#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3g s PHE 2 N 0.00 2.48 -0.40 2.03 0.08 -0.03 -4.58 117.98 117.56 3a3g s PHE 2 Ca 0.00 -0.47 0.23 0.00 0.12 0.00 0.00 56.93 56.81 3a3g s PHE 2 Cb 0.00 -1.44 0.11 0.00 -0.57 0.00 0.00 43.02 41.12 3a3g s PHE 2 CO 0.00 0.53 1.13 0.87 -0.10 0.00 0.00 175.22 177.65 3a3g h LYS 3 N 1.91 0.00 -1.56 0.44 1.57 -1.88 0.25 116.57 117.29 3a3g h LYS 3 Ca -0.42 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.12 3a3g h LYS 3 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3a3g h LYS 3 CO 0.69 0.00 -0.29 0.41 -0.57 0.00 0.00 179.45 179.68 3a3g n GLY 4 N 1.25 0.03 3.24 3.86 0.00 -1.26 -4.61 105.19 107.69 3a3g n GLY 4 Ca 0.01 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 3a3g n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3g s ILE 5 N -2.57 3.19 0.08 -0.61 1.01 -1.26 -1.32 121.20 119.72 3a3g s ILE 5 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 3a3g s ILE 5 Cb 0.00 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 3a3g s ILE 5 CO 0.00 0.16 1.21 -0.69 0.00 0.00 0.00 174.94 175.62 3a3g s VAL 6 N 1.37 3.91 -0.64 2.92 1.01 -1.26 -4.83 120.40 122.89 3a3g s VAL 6 Ca 0.01 1.40 0.22 0.00 0.00 0.00 0.00 61.98 63.62 3a3g s VAL 6 Cb -0.17 -3.90 -0.17 0.00 0.00 0.00 0.00 36.38 32.14 3a3g s VAL 6 CO -0.02 0.13 0.94 0.00 0.00 0.00 0.00 175.10 176.14 3a3g n GLN 7 N 3.72 0.26 0.00 2.72 6.02 -0.01 -4.98 117.38 125.11 3a3g n GLN 7 Ca 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3a3g n GLN 7 Cb 0.46 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3a3g n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a3g n GLY 8 N 1.39 -0.29 3.48 1.08 0.00 -1.20 -5.01 105.19 104.64 3a3g n GLY 8 Ca 0.02 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 3a3g n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3g s ALA 9 N -2.00 2.75 0.21 4.61 0.00 -1.26 -0.95 121.76 125.12 3a3g s ALA 9 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.09 3a3g s ALA 9 Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 3a3g s ALA 9 CO 0.00 0.47 0.23 0.20 0.00 0.00 0.00 175.76 176.66 3a3g s GLY 10 N -0.43 1.49 -0.13 0.00 0.00 -0.39 -4.32 107.32 103.54 3a3g s GLY 10 Ca 0.05 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3a3g s GLY 10 CO 0.02 -1.28 -0.20 -0.42 0.00 0.00 0.00 173.10 171.22 3a3g s ILE 11 N -1.93 2.27 0.01 0.90 -1.09 -0.82 -0.06 121.20 120.48 3a3g s ILE 11 Ca 0.33 -0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 57.53 3a3g s ILE 11 Cb -0.09 -1.91 -0.06 0.00 -1.58 0.00 0.00 42.46 38.82 3a3g s ILE 11 CO 0.26 0.54 1.42 -0.63 -1.23 0.00 0.00 174.94 175.31 3a3g s ILE 12 N 0.67 3.63 -0.25 2.92 1.01 -0.20 -0.31 121.20 128.67 3a3g s ILE 12 Ca -0.10 1.03 0.02 0.00 0.00 0.00 0.00 60.65 61.61 3a3g s ILE 12 Cb -0.16 -3.66 -0.17 0.00 0.01 0.00 0.00 42.46 38.48 3a3g s ILE 12 CO 0.02 0.00 -0.21 1.17 0.00 0.00 0.00 174.94 175.91 3a3g n LYS 13 N 5.32 0.64 -3.91 2.79 4.81 0.14 -0.51 118.16 127.44 3a3g n LYS 13 Ca 0.13 0.14 -0.10 0.00 -0.87 0.00 0.00 58.31 57.62 3a3g n LYS 13 Cb 0.43 -1.51 -0.09 0.00 0.02 0.00 0.00 35.03 33.88 3a3g n LYS 13 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3a3g s LYS 14 N -2.51 0.61 -0.03 1.64 1.02 -0.97 -4.85 119.74 114.65 3a3g s LYS 14 Ca -0.33 -0.72 -0.00 0.00 0.02 0.00 0.00 55.97 54.93 3a3g s LYS 14 Cb 0.09 0.24 0.03 0.00 -0.52 0.00 0.00 37.83 37.67 3a3g s LYS 14 CO 0.59 -0.16 0.04 0.42 -0.92 0.00 0.00 175.35 175.32 3a3g s ILE 15 N -2.59 -0.07 -0.25 2.17 1.01 -1.26 -1.49 121.20 118.72 3a3g s ILE 15 Ca -0.05 0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 3a3g s ILE 15 Cb -0.01 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.33 3a3g s ILE 15 CO -0.04 0.10 0.08 -0.44 0.00 0.00 0.00 174.94 174.64 3a3g s SER 16 N 1.23 5.19 -0.51 3.58 0.01 -0.40 -4.96 113.70 117.84 3a3g s SER 16 Ca -0.07 -0.19 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 3a3g s SER 16 Cb -0.13 -1.94 0.10 0.00 0.21 0.00 0.00 66.02 64.26 3a3g s SER 16 CO -0.03 -0.03 0.46 -0.54 0.41 0.00 0.00 173.24 173.51 3a3g s LYS 17 N 1.62 2.99 -0.27 12.44 1.02 -1.26 -1.46 119.74 134.81 3a3g s LYS 17 Ca 0.06 -1.49 0.10 0.00 0.02 0.00 0.00 55.97 54.66 3a3g s LYS 17 Cb -0.15 -4.21 0.46 0.00 -0.52 0.00 0.00 37.83 33.41 3a3g s LYS 17 CO 0.04 -1.19 1.18 0.09 -0.92 0.00 0.00 175.35 174.56 3a3g n ASN 18 N 5.30 4.09 -3.50 2.83 3.02 -0.83 -5.05 115.26 121.11 3a3g n ASN 18 Ca -0.13 -3.50 -0.40 0.00 -0.03 0.00 0.00 54.58 50.52 3a3g n ASN 18 Cb 0.42 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 3a3g n ASN 18 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3a3g n ASP 19 N -0.71 7.31 -1.11 6.41 5.75 -1.26 -2.78 116.55 130.16 3a3g n ASP 19 Ca 0.36 -2.87 0.12 0.00 -0.01 0.00 0.00 54.79 52.39 3a3g n ASP 19 Cb 0.92 -1.50 0.20 0.00 -1.03 0.00 0.00 41.12 39.71 3a3g n ASP 19 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3a3g n ASP 20 N 3.38 3.35 -3.86 -1.12 5.68 -1.26 -4.96 116.55 117.76 