#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2r s LYS 3 N 0.00 0.56 0.15 -2.82 1.02 -1.26 -1.01 119.74 116.38 3h2r s LYS 3 Ca 0.00 -0.57 -0.03 0.00 0.02 0.00 0.00 55.97 55.38 3h2r s LYS 3 Cb 0.00 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 36.85 3h2r s LYS 3 CO 0.00 0.10 0.13 0.00 -0.92 0.00 0.00 175.35 174.66 3h2r s ALA 4 N -0.89 0.68 0.04 5.17 0.00 -0.46 -1.67 121.76 124.63 3h2r s ALA 4 Ca -0.04 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.44 3h2r s ALA 4 Cb -0.07 0.95 0.01 0.00 0.00 0.00 0.00 23.12 24.01 3h2r s ALA 4 CO 0.00 -0.55 0.26 0.54 0.00 0.00 0.00 175.76 176.01 3h2r s VAL 5 N -4.05 0.09 -0.06 0.00 0.11 0.09 -0.86 120.40 115.72 3h2r s VAL 5 Ca 0.25 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 3h2r s VAL 5 Cb 0.06 -0.88 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3h2r s VAL 5 CO 0.03 -0.41 0.13 0.00 -3.33 0.00 0.00 175.10 171.52 3h2r s VAL 7 N 1.17 5.00 -0.12 0.00 1.01 -1.26 -0.75 120.40 125.46 3h2r s VAL 7 Ca -0.09 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 3h2r s VAL 7 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3h2r s VAL 7 CO -0.05 0.16 0.64 -0.76 0.00 0.00 0.00 175.10 175.08 3h2r s LEU 8 N 1.70 4.26 0.04 3.92 1.43 0.43 -3.89 118.68 126.56 3h2r s LEU 8 Ca 0.06 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 3h2r s LEU 8 Cb -0.16 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 3h2r s LEU 8 CO 0.09 -0.14 -0.04 -0.54 0.23 0.00 0.00 176.35 175.94 3h2r s LYS 9 N 1.11 0.46 0.00 1.70 1.02 -0.34 -2.27 119.74 121.42 3h2r s LYS 9 Ca 0.33 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.47 3h2r s LYS 9 Cb -0.17 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 3h2r s LYS 9 CO 0.14 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 3h2r n GLY 10 N 1.06 3.58 0.20 -3.33 0.00 -1.23 -1.18 105.19 104.29 3h2r n GLY 10 Ca -0.20 -1.30 0.09 0.00 0.00 0.00 0.00 46.02 44.61 3h2r n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h2r h ASP 11 N 0.00 0.00 0.00 1.61 3.32 -1.91 -3.47 116.42 115.97 3h2r h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h2r h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h2r h ASP 11 CO 0.00 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.34 3h2r n GLY 12 N 0.81 4.47 0.03 2.75 0.00 -1.26 -5.03 105.19 106.96 3h2r n GLY 12 Ca 0.02 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.67 3h2r n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2r n PRO 13 N 0.00 0.09 -2.39 1.61 -0.05 -1.26 -4.88 135.00 128.11 3h2r n PRO 13 Ca 0.00 0.05 -0.43 0.00 -0.05 0.00 0.00 63.50 63.07 3h2r n PRO 13 Cb 0.00 -1.58 -0.02 0.00 -0.05 0.00 0.00 33.50 31.84 3h2r n PRO 13 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3h2r s VAL 14 N -3.04 4.18 0.08 0.52 1.01 -1.26 -4.26 120.40 117.63 3h2r s VAL 14 Ca 0.11 1.47 -0.18 0.00 0.00 0.00 0.00 61.98 63.39 3h2r s VAL 14 Cb 0.17 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3h2r s VAL 14 CO 0.61 -0.07 0.42 0.00 0.00 0.00 0.00 175.10 176.07 3h2r s GLN 15 N 2.93 1.00 0.01 2.72 -2.07 -0.80 -3.53 119.66 119.93 3h2r s GLN 15 Ca 0.57 -0.50 -0.29 0.00 -1.82 0.00 0.00 55.36 53.32 3h2r s GLN 15 Cb -0.24 0.45 0.11 0.00 -1.09 0.00 0.00 33.01 32.23 3h2r s GLN 15 CO 0.19 -0.37 1.23 0.20 -1.32 0.00 0.00 175.29 175.23 3h2r s GLY 16 N -2.36 -0.37 -0.09 2.60 0.00 -0.96 -0.10 107.32 106.04 3h2r s GLY 16 Ca -0.02 0.57 0.01 0.00 0.00 0.00 0.00 44.72 45.29 3h2r s GLY 16 CO -0.07 0.27 -0.12 -0.42 0.00 0.00 0.00 173.10 172.76 3h2r s ILE 17 N -2.55 1.22 -0.09 0.90 1.01 -0.99 -0.43 121.20 120.28 3h2r s ILE 17 Ca 0.14 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.34 3h2r s ILE 17 Cb 0.04 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.37 3h2r s ILE 17 CO -0.03 0.38 -0.22 -0.63 0.00 0.00 0.00 174.94 174.44 3h2r s ILE 18 N 0.99 1.93 0.07 2.92 -1.09 0.07 -2.46 121.20 123.64 3h2r s ILE 18 Ca -0.08 -0.94 0.03 0.00 -2.23 0.00 0.00 60.65 57.43 3h2r s ILE 18 Cb -0.15 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 3h2r s ILE 