91 1d6e s ASN 15 Cb -0.16 -1.08 0.36 0.00 0.41 0.00 0.00 41.25 40.78 1d6e s ASN 15 CO 0.05 0.21 1.28 -0.81 -1.51 0.00 0.00 177.10 176.32 1d6e n PRO 16 N 0.94 2.03 0.24 -0.60 -0.04 -1.26 -4.88 135.00 131.43 1d6e n PRO 16 Ca -0.13 -1.46 0.07 0.00 -0.04 0.00 0.00 63.50 61.95 1d6e n PRO 16 Cb 0.52 -1.37 0.59 0.00 -0.04 0.00 0.00 33.50 33.20 1d6e n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1d6e h ASP 17 N 2.31 0.00 -5.19 3.54 5.19 -2.00 -3.46 116.42 116.81 1d6e h ASP 17 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1d6e h ASP 17 Cb 0.61 0.00 0.15 0.00 0.18 0.00 0.00 39.33 40.26 1d6e h ASP 17 CO 0.03 0.11 -0.67 0.00 -3.12 0.00 0.00 179.24 175.58 1d6e n GLN 18 N -4.33 -5.83 -4.17 3.56 6.02 0.55 -5.03 117.38 108.15 1d6e n GLN 18 Ca -0.03 0.74 -0.14 0.00 -0.01 0.00 0.00 57.00 57.56 1d6e n GLN 18 Cb 0.18 -5.44 -0.11 0.00 1.02 0.00 0.00 30.24 25.89 1d6e n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1d6e s SER 19 N -4.15 1.44 0.35 1.08 1.04 -1.19 -4.98 113.70 107.28 1d6e s SER 19 Ca 0.02 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1d6e s SER 19 Cb -0.01 0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1d6e s SER 19 CO 0.64 -0.26 0.37 0.61 0.98 0.00 0.00 173.24 175.58 1d6e n GLY 20 N 0.61 2.58 3.26 7.32 0.00 -1.26 -0.82 105.19 116.88 1d6e n GLY 20 Ca -0.16 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 1d6e n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1d6e s GLU 21 N -3.16 0.67 -0.07 1.61 2.12 -0.75 -4.99 118.70 114.12 1d6e s GLU 21 Ca 0.37 -0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.56 1d6e s GLU 21 Cb 0.01 0.30 0.04 0.00 0.26 0.00 0.00 34.13 34.74 1d6e s GLU 21 CO 0.26 -0.18 0.14 0.12 -0.54 0.00 0.00 175.26 175.06 1d6e s PHE 22 N -1.18 -0.13 0.15 5.30 5.36 -1.26 -2.60 117.98 123.61 1d6e s PHE 22 Ca -0.12 0.54 -0.12 0.00 -0.96 0.00 0.00 56.93 56.27 1d6e s PHE 22 Cb -0.05 -0.29 0.01 0.00 -0.34 0.00 0.00 43.02 42.35 1d6e s PHE 22 CO 0.04 -0.25 0.34 0.00 -1.46 0.00 0.00 175.22 173.89 1d6e s MET 23 N 2.20 1.12 -0.09 10.12 0.23 -0.15 -1.45 119.30 131.29 1d6e s MET 23 Ca 0.03 -0.98 0.02 0.00 -1.03 0.00 0.00 55.69 53.73 1d6e s MET 23 Cb -0.12 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.58 1d6e s MET 23 CO -0.05 -0.42 -0.16 -0.06 -2.03 0.00 0.00 175.02 172.30 1d6e s PHE 24 N -3.90 2.71 -0.03 3.16 0.40 -0.70 -0.02 117.98 119.61 1d6e s PHE 24 Ca 0.10 -0.49 0.06 0.00 -0.60 0.00 0.00 56.93 56.01 1d6e s PHE 24 Cb 0.02 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 1d6e s PHE 24 CO -0.05 -0.07 -0.23 0.34 0.70 0.00 0.00 175.22 175.91 1d6e s ASP 25 N -0.12 2.72 -0.20 1.36 -1.08 0.16 -0.41 116.67 119.09 1d6e s ASP 25 Ca -0.02 -0.43 -0.00 0.00 -0.52 0.00 0.00 52.55 51.58 1d6e s ASP 25 Cb -0.14 -0.47 0.05 0.00 -1.46 0.00 0.00 42.92 40.91 1d6e s ASP 25 CO 0.04 0.26 -0.04 0.12 0.52 0.00 0.00 175.17 176.06 1d6e s PHE 26 N -0.38 1.97 -1.38 -5.34 5.36 0.89 -0.26 117.98 118.85 1d6e s PHE 26 Ca 0.04 -1.40 -0.11 0.00 -0.96 0.00 0.00 56.93 54.50 1d6e s PHE 26 Cb -0.10 -1.41 0.09 0.00 -0.34 0.00 0.00 43.02 41.25 1d6e s PHE 26 CO 0.01 -0.70 0.59 -0.25 -1.46 0.00 0.00 175.22 173.40 1d6e n ASP 27 N 4.79 -3.75 0.00 6.13 8.00 -0.75 -1.05 116.55 129.94 1d6e n ASP 27 Ca -0.12 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1d6e n ASP 27 Cb 0.46 -3.08 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 1d6e n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d6e n GLY 28 N -1.25 0.62 3.62 0.44 0.00 -1.26 -5.06 105.19 102.29 1d6e n GLY 28 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1d6e n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d6e s ASP 29 N -2.56 4.76 -0.07 1.61 1.01 -0.21 -5.04 116.67 116.17 1d6e s ASP 29 Ca 0.00 -0.10 -0.30 0.00 0.71 0.00 0.00 52.55 52.87 1d6e s ASP 29 Cb 0.00 -1.16 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 1d6e s ASP 29 CO 0.00 0.29 1.18 -0.70 0.21 0.00 0.00 175.17 176.15 1d6e s GLU 30 N -1.40 4.35 -0.12 8.23 2.12 -1.26 -0.07 118.70 130.54 1d6e s GLU 30 Ca 0.17 1.63 -0.25 0.00 0.36 0.00 0.00 54.97 56.89 1d6e s GLU 30 Cb -0.11 -3.58 -0.27 0.00 0.26 0.00 0.00 34.13 30.43 1d6e s GLU 30 CO 0.08 -0.46 0.72 0.82 -0.54 0.00 0.00 175.26 175.88 1d6e h ILE 31 N 5.07 1.53 -2.18 -3.70 2.04 -1.08 -3.41 117.51 115.79 1d6e h ILE 31 Ca -0.33 -2.39 0.21 0.00 1.00 0.00 0.00 64.86 63.35 1d6e h ILE 31 Cb 1.15 3.14 -0.09 0.00 -0.74 0.00 0.00 36.82 40.28 1d6e h ILE 31 CO 0.89 0.62 0.55 0.72 0.00 0.00 0.00 178.15 180.93 1d6e s PHE 32 N -2.33 -0.10 0.10 1.37 -0.12 -1.23 -1.06 117.98 114.62 1d6e s PHE 32 Ca -0.19 -0.17 -0.04 0.00 -0.05 0.00 0.00 56.93 56.48 1d6e s PHE 32 Cb -0.00 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 1d6e s PHE 32 CO 0.73 -0.73 0.11 -3.38 -0.05 0.00 0.00 175.22 171.90 1d6e s HIS 33 N -3.08 0.50 -0.20 3.49 -3.43 -0.83 -1.71 115.29 110.03 1d6e s HIS 33 Ca 0.13 -0.94 -0.08 0.00 -0.80 0.00 0.00 55.06 53.37 1d6e s HIS 33 Cb -0.00 -0.27 -0.04 0.00 -1.43 0.00 0.00 32.58 30.84 1d6e s HIS 33 CO 0.01 -0.52 0.09 0.08 -2.00 0.00 0.00 174.74 172.40 1d6e s VAL 34 N -3.95 4.92 -0.52 -5.38 1.01 -0.53 -1.21 120.40 114.74 1d6e s VAL 34 Ca 0.13 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.88 1d6e s VAL 34 Cb 0.06 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1d6e s VAL 34 CO -0.05 0.43 0.95 -0.62 0.00 0.00 0.00 175.10 175.81 1d6e s ASP 35 N 0.58 6.40 0.23 3.32 -1.08 -0.70 -4.62 116.67 120.80 1d6e s ASP 35 Ca 0.05 -0.