3a3g n ASP 20 Ca 0.64 -1.99 -0.11 0.00 -0.50 0.00 0.00 54.79 52.83 3a3g n ASP 20 Cb 0.28 -0.20 -0.10 0.00 -1.14 0.00 0.00 41.12 39.96 3a3g n ASP 20 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3a3g s THR 21 N -1.60 0.08 0.01 2.12 -1.32 -1.12 -4.64 115.64 109.17 3a3g s THR 21 Ca 0.37 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 3a3g s THR 21 Cb 0.22 -0.45 -0.01 0.00 -1.51 0.00 0.00 72.50 70.76 3a3g s THR 21 CO 0.31 -0.36 -0.02 -1.10 -2.21 0.00 0.00 174.62 171.24 3a3g s GLN 22 N -1.35 0.17 -0.21 7.08 -0.21 -0.31 -1.97 119.66 122.86 3a3g s GLN 22 Ca -0.14 -0.26 -0.07 0.00 0.02 0.00 0.00 55.36 54.90 3a3g s GLN 22 Cb -0.07 -0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.89 3a3g s GLN 22 CO 0.02 -0.00 0.06 0.50 -2.12 0.00 0.00 175.29 173.74 3a3g s ARG 23 N -0.59 3.78 -0.14 2.91 3.52 -0.54 -0.49 118.95 127.41 3a3g s ARG 23 Ca -0.06 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 3a3g s ARG 23 Cb -0.04 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3a3g s ARG 23 CO -0.00 0.04 -0.03 -1.01 -0.81 0.00 0.00 175.30 173.49 3a3g s HIS 24 N 1.01 3.06 -0.22 5.12 3.76 0.28 -1.28 115.29 127.02 3a3g s HIS 24 Ca 0.04 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 3a3g s HIS 24 Cb -0.14 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 3a3g s HIS 24 CO 0.03 0.07 0.06 0.20 -0.85 0.00 0.00 174.74 174.24 3a3g s GLY 25 N 0.14 1.81 -0.14 -2.22 0.00 -0.56 -0.55 107.32 105.80 3a3g s GLY 25 Ca -0.00 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.75 3a3g s GLY 25 CO 0.02 0.33 -0.19 -0.42 0.00 0.00 0.00 173.10 172.84 3a3g s ILE 26 N 1.10 1.86 -0.01 0.90 1.01 0.47 0.24 121.20 126.78 3a3g s ILE 26 Ca 0.04 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 3a3g s ILE 26 Cb -0.14 -1.68 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 3a3g s ILE 26 CO 0.03 0.51 1.59 -0.89 0.00 0.00 0.00 174.94 176.18 3a3g s THR 27 N 1.03 3.49 0.03 2.92 2.01 0.58 -0.96 115.64 124.73 3a3g s THR 27 Ca -0.03 0.76 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 3a3g s THR 27 Cb -0.15 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3a3g s THR 27 CO -0.05 -0.04 0.13 -0.36 -0.69 0.00 0.00 174.62 173.62 3a3g s PHE 28 N 3.30 3.38 0.58 4.92 0.40 -0.33 -1.95 117.98 128.28 3a3g s PHE 28 Ca 0.71 0.22 -0.18 0.00 -0.60 0.00 0.00 56.93 57.09 3a3g s PHE 28 Cb -0.34 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 3a3g s PHE 28 CO 0.29 0.58 1.09 -1.25 0.70 0.00 0.00 175.22 176.63 3a3g s PRO 29 N -2.10 3.27 0.24 0.24 0.04 -1.26 -4.73 135.00 130.70 3a3g s PRO 29 Ca 0.28 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.69 3a3g s PRO 29 Cb -0.12 -2.01 0.45 0.00 0.04 0.00 0.00 34.50 32.85 3a3g s PRO 29 CO 0.20 -0.88 1.73 -0.22 0.04 0.00 0.00 177.00 177.87 3a3g h LYS 30 N 0.77 0.43 -0.37 4.56 1.63 -1.98 0.11 116.57 121.72 3a3g h LYS 30 Ca -0.48 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.21 3a3g h LYS 30 Cb 1.24 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 3a3g h LYS 30 CO 0.57 0.28 -0.13 0.38 -3.45 0.00 0.00 179.45 177.10 3a3g h ASP 31 N 0.44 0.64 0.03 4.20 2.03 -2.00 -1.83 116.42 119.93 3a3g h ASP 31 Ca 0.41 -0.18 -0.12 0.00 -0.73 0.00 0.00 57.03 56.41 3a3g h ASP 31 Cb 0.61 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.95 3a3g h ASP 31 CO -0.40 0.79 -0.47 0.40 -1.03 0.00 0.00 179.24 178.54 3a3g h ILE 32 N 0.59 1.52 -0.74 4.15 2.04 -1.82 -3.32 117.51 119.93 3a3g h ILE 32 Ca 0.10 -2.16 0.16 0.00 1.00 0.00 0.00 64.86 63.97 3a3g h ILE 32 Cb 0.56 2.86 -0.11 0.00 -0.74 0.00 0.00 36.82 39.40 3a3g h ILE 32 CO 0.04 0.60 0.18 0.25 0.00 0.00 0.00 178.15 179.22 3a3g h LEU 33 N -0.39 0.01 -0.35 1.44 5.85 -0.60 -1.67 115.31 119.61 3a3g h LEU 33 Ca -0.07 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3a3g h LEU 33 Cb 1.25 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.48 3a3g h LEU 33 CO 0.09 -0.04 0.00 -0.62 -0.34 0.00 0.00 178.44 177.53 3a3g n GLU 34 N -5.16 0.21 0.00 1.25 -0.58 -0.71 -2.88 120.64 112.76 3a3g n GLU 34 Ca 0.14 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.31 3a3g n GLU 34 Cb 0.47 -1.81 0.24 0.00 -0.57 0.00 0.00 31.44 29.77 3a3g n GLU 34 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a3g n SER 35 N -2.18 0.97 -4.69 1.62 3.41 -0.64 -4.96 113.62 107.15 3a3g n SER 35 Ca 0.04 -0.77 -0.23 0.00 -0.26 0.00 0.00 58.87 57.65 3a3g n SER 35 Cb 0.32 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 3a3g n SER 35 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3a3g s VAL 36 N -2.71 3.76 0.26 -3.33 -7.23 -1.14 -5.10 120.40 104.90 3a3g s VAL 36 Ca 0.18 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 3a3g s VAL 36 Cb 0.18 -3.