18 CO -0.00 0.53 0.04 0.20 -1.23 0.00 0.00 174.94 174.47 3h2r s ASN 19 N 0.37 5.29 -0.02 3.58 0.01 0.12 -0.43 114.94 123.85 3h2r s ASN 19 Ca -0.18 -0.07 0.04 0.00 -0.71 0.00 0.00 52.86 51.94 3h2r s ASN 19 Cb -0.18 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.12 3h2r s ASN 19 CO 0.08 0.19 -0.13 -0.36 -1.51 0.00 0.00 177.10 175.37 3h2r s PHE 20 N -1.32 1.19 -0.04 2.20 0.08 -0.04 -1.23 117.98 118.82 3h2r s PHE 20 Ca 0.27 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 3h2r s PHE 20 Cb -0.12 -0.78 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 3h2r s PHE 20 CO 0.19 -0.05 0.09 -2.00 -0.10 0.00 0.00 175.22 173.34 3h2r s GLU 21 N -0.17 0.06 -0.15 0.44 2.12 -0.02 -1.35 118.70 119.64 3h2r s GLU 21 Ca 0.02 0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 3h2r s GLU 21 Cb -0.06 -0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.27 3h2r s GLU 21 CO -0.00 -0.10 -0.00 -1.14 -0.54 0.00 0.00 175.26 173.48 3h2r s GLN 22 N 0.65 0.88 0.10 4.30 0.74 -0.18 -0.17 119.66 125.99 3h2r s GLN 22 Ca -0.05 -0.28 -0.08 0.00 0.05 0.00 0.00 55.36 55.00 3h2r s GLN 22 Cb -0.07 -1.71 -0.17 0.00 1.10 0.00 0.00 33.01 32.16 3h2r s GLN 22 CO -0.03 -0.47 1.24 0.87 -0.55 0.00 0.00 175.29 176.35 3h2r h LYS 23 N 8.23 0.51 -5.41 1.67 1.57 -1.84 -2.01 116.57 119.29 3h2r h LYS 23 Ca -0.20 -0.58 -0.47 0.00 -1.87 0.00 0.00 60.65 57.53 3h2r h LYS 23 Cb 1.12 0.17 -0.25 0.00 0.08 0.00 0.00 32.23 33.35 3h2r h LYS 23 CO 0.33 1.21 -0.80 -1.21 -0.57 0.00 0.00 179.45 178.41 3h2r s GLU 24 N -3.20 1.02 0.53 3.15 2.02 -1.26 -4.76 118.70 116.20 3h2r s GLU 24 Ca -0.07 -0.74 0.19 0.00 0.02 0.00 0.00 54.97 54.37 3h2r s GLU 24 Cb 0.08 -1.04 1.35 0.00 0.10 0.00 0.00 34.13 34.63 3h2r s GLU 24 CO 0.89 0.26 2.14 0.66 0.02 0.00 0.00 175.26 179.24 3h2r h SER 25 N 5.05 0.00 -0.49 -0.19 4.64 -1.98 -0.83 113.55 119.75 3h2r h SER 25 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3h2r h SER 25 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3h2r h SER 25 CO 0.45 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.95 3h2r n ASN 26 N -4.43 3.59 -4.76 4.97 6.94 -1.26 -4.86 115.26 115.45 3h2r n ASN 26 Ca -0.01 -1.99 -0.18 0.00 -0.02 0.00 0.00 54.58 52.37 3h2r n ASN 26 Cb 0.15 -0.32 0.06 0.00 -2.36 0.00 0.00 39.78 37.32 3h2r n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h2r n GLY 27 N 1.50 1.93 3.77 4.83 0.00 -0.32 -5.09 105.19 111.82 3h2r n GLY 27 Ca 0.20 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3h2r n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h2r s PRO 28 N -4.49 3.07 -0.24 1.61 0.02 -1.26 -4.87 135.00 128.84 3h2r s PRO 28 Ca 0.58 1.51 -0.11 0.00 0.02 0.00 0.00 61.00 63.00 3h2r s PRO 28 Cb -0.05 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 3h2r s PRO 28 CO 0.37 -1.06 0.19 0.08 -0.33 0.00 0.00 177.00 176.24 3h2r s VAL 29 N -2.04 5.34 -0.03 3.83 1.01 0.87 -4.46 120.40 124.93 3h2r s VAL 29 Ca 0.70 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.64 3h2r s VAL 29 Cb -0.22 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3h2r s VAL 29 CO 0.34 0.33 0.85 -0.75 0.00 0.00 0.00 175.10 175.87 3h2r s LYS 30 N 1.13 4.51 -0.13 2.72 2.47 0.76 -1.43 119.74 129.77 3h2r s LYS 30 Ca 0.09 1.18 0.01 0.00 -1.56 0.00 0.00 55.97 55.69 3h2r s LYS 30 Cb -0.14 -3.45 0.02 0.00 -1.46 0.00 0.00 37.83 32.80 3h2r s LYS 30 CO 0.05 0.01 -0.16 0.08 0.16 0.00 0.00 175.35 175.49 3h2r s VAL 31 N 0.89 1.63 0.00 4.02 1.01 0.55 -0.84 120.40 127.66 3h2r s VAL 31 Ca 0.45 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 3h2r s VAL 31 Cb -0.20 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.73 3h2r s VAL 31 CO 0.24 0.47 0.42 -1.66 0.00 0.00 0.00 175.10 174.57 3h2r s TRP 32 N 1.12 -0.31 -5.00 5.22 -2.14 -0.36 -0.30 118.94 117.17 3h2r s TRP 32 Ca -0.03 0.42 0.00 0.00 2.66 0.00 0.00 56.10 59.15 3h2r s TRP 32 Cb -0.14 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 3h2r s TRP 32 CO -0.05 -0.50 0.00 0.41 -2.66 0.00 0.00 176.95 174.15 3h2r n GLY 33 N 0.90 -0.31 3.26 3.67 0.00 -0.64 0.11 