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.15 1d6e s ASP 35 Cb -0.13 -2.45 0.94 0.00 -1.46 0.00 0.00 42.92 39.82 1d6e s ASP 35 CO 0.01 -1.18 1.68 0.23 0.52 0.00 0.00 175.17 176.43 1d6e n MET 36 N 7.42 0.17 -0.01 4.34 2.81 -1.26 -0.15 117.12 130.45 1d6e n MET 36 Ca 0.04 0.40 -0.22 0.00 -1.81 0.00 0.00 57.70 56.11 1d6e n MET 36 Cb 0.48 -1.83 -0.14 0.00 -0.71 0.00 0.00 33.22 31.02 1d6e n MET 36 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1d6e h ALA 37 N 2.29 0.35 0.00 3.04 0.00 -1.97 -3.35 119.26 119.63 1d6e h ALA 37 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.60 1d6e h ALA 37 Cb 0.35 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1d6e h ALA 37 CO 0.00 1.13 -0.39 1.63 0.00 0.00 0.00 179.25 181.62 1d6e n LYS 38 N -3.71 0.12 -3.63 0.00 5.02 -1.19 -4.96 118.16 109.81 1d6e n LYS 38 Ca -0.31 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 55.83 1d6e n LYS 38 Cb 0.97 -1.59 0.05 0.00 -0.02 0.00 0.00 35.03 34.44 1d6e n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d6e n LYS 39 N -1.78 -5.65 -4.08 1.97 5.02 0.79 -5.00 118.16 109.44 1d6e n LYS 39 Ca 0.05 0.70 -0.07 0.00 -2.02 0.00 0.00 58.31 56.97 1d6e n LYS 39 Cb 0.38 -5.45 -0.10 0.00 -0.02 0.00 0.00 35.03 29.84 1d6e n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1d6e s GLU 40 N -5.87 0.59 -0.14 1.97 -1.05 -1.12 -4.55 118.70 108.53 1d6e s GLU 40 Ca 0.09 -1.16 -0.27 0.00 -0.15 0.00 0.00 54.97 53.48 1d6e s GLU 40 Cb -0.04 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 1d6e s GLU 40 CO 0.78 -0.11 0.89 0.99 0.95 0.00 0.00 175.26 178.76 1d6e s THR 41 N -3.69 4.86 -0.39 1.83 2.01 -1.26 -1.73 115.64 117.26 1d6e s THR 41 Ca 0.05 1.77 -0.09 0.00 0.31 0.00 0.00 61.69 63.73 1d6e s THR 41 Cb 0.06 -4.20 0.06 0.00 0.01 0.00 0.00 72.50 68.44 1d6e s THR 41 CO -0.09 0.03 0.21 -0.69 -0.69 0.00 0.00 174.62 173.39 1d6e s VAL 42 N 2.01 4.16 0.29 3.82 1.01 -0.35 -4.98 120.40 126.35 1d6e s VAL 42 Ca 0.42 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 1d6e s VAL 42 Cb -0.17 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 1d6e s VAL 42 CO 0.15 -0.37 0.94 0.26 0.00 0.00 0.00 175.10 176.08 1d6e s TRP 43 N 1.44 3.82 0.24 5.22 0.52 -1.26 -1.96 118.94 126.96 1d6e s TRP 43 Ca 0.02 1.84 -0.06 0.00 0.02 0.00 0.00 56.10 57.91 1d6e s TRP 43 Cb -0.21 -2.95 0.24 0.00 -1.15 0.00 0.00 33.47 29.40 1d6e s TRP 43 CO 0.03 0.32 1.90 -0.09 0.02 0.00 0.00 176.95 179.13 1d6e h ARG 44 N 3.59 1.30 -5.57 4.98 9.65 -1.32 -3.40 114.38 123.60 1d6e h ARG 44 Ca -0.46 -0.11 -0.62 0.00 -1.10 0.00 0.00 59.98 57.70 1d6e h ARG 44 Cb 1.19 -0.28 -0.31 0.00 -1.39 0.00 0.00 29.97 29.18 1d6e h ARG 44 CO 0.66 0.89 -0.86 -0.51 2.80 0.00 0.00 179.97 182.96 1d6e s LEU 45 N -10.04 1.98 0.17 3.80 1.43 -1.26 -5.05 118.68 109.70 1d6e s LEU 45 Ca -0.13 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 1d6e s LEU 45 Cb 0.18 -1.15 0.10 0.00 0.03 0.00 0.00 46.19 45.35 1d6e s LEU 45 CO 0.82 0.19 1.64 -0.33 0.23 0.00 0.00 176.35 178.91 1d6e h GLU 46 N 6.21 -0.08 -0.59 1.70 5.08 -1.99 -2.22 114.58 122.68 1d6e h GLU 46 Ca -0.32 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.22 1d6e h GLU 46 Cb 1.18 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1d6e h GLU 46 CO 0.47 -0.05 0.55 1.05 -1.00 0.00 0.00 179.01 180.03 1d6e h GLU 47 N -0.08 0.00 -0.68 2.33 9.09 -1.96 0.31 114.58 123.59 1d6e h GLU 47 Ca 0.20 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.69 1d6e h GLU 47 Cb 0.39 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.45 1d6e h GLU 47 CO -0.46 0.00 0.45 0.74 0.05 0.00 0.00 179.01 179.78 1d6e h PHE 48 N 0.00 0.62 0.00 2.06 0.05 -1.81 -1.00 116.94 116.87 1d6e h PHE 48 Ca 0.28 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.08 1d6e h PHE 48 Cb 1.37 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 39.11 1d6e h PHE 48 CO 0.00 0.31 -0.05 0.78 -0.18 0.00 0.00 178.31 179.17 1d6e h GLY 49 N 0.60 0.00 1.20 -1.45 0.00 -1.09 -2.16 103.07 100.17 1d6e h GLY 49 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1d6e h GLY 49 CO -0.10 0.00 -0.09 0.54 0.00 0.00 0.00 176.54 176.90 1d6e n ARG 50 N -3.64 0.53 -0.01 4.80 1.74 -0.38 -3.99 116.66 115.71 1d6e n ARG 50 Ca -0.02 -0.13 0.01 0.00 -0.77 0.00 0.00 57.85 56.94 1d6e n ARG 50 Cb 0.16 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 1d6e n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1d6e n PHE 51 N -1.13 0.00 -4.20 -1.55 3.01 -0.83 -5.07 117.46 107.70 1d6e n PHE 51 Ca 0.14 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.46 1d6e n PHE 51 Cb 0.27 -0.24 -0.09 0.00 -0.01 0.00 0.00 39.48 39.41 1d6e n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1d6e s ALA 52 N -2.43 1.19 0.07 4.37 0.00 -1.08 -5.16 121.76 118.72 1d6e s ALA 52 Ca -0.03 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.20 1d6e s ALA 52 Cb 0.04 1.37 -0.04 0.00 0.00 0.00 0.00 23.12 24.49 1d6e s ALA 52 CO 0.32 -0.65 0.01 -1.54 0.00 0.00 0.00 175.76 173.90 1d6e s SER 53 N -3.21 0.42 -0.19 0.00 1.04 -1.26 -4.65 113.70 105.84 1d6e s SER 53 Ca 0.37 -0.99 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 1d6e s SER 53 Cb 0.05 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.46 1d6e s SER 53 CO 0.17 -0.64 0.48 0.12 0.98 0.00 0.00 173.24 174.35 1d6e s PHE 54 N -3.93 -0.67 -0.89 5.02 5.36 -1.26 -5.10 117.98 116.51 1d6e s PHE 54 Ca 0.09 1.45 -0.24 0.00 -0.96 0.00 0.00 56.93 57.27 1d6e s PHE 54 Cb 0.08 0.31 0.06 0.00 -0.34 0.00 0.00 43.02 43.12 1d6e s PHE 54 CO -0.08 -0.36 1.31 -1.21 -1.46 0.00 0.00 175.22 173.42 1d6e s GLU 55 N 1.16 3.43 0.31 10.12 0.41 -1.26 -4.76 118.70 128.11 1d6e s GLU 55 Ca -0.07 -0.91 0.05 0.00 -0.41 0.00 0.00 54.97 53.63 1d6e s GLU 55 Cb -0.07 -4.84 0.69 0.00 -1.78 0.00 0.00 34.13 28.13 1d6e s GLU 55 CO -0.11 -2.10 1.82 0.00 -0.49 0.00 0.00 175.26 174.38 1d6e h ALA 56 N 9.73 1.66 -0.26 5.21 0.00 -1.92 -1.97 119.26 131.71 1d6e h ALA 56 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1d6e h ALA 56 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1d6e h ALA 56 CO 1.32 0.04 0.22 1.96 0.00 0.00 0.00 179.25 182.79 