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 3a3g s VAL 36 CO 0.62 -0.33 0.46 -1.83 -0.31 0.00 0.00 175.10 173.71 3a3g s GLU 37 N -3.60 1.58 0.13 4.82 -1.05 -1.26 -5.00 118.70 114.31 3a3g s GLU 37 Ca 0.31 -1.33 -0.35 0.00 -0.15 0.00 0.00 54.97 53.45 3a3g s GLU 37 Cb -0.07 0.46 -0.16 0.00 -0.44 0.00 0.00 34.13 33.92 3a3g s GLU 37 CO 0.21 -0.65 1.28 1.63 0.95 0.00 0.00 175.26 178.68 3a3g n LYS 38 N -0.40 1.22 0.00 -4.83 5.02 -1.26 -1.08 118.16 116.83 3a3g n LYS 38 Ca -0.01 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3a3g n LYS 38 Cb 0.62 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3a3g n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a3g n GLY 39 N 2.34 1.60 3.70 0.72 0.00 -0.06 -4.98 105.19 108.51 3a3g n GLY 39 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3a3g n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a3g n THR 40 N -2.00 0.33 -3.72 2.61 -1.04 -0.24 -4.70 114.28 105.53 3a3g n THR 40 Ca 0.00 -0.08 -0.37 0.00 -2.04 0.00 0.00 64.05 61.55 3a3g n THR 40 Cb 0.00 -1.79 -0.12 0.00 -1.82 0.00 0.00 70.33 66.59 3a3g n THR 40 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3a3g s VAL 41 N 0.70 4.40 0.31 12.58 1.01 -1.26 -0.97 120.40 137.17 3a3g s VAL 41 Ca 0.73 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3a3g s VAL 41 Cb -0.57 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3a3g s VAL 41 CO 0.39 0.23 0.33 0.00 0.00 0.00 0.00 175.10 176.05 3a3g s MET 42 N 1.61 1.71 -0.19 2.72 0.23 -0.82 -4.62 119.30 119.94 3a3g s MET 42 Ca 0.05 -1.83 -0.09 0.00 -1.03 0.00 0.00 55.69 52.79 3a3g s MET 42 Cb -0.16 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.46 3a3g s MET 42 CO 0.05 -0.66 0.11 -0.51 -2.03 0.00 0.00 175.02 171.98 3a3g s LEU 43 N -3.27 4.08 -0.16 0.18 1.43 -0.10 -1.59 118.68 119.24 3a3g s LEU 43 Ca 0.36 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 3a3g s LEU 43 Cb 0.02 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3a3g s LEU 43 CO 0.22 0.19 -0.18 -0.69 0.23 0.00 0.00 176.35 176.11 3a3g s VAL 44 N 0.32 1.84 -1.73 -1.59 1.01 -0.15 -1.61 120.40 118.49 3a3g s VAL 44 Ca 0.07 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.05 3a3g s VAL 44 Cb -0.11 -1.68 0.17 0.00 0.00 0.00 0.00 36.38 34.75 3a3g s VAL 44 CO -0.01 0.50 0.72 0.59 0.00 0.00 0.00 175.10 176.90 3a3g n ASN 45 N 4.58 -2.78 0.00 3.32 3.02 0.96 -1.08 115.26 123.28 3a3g n ASN 45 Ca -0.19 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3a3g n ASN 45 Cb 0.50 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 3a3g n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3g n GLY 46 N -1.37 1.58 3.62 7.41 0.00 -1.21 -3.62 105.19 111.59 3a3g n GLY 46 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3a3g n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3g s SER 48 N 0.78 6.66 0.04 0.00 0.15 -0.64 -0.98 113.70 119.71 3a3g s SER 48 Ca 0.05 2.27 -0.02 0.00 0.70 0.00 0.00 55.95 58.95 3a3g s SER 48 Cb -0.13 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3a3g s SER 48 CO 0.02 -0.91 -0.00 -0.76 1.20 0.00 0.00 173.24 172.79 3a3g s LEU 49 N 3.82 2.25 -0.19 3.45 1.43 -0.62 -4.98 118.68 123.84 3a3g s LEU 49 Ca 0.73 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 3a3g s LEU 49 Cb -0.34 0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 3a3g s LEU 49 CO 0.30 -0.49 0.04 -0.89 0.23 0.00 0.00 176.35 175.54 3a3g s THR 50 N -2.86 4.42 0.10 5.49 2.01 -1.26 -1.95 115.64 121.59 3a3g s THR 50 Ca -0.03 -0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.51 3a3g s THR 50 Cb 0.00 -3.00 -0.10 0.00 0.01 0.00 0.00 72.50 69.41 3a3g s THR 50 CO -0.06 0.43 1.87 -0.69 -0.69 0.00 0.00 174.62 175.48 3a3g s VAL 51 N 0.73 2.67 -0.12 3.82 1.01 -0.14 -4.35 120.40 124.02 3a3g s VAL 51 Ca 0.02 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.15 3a3g s VAL 51 Cb -0.14 -3.02 -0.24 0.00 0.00 0.00 0.00 36.38 32.98 3a3g s VAL 51 CO 0.02 -0.00 0.36 0.52 0.00 0.00 0.00 175.10 176.00 3a3g n VAL 52 N 4.98 1.55 -3.58 2.92 0.31 -0.08 -0.88 118.33 123.54 3a3g n VAL 52 Ca 0.18 -0.78 -0.13 0.00 -0.01 0.00 0.00 64.34 63.60 3a3g n VAL 52 Cb 0.39 -0.96 -0.06 0.00 -0.91 0.00 0.00 33.84 32.29 3a3g n VAL 52 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3a3g s ARG 53 N -2.55 0.74 -0.05 5.55 3.52 -1.24 -4.87 118.95 120.05 3a3g s ARG 53 Ca -0.11 0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 3a3g s ARG 53 Cb 0.07 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.84 3a3g s ARG 53 CO 0.80 -0.19 -0.05 0.42 -0.81 0.00 0.00 175.30 175.47 3a3g s ILE 54 N -0.70 0.62 -0.20 4.11 1.01 -1.26 -0.73 121.20 124.05 3a3g s ILE 54 Ca -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 3a3g s ILE 54 Cb -0.02 -0.64 0.06 0.00 0.01 0.00 0.00 42.46 41.88 3a3g s ILE 54 CO 0.02 0.25 0.01 -0.55 0.00 0.00 0.00 174.94 174.67 3a3g s SER 55 N 0.98 3.14 1.73 3.58 0.15 -0.47 -4.99 113.70 117.83 3a3g s SER 55 Ca -0.10 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.65 3a3g s SER 55 Cb -0.14 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 3a3g s SER 55 CO -0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 3a3g n GLY 56 N 4.94 3.83 1.07 9.45 0.00 -1.26 -1.27 105.19 121.95 3a3g n GLY 56 Ca -0.10 