105.19 112.18 3h2r n GLY 33 Ca -0.20 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 3h2r n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2r s SER 34 N -4.00 -0.12 -0.05 1.61 1.04 -1.03 -0.56 113.70 110.59 3h2r s SER 34 Ca 0.00 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.22 3h2r s SER 34 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.50 3h2r s SER 34 CO 0.00 -0.66 -0.12 -0.63 0.98 0.00 0.00 173.24 172.82 3h2r s ILE 35 N -2.81 1.03 0.32 -1.02 1.01 -0.21 -2.34 121.20 117.19 3h2r s ILE 35 Ca -0.03 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.25 3h2r s ILE 35 Cb 0.00 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 3h2r s ILE 35 CO -0.05 0.32 0.03 -0.54 0.00 0.00 0.00 174.94 174.70 3h2r s LYS 36 N 0.41 2.17 0.00 2.79 1.02 0.86 -0.14 119.74 126.86 3h2r s LYS 36 Ca -0.09 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.26 3h2r s LYS 36 Cb -0.13 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3h2r s LYS 36 CO 0.02 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 3h2r n GLY 37 N -0.98 0.62 3.90 -3.33 0.00 -0.98 -1.90 105.19 102.52 3h2r n GLY 37 Ca -0.04 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 3h2r n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2r s LEU 38 N 0.00 4.01 0.44 0.99 1.43 -0.65 -4.27 118.68 120.63 3h2r s LEU 38 Ca 0.00 0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 53.62 3h2r s LEU 38 Cb 0.00 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.56 3h2r s LEU 38 CO 0.00 -0.24 1.15 0.42 0.23 0.00 0.00 176.35 177.90 3h2r s THR 39 N -2.16 3.22 0.28 5.49 -4.23 -1.26 -4.06 115.64 112.91 3h2r s THR 39 Ca 0.45 0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 61.59 3h2r s THR 39 Cb -0.11 -3.48 -0.13 0.00 1.34 0.00 0.00 72.50 70.13 3h2r s THR 39 CO 0.31 0.00 1.45 1.21 -0.54 0.00 0.00 174.62 177.06 3h2r n GLU 40 N -0.34 2.28 0.00 3.99 2.13 -1.26 -4.59 120.64 122.84 3h2r n GLU 40 Ca 0.06 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3h2r n GLU 40 Cb 0.48 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.69 3h2r n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h2r n GLY 41 N 1.91 0.24 3.78 8.31 0.00 -0.62 -4.91 105.19 113.90 3h2r n GLY 41 Ca 0.09 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 3h2r n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2r s LEU 42 N 0.00 4.57 -0.03 0.99 1.43 -1.26 -0.86 118.68 123.52 3h2r s LEU 42 Ca 0.00 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 3h2r s LEU 42 Cb 0.00 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 43.04 3h2r s LEU 42 CO 0.00 0.21 -0.01 -1.00 0.23 0.00 0.00 176.35 175.78 3h2r s HIS 43 N -1.06 0.38 0.43 0.29 3.76 0.25 -3.12 115.29 116.22 3h2r s HIS 43 Ca 0.34 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 54.97 3h2r s HIS 43 Cb -0.22 -0.46 -0.09 0.00 1.11 0.00 0.00 32.58 32.92 3h2r s HIS 43 CO 0.25 -0.14 1.37 0.41 -0.85 0.00 0.00 174.74 175.77 3h2r n GLY 44 N 4.16 0.83 2.68 -2.22 0.00 -0.08 -0.88 105.19 109.68 3h2r n GLY 44 Ca -0.26 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3h2r n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2r s PHE 45 N -1.19 0.89 0.03 1.61 5.36 -0.40 -0.39 117.98 123.89 3h2r s PHE 45 Ca 0.60 -0.94 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 3h2r s PHE 45 Cb -0.48 -1.08 -0.02 0.00 -0.34 0.00 0.00 43.02 41.11 3h2r s PHE 45 CO 0.58 -0.68 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.56 3h2r s HIS 46 N 1.90 0.76 -0.15 10.12 3.76 -0.36 -1.55 115.29 129.77 3h2r s HIS 46 Ca 0.03 -0.37 -0.19 0.00 -0.15 0.00 0.00 55.06 54.39 3h2r s HIS 46 Cb -0.17 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 3h2r s HIS 46 CO -0.16 -0.03 0.53 0.08 -0.85 0.00 0.00 174.74 174.30 3h2r s VAL 47 N -0.96 5.13 0.28 -0.90 1.01 0.61 -0.12 120.40 125.45 3h2r s VAL 47 Ca -0.04 1.03 0.07 0.00 0.00 0.00 0.00 61.98 63.03 3h2r s VAL 47 Cb -0.08 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3h2r s VAL 47 CO 0.01 0.25 0.28 -1.00 0.00 0.00 0.00 175.10 174.64 3h2r s HIS 