1d6e h GLN 57 N 0.84 0.00 0.00 0.00 4.20 -1.90 -1.09 115.11 117.15 1d6e h GLN 57 Ca 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1d6e h GLN 57 Cb 0.71 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 1d6e h GLN 57 CO -0.29 0.00 -0.04 0.78 -0.67 0.00 0.00 178.83 178.60 1d6e h GLY 58 N 0.00 0.00 0.94 3.46 0.00 -1.77 -2.45 103.07 103.25 1d6e h GLY 58 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1d6e h GLY 58 CO -0.00 0.00 0.63 0.00 0.00 0.00 0.00 176.54 177.17 1d6e h ALA 59 N 1.96 1.24 -0.58 3.60 0.00 -1.36 -2.54 119.26 121.57 1d6e h ALA 59 Ca -0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1d6e h ALA 59 Cb 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1d6e h ALA 59 CO 0.01 0.55 0.38 -0.07 0.00 0.00 0.00 179.25 180.12 1d6e h LEU 60 N 1.25 0.47 -0.67 0.00 4.07 -1.59 -1.21 115.31 117.63 1d6e h LEU 60 Ca 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.30 1d6e h LEU 60 Cb -0.07 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 1d6e h LEU 60 CO -0.10 0.30 0.32 0.00 -1.08 0.00 0.00 178.44 177.88 1d6e h ALA 61 N 1.69 0.86 -0.41 1.53 0.00 -1.58 -1.12 119.26 120.23 1d6e h ALA 61 Ca 0.25 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1d6e h ALA 61 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1d6e h ALA 61 CO -0.07 0.42 -0.17 -0.91 0.00 0.00 0.00 179.25 178.52 1d6e h ASN 62 N 0.93 0.87 -0.76 0.00 4.21 -1.30 -2.75 115.58 116.77 1d6e h ASN 62 Ca 0.23 -0.39 -0.04 0.00 1.21 0.00 0.00 56.30 57.31 1d6e h ASN 62 Cb 0.12 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.05 1d6e h ASN 62 CO -0.03 1.07 0.32 0.40 -1.29 0.00 0.00 177.43 177.90 1d6e h ILE 63 N 0.66 1.25 -0.63 2.81 1.08 -1.05 -0.05 117.51 121.58 1d6e h ILE 63 Ca 0.10 -0.78 -0.03 0.00 -0.39 0.00 0.00 64.86 63.76 1d6e h ILE 63 Cb 0.72 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 1d6e h ILE 63 CO 0.05 0.32 0.26 0.00 -0.69 0.00 0.00 178.15 178.09 1d6e h ALA 64 N 1.24 0.81 -0.49 1.87 0.00 -1.13 -1.44 119.26 120.13 1d6e h ALA 64 Ca 0.26 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1d6e h ALA 64 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1d6e h ALA 64 CO -0.02 0.42 -0.03 0.28 0.00 0.00 0.00 179.25 179.90 1d6e h VAL 65 N 0.88 1.25 -0.83 0.00 2.07 -1.18 -2.29 116.25 116.15 1d6e h VAL 65 Ca 0.21 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1d6e h VAL 65 Cb 0.19 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1d6e h VAL 65 CO -0.02 0.38 0.37 0.44 0.02 0.00 0.00 177.57 178.76 1d6e h ASP 66 N 0.77 1.10 -0.56 0.57 3.32 -0.37 -1.46 116.42 119.80 1d6e h ASP 66 Ca 0.14 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1d6e h ASP 66 Cb 0.51 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1d6e h ASP 66 CO 0.03 0.94 0.01 0.50 -1.72 0.00 0.00 179.24 179.00 1d6e h LYS 67 N 1.19 1.02 -0.67 3.56 3.64 -1.04 -1.23 116.57 123.03 1d6e h LYS 67 Ca 0.28 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1d6e h LYS 67 Cb 0.15 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1d6e h LYS 67 CO -0.03 0.99 0.34 0.00 -2.27 0.00 0.00 179.45 178.47 1d6e h ALA 68 N 1.07 0.86 -0.22 5.00 0.00 -0.95 -0.68 119.26 124.34 1d6e h ALA 68 Ca 0.17 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1d6e h ALA 68 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1d6e h ALA 68 CO 0.03 0.41 -0.37 -0.91 0.00 0.00 0.00 179.25 178.41 1d6e h ASN 69 N 0.93 0.51 -0.46 0.00 2.35 -1.08 -2.70 115.58 115.13 1d6e h ASN 69 Ca 0.23 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1d6e h ASN 69 Cb 0.09 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1d6e h ASN 69 CO -0.03 0.84 0.17 0.25 -1.65 0.00 0.00 177.43 177.01 1d6e h LEU 70 N 0.41 0.65 -0.48 1.61 5.85 -0.66 0.95 115.31 123.63 1d6e h LEU 70 Ca 0.04 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1d6e h LEU 70 Cb 0.83 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1d6e h LEU 70 CO 0.07 0.65 0.22 -0.08 -0.34 0.00 0.00 178.44 178.96 1d6e h GLU 71 N 0.60 0.41 -0.41 1.25 4.57 -1.01 0.14 114.58 120.15 1d6e h GLU 71 Ca 0.15 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1d6e h GLU 71 Cb 0.22 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1d6e h GLU 71 CO -0.01 0.27 -0.08 0.82 -1.18 0.00 0.00 179.01 178.84 1d6e h ILE 72 N 0.43 1.27 0.00 2.32 2.04 -1.15 -2.94 117.51 119.49 1d6e h ILE 72 Ca 0.22 -1.16 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 1d6e h ILE 72 Cb 0.17 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1d6e h ILE 72 CO -0.18 0.39 -0.54 0.24 0.00 0.00 0.00 178.15 178.05 1d6e h MET 73 N 0.59 0.00 -0.73 2.37 2.86 -0.49 -1.68 114.93 117.84 1d6e h MET 73 Ca 0.11 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1d6e h MET 73 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1d6e h MET 73 CO 0.04 0.54 0.43 1.15 1.06 0.00 0.00 176.91 180.13 1d6e h THR 74 N 0.00 1.21 0.01 2.22 2.02 -0.61 -1.97 112.91 115.80 1d6e h THR 74 Ca -0.01 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1d6e h THR 74 Cb 0.97 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1d6e h THR 74 CO 0.07 0.23 -0.00 0.11 0.37 0.00 0.00 175.52 176.29 1d6e h LYS 75 N 1.00 -0.01 -0.83 6.66 1.57 -1.34 0.20 116.57 123.82 1d6e h LYS 75 Ca 0.26 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.20 1d6e h LYS 75 Cb -0.01 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.20 1d6e h LYS 75 CO -0.05 0.65 0.38 0.00 -0.57 0.00 0.00 179.45 179.87 1d6e h ARG 76 N -0.69 0.50 0.00 3.15 3.08 -1.25 0.27 114.38 119.44 1d6e h ARG 76 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1d6e h ARG 76 Cb 0.67 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1d6e h ARG 76 CO 0.00 0.33 0.00 -1.13 -1.07 0.00 0.00 179.97 178.11 1d6e n SER 77 N -4.95 0.00 -2.74 7.04 3.41 -0.75 -4.87 