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3a3g n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a3g n ASP 57 N 8.37 3.11 -4.53 1.61 5.68 -1.26 -4.90 116.55 124.62 3a3g n ASP 57 Ca 0.00 -1.99 -0.39 0.00 -0.50 0.00 0.00 54.79 51.91 3a3g n ASP 57 Cb 0.00 -0.37 -0.11 0.00 -1.14 0.00 0.00 41.12 39.50 3a3g n ASP 57 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3a3g s VAL 58 N -1.26 5.12 -0.17 2.12 1.01 -0.39 -1.19 120.40 125.64 3a3g s VAL 58 Ca 0.39 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 3a3g s VAL 58 Cb 0.20 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3a3g s VAL 58 CO 0.27 0.13 -0.02 -0.69 0.00 0.00 0.00 175.10 174.80 3a3g s VAL 59 N 1.71 4.01 -0.05 2.92 1.01 -0.14 -1.36 120.40 128.50 3a3g s VAL 59 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 3a3g s VAL 59 Cb -0.17 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3a3g s VAL 59 CO 0.10 0.47 0.00 -0.31 0.00 0.00 0.00 175.10 175.36 3a3g s TYR 60 N 0.51 3.12 0.03 5.22 2.02 0.10 -0.40 117.35 127.96 3a3g s TYR 60 Ca -0.02 0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 3a3g s TYR 60 Cb -0.14 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 3a3g s TYR 60 CO 0.02 0.46 -0.10 -0.06 -1.57 0.00 0.00 175.55 174.31 3a3g s PHE 61 N -0.96 0.88 -0.25 2.71 0.08 0.29 -0.91 117.98 119.82 3a3g s PHE 61 Ca 0.16 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.77 3a3g s PHE 61 Cb -0.11 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 3a3g s PHE 61 CO 0.05 -0.01 0.25 -0.51 -0.10 0.00 0.00 175.22 174.90 3a3g s ASP 62 N -0.95 6.18 -0.36 1.36 1.01 -1.26 -0.55 116.67 122.08 3a3g s ASP 62 Ca -0.01 0.19 -0.13 0.00 0.71 0.00 0.00 52.55 53.31 3a3g s ASP 62 Cb -0.07 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3a3g s ASP 62 CO 0.01 -0.03 0.24 -0.63 0.21 0.00 0.00 175.17 174.97 3a3g s ILE 63 N 1.46 5.09 0.00 0.77 1.09 0.36 -4.83 121.20 125.14 3a3g s ILE 63 Ca 0.11 -0.47 0.00 0.00 -1.10 0.00 0.00 60.65 59.19 3a3g s ILE 63 Cb -0.15 -3.71 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 3a3g s ILE 63 CO 0.08 -0.13 0.00 -0.90 -0.10 0.00 0.00 174.94 173.89 3a3g n ASP 64 N 5.09 0.00 -0.33 3.58 5.68 -1.26 -1.16 116.55 128.15 3a3g n ASP 64 Ca -0.12 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.33 3a3g n ASP 64 Cb 0.48 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.85 3a3g n ASP 64 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3a3g h GLN 65 N 0.00 0.61 -0.00 0.11 4.15 -1.88 -1.40 115.11 116.70 3a3g h GLN 65 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3a3g h GLN 65 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.55 3a3g h GLN 65 CO 0.00 0.41 -0.12 0.00 -1.93 0.00 0.00 178.83 177.19 3a3g n ALA 66 N -2.37 2.72 0.28 3.38 0.00 -1.26 -4.50 120.51 118.76 3a3g n ALA 66 Ca 0.24 -0.22 0.14 0.00 0.00 0.00 0.00 53.44 53.60 3a3g n ALA 66 Cb 0.67 -1.36 0.85 0.00 0.00 0.00 0.00 19.45 19.60 3a3g n ALA 66 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a3g h ILE 67 N 0.28 0.51 -0.01 0.00 6.09 -1.52 -2.66 117.51 120.19 3a3g h ILE 67 Ca 0.00 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 3a3g h ILE 67 Cb 0.39 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.85 3a3g h ILE 67 CO 0.00 0.05 -0.44 0.59 -3.07 0.00 0.00 178.15 175.29 3a3g n ASN 68 N -3.70 1.39 -0.12 2.19 5.03 -1.26 -4.36 115.26 114.43 3a3g n ASN 68 Ca -0.02 -1.10 0.02 0.00 0.87 0.00 0.00 54.58 54.34 3a3g n ASN 68 Cb 0.16 0.37 0.03 0.00 -1.02 0.00 0.00 39.78 39.31 3a3g n ASN 68 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3a3g n THR 69 N -0.55 0.64 -4.21 3.41 -2.24 -1.01 -4.96 114.28 105.36 3a3g n THR 69 Ca 0.10 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 61.04 3a3g n THR 69 Cb 0.39 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 3a3g n THR 69 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a3g s THR 70 N -0.82 0.00 -1.50 4.28 -4.23 -1.19 -3.73 115.64 108.45 3a3g s THR 70 Ca 0.06 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.85 3a3g s THR 70 Cb 0.05 -2.50 0.34 0.00 1.34 0.00 0.00 72.50 71.73 3a3g s THR 70 CO 0.01 0.00 1.76 0.35 -0.54 0.00 0.00 174.62 176.20 3a3g n THR 71 N -0.32 0.00 -0.31 3.99 -2.24 -1.26 -4.44 114.28 109.71 3a3g n THR 71 Ca 0.03 -0.06 0.06 0.00 -2.27 0.00 0.00 64.05 61.81 3a3g n THR 71 Cb 0.66 -0.01 0.21 0.00 -2.10 0.00 0.00 70.33 69.08 3a3g n THR 71 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3a3g h PHE 72 N 0.53 0.88 -0.55 4.78 0.04 -1.92 -1.64 116.94 119.06 3a3g h PHE 72 Ca 0.00 0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.96 3a3g h PHE 72 Cb 0.42 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3a3g h PHE 72 CO 0.00 0.30 0.42 -0.09 -0.60 0.00 0.00 178.31 178.33 3a3g h ARG 73 N 0.76 0.00 -0.26 1.51 2.43 -1.82 -1.49 114.38 115.51 3a3g h ARG 73 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3a3g h ARG 73 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3a3g h ARG 73 CO -0.30 