48 N 1.11 3.15 0.17 5.22 3.76 0.16 -0.61 115.29 128.25 3h2r s HIS 48 Ca 0.27 -0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 54.92 3h2r s HIS 48 Cb -0.16 -1.59 0.08 0.00 1.11 0.00 0.00 32.58 32.02 3h2r s HIS 48 CO 0.11 0.37 1.74 1.49 -0.85 0.00 0.00 174.74 177.60 3h2r h GLU 49 N 1.30 0.88 -6.10 1.40 4.81 -0.80 -2.87 114.58 113.20 3h2r h GLU 49 Ca -0.48 -0.15 -0.68 0.00 -0.13 0.00 0.00 59.36 57.92 3h2r h GLU 49 Cb 1.24 -0.15 -0.19 0.00 0.63 0.00 0.00 28.75 30.29 3h2r h GLU 49 CO 0.59 0.74 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.86 3h2r s PHE 50 N -5.60 2.95 -0.54 0.92 0.08 -0.28 -4.69 117.98 110.83 3h2r s PHE 50 Ca -0.13 0.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.90 3h2r s PHE 50 Cb 0.13 -1.72 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 3h2r s PHE 50 CO 0.79 0.33 2.83 0.41 -0.10 0.00 0.00 175.22 179.47 3h2r n GLY 51 N 2.26 4.30 3.23 4.36 0.00 -1.05 -3.42 105.19 114.87 3h2r n GLY 51 Ca -0.18 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 3h2r n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h2r s ASP 52 N 0.58 5.22 -0.19 1.61 -1.08 -1.26 -4.95 116.67 116.59 3h2r s ASP 52 Ca 0.59 -1.30 0.16 0.00 -0.52 0.00 0.00 52.55 51.48 3h2r s ASP 52 Cb 0.35 -1.83 0.64 0.00 -1.46 0.00 0.00 42.92 40.61 3h2r s ASP 52 CO -0.18 -0.35 1.55 -3.20 0.52 0.00 0.00 175.17 173.51 3h2r n ASN 53 N 4.75 4.57 0.25 -0.34 5.15 -1.26 -3.35 115.26 125.02 3h2r n ASN 53 Ca -0.11 -2.95 0.10 0.00 -0.60 0.00 0.00 54.58 51.01 3h2r n ASN 53 Cb 0.44 -0.59 0.64 0.00 -0.53 0.00 0.00 39.78 39.74 3h2r n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3h2r h THR 54 N 2.67 0.79 -0.95 -0.44 1.35 -1.92 -2.10 112.91 112.30 3h2r h THR 54 Ca 0.00 -0.57 -0.53 0.00 -0.55 0.00 0.00 66.41 64.77 3h2r h THR 54 Cb 1.63 1.34 -0.42 0.00 -1.73 0.00 0.00 68.15 68.96 3h2r h THR 54 CO 0.32 0.14 -0.84 0.00 -0.25 0.00 0.00 175.52 174.89 3h2r n ALA 55 N -2.37 4.75 -1.00 6.62 0.00 -1.26 -5.05 120.51 122.20 3h2r n ALA 55 Ca -0.02 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.59 3h2r n ALA 55 Cb 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3h2r n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2r n GLY 56 N -0.61 3.26 0.25 0.00 0.00 -0.79 -2.17 105.19 105.13 3h2r n GLY 56 Ca 0.38 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.29 3h2r n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2r h THR 58 N 0.00 1.14 -0.07 0.00 2.02 -1.78 -2.70 112.91 111.52 3h2r h THR 58 Ca 0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3h2r h THR 58 Cb 0.71 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3h2r h THR 58 CO 0.00 0.22 0.00 -1.54 0.37 0.00 0.00 175.52 174.57 3h2r n SER 59 N -4.23 1.52 0.11 4.18 3.41 -1.23 -4.08 113.62 113.30 3h2r n SER 59 Ca -0.02 -1.56 0.11 0.00 -0.26 0.00 0.00 58.87 57.14 3h2r n SER 59 Cb 0.29 -0.04 0.46 0.00 -0.26 0.00 0.00 64.21 64.66 3h2r n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2r n ALA 60 N 0.20 1.66 -0.18 7.33 0.00 -1.02 -4.47 120.51 124.03 3h2r n ALA 60 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3h2r n ALA 60 Cb 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3h2r n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2r n GLY 61 N -0.01 -1.36 3.82 0.00 0.00 -1.26 -1.12 105.19 105.27 3h2r n GLY 61 Ca 0.02 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 3h2r n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h2r s PRO 62 N 0.00 0.59 0.37 1.61 0.02 -1.26 -4.61 135.00 131.71 3h2r s PRO 62 Ca 0.00 -0.08 -0.28 0.00 0.02 0.00 0.00 61.00 60.66 3h2r s PRO 62 Cb 0.00 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 3h2r s PRO 62 CO 0.00 -2.50 1.44 0.72 -0.33 0.00 0.00 177.00 176.33 3h2r n HIS 63 N -3.90 2.81 -2.13 6.54 8.25 -1.26 -0.65 115.22 124.88 3h2r n HIS 63 Ca 0.11 0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 57.62 3h2r n HIS 63 Cb 0.60 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 3h2r n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3h2r s PHE 64 N -1.10 2.68 -0.50 4.41 