113.62 110.76 1d6e n SER 77 Ca 0.17 -0.60 -0.11 0.00 -0.26 0.00 0.00 58.87 58.06 1d6e n SER 77 Cb 0.47 -0.06 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1d6e n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1d6e n ASN 78 N -1.06 -3.64 -4.28 4.04 5.15 0.95 -3.58 115.26 112.84 1d6e n ASN 78 Ca 0.17 -0.47 -0.35 0.00 -0.60 0.00 0.00 54.58 53.33 1d6e n ASN 78 Cb 0.11 -3.83 -0.06 0.00 -0.53 0.00 0.00 39.78 35.47 1d6e n ASN 78 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1d6e n TYR 79 N -2.99 -1.46 -2.66 1.20 4.02 0.70 -4.92 117.16 111.06 1d6e n TYR 79 Ca -0.13 0.72 -0.43 0.00 -0.01 0.00 0.00 57.90 58.05 1d6e n TYR 79 Cb 0.60 -2.79 -0.02 0.00 -0.02 0.00 0.00 39.34 37.12 1d6e n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1d6e s THR 80 N -3.67 4.68 0.77 -0.72 2.01 -1.23 -5.03 115.64 112.45 1d6e s THR 80 Ca 0.45 2.02 -0.09 0.00 0.31 0.00 0.00 61.69 64.38 1d6e s THR 80 Cb -0.25 -4.30 0.09 0.00 0.01 0.00 0.00 72.50 68.05 1d6e s THR 80 CO 0.96 -0.15 1.10 -2.16 -0.69 0.00 0.00 174.62 173.68 1d6e s PRO 81 N 3.03 1.83 0.36 4.92 0.04 -1.26 -5.02 135.00 138.91 1d6e s PRO 81 Ca 0.45 -0.28 -0.25 0.00 0.04 0.00 0.00 61.00 60.96 1d6e s PRO 81 Cb -0.16 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1d6e s PRO 81 CO 0.08 -1.54 1.00 -1.50 0.04 0.00 0.00 177.00 175.08 1d6e s ILE 82 N -3.42 3.99 -0.24 0.56 2.07 -1.26 -5.03 121.20 117.87 1d6e s ILE 82 Ca 0.63 1.56 -0.18 0.00 -1.41 0.00 0.00 60.65 61.26 1d6e s ILE 82 Cb -0.09 -3.83 -0.03 0.00 0.13 0.00 0.00 42.46 38.64 1d6e s ILE 82 CO 0.47 0.05 0.50 -0.89 -1.91 0.00 0.00 174.94 173.16 1d6e s THR 83 N -1.67 5.09 0.18 4.00 2.01 -1.26 -5.01 115.64 118.97 1d6e s THR 83 Ca 0.54 0.87 -0.31 0.00 0.31 0.00 0.00 61.69 63.11 1d6e s THR 83 Cb -0.20 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1d6e s THR 83 CO 0.25 0.12 1.52 0.20 -0.69 0.00 0.00 174.62 176.02 1d6e s ASN 84 N 1.42 6.63 -0.22 3.53 0.01 -1.26 -4.76 114.94 120.29 1d6e s ASN 84 Ca 0.21 2.60 0.01 0.00 -0.71 0.00 0.00 52.86 54.97 1d6e s ASN 84 Cb -0.16 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 38.95 1d6e s ASN 84 CO 0.09 -0.78 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.12 1d6e s VAL 85 N 0.85 1.70 0.42 1.60 1.01 -0.66 -4.86 120.40 120.45 1d6e s VAL 85 Ca 0.67 -1.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 1d6e s VAL 85 Cb -0.43 -1.83 -0.08 0.00 0.00 0.00 0.00 36.38 34.04 1d6e s VAL 85 CO 0.34 0.06 1.28 -2.16 0.00 0.00 0.00 175.10 174.62 1d6e s PRO 86 N 1.35 3.88 0.34 2.72 0.04 -1.26 -2.68 135.00 139.39 1d6e s PRO 86 Ca -0.04 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1d6e s PRO 86 Cb -0.18 -2.66 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 1d6e s PRO 86 CO -0.07 -0.55 0.77 -1.25 0.04 0.00 0.00 177.00 175.94 1d6e s PRO 87 N -2.36 4.05 -0.16 0.56 0.04 -1.26 -4.64 135.00 131.24 1d6e s PRO 87 Ca 0.59 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.29 1d6e s PRO 87 Cb -0.36 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1d6e s PRO 87 CO 0.46 0.13 0.16 -1.83 0.04 0.00 0.00 177.00 175.96 1d6e s GLU 88 N -2.99 3.88 -0.09 4.56 -1.05 -0.51 -4.87 118.70 117.62 1d6e s GLU 88 Ca 0.55 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.24 1d6e s GLU 88 Cb -0.10 -3.32 -0.03 0.00 -0.44 0.00 0.00 34.13 30.24 1d6e s GLU 88 CO 0.17 0.51 -0.09 0.08 0.95 0.00 0.00 175.26 176.88 1d6e s VAL 89 N -0.26 3.52 -0.03 1.83 1.01 -1.26 -1.41 120.40 123.81 1d6e s VAL 89 Ca 0.12 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1d6e s VAL 89 Cb -0.12 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1d6e s VAL 89 CO 0.02 0.57 -0.12 -0.89 0.00 0.00 0.00 175.10 174.67 1d6e s THR 90 N -0.40 1.01 -0.13 3.92 2.01 -0.49 -4.99 115.64 116.58 1d6e s THR 90 Ca 0.06 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1d6e s THR 90 Cb -0.12 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1d6e s THR 90 CO 0.02 0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.42 1d6e s VAL 91 N 0.14 2.87 0.30 3.82 1.01 -1.26 -0.36 120.40 126.92 1d6e s VAL 91 Ca -0.03 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1d6e s VAL 91 Cb -0.10 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1d6e s VAL 91 CO 0.01 0.53 0.45 -1.48 0.00 0.00 0.00 175.10 174.62 1d6e s LEU 92 N 0.36 0.78 0.23 3.92 2.34 -0.60 -4.98 118.68 120.73 1d6e s LEU 92 Ca -0.12 -1.30 0.08 0.00 0.06 0.00 0.00 54.13 52.85 1d6e s LEU 92 Cb -0.16 1.51 -0.04 0.00 -0.56 0.00 0.00 46.19 46.93 1d6e s LEU 92 CO 0.06 -1.22 0.08 0.42 -1.06 0.00 0.00 176.35 174.62 1d6e s THR 93 N -3.42 3.94 0.19 5.48 -4.23 -1.26 -0.25 115.64 116.08 1d6e s THR 93 Ca 0.28 -1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 1d6e s THR 93 Cb 0.00 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.82 1d6e s THR 93 CO 0.16 -0.28 1.63 -1.13 -0.54 0.00 0.00 174.62 174.45 1d6e h ASN 94 N 1.99 1.01 -5.64 3.99 -0.73 -0.98 -3.47 115.58 111.75 1d6e h ASN 94 Ca -0.47 -0.31 -0.31 0.00 1.87 0.00 0.00 56.30 57.08 1d6e h ASN 94 Cb 1.23 -0.27 -0.11 0.00 0.27 0.00 0.00 38.32 39.43 1d6e h ASN 94 CO 0.60 1.10 -0.37 -0.94 -0.37 0.00 0.00 177.43 177.45 1d6e s SER 95 N -6.63 0.91 0.41 1.15 1.04 -1.26 -5.01 113.70 104.31 1d6e s SER 95 Ca -0.11 -1.50 -0.26 0.00 0.48 0.00 0.00 55.95 54.56 1d6e s SER 95 Cb 0.13 0.56 -0.10 0.00 0.10 0.00 0.00 66.02 66.72 1d6e s SER 95 CO 0.86 -1.11 1.31 -2.65 0.98 0.00 0.00 173.24 172.63 1d6e n PRO 96 N -0.50 2.06 -2.88 4.02 -0.02 -1.26 -4.94 135.00 131.47 1d6e n PRO 96 Ca 0.03 0.73 -0.40 0.00 -2.02 0.00 0.00 63.50 61.84 1d6e n PRO 96 Cb 0.63 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1d6e n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d6e s VAL 97 N -1.18 4.31 -0.14 -1.45 1.01 -1.26 -5.05 120.40 116.64 1d6e s VAL 97 Ca 0.60 