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.55 3a3g n GLU 74 N -4.26 2.06 -1.56 0.20 1.02 -0.63 -5.00 120.64 112.47 3a3g n GLU 74 Ca 0.10 -1.93 -0.31 0.00 -0.02 0.00 0.00 57.16 55.00 3a3g n GLU 74 Cb 0.64 -1.38 0.05 0.00 -0.02 0.00 0.00 31.44 30.73 3a3g n GLU 74 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a3g s LEU 75 N -1.29 3.17 0.11 -4.62 1.43 -0.56 -5.06 118.68 111.86 3a3g s LEU 75 Ca 0.28 1.71 0.07 0.00 -1.03 0.00 0.00 54.13 55.16 3a3g s LEU 75 Cb 0.17 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 3a3g s LEU 75 CO 0.24 -1.56 -0.17 -1.61 0.23 0.00 0.00 176.35 173.48 3a3g s GLU 76 N -4.84 1.06 0.27 1.70 0.41 -1.26 -5.08 118.70 110.96 3a3g s GLU 76 Ca 0.60 -1.19 -0.29 0.00 -0.41 0.00 0.00 54.97 53.68 3a3g s GLU 76 Cb -0.15 -1.12 -0.14 0.00 -1.78 0.00 0.00 34.13 30.93 3a3g s GLU 76 CO 0.52 0.24 1.10 0.28 -0.49 0.00 0.00 175.26 176.91 3a3g n VAL 77 N 0.82 1.75 0.00 2.63 0.31 -1.26 -1.46 118.33 121.12 3a3g n VAL 77 Ca -0.17 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3a3g n VAL 77 Cb 0.55 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 3a3g n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a3g n GLY 78 N 1.36 2.43 3.78 2.92 0.00 0.33 -4.97 105.19 111.05 3a3g n GLY 78 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3a3g n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3g s ASN 79 N -1.82 5.84 -0.20 1.61 0.01 -0.53 -4.64 114.94 115.20 3a3g s ASN 79 Ca 0.00 2.04 -0.11 0.00 -0.71 0.00 0.00 52.86 54.08 3a3g s ASN 79 Cb 0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 3a3g s ASN 79 CO 0.00 -1.13 0.17 -0.75 -1.51 0.00 0.00 177.10 173.88 3a3g s LYS 80 N -3.46 4.19 0.15 -0.60 2.20 -1.26 -1.03 119.74 119.92 3a3g s LYS 80 Ca 0.69 -0.16 0.09 0.00 -0.36 0.00 0.00 55.97 56.24 3a3g s LYS 80 Cb -0.20 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 3a3g s LYS 80 CO 0.28 0.25 -0.17 0.14 -0.36 0.00 0.00 175.35 175.48 3a3g s VAL 81 N 0.50 2.84 0.13 4.02 -7.23 0.92 -4.84 120.40 116.73 3a3g s VAL 81 Ca 0.10 -1.63 -0.23 0.00 -1.81 0.00 0.00 61.98 58.40 3a3g s VAL 81 Cb -0.12 -2.34 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 3a3g s VAL 81 CO 0.00 0.01 0.71 0.20 -0.31 0.00 0.00 175.10 175.72 3a3g s ASN 82 N -2.40 7.28 -0.04 4.85 0.01 -1.26 -1.26 114.94 122.11 3a3g s ASN 82 Ca 0.20 1.51 0.07 0.00 -0.71 0.00 0.00 52.86 53.93 3a3g s ASN 82 Cb -0.10 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 3a3g s ASN 82 CO 0.11 0.21 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.91 3a3g s LEU 83 N -1.05 2.12 -0.13 0.60 1.43 -0.12 -0.03 118.68 121.50 3a3g s LEU 83 Ca 0.34 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3a3g s LEU 83 Cb -0.22 -1.38 0.06 0.00 0.03 0.00 0.00 46.19 44.68 3a3g s LEU 83 CO 0.24 0.28 0.28 -0.70 0.23 0.00 0.00 176.35 176.68 3a3g s GLU 84 N -0.36 0.20 0.06 1.70 2.12 -0.63 -0.83 118.70 120.96 3a3g s GLU 84 Ca 0.02 0.71 -0.10 0.00 0.36 0.00 0.00 54.97 55.97 3a3g s GLU 84 Cb -0.12 -0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.18 3a3g s GLU 84 CO 0.02 -0.23 0.38 0.08 -0.54 0.00 0.00 175.26 174.97 3a3g s VAL 85 N 1.96 5.12 0.65 3.70 1.01 -1.26 -0.92 120.40 130.66 3a3g s VAL 85 Ca -0.04 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 3a3g s VAL 85 Cb -0.11 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3a3g s VAL 85 CO -0.09 0.32 1.24 0.00 0.00 0.00 0.00 175.10 176.57 3a3g s ARG 86 N -1.84 2.58 0.26 2.72 1.70 -1.26 -4.89 118.95 118.22 3a3g s ARG 86 Ca 0.32 1.91 -0.30 0.00 -0.47 0.00 0.00 55.73 57.18 3a3g s ARG 86 Cb -0.14 -1.87 -0.13 0.00 -0.57 0.00 0.00 34.95 32.24 3a3g s ARG 86 CO 0.17 -1.53 1.35 -2.30 -1.08 0.00 0.00 175.30 171.92 3a3g n PRO 87 N -2.01 1.99 0.01 3.89 -0.02 -1.26 -4.92 135.00 132.68 3a3g n PRO 87 Ca 0.14 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3a3g n PRO 87 Cb 0.49 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 3a3g n PRO 87 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3a3g h GLU 88 N 3.70 -0.03 -0.89 -0.52 4.39 -2.01 -3.35 114.58 115.87 3a3g h GLU 88 Ca -0.45 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.75 3a3g h GLU 88 Cb 1.28 0.01 -0.42 0.00 -0.10 0.00 0.00 28.75 29.52 3a3g h GLU 88 CO 0.72 0.33 -0.86 1.19 -1.16 0.00 0.00 179.01 179.22 3a3g n PHE 89 N -4.93 2.62 0.00 4.33 3.72 -1.26 -5.08 117.46 116.85 3a3g n PHE 89 Ca -0.08 -2.44 0.00 0.00 -0.05 0.00 0.00 57.45 54.88 3a3g n PHE 89 Cb 0.20 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 3a3g n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a3g n GLY 90 N -0.61 0.14 3.28 1.37 0.00 -1.26 -5.09 105.19 103.02 3a3g n GLY 90 Ca 0.36 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 3a3g n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a3g s SER 91 N -1.82 -0.15 -0.30 1.61 1.04 -1.26 -4.90 113.70 107.92 3a3g s SER 91 Ca 0.00 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.81 3a3g s SER 91 Cb 0.00 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.55 3a3g s SER 91 CO 0.00 -0.77 1.02 -0.76 0.98 0.00 0.00 173.24 173.72 3a3g s LEU 92 N -2.61 3.98 -1.00 2.42 1.43 -1.26 -4.97 118.68 116.68 3a3g s LEU 92 Ca 0.01 1.