5.36 0.22 -4.54 117.98 124.51 3h2r s PHE 64 Ca 0.54 0.65 0.06 0.00 -0.96 0.00 0.00 56.93 57.21 3h2r s PHE 64 Cb -0.50 -3.76 0.19 0.00 -0.34 0.00 0.00 43.02 38.62 3h2r s PHE 64 CO 0.63 -2.91 0.77 -1.71 -1.46 0.00 0.00 175.22 170.54 3h2r n ASN 65 N 5.57 -3.29 0.12 6.13 5.15 -1.26 -0.45 115.26 127.22 3h2r n ASN 65 Ca 0.14 -2.79 0.03 0.00 -0.60 0.00 0.00 54.58 51.36 3h2r n ASN 65 Cb 0.43 1.68 0.14 0.00 -0.53 0.00 0.00 39.78 41.50 3h2r n ASN 65 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3h2r n PRO 66 N 2.86 0.04 -4.51 1.20 -0.02 -1.26 -4.96 135.00 128.34 3h2r n PRO 66 Ca 0.17 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.77 3h2r n PRO 66 Cb 0.57 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 3h2r n PRO 66 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3h2r s ARG 80 N -2.94 2.21 0.23 -0.52 0.52 -1.26 -5.19 118.95 112.00 3h2r s ARG 80 Ca -0.01 -0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 3h2r s ARG 80 Cb 0.02 -2.30 0.39 0.00 0.52 0.00 0.00 34.95 33.58 3h2r s ARG 80 CO 0.05 0.55 1.74 0.28 0.02 0.00 0.00 175.30 177.94 3h2r h VAL 81 N 3.76 0.72 0.00 3.52 2.07 -1.93 -1.49 116.25 122.89 3h2r h VAL 81 Ca -0.48 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3h2r h VAL 81 Cb 1.16 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3h2r h VAL 81 CO 0.50 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.78 3h2r n GLY 82 N -1.31 -1.20 3.55 2.17 0.00 0.40 -4.49 105.19 104.31 3h2r n GLY 82 Ca 0.12 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3h2r n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h2r s ASP 83 N -2.72 6.30 0.00 1.61 1.01 -0.56 -0.29 116.67 122.03 3h2r s ASP 83 Ca 0.20 -0.24 0.25 0.00 0.71 0.00 0.00 52.55 53.48 3h2r s ASP 83 Cb 0.17 -2.53 0.84 0.00 1.01 0.00 0.00 42.92 42.41 3h2r s ASP 83 CO 0.41 -1.59 1.62 0.18 0.21 0.00 0.00 175.17 176.00 3h2r n LEU 84 N 8.65 1.80 0.00 1.23 4.77 -0.60 -4.88 117.00 127.98 3h2r n LEU 84 Ca 0.05 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3h2r n LEU 84 Cb 0.49 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3h2r n LEU 84 CO 0.70 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3h2r n GLY 85 N 1.20 -0.30 3.59 -0.72 0.00 -1.22 -4.93 105.19 102.82 3h2r n GLY 85 Ca 0.18 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 3h2r n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h2r s ASN 86 N -4.00 4.58 0.16 1.61 0.01 -1.26 -1.27 114.94 114.76 3h2r s ASN 86 Ca 0.00 -0.22 0.05 0.00 -0.71 0.00 0.00 52.86 51.98 3h2r s ASN 86 Cb 0.00 -1.02 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 3h2r s ASN 86 CO 0.00 0.25 0.13 0.68 -1.51 0.00 0.00 177.10 176.64 3h2r s VAL 87 N -1.08 4.46 -0.17 1.60 -7.23 -0.06 -4.90 120.40 113.03 3h2r s VAL 87 Ca 0.19 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 3h2r s VAL 87 Cb -0.11 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.57 3h2r s VAL 87 CO 0.10 -0.09 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.73 3h2r s THR 88 N -1.72 2.29 -0.02 5.32 2.01 -1.26 -0.58 115.64 121.68 3h2r s THR 88 Ca 0.31 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 61.29 3h2r s THR 88 Cb -0.10 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 3h2r s THR 88 CO 0.23 0.53 0.36 0.00 -0.69 0.00 0.00 174.62 175.05 3h2r s ALA 89 N 1.07 3.73 0.96 7.40 0.00 -0.04 -3.98 121.76 130.90 3h2r s ALA 89 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 3h2r s ALA 89 Cb -0.14 -2.31 0.08 0.00 0.00 0.00 0.00 23.12 20.74 3h2r s ALA 89 CO -0.06 0.51 0.45 -0.40 0.00 0.00 0.00 175.76 176.26 3h2r n ASP 90 N 1.83 0.07 0.15 0.00 5.68 -0.18 -1.59 116.55 122.51 3h2r n ASP 90 Ca -0.15 -1.19 0.12 0.00 -0.50 0.00 0.00 54.79 53.07 3h2r n ASP 90 Cb 0.53 -0.34 0.53 0.00 -1.14 0.00 0.00 41.12 40.70 3h2r n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3h2r n LYS 91 N -1.95 0.18 -0.12 0.11 2.85 -1.26 -1.00 118.16 116.97 3h2r n LYS 91 Ca 0.06 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 57.94 3h2r n LYS 91 Cb 0.20 -1.92 0.22 0.00 -0.65 0.00 