1.86 -0.07 0.00 0.00 0.00 0.00 61.98 64.37 1d6e s VAL 97 Cb -0.50 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 31.71 1d6e s VAL 97 CO 0.59 0.48 0.34 -1.61 0.00 0.00 0.00 175.10 174.90 1d6e s GLU 98 N -0.94 0.31 0.22 2.72 2.02 -1.26 -5.11 118.70 116.65 1d6e s GLU 98 Ca 0.39 0.70 -0.30 0.00 0.02 0.00 0.00 54.97 55.77 1d6e s GLU 98 Cb -0.24 -0.05 -0.15 0.00 0.10 0.00 0.00 34.13 33.79 1d6e s GLU 98 CO 0.28 -0.17 1.03 1.28 0.02 0.00 0.00 175.26 177.71 1d6e n LEU 99 N 4.35 1.33 -0.07 1.80 4.77 -1.26 -1.41 117.00 126.51 1d6e n LEU 99 Ca -0.23 1.16 -0.01 0.00 -0.03 0.00 0.00 56.01 56.90 1d6e n LEU 99 Cb 0.54 -1.21 -0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1d6e n LEU 99 CO 0.10 -1.52 -0.01 0.54 -1.33 0.00 0.00 177.39 175.17 1d6e n ARG 100 N 1.26 -1.77 -3.94 3.23 1.74 -0.64 -4.95 116.66 111.59 1d6e n ARG 100 Ca 0.13 0.48 -0.35 0.00 -0.77 0.00 0.00 57.85 57.34 1d6e n ARG 100 Cb 0.27 -4.82 -0.13 0.00 -1.02 0.00 0.00 32.46 26.76 1d6e n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1d6e s GLU 101 N -1.88 3.63 0.19 5.56 0.41 -0.50 -4.92 118.70 121.19 1d6e s GLU 101 Ca 0.00 -0.51 -0.31 0.00 -0.41 0.00 0.00 54.97 53.74 1d6e s GLU 101 Cb 0.00 -3.17 -0.16 0.00 -1.78 0.00 0.00 34.13 29.02 1d6e s GLU 101 CO 0.00 -0.07 0.98 -2.30 -0.49 0.00 0.00 175.26 173.38 1d6e n PRO 102 N 4.51 0.85 -4.03 0.39 -0.02 -1.26 -4.14 135.00 131.29 1d6e n PRO 102 Ca -0.17 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.48 1d6e n PRO 102 Cb 0.52 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1d6e n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1d6e s ASN 103 N -0.35 0.58 -0.05 2.55 3.84 -0.57 -5.00 114.94 115.94 1d6e s ASN 103 Ca 0.69 -1.33 0.01 0.00 0.21 0.00 0.00 52.86 52.45 1d6e s ASN 103 Cb -0.87 0.67 0.02 0.00 -0.55 0.00 0.00 41.25 40.52 1d6e s ASN 103 CO 0.55 -1.32 -0.07 -0.69 -2.79 0.00 0.00 177.10 172.78 1d6e s VAL 104 N -3.14 0.70 -0.05 -5.21 1.01 -1.26 -1.36 120.40 111.09 1d6e s VAL 104 Ca 0.27 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 1d6e s VAL 104 Cb -0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1d6e s VAL 104 CO 0.17 0.26 0.61 -0.76 0.00 0.00 0.00 175.10 175.38 1d6e s LEU 105 N 0.80 4.35 -0.17 3.92 1.43 -0.45 -0.24 118.68 128.32 1d6e s LEU 105 Ca -0.12 1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1d6e s LEU 105 Cb -0.15 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1d6e s LEU 105 CO 0.01 -0.00 -0.14 -0.63 0.23 0.00 0.00 176.35 175.82 1d6e s ILE 106 N 0.35 2.69 -0.36 -0.59 1.01 0.65 -1.55 121.20 123.40 1d6e s ILE 106 Ca 0.32 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 1d6e s ILE 106 Cb -0.17 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1d6e s ILE 106 CO 0.16 0.50 0.18 0.00 0.00 0.00 0.00 174.94 175.78 1d6e s PHE 108 N 1.52 3.21 -0.28 0.00 5.99 0.51 -1.75 117.98 127.18 1d6e s PHE 108 Ca 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 56.93 56.62 1d6e s PHE 108 Cb -0.19 -2.68 -0.03 0.00 0.00 0.00 0.00 43.02 40.12 1d6e s PHE 108 CO 0.06 -0.51 0.14 0.42 -0.00 0.00 0.00 175.22 175.33 1d6e s ILE 109 N 1.94 4.81 0.19 3.12 1.09 -0.41 -1.39 121.20 130.55 1d6e s ILE 109 Ca 0.10 -0.09 0.07 0.00 -1.10 0.00 0.00 60.65 59.63 1d6e s ILE 109 Cb -0.17 -3.32 -0.05 0.00 -1.06 0.00 0.00 42.46 37.87 1d6e s ILE 109 CO 0.12 0.23 -0.12 -0.62 -0.10 0.00 0.00 174.94 174.45 1d6e s ASP 110 N 1.68 2.33 -0.78 3.58 2.15 -0.50 -1.51 116.67 123.62 1d6e s ASP 110 Ca 0.06 -1.04 -0.00 0.00 0.43 0.00 0.00 52.55 52.00 1d6e s ASP 110 Cb -0.16 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 1d6e s ASP 110 CO 0.07 -0.24 0.65 0.29 -0.17 0.00 0.00 175.17 175.77 1d6e n LYS 111 N -0.34 -1.45 -3.72 4.34 5.02 -0.87 -1.43 118.16 119.71 1d6e n LYS 111 Ca -0.08 1.09 -0.10 0.00 -2.02 0.00 0.00 58.31 57.20 1d6e n LYS 111 Cb 0.61 -3.82 -0.06 0.00 -0.02 0.00 0.00 35.03 31.74 1d6e n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1d6e s PHE 112 N -2.98 -0.07 -0.10 2.13 -0.12 -1.19 -4.06 117.98 111.58 1d6e s PHE 112 Ca 0.00 -0.29 -0.31 0.00 -0.05 0.00 0.00 56.93 56.29 1d6e s PHE 112 Cb -0.00 0.14 0.10 0.00 -0.63 0.00 0.00 43.02 42.62 1d6e s PHE 112 CO 0.83 -0.64 0.82 0.99 -0.05 0.00 0.00 175.22 177.18 1d6e s THR 113 N -3.79 0.00 0.92 -4.49 2.01 -1.09 -1.28 115.64 107.92 1d6e s THR 113 Ca 0.03 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1d6e s THR 113 Cb 0.03 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.68 1d6e s THR 113 CO -0.11 0.00 1.10 -2.16 -0.69 0.00 0.00 174.62 172.75 1d6e s PRO 114 N -1.13 1.04 -0.88 4.92 0.04 -1.26 -1.66 135.00 136.08 1d6e s PRO 114 Ca -0.07 0.62 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 1d6e s PRO 114 Cb -0.00 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.62 1d6e s PRO 114 CO 0.06 -2.34 2.00 -0.35 0.04 0.00 0.00 177.00 176.41 1d6e n PRO 115 N -3.92 1.76 -3.70 0.56 -0.04 -1.26 -4.77 135.00 123.62 1d6e n PRO 115 Ca 0.06 -1.88 -0.13 0.00 -0.04 0.00 0.00 63.50 61.52 1d6e n PRO 115 Cb 0.57 -2.89 -0.13 0.00 -0.04 0.00 0.00 33.50 31.00 1d6e n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1d6e s VAL 116 N 4.55 -0.17 -0.01 0.52 1.01 -1.26 -5.05 120.40 119.99 1d6e s VAL 116 Ca 0.54 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.49 1d6e s VAL 116 Cb 0.14 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 36.14 1d6e s VAL 116 CO 0.07 0.08 0.47 -0.69 0.00 0.00 0.00 175.10 175.02 1d6e s VAL 117 N 1.66 0.04 -0.23 2.92 1.01 -1.26 -4.80 120.40 119.74 1d6e s VAL 117 Ca -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1d6e s VAL 117 Cb -0.11 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1d6e s VAL 117 CO -0.09 -0.17 -0.10 0.20 0.00 0.00 0.00 175.10 174.95 1d6e s ASN 118 N -1.49 4.05 -0.11 3.32 0.01 -0.99 -4.98 114.94 114.75 