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.91 3a3g s LEU 92 Cb 0.02 -3.47 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 3a3g s LEU 92 CO -0.09 -0.81 2.02 -1.48 0.23 0.00 0.00 176.35 176.22 3a3g s LEU 93 N 3.47 3.01 1.28 1.79 2.34 -1.26 -4.98 118.68 124.33 3a3g s LEU 93 Ca 0.43 -0.93 -0.18 0.00 0.06 0.00 0.00 54.13 53.51 3a3g s LEU 93 Cb -0.13 -2.57 0.31 0.00 -0.56 0.00 0.00 46.19 43.23 3a3g s LEU 93 CO 0.13 -3.19 0.81 0.61 -1.06 0.00 0.00 176.35 173.66 3a3g n GLY 94 N 6.45 -2.83 5.33 -3.48 0.00 -1.26 -4.95 105.19 104.45 3a3g n GLY 94 Ca 0.43 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3a3g n GLY 94 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a3g n LYS 95 N -4.82 0.00 -1.39 1.61 0.00 -1.26 -2.89 118.16 109.41 3a3g n LYS 95 Ca 0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.10 3a3g n LYS 95 Cb 0.56 0.00 0.10 0.00 -0.00 0.00 0.00 35.03 35.69 3a3g n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3a3g n GLY 96 N 0.00 5.63 3.77 2.58 0.00 -1.26 -4.72 105.19 111.19 3a3g n GLY 96 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3a3g n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3g s ALA 97 N -3.62 3.56 -0.01 4.61 0.00 -1.14 -4.50 121.76 120.66 3a3g s ALA 97 Ca 0.58 1.41 -0.00 0.00 0.00 0.00 0.00 51.96 53.95 3a3g s ALA 97 Cb 0.47 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3a3g s ALA 97 CO 0.02 -0.84 0.05 -0.51 0.00 0.00 0.00 175.76 174.48 3a3g s LEU 98 N -1.59 3.77 0.07 0.00 1.43 0.07 -4.93 118.68 117.50 3a3g s LEU 98 Ca 0.53 0.11 0.21 0.00 -1.03 0.00 0.00 54.13 53.95 3a3g s LEU 98 Cb -0.43 -2.15 -0.16 0.00 0.03 0.00 0.00 46.19 43.48 3a3g s LEU 98 CO 0.55 0.29 0.74 0.35 0.23 0.00 0.00 176.35 178.50 3a3g n THR 99 N 1.34 0.57 -0.75 5.49 -2.24 -1.26 -0.85 114.28 116.58 3a3g n THR 99 Ca -0.14 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3a3g n THR 99 Cb 0.53 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3a3g n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3g n GLY 100 N 1.29 0.67 3.47 3.38 0.00 -1.26 -4.77 105.19 107.97 3a3g n GLY 100 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3a3g n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a3g s ASN 101 N -2.20 6.20 -0.12 1.61 2.47 -1.26 -1.62 114.94 120.02 3a3g s ASN 101 Ca 0.00 -0.86 -0.29 0.00 0.42 0.00 0.00 52.86 52.12 3a3g s ASN 101 Cb 0.00 -2.42 -0.01 0.00 -1.45 0.00 0.00 41.25 37.37 3a3g s ASN 101 CO 0.00 -1.39 1.04 -0.63 -3.72 0.00 0.00 177.10 172.39 3a3g s ILE 102 N 4.03 4.71 0.13 -5.21 -1.09 -1.26 -4.73 121.20 117.77 3a3g s ILE 102 Ca 0.24 1.99 0.02 0.00 -2.23 0.00 0.00 60.65 60.66 3a3g s ILE 102 Cb -0.16 -4.28 -0.20 0.00 -1.58 0.00 0.00 42.46 36.24 3a3g s ILE 102 CO 0.12 -0.03 1.29 0.11 -1.23 0.00 0.00 174.94 175.20 3a3g h LYS 103 N 7.20 0.16 0.00 2.79 1.79 -1.12 -3.48 116.57 123.92 3a3g h LYS 103 Ca -0.29 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 3a3g h LYS 103 Cb 1.13 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3a3g h LYS 103 CO 0.88 1.04 0.00 0.41 -1.08 0.00 0.00 179.45 180.70 3a3g n GLY 104 N 1.18 -2.17 3.78 3.86 0.00 -1.19 -5.02 105.19 105.63 3a3g n GLY 104 Ca -0.04 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 3a3g n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3g s VAL 105 N -2.08 4.99 0.44 1.61 1.01 -1.24 -0.80 120.40 124.33 3a3g s VAL 105 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.04 3a3g s VAL 105 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3a3g s VAL 105 CO 0.00 0.47 0.10 0.00 0.00 0.00 0.00 175.10 175.67 3a3g s ALA 106 N -0.39 3.26 -0.03 5.51 0.00 -0.79 -4.66 121.76 124.66 3a3g s ALA 106 Ca 0.27 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3a3g s ALA 106 Cb -0.17 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.54 3a3g s ALA 106 CO 0.14 -0.26 -0.09 0.99 0.00 0.00 0.00 175.76 176.54 3a3g s THR 107 N -3.12 0.77 -0.08 0.00 2.01 -1.09 -0.64 115.64 113.49 3a3g s THR 107 Ca 0.18 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 3a3g s THR 107 Cb 0.02 -0.70 -0.06 0.00 0.01 0.00 0.00 72.50 71.77 3a3g s THR 107 CO 0.12 0.25 1.90 -0.69 -0.69 0.00 0.00 174.62 175.51 3a3g s VAL 108 N 0.30 3.24 0.04 3.82 1.01 0.54 -0.15 120.40 129.20 3a3g s VAL 108 Ca -0.05 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 3a3g s VAL 108 Cb -0.10 -3.22 -0.26 0.00 0.00 0.00 0.00 36.38 32.81 3a3g s VAL 108 CO 0.01 -0.07 1.11 -0.78 0.00 0.00 0.00 175.10 175.37 3a3g h ASP 109 N 11.39 0.77 -3.97 3.32 3.58 -0.34 0.13 116.42 131.29 3a3g h ASP 109 Ca -0.43 -0.79 0.03 0.00 0.42 0.00 0.00 57.03 56.26 3a3g h ASP 109 Cb 1.21 -0.24 -0.23 0.00 1.72 0.00 0.00 39.33 41.79 3a3g h ASP 109 CO 0.96 1.47 0.39 0.21 -2.88 0.00 0.00 179.24 179.39 3a3g s ASN 110 N -7.17 -0.50 -0.05 2.28 