0.00 35.03 32.88 3h2r n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3h2r n ASP 92 N -2.27 3.05 0.00 -5.58 8.00 -1.26 -4.92 116.55 113.57 3h2r n ASP 92 Ca 0.01 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3h2r n ASP 92 Cb 0.16 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3h2r n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h2r n GLY 93 N 1.41 0.46 3.55 0.44 0.00 -0.17 -4.70 105.19 106.18 3h2r n GLY 93 Ca 0.18 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3h2r n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2r s VAL 94 N -2.00 4.66 -0.21 1.61 1.01 -1.26 -1.64 120.40 122.57 3h2r s VAL 94 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3h2r s VAL 94 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3h2r s VAL 94 CO 0.00 0.38 0.04 0.00 0.00 0.00 0.00 175.10 175.52 3h2r s ALA 95 N 1.06 3.18 0.10 5.51 0.00 0.80 -1.01 121.76 131.40 3h2r s ALA 95 Ca 0.05 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.78 3h2r s ALA 95 Cb -0.14 -1.91 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 3h2r s ALA 95 CO 0.03 -0.15 0.82 0.34 0.00 0.00 0.00 175.76 176.80 3h2r s ASP 96 N 0.99 7.34 -0.20 0.00 2.15 -1.26 -1.05 116.67 124.64 3h2r s ASP 96 Ca 0.03 1.59 -0.03 0.00 0.43 0.00 0.00 52.55 54.58 3h2r s ASP 96 Cb -0.14 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 39.97 3h2r s ASP 96 CO 0.02 0.06 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.32 3h2r s VAL 97 N -0.38 3.16 -0.32 1.11 1.01 0.28 -4.61 120.40 120.65 3h2r s VAL 97 Ca 0.40 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3h2r s VAL 97 Cb -0.22 -2.42 0.14 0.00 0.00 0.00 0.00 36.38 33.89 3h2r s VAL 97 CO 0.26 0.45 0.32 -0.55 0.00 0.00 0.00 175.10 175.58 3h2r s SER 98 N 1.33 1.52 0.02 3.32 0.15 -1.25 -1.62 113.70 117.17 3h2r s SER 98 Ca 0.04 -1.03 0.05 0.00 0.70 0.00 0.00 55.95 55.70 3h2r s SER 98 Cb -0.14 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3h2r s SER 98 CO -0.04 -0.35 -0.15 -0.63 1.20 0.00 0.00 173.24 173.28 3h2r s ILE 99 N 2.05 1.17 -0.17 6.45 1.01 0.58 -5.00 121.20 127.29 3h2r s ILE 99 Ca 0.12 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3h2r s ILE 99 Cb -0.14 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3h2r s ILE 99 CO -0.23 0.16 -0.19 -0.70 0.00 0.00 0.00 174.94 173.98 3h2r s GLU 100 N -0.79 3.05 -0.08 2.79 2.12 -1.26 -0.33 118.70 124.19 3h2r s GLU 100 Ca 0.04 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.57 3h2r s GLU 100 Cb -0.07 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.77 3h2r s GLU 100 CO 0.01 -0.13 -0.10 0.34 -0.54 0.00 0.00 175.26 174.83 3h2r s ASP 101 N 1.12 1.88 0.00 -1.70 2.15 -0.51 -4.95 116.67 114.66 3h2r s ASP 101 Ca 0.01 -0.29 0.21 0.00 0.43 0.00 0.00 52.55 52.90 3h2r s ASP 101 Cb -0.14 -0.82 0.30 0.00 -0.30 0.00 0.00 42.92 41.96 3h2r s ASP 101 CO -0.08 -0.02 1.27 -1.54 -0.17 0.00 0.00 175.17 174.63 3h2r n SER 102 N 4.22 3.09 -0.10 -0.34 3.41 -1.26 -0.09 113.62 122.55 3h2r n SER 102 Ca -0.19 -1.92 -0.23 0.00 -0.26 0.00 0.00 58.87 56.27 3h2r n SER 102 Cb 0.51 -0.14 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 3h2r n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h2r n VAL 103 N 1.28 1.57 -1.26 -3.33 0.31 -1.26 -4.85 118.33 110.78 3h2r n VAL 103 Ca 0.15 -0.45 -0.29 0.00 -0.01 0.00 0.00 64.34 63.74 3h2r n VAL 103 Cb 0.55 -1.72 0.15 0.00 -0.91 0.00 0.00 33.84 31.91 3h2r n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3h2r s ILE 104 N -2.50 2.44 0.14 2.52 -4.36 -1.26 -4.84 121.20 113.34 3h2r s ILE 104 Ca -0.32 0.14 -0.17 0.00 -0.26 0.00 0.00 60.65 60.04 3h2r s ILE 104 Cb 0.10 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 41.16 3h2r s ILE 104 CO 0.60 -0.19 0.43 -0.55 0.24 0.00 0.00 174.94 175.48 3h2r s SER 105 N -3.54 -0.26 -0.07 4.36 0.15 -0.84 -4.59 113.70 108.91 3h2r s SER 105 Ca 0.64 -0.32 0.18 0.00 0.70 0.00 0.00 55.95 57.14 3h2r s SER 105 Cb -0.17 0.50 0.60 0.00 -1.71 0.00 0.00 66.02 65.23 3h2r s SER 105 CO 0.56 -0.89 1.51 0.18 1.20 0.00 0.00 173.24 175.81 3h2r