1d6e s ASN 118 Ca -0.10 -0.80 0.02 0.00 -0.71 0.00 0.00 52.86 51.27 1d6e s ASN 118 Cb -0.02 -1.62 -0.01 0.00 0.41 0.00 0.00 41.25 40.01 1d6e s ASN 118 CO 0.04 -0.09 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.67 1d6e s VAL 119 N 1.32 2.59 -0.03 1.60 1.01 -1.26 -0.86 120.40 124.77 1d6e s VAL 119 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1d6e s VAL 119 Cb -0.16 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1d6e s VAL 119 CO -0.06 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 174.66 1d6e s THR 120 N 0.27 0.39 0.15 3.92 2.01 -0.10 -4.99 115.64 117.29 1d6e s THR 120 Ca -0.13 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 1d6e s THR 120 Cb -0.16 -0.42 -0.07 0.00 0.01 0.00 0.00 72.50 71.86 1d6e s THR 120 CO 0.07 0.17 0.51 0.26 -0.69 0.00 0.00 174.62 174.94 1d6e s TRP 121 N 0.68 3.54 -0.04 4.92 0.52 -1.26 -0.37 118.94 126.94 1d6e s TRP 121 Ca -0.08 0.92 0.01 0.00 0.02 0.00 0.00 56.10 56.97 1d6e s TRP 121 Cb -0.11 -2.27 0.02 0.00 -1.15 0.00 0.00 33.47 29.95 1d6e s TRP 121 CO -0.00 0.40 -0.04 -0.51 0.02 0.00 0.00 176.95 176.82 1d6e s LEU 122 N -2.22 1.36 -0.25 2.99 1.43 -0.37 -1.77 118.68 119.86 1d6e s LEU 122 Ca 0.40 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1d6e s LEU 122 Cb -0.14 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.72 1d6e s LEU 122 CO 0.20 -0.05 -0.06 -0.60 0.23 0.00 0.00 176.35 176.07 1d6e s ARG 123 N 0.83 2.89 -1.42 1.70 3.52 0.73 -1.75 118.95 125.44 1d6e s ARG 123 Ca -0.10 -0.94 -0.09 0.00 -0.13 0.00 0.00 55.73 54.47 1d6e s ARG 123 Cb -0.13 -2.99 0.05 0.00 -1.56 0.00 0.00 34.95 30.32 1d6e s ARG 123 CO -0.00 -0.38 0.95 0.09 -0.81 0.00 0.00 175.30 175.15 1d6e n ASN 124 N 4.68 -3.99 0.00 -2.12 3.02 0.09 -1.67 115.26 115.27 1d6e n ASN 124 Ca -0.17 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1d6e n ASN 124 Cb 0.47 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1d6e n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d6e n GLY 125 N -1.69 1.68 3.36 7.41 0.00 -1.26 -5.02 105.19 109.67 1d6e n GLY 125 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1d6e n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d6e s LYS 126 N -0.01 2.20 0.18 1.61 1.02 -0.67 -5.02 119.74 119.04 1d6e s LYS 126 Ca 0.00 -0.88 -0.33 0.00 0.02 0.00 0.00 55.97 54.78 1d6e s LYS 126 Cb 0.00 -2.13 -0.15 0.00 -0.52 0.00 0.00 37.83 35.03 1d6e s LYS 126 CO 0.00 0.57 1.24 -2.30 -0.92 0.00 0.00 175.35 173.95 1d6e n PRO 127 N 2.34 1.39 -4.81 -1.68 -0.02 -1.26 -0.19 135.00 130.77 1d6e n PRO 127 Ca -0.16 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 1d6e n PRO 127 Cb 0.51 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.78 1d6e n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d6e s VAL 128 N -0.09 1.81 0.00 -1.45 1.01 -0.73 -4.82 120.40 116.14 1d6e s VAL 128 Ca 0.73 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1d6e s VAL 128 Cb -0.81 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1d6e s VAL 128 CO 0.51 0.50 0.00 0.35 0.00 0.00 0.00 175.10 176.46 1d6e n THR 129 N 3.87 0.00 -2.84 3.92 -2.24 -1.26 -4.31 114.28 111.42 1d6e n THR 129 Ca -0.20 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 1d6e n THR 129 Cb 0.52 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1d6e n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1d6e s THR 130 N -0.78 4.85 0.00 4.28 2.01 -1.26 -3.59 115.64 121.15 1d6e s THR 130 Ca 0.00 1.73 0.00 0.00 0.31 0.00 0.00 61.69 63.73 1d6e s THR 130 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1d6e s THR 130 CO 0.00 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1d6e n GLY 131 N 3.38 0.90 3.81 4.40 0.00 -1.26 -4.90 105.19 111.51 1d6e n GLY 131 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1d6e n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d6e s VAL 132 N -2.68 4.09 0.15 1.61 -7.23 -1.24 -4.33 120.40 110.77 1d6e s VAL 132 Ca 0.00 1.32 -0.09 0.00 -1.81 0.00 0.00 61.98 61.40 1d6e s VAL 132 Cb 0.00 -3.54 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 1d6e s VAL 132 CO 0.00 -0.27 0.27 -0.94 -0.31 0.00 0.00 175.10 173.85 1d6e s SER 133 N -2.06 0.05 0.17 4.85 1.04 -1.12 -5.00 113.70 111.63 1d6e s SER 133 Ca 0.64 -0.81 -0.16 0.00 0.48 0.00 0.00 55.95 56.10 1d6e s SER 133 Cb -0.13 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.44 1d6e s SER 133 CO 0.17 -0.86 0.47 -1.83 0.98 0.00 0.00 173.24 172.16 1d6e s GLU 134 N -3.94 1.28 0.47 4.02 -1.05 -1.26 -0.54 118.70 117.67 1d6e s GLU 134 Ca 0.14 -0.85 0.07 0.00 -0.15 0.00 0.00 54.97 54.18 1d6e s GLU 134 Cb 0.04 0.49 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1d6e s GLU 134 CO -0.03 -0.53 0.64 0.95 0.95 0.00 0.00 175.26 177.25 1d6e s THR 135 N -3.86 2.82 0.00 1.83 -4.23 0.06 -5.00 115.64 107.26 1d6e s THR 135 Ca 0.08 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1d6e s THR 135 Cb 0.00 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1d6e s THR 135 CO -0.05 0.00 0.00 1.33 -0.54 0.00 0.00 174.62 175.36 1d6e n VAL 136 N -2.00 0.00 -2.58 2.29 0.24 -1.26 -4.66 118.33 110.36 1d6e n VAL 136 Ca 0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.97 1d6e n VAL 136 Cb 0.59 -1.62 -0.03 0.00 -1.47 0.00 0.00 33.84 31.32 1d6e n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1d6e s PHE 137 N -0.15 3.35 -0.11 6.34 0.40 -1.26 -4.65 117.98 121.89 1d6e s PHE 137 Ca 0.00 1.41 -0.09 0.00 -0.60 0.00 0.00 56.93 57.65 1d6e s PHE 137 Cb 0.00 -3.