3.04 -1.07 -4.77 114.94 106.71 3a3g s ASN 110 Ca -0.11 0.75 0.02 0.00 0.04 0.00 0.00 52.86 53.56 3a3g s ASN 110 Cb 0.05 0.69 0.02 0.00 -1.54 0.00 0.00 41.25 40.47 3a3g s ASN 110 CO 0.89 -0.32 -0.08 -0.63 -3.04 0.00 0.00 177.10 173.92 3a3g s ILE 111 N -0.50 0.81 -0.03 -5.21 -1.09 -1.26 -0.98 121.20 112.95 3a3g s ILE 111 Ca -0.02 -0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 3a3g s ILE 111 Cb -0.02 -0.78 0.01 0.00 -1.58 0.00 0.00 42.46 40.09 3a3g s ILE 111 CO 0.01 0.28 -0.06 0.42 -1.23 0.00 0.00 174.94 174.36 3a3g s THR 112 N 0.77 0.58 -0.27 2.92 -4.23 -0.40 -5.01 115.64 110.00 3a3g s THR 112 Ca -0.13 -0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 3a3g s THR 112 Cb -0.15 -0.56 -0.02 0.00 1.34 0.00 0.00 72.50 73.12 3a3g s THR 112 CO 0.02 0.21 0.09 -1.61 -0.54 0.00 0.00 174.62 172.79 3a3g s GLU 113 N 0.47 3.51 -0.29 3.99 2.02 -1.26 -0.68 118.70 126.46 3a3g s GLU 113 Ca -0.06 -0.58 -0.21 0.00 0.02 0.00 0.00 54.97 54.14 3a3g s GLU 113 Cb -0.10 -3.38 0.14 0.00 0.10 0.00 0.00 34.13 30.89 3a3g s GLU 113 CO 0.00 -0.27 1.06 -1.83 0.02 0.00 0.00 175.26 174.24 3a3g s GLU 114 N 1.60 0.38 -0.47 1.61 -1.05 -0.90 -5.01 118.70 114.86 3a3g s GLU 114 Ca 0.05 0.55 -0.02 0.00 -0.15 0.00 0.00 54.97 55.41 3a3g s GLU 114 Cb -0.16 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 3a3g s GLU 114 CO 0.04 -0.06 0.22 0.39 0.95 0.00 0.00 175.26 176.80 3a3g n GLU 115 N 2.86 -1.70 -1.09 -4.83 -0.58 -1.26 -2.58 120.64 111.47 3a3g n GLU 115 Ca -0.15 0.28 -0.03 0.00 -0.42 0.00 0.00 57.16 56.83 3a3g n GLU 115 Cb 0.57 -3.79 -0.01 0.00 -0.57 0.00 0.00 31.44 27.64 3a3g n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3a3g n ASP 116 N 0.37 -3.75 -4.27 1.62 8.00 -1.26 -5.03 116.55 112.23 3a3g n ASP 116 Ca -0.03 0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.31 3a3g n ASP 116 Cb 0.53 -1.52 -0.13 0.00 -0.02 0.00 0.00 41.12 39.99 3a3g n ASP 116 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a3g s ARG 117 N -1.57 1.15 -0.39 -1.24 1.81 -1.06 -1.31 118.95 116.34 3a3g s ARG 117 Ca 0.00 -1.10 -0.07 0.00 -1.72 0.00 0.00 55.73 52.84 3a3g s ARG 117 Cb 0.00 -1.37 0.07 0.00 -0.45 0.00 0.00 34.95 33.21 3a3g s ARG 117 CO 0.00 0.32 0.19 -1.17 -0.68 0.00 0.00 175.30 173.96 3a3g s LEU 118 N -1.74 4.86 -0.31 2.53 2.96 0.12 -2.11 118.68 124.98 3a3g s LEU 118 Ca 0.06 -1.47 -0.18 0.00 -0.22 0.00 0.00 54.13 52.31 3a3g s LEU 118 Cb -0.10 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3a3g s LEU 118 CO 0.04 -0.46 0.54 -0.54 -1.32 0.00 0.00 176.35 174.60 3a3g s LYS 119 N 1.36 3.85 -0.14 1.98 1.02 0.14 -0.64 119.74 127.32 3a3g s LYS 119 Ca 0.02 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.15 3a3g s LYS 119 Cb -0.22 -3.73 0.02 0.00 -0.52 0.00 0.00 37.83 33.38 3a3g s LYS 119 CO 0.01 -0.52 -0.18 0.08 -0.92 0.00 0.00 175.35 173.83 3a3g s VAL 120 N 2.42 1.76 -0.27 3.17 1.01 0.50 -1.28 120.40 127.71 3a3g s VAL 120 Ca 0.21 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3a3g s VAL 120 Cb -0.15 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.66 3a3g s VAL 120 CO 0.12 0.49 -0.01 -0.31 0.00 0.00 0.00 175.10 175.39 3a3g s TYR 121 N 1.07 3.12 -0.16 5.22 2.02 -0.15 -0.23 117.35 128.25 3a3g s TYR 121 Ca -0.03 -1.44 -0.02 0.00 -0.37 0.00 0.00 57.07 55.21 3a3g s TYR 121 Cb -0.14 -2.12 -0.02 0.00 -0.40 0.00 0.00 41.96 39.27 3a3g s TYR 121 CO -0.05 -0.70 -0.07 0.42 -1.57 0.00 0.00 175.55 173.58 3a3g s ILE 122 N 1.36 3.42 -0.27 2.71 1.01 0.94 0.44 121.20 130.81 3a3g s ILE 122 Ca -0.00 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 3a3g s ILE 122 Cb -0.17 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3a3g s ILE 122 CO -0.02 0.49 0.53 -0.75 0.00 0.00 0.00 174.94 175.19 3a3g s LYS 123 N 0.67 4.02 -0.27 2.79 2.20 0.78 -0.20 119.74 129.73 3a3g s LYS 123 Ca -0.04 0.30 -0.21 0.00 -0.36 0.00 0.00 55.97 55.66 3a3g s LYS 123 Cb -0.15 -3.67 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 3a3g s LYS 123 CO 0.02 -0.40 0.66 0.42 -0.36 0.00 0.00 175.35 175.69 3a3g s ILE 124 N 2.35 4.94 0.74 5.43 -1.09 0.08 -2.68 121.20 130.98 3a3g s ILE 124 Ca 0.22 1.08 -0.11 0.00 -2.23 0.00 0.00 60.65 59.61 3a3g s ILE 124 Cb -0.16 -3.98 0.04 0.00 -1.58 0.00 0.00 42.46 36.78 3a3g s ILE 124 CO 0.10 -0.05 1.08 -2.16 -1.23 0.00 0.00 174.94 172.67 3a3g s PRO 125 N 2.60 2.52 0.19 2.79 0.04 -1.26 -4.91 135.00 136.97 3a3g s PRO 125 Ca 0.27 1.07 -0.22 0.00 0.04 0.00 0.00 61.00 62.15 3a3g s PRO 125 Cb -0.15 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.56 3a3g s PRO 125 CO 0.10 -1.43 1.57 0.87 0.04 0.00 0.00 177.00 178.15 3a3g h LYS 126 N -0.96 -0.15 -3.79 4.56 1.57 -1.99 -2.56 116.57 113.24 3a3g h LYS 126 Ca -0.44 0.01 -0.79 0.00 -1.87 0.00 0.00 60.65 57.57 3a3g h LYS 126 Cb 1.22 0.03 -0.26 0.00 0.08 0.00 0.00 32.23 33.31 3a3g h LYS 126 CO 0.54 -0.10 0.70 -3.47 -0.57 0.00 0.00 179.45 176.55 3a3g n ASP 127 N -5.42 5.50 0.00 0.86 -0.08 -1.26 -5.27 116.55 110.88 3a3g n ASP 127 Ca 