n LEU 106 N -0.25 4.13 -3.91 3.45 4.77 -1.26 -1.56 117.00 122.37 3h2r n LEU 106 Ca -0.15 -2.32 -0.08 0.00 -0.03 0.00 0.00 56.01 53.43 3h2r n LEU 106 Cb 0.64 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3h2r n LEU 106 CO 0.17 0.82 0.37 -0.94 -1.33 0.00 0.00 177.39 176.48 3h2r s SER 107 N -1.05 -0.11 0.30 -1.43 1.04 -1.26 -4.88 113.70 106.31 3h2r s SER 107 Ca 0.44 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3h2r s SER 107 Cb 0.27 0.70 0.00 0.00 0.10 0.00 0.00 66.02 67.09 3h2r s SER 107 CO 0.23 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3h2r n GLY 108 N -0.45 -0.96 0.24 7.32 0.00 -1.26 -4.18 105.19 105.90 3h2r n GLY 108 Ca -0.04 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.93 3h2r n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3h2r h ASP 109 N 0.00 0.00 -3.53 1.61 2.03 -2.00 -3.47 116.42 111.05 3h2r h ASP 109 Ca 0.00 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.60 3h2r h ASP 109 Cb 0.00 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 38.31 3h2r h ASP 109 CO 0.00 0.09 -0.29 -1.00 -1.03 0.00 0.00 179.24 177.02 3h2r s HIS 110 N -3.55 3.19 0.00 4.15 3.76 -1.26 -4.90 115.29 116.69 3h2r s HIS 110 Ca 0.02 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 3h2r s HIS 110 Cb 0.09 -2.78 0.00 0.00 1.11 0.00 0.00 32.58 31.00 3h2r s HIS 110 CO 0.60 -0.65 0.00 0.44 -0.85 0.00 0.00 174.74 174.29 3h2r n ILE 112 N 5.33 0.00 -1.91 0.60 -5.35 -0.60 -1.98 119.36 115.45 3h2r n ILE 112 Ca -0.09 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.98 3h2r n ILE 112 Cb 0.47 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.35 3h2r n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3h2r s ILE 113 N 0.00 2.49 0.00 7.28 1.01 -1.26 -1.79 121.20 128.92 3h2r s ILE 113 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3h2r s ILE 113 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3h2r s ILE 113 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3h2r n GLY 114 N 3.09 0.82 3.76 6.18 0.00 0.54 -5.00 105.19 114.57 3h2r n GLY 114 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3h2r n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h2r n ARG 115 N -2.10 0.63 -4.48 1.61 1.74 -0.74 -2.53 116.66 110.79 3h2r n ARG 115 Ca 0.00 -3.07 -0.34 0.00 -0.77 0.00 0.00 57.85 53.68 3h2r n ARG 115 Cb 0.00 -0.14 -0.12 0.00 -1.02 0.00 0.00 32.46 31.18 3h2r n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h2r s THR 116 N -2.50 3.77 -0.09 0.55 2.01 -1.08 -0.32 115.64 117.97 3h2r s THR 116 Ca 0.54 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.98 3h2r s THR 116 Cb -0.04 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 3h2r s THR 116 CO 0.34 0.51 0.39 -0.22 -0.69 0.00 0.00 174.62 174.96 3h2r s LEU 117 N 0.17 4.33 -0.03 4.42 2.96 -0.44 0.40 118.68 130.48 3h2r s LEU 117 Ca -0.03 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3h2r s LEU 117 Cb -0.14 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.01 3h2r s LEU 117 CO 0.03 0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.39 3h2r s VAL 118 N 0.00 1.05 -0.13 1.68 1.01 0.83 -2.16 120.40 122.68 3h2r s VAL 118 Ca 0.22 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3h2r s VAL 118 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3h2r s VAL 118 CO 0.09 0.32 -0.02 0.54 0.00 0.00 0.00 175.10 176.02 3h2r s VAL 119 N 0.14 4.06 0.24 2.92 0.11 -0.70 -1.22 120.40 125.95 3h2r s VAL 119 Ca -0.04 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 3h2r s VAL 119 Cb -0.10 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 31.97 3h2r s VAL 119 CO 0.01 0.53 0.25 -1.00 -3.33 0.00 0.00 175.10 171.56 3h2r s HIS 120 N -0.10 3.22 0.21 1.54 3.76 0.47 -1.33 115.29 123.07 3h2r s HIS 120 Ca 0.03 -0.08 -0.06 0.00 -0.15 0.00 0.00 55.06 54.81 3h2r s HIS 120 Cb -0.13 -1.46 0.17 0.00 1.11 0.00 0.00 32.58 32.27 3h2r s HIS 120 CO 0.02 0.50 1.65 1.49 -0.85 0.00 0.00 174.74 177.55 3h2r h GLU 121 N 1.44 0.87 -6.13 1.40 4.81 -1.08 -3.34 114.58 112.55 3h2r h GLU 121 Ca -0.50 -0.31 -0.56 0.00 -0.13 0.00 0.00 59.36 57.86 3h2r h GLU 121 Cb 1.23 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 3h2r h GLU 121 CO 0.61 0.95 -0.62 0.15 -0.73 0.00 0.00 179.01 179.37 3h2r s LYS 122 N -4.78 2.22 0.72 1.92 1.02 -1.26 -4.85 119.74 114.73 3h2r s LYS 122 Ca -0.10 -1.55 -0.14 0.00 0.02 0.00 0.00 55.97 54.19 3h2r s LYS 122 Cb 0.13 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.40 3h2r s LYS 122 CO 0.84 0.25 1.15 0.00 -0.92 0.00 0.00 175.35 176.66 3h2r s ALA 123 N -2.41 2.23 -0.28 5.17 0.00 -1.18 -0.90 121.76 124.39 3h2r s ALA 123 Ca 0.34 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.87 3h2r s ALA 123 Cb -0.04 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 3h2r s ALA 123 CO 0.20 -1.68 0.06 0.16 0.00 0.00 0.00 175.76 174.50 3h2r s ASP 124 N -2.47 5.03 0.00 0.00 1.47 -1.26 -4.72 116.67 114.72 3h2r s ASP 124 Ca 0.69 -0.56 0.00 0.00 1.18 0.00 0.00 52.55 53.86 3h2r s ASP 124 Cb -0.23 -1.87 0.00 0.00 -0.34 0.00 0.00 42.92 40.47 3h2r s ASP 124 CO 0.46 -0.14 0.00 0.61 0.68 0.00 0.00 175.17 176.78 3h2r n GLY 141 N 4.87 0.29 3.74 2.12 0.00 -1.26 -5.01 105.19 109.93 3h2r n GLY 141 Ca -0.15 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 3h2r n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h2r s SER 142 N -4.00 4.71 -0.50 1.61 0.15 -1.26 -4.56 113.70 109.85 3h2r s SER 142 Ca 0.00 2.59 -0.23 0.00 0.70 0.00 0.00 55.95 59.01 3h2r s SER 142 Cb 0.00 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 3h2r s SER 142 CO 0.00 -1.93 0.84 -0.13 1.20 0.00 0.00 173.24 173.22 3h2r s ARG 143 N -3.36 3.35 0.04 5.44 0.52 -1.26 -0.57 118.95 123.10 3h2r s ARG 143 Ca 0.82 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 55.69 3h2r s ARG 143 Cb -0.36 -4.00 -0.31 0.00 0.52 0.00 0.00 34.95 30.79 3h2r s ARG 143 CO 0.39 -1.29 1.03 -0.07 0.02 0.00 0.00 175.30 175.38 3h2r h LEU 144 N 10.45 0.59 -7.02 2.53 3.38 -1.53 -3.47 115.31 120.25 3h2r h LEU 144 Ca -0.26 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.01 3h2r h LEU 144 Cb 1.08 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.49 3h2r h LEU 144 CO 1.02 1.53 0.18 0.00 0.09 0.00 0.00 178.44 181.26 3h2r s ALA 145 N -2.63 -1.63 0.26 1.53 0.00 -1.20 -4.08 121.76 114.01 3h2r s ALA 145 Ca -0.07 0.80 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 3h2r s ALA 145 Cb 0.06 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3h2r s ALA 145 CO 0.90 -0.60 0.68 0.00 0.00 0.00 0.00 175.76 176.74 3h2r s GLY 147 N -2.91 -0.53 0.10 0.00 0.00 -0.92 -1.20 107.32 101.86 3h2r s GLY 147 Ca 0.11 0.76 -0.26 0.00 0.00 0.00 0.00 44.72 45.33 3h2r s GLY 147 CO 0.05 0.25 0.79 0.14 0.00 0.00 0.00 173.10 174.33 3h2r s VAL 148 N -3.42 4.57 -0.21 1.40 1.01 -1.26 -1.33 120.40 121.16 3h2r s VAL 148 Ca 0.03 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.44 3h2r s VAL 148 Cb -0.01 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3h2r s VAL 148 CO -0.11 0.42 0.99 -0.63 0.00 0.00 0.00 175.10 175.77 3h2r s ILE 149 N -0.47 4.73 0.30 2.22 1.01 0.56 -4.52 121.20 125.03 3h2r s ILE 149 Ca 0.38 1.93 0.11 0.00 0.00 0.00 0.00 60.65 63.07 3h2r s ILE 149 Cb -0.22 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 3h2r s ILE 149 CO 0.25 -0.13 -0.14 -0.83 0.00 0.00 0.00 174.94 174.10 3h2r s GLY 150 N 1.21 1.93 0.20 6.18 0.00 0.08 -0.34 107.32 116.58 3h2r s GLY 150 Ca 0.43 -1.90 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 3h2r s GLY 150 CO 0.08 -1.94 1.32 -0.42 0.00 0.00 0.00 173.10 172.13 3h2r s ILE 151 N -2.51 3.20 0.28 0.90 1.01 -1.26 -0.73 121.20 122.09 3h2r s ILE 151 Ca 0.31 0.98 0.12 0.00 0.00 0.00 0.00 60.65 62.06 3h2r s ILE 151 Cb -0.03 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 3h2r s ILE 151 CO 0.16 0.14 -0.20 0.00 0.00 0.00 0.00 174.94 175.05 3h2r s ALA 152 N 0.15 2.74 -2.00 9.38 0.00 -0.67 -4.76 121.76 126.61 3h2r s ALA 152 Ca 0.57 -1.87 0.31 0.00 0.00 0.00 0.00 51.96 50.97 3h2r s ALA 152 Cb -0.37 -0.26 1.85 0.00 0.00 0.00 0.00 23.12 24.34 3h2r s ALA 152 CO 0.38 0.28 2.17 0.94 0.00 0.00 0.00 175.76 179.54