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 1d6e s PHE 137 CO 0.00 -0.75 0.19 -0.51 0.70 0.00 0.00 175.22 174.85 1d6e s LEU 138 N 2.20 4.37 0.52 -0.37 1.43 -0.30 -4.92 118.68 121.61 1d6e s LEU 138 Ca 0.52 0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 1d6e s LEU 138 Cb -0.21 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 1d6e s LEU 138 CO 0.19 0.35 1.02 -2.16 0.23 0.00 0.00 176.35 175.97 1d6e s PRO 139 N -0.76 3.76 0.32 1.29 0.04 -1.26 -0.92 135.00 137.47 1d6e s PRO 139 Ca 0.15 1.18 0.10 0.00 0.04 0.00 0.00 61.00 62.48 1d6e s PRO 139 Cb -0.13 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1d6e s PRO 139 CO 0.05 -0.44 -0.13 1.03 0.04 0.00 0.00 177.00 177.54 1d6e s ARG 140 N -3.68 1.77 0.37 4.56 0.52 -0.96 -4.80 118.95 116.72 1d6e s ARG 140 Ca 0.63 -1.88 0.27 0.00 -0.52 0.00 0.00 55.73 54.24 1d6e s ARG 140 Cb -0.14 -1.72 1.14 0.00 0.52 0.00 0.00 34.95 34.75 1d6e s ARG 140 CO 0.27 0.21 1.82 0.93 0.02 0.00 0.00 175.30 178.54 1d6e h GLU 141 N 2.11 0.00 -0.53 3.54 5.08 -1.98 -0.70 114.58 122.11 1d6e h GLU 141 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1d6e h GLU 141 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1d6e h GLU 141 CO 0.67 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.28 1d6e n ASP 142 N -2.55 3.24 -1.54 1.42 5.68 -1.26 -4.93 116.55 116.61 1d6e n ASP 142 Ca 0.01 -1.97 -0.14 0.00 -0.50 0.00 0.00 54.79 52.19 1d6e n ASP 142 Cb 0.25 -0.35 -0.01 0.00 -1.14 0.00 0.00 41.12 39.87 1d6e n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1d6e n HIS 143 N 1.29 -0.58 -2.89 2.11 8.25 -0.27 -5.01 115.22 118.12 1d6e n HIS 143 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1d6e n HIS 143 Cb 0.53 -2.95 0.00 0.00 1.12 0.00 0.00 29.99 28.70 1d6e n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1d6e n LEU 144 N -1.97 0.00 -4.36 2.41 4.77 -1.26 -4.88 117.00 111.71 1d6e n LEU 144 Ca -0.16 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.63 1d6e n LEU 144 Cb 0.61 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1d6e n LEU 144 CO 0.20 -0.19 -0.31 -0.36 -1.33 0.00 0.00 177.39 175.39 1d6e s PHE 145 N 0.93 1.67 0.25 -1.77 0.40 -0.40 -2.25 117.98 116.80 1d6e s PHE 145 Ca 0.00 -0.94 0.05 0.00 -0.60 0.00 0.00 56.93 55.44 1d6e s PHE 145 Cb 0.00 -0.99 -0.05 0.00 0.51 0.00 0.00 43.02 42.48 1d6e s PHE 145 CO 0.00 -0.04 -0.04 1.03 0.70 0.00 0.00 175.22 176.87 1d6e s ARG 146 N -3.88 1.44 -0.28 0.44 0.52 -0.10 -2.05 118.95 115.04 1d6e s ARG 146 Ca 0.31 -1.72 -0.23 0.00 -0.52 0.00 0.00 55.73 53.57 1d6e s ARG 146 Cb 0.06 -0.92 0.13 0.00 0.52 0.00 0.00 34.95 34.74 1d6e s ARG 146 CO 0.11 -0.01 1.03 0.21 0.02 0.00 0.00 175.30 176.66 1d6e s LYS 147 N -3.78 0.47 -0.04 3.54 2.20 -0.57 -1.15 119.74 120.41 1d6e s LYS 147 Ca 0.28 0.60 0.06 0.00 -0.36 0.00 0.00 55.97 56.56 1d6e s LYS 147 Cb 0.04 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 1d6e s LYS 147 CO 0.10 -0.06 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.74 1d6e s PHE 148 N 0.43 2.47 -0.04 4.03 0.40 -1.26 -1.29 117.98 122.72 1d6e s PHE 148 Ca 0.01 -0.49 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1d6e s PHE 148 Cb -0.05 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 1d6e s PHE 148 CO -0.08 -0.06 -0.18 -1.01 0.70 0.00 0.00 175.22 174.58 1d6e s HIS 149 N -0.43 1.76 0.11 0.36 3.76 -0.72 -0.76 115.29 119.37 1d6e s HIS 149 Ca 0.05 -0.48 0.10 0.00 -0.15 0.00 0.00 55.06 54.58 1d6e s HIS 149 Cb -0.12 -1.18 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 1d6e s HIS 149 CO 0.01 -0.15 -0.26 0.71 -0.85 0.00 0.00 174.74 174.20 1d6e s TYR 150 N -0.06 2.33 -0.23 1.40 1.51 0.29 -0.90 117.35 121.69 1d6e s TYR 150 Ca -0.02 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1d6e s TYR 150 Cb -0.11 -1.30 0.09 0.00 -0.11 0.00 0.00 41.96 40.53 1d6e s TYR 150 CO 0.02 0.28 0.14 -1.17 -1.11 0.00 0.00 175.55 173.71 1d6e s LEU 151 N -1.83 0.29 0.37 -1.29 2.96 -0.59 -2.78 118.68 115.79 1d6e s LEU 151 Ca 0.14 -0.79 -0.27 0.00 -0.22 0.00 0.00 54.13 52.99 1d6e s LEU 151 Cb -0.10 -0.12 -0.09 0.00 0.50 0.00 0.00 46.19 46.38 1d6e s LEU 151 CO 0.05 -0.38 1.22 -2.84 -1.32 0.00 0.00 176.35 173.08 1d6e s PRO 152 N 2.17 4.20 0.19 0.98 0.02 -1.26 -1.34 135.00 139.96 1d6e s PRO 152 Ca 0.06 2.00 -0.20 0.00 0.02 0.00 0.00 61.00 62.87 1d6e s PRO 152 Cb -0.16 -2.87 0.05 0.00 0.02 0.00 0.00 34.50 31.54 1d6e s PRO 152 CO -0.21 -0.25 0.58 -0.59 -0.33 0.00 0.00 177.00 176.20 1d6e s PHE 153 N -1.28 -0.33 -0.29 6.54 -0.71 -0.46 -4.92 117.98 116.53 1d6e s PHE 153 Ca 0.53 0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 56.40 1d6e s PHE 153 Cb -0.35 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 41.99 1d6e s PHE 153 CO 0.45 -0.91 0.05 -1.17 -1.34 0.00 0.00 175.22 172.29 1d6e s LEU 154 N -2.82 3.81 0.09 -1.99 2.96 -1.26 -1.51 118.68 117.96 1d6e s LEU 154 Ca 0.05 -0.90 -0.36 0.00 -0.22 0.00 0.00 54.13 52.71 1d6e s LEU 154 Cb -0.01 -1.81 -0.15 0.00 0.50 0.00 0.00 46.19 44.71 1d6e s LEU 154 CO -0.07 -0.21 1.48 -2.65 -1.32 0.00 0.00 176.35 173.58 1d6e n PRO 155 N 4.78 1.59 -3.88 0.98 -0.02 -1.26 -4.80 135.00 132.41 1d6e n PRO 155 Ca -0.14 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 1d6e n PRO 155 Cb 0.47 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1d6e n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1d6e s SER 156 N 0.99 0.03 0.49 2.55 0.15 -1.26 -1.62 113.70 115.03 1d6e s SER 156 Ca 0.83 -0.18 0.28 0.00 0.70 0.00 0.00 55.95 57.59 1d6e s SER 156 Cb -0.84 0.20 0.86 0.00 -1.71 0.00 0.00 66.02 64.54 1d6e s SER 156 CO 0.44 -0.32 1.80 0.71 1.20 0.00 0.00 173.24 177.08 1d6e h THR 157 N 4.40 0.04 -0.47 6.45 1.35 -1.94 -3.24 112.91 119.51 1d6e h THR 157 Ca -0.30 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1d6e h THR 157 Cb 1.20 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1d6e h THR 157 CO 0.41 0.02 0.00 -1.84 -0.25 0.00 0.00 175.52 173.86 1d6e n GLU 158 N -3.11 2.37 -4.63 4.72 0.28 -1.26 -4.91 120.64 114.10 1d6e n GLU 158 Ca 0.02 -2.10 -0.31 0.00 -0.16 0.00 0.00 57.16 54.62 1d6e n GLU 158 Cb 0.42 -1.48 -0.13 0.00 1.43 0.00 0.00 31.44 31.68 1d6e n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1d6e s ASP 159 N -1.27 3.82 0.02 -1.84 1.01 -1.22 -5.01 116.67 112.18 1d6e s ASP 159 Ca 0.39 -0.43 0.05 0.00 0.71 0.00 0.00 52.55 53.27 1d6e s ASP 159 Cb 0.21 -0.62 -0.02 0.00 1.01 0.00 0.00 42.92 43.51 1d6e s ASP 159 CO 0.29 0.25 -0.14 0.68 0.21 0.00 0.00 175.17 176.47 1d6e s VAL 160 N -0.94 1.08 0.18 -1.27 -7.23 -1.26 -4.44 120.40 106.52 1d6e s VAL 160 Ca 0.15 -0.82 0.09 0.00 -1.81 0.00 0.00 61.98 59.59 1d6e s VAL 160 Cb -0.11 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 1d6e s VAL 160 CO 0.06 0.12 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.47 1d6e s TYR 161 N -0.63 1.93 -0.06 2.82 1.51 0.55 -0.73 117.35 122.74 1d6e s TYR 161 Ca 0.03 -0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1d6e s TYR 161 Cb -0.07 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1d6e s TYR 161 CO 0.01 0.39 0.16 -0.51 -1.11 0.00 0.00 175.55 174.49 1d6e s ASP 162 N -2.80 -0.16 -0.27 2.29 1.01 -0.72 0.19 116.67 116.21 1d6e s ASP 162 Ca 0.18 0.33 -0.08 0.00 0.71 0.00 0.00 52.55 53.69 1d6e s ASP 162 Cb -0.06 0.31 -0.02 0.00 1.01 0.00 0.00 42.92 44.16 1d6e s ASP 162 CO 0.08 -0.08 0.10 0.00 0.21 0.00 0.00 175.17 175.48 1d6e s ARG 164 N 1.61 3.90 -0.11 0.00 3.52 0.50 -1.10 118.95 127.27 1d6e s ARG 164 Ca 0.05 -0.35 0.02 0.00 -0.13 0.00 0.00 55.73 55.33 1d6e s ARG 164 Cb -0.16 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1d6e s ARG 164 CO 0.05 -0.19 -0.19 0.08 -0.81 0.00 0.00 175.30 174.24 1d6e s VAL 165 N 1.74 2.55 -0.12 7.11 1.01 0.06 -0.93 120.40 131.82 1d6e s VAL 165 Ca 0.07 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1d6e s VAL 165 Cb -0.16 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1d6e s VAL 165 CO 0.10 0.55 -0.15 -1.61 0.00 0.00 0.00 175.10 173.98 1d6e s GLU 166 N 0.26 3.32 -0.23 2.72 2.02 -0.04 -1.01 118.70 125.74 1d6e s GLU 166 Ca -0.13 -0.72 -0.18 0.00 0.02 0.00 0.00 54.97 53.96 1d6e s GLU 166 Cb -0.16 -2.56 0.07 0.00 0.10 0.00 0.00 34.13 31.57 1d6e s GLU 166 CO 0.07 0.21 0.60 -1.58 0.02 0.00 0.00 175.26 174.58 1d6e s HIS 167 N 0.34 -0.77 -0.52 1.61 2.46 -1.26 -2.33 115.29 114.81 1d6e s HIS 167 Ca -0.12 1.72 0.07 0.00 0.47 0.00 0.00 55.06 57.19 1d6e s HIS 167 Cb -0.16 0.35 0.36 0.00 -0.13 0.00 0.00 32.58 33.00 1d6e s HIS 167 CO 0.06 -0.38 1.12 0.91 -2.47 0.00 0.00 174.74 173.98 1d6e n TRP 168 N 3.45 0.23 1.58 3.88 8.01 -1.26 0.32 117.44 133.64 1d6e n TRP 168 Ca -0.17 0.12 0.14 0.00 -1.31 0.00 0.00 57.50 56.28 1d6e n TRP 168 Cb 0.57 -0.58 0.65 0.00 -2.01 0.00 0.00 31.31 29.93 1d6e n TRP 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1d6e n GLY 169 N -1.35 -0.61 3.46 6.99 0.00 -1.26 -4.80 105.19 107.62 1d6e n GLY 169 Ca -0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1d6e n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d6e s LEU 170 N -2.19 2.70 0.26 0.99 1.43 0.15 -4.28 118.68 117.74 1d6e s LEU 170 Ca 0.36 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 1d6e s LEU 170 Cb 0.21 -1.55 0.34 0.00 0.03 0.00 0.00 46.19 45.22 1d6e s LEU 170 CO 0.40 0.34 1.65 0.44 0.23 0.00 0.00 176.35 179.41 1d6e h ASP 171 N 5.41 0.41 -5.08 2.29 3.32 -1.87 -3.45 116.42 117.44 1d6e h ASP 171 Ca -0.45 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.32 1d6e h ASP 171 Cb 1.15 -0.11 -0.16 0.00 0.22 0.00 0.00 39.33 40.43 1d6e h ASP 171 CO 0.50 0.78 -0.33 -1.83 -1.72 0.00 0.00 179.24 176.64 1d6e s GLU 172 N -4.17 0.77 0.20 3.56 -1.05 -1.26 -5.14 118.70 111.62 1d6e s GLU 172 Ca -0.06 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 1d6e s GLU 172 Cb 0.13 0.32 -0.16 0.00 -0.44 0.00 0.00 34.13 33.98 1d6e s GLU 172 CO 0.80 -0.24 0.88 -2.30 0.95 0.00 0.00 175.26 175.34 1d6e n PRO 173 N 0.47 0.69 -3.80 -4.83 -0.02 -1.26 -4.94 135.00 121.31 1d6e n PRO 173 Ca -0.18 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 1d6e n PRO 173 Cb 0.60 -1.52 -0.06 0.00 -0.02 0.00 0.00 33.50 32.49 1d6e n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1d6e s LEU 174 N 1.38 4.41 -0.16 2.45 2.96 -0.18 -4.94 118.68 124.60 1d6e s LEU 174 Ca 0.67 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.15 1d6e s LEU 174 Cb -0.87 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 43.67 1d6e s LEU 174 CO 0.56 0.39 -0.13 -0.76 -1.32 0.00 0.00 176.35 175.09 1d6e s LEU 175 N -1.02 1.82 -0.22 -0.68 1.43 -1.26 -0.76 118.68 117.98 1d6e s LEU 175 Ca 0.17 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1d6e s LEU 175 Cb -0.13 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1d6e s LEU 175 CO 0.06 -0.08 0.04 -0.54 0.23 0.00 0.00 176.35 176.05 1d6e s LYS 176 N 1.47 3.66 0.02 1.70 -0.14 -0.26 -4.92 119.74 121.27 1d6e s LYS 176 Ca 0.03 -0.49 -0.02 0.00 -1.36 0.00 0.00 55.97 54.14 1d6e s LYS 176 Cb -0.14 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.77 1d6e s LYS 176 CO -0.10 -0.06 0.19 -1.58 -0.76 0.00 0.00 175.35 173.04 1d6e s HIS 177 N 1.23 3.54 -0.07 3.18 5.65 -1.26 0.52 115.29 128.08 1d6e s HIS 177 Ca 0.04 0.33 -0.07 0.00 0.25 0.00 0.00 55.06 55.60 1d6e s HIS 177 Cb -0.15 -1.81 0.02 0.00 -1.18 0.00 0.00 32.58 29.46 1d6e s HIS 177 CO 0.02 0.63 0.20 -0.46 -0.65 0.00 0.00 174.74 174.48 1d6e s TRP 178 N -1.39 -0.21 0.04 3.88 -0.00 0.13 -4.94 118.94 116.45 1d6e s TRP 178 Ca 0.30 0.51 -0.23 0.00 -0.00 0.00 0.00 56.10 56.67 1d6e s TRP 178 Cb -0.13 0.07 0.06 0.00 -0.00 0.00 0.00 33.47 33.47 1d6e s TRP 178 CO 0.22 -0.12 0.54 -1.83 -0.00 0.00 0.00 176.95 175.76 1d6e s GLU 179 N -0.01 1.05 0.00 5.86 -1.05 -1.26 -0.33 118.70 122.97 1d6e s GLU 179 Ca -0.01 -0.19 0.18 0.00 -0.15 0.00 0.00 54.97 54.79 1d6e s GLU 179 Cb -0.02 0.48 1.05 0.00 -0.44 0.00 0.00 34.13 35.21 1d6e s GLU 179 CO 0.00 -0.38 1.45 0.34 0.95 0.00 0.00 175.26 177.63