0.04 -3.05 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 3a3g n ASP 127 Cb 0.36 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.40 3a3g n ASP 127 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3a3g n LEU 128 N 3.28 0.00 0.00 -2.67 0.00 -0.97 -5.05 117.00 111.59 3a3g n LEU 128 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.28 3a3g n LEU 128 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.81 3a3g n LEU 128 CO 0.52 0.00 0.00 0.18 0.00 0.00 0.00 177.39 178.09 3a3g n LEU 133 N 0.00 0.00 0.13 -1.96 4.32 -1.26 -4.90 117.00 113.33 3a3g n LEU 133 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.11 3a3g n LEU 133 Cb 0.00 0.00 0.49 0.00 -1.62 0.00 0.00 43.42 42.29 3a3g n LEU 133 CO 0.00 0.00 0.85 -1.54 -1.22 0.00 0.00 177.39 175.48 3a3g n SER 134 N 0.00 0.65 -0.14 -1.43 3.41 -1.26 0.04 113.62 114.89 3a3g n SER 134 Ca 0.00 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 3a3g n SER 134 Cb 0.00 -0.80 0.23 0.00 -0.26 0.00 0.00 64.21 63.37 3a3g n SER 134 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3a3g n GLU 135 N -2.23 0.42 -2.33 4.33 0.00 -1.26 -4.49 120.64 115.08 3a3g n GLU 135 Ca 0.02 -0.28 -0.26 0.00 0.00 0.00 0.00 57.16 56.65 3a3g n GLU 135 Cb 0.22 -1.49 0.12 0.00 0.00 0.00 0.00 31.44 30.29 3a3g n GLU 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3a3g s ASP 136 N -2.77 4.06 0.57 -1.84 -0.00 0.11 -4.90 116.67 111.90 3a3g s ASP 136 Ca 0.16 -0.04 0.03 0.00 -0.00 0.00 0.00 52.55 52.70 3a3g s ASP 136 Cb 0.18 -0.29 0.06 0.00 -0.00 0.00 0.00 42.92 42.87 3a3g s ASP 136 CO 0.64 -2.07 0.80 -1.00 -0.00 0.00 0.00 175.17 173.53 3a3g s HIS 137 N -3.38 2.36 -0.05 4.23 3.76 -1.26 -1.66 115.29 119.29 3a3g s HIS 137 Ca 0.67 -0.23 -0.16 0.00 -0.15 0.00 0.00 55.06 55.19 3a3g s HIS 137 Cb -0.06 -2.68 0.03 0.00 1.11 0.00 0.00 32.58 30.99 3a3g s HIS 137 CO 0.47 -1.03 0.36 -1.50 -0.85 0.00 0.00 174.74 172.18 3a3g s ILE 138 N -2.77 0.04 -0.20 0.60 2.07 -0.49 -4.35 121.20 116.10 3a3g s ILE 138 Ca 0.60 -0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 59.43 3a3g s ILE 138 Cb -0.08 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 3a3g s ILE 138 CO 0.39 -0.17 0.12 -0.83 -1.91 0.00 0.00 174.94 172.54 3a3g s GLY 139 N -0.92 2.02 -0.17 1.50 0.00 0.43 -2.22 107.32 107.96 3a3g s GLY 139 Ca -0.10 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3a3g s GLY 139 CO 0.04 0.12 -0.12 -0.42 0.00 0.00 0.00 173.10 172.72 3a3g s ILE 140 N 0.35 1.56 -1.22 0.90 -1.09 -0.57 -0.48 121.20 120.64 3a3g s ILE 140 Ca 0.07 -0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 57.63 3a3g s ILE 140 Cb -0.11 -1.56 0.05 0.00 -1.58 0.00 0.00 42.46 39.26 3a3g s ILE 140 CO -0.02 0.30 0.39 0.59 -1.23 0.00 0.00 174.94 174.98 3a3g n ASN 141 N 4.74 -3.82 0.00 3.58 5.03 -0.27 -1.29 115.26 123.23 3a3g n ASN 141 Ca -0.15 -0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.05 3a3g n ASN 141 Cb 0.48 -3.18 0.00 0.00 -1.02 0.00 0.00 39.78 36.07 3a3g n ASN 141 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a3g n GLY 142 N -1.11 0.81 3.55 7.41 0.00 -1.24 -3.36 105.19 111.26 3a3g n GLY 142 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3a3g n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3g s VAL 143 N -3.19 4.92 -0.16 1.61 1.01 -0.41 -4.12 120.40 120.06 3a3g s VAL 143 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 3a3g s VAL 143 Cb 0.00 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3a3g s VAL 143 CO 0.00 -0.35 0.57 -0.55 0.00 0.00 0.00 175.10 174.77 3a3g s SER 144 N 1.83 6.69 -0.03 3.32 0.15 -0.44 -1.51 113.70 123.71 3a3g s SER 144 Ca 0.22 0.83 -0.22 0.00 0.70 0.00 0.00 55.95 57.48 3a3g s SER 144 Cb -0.15 -2.33 0.04 0.00 -1.71 0.00 0.00 66.02 61.88 3a3g s SER 144 CO 0.15 -0.16 0.47 -2.28 1.20 0.00 0.00 173.24 172.62 3a3g s HIS 145 N 1.37 -0.39 0.37 3.44 5.04 -0.94 -4.92 115.29 119.26 3a3g s HIS 145 Ca 0.28 0.65 -0.27 0.00 -1.54 0.00 0.00 55.06 54.18 3a3g s HIS 145 Cb -0.16 0.23 -0.11 0.00 0.04 0.00 0.00 32.58 32.58 3a3g s HIS 145 CO 0.11 -0.48 1.27 -1.13 -2.34 0.00 0.00 174.74 172.17 3a3g n SER 146 N 1.13 2.63 -4.76 9.88 3.41 -1.26 -1.40 113.62 123.25 3a3g n SER 146 Ca -0.20 1.17 -0.40 0.00 -0.26 0.00 0.00 58.87 59.18 3a3g n SER 146 Cb 0.56 -1.48 -0.05 0.00 -0.26 0.00 0.00 64.21 62.98 3a3g n SER 146 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a3g s ILE 147 N -1.14 3.74 -0.22 -1.33 1.01 -0.67 -4.64 121.20 117.95 3a3g s ILE 147 Ca 0.58 1.71 -0.19 0.00 0.00 0.00 0.00 60.65 62.74 3a3g s ILE 147 Cb -0.55 -4.07 -0.16 0.00 0.01 0.00 0.00 42.46 37.69 3a3g s ILE 147 CO 0.61 0.38 0.05 1.21 0.00 0.00 0.00 174.94 177.18 3a3g n GLU 148 N 1.19 0.56 -3.62 2.79 4.07 0.24 -4.75 120.64 121.11 3a3g n GLU 148 Ca -0.01 0.50 -0.12 0.00 -0.06 0.00 0.00 57.16 57.47 3a3g n GLU 148 Cb 0.46 -1.68 -0.05 0.00 -0.06 0.00 0.00 31.44 30.10 3a3g n GLU 148 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3a3g s GLU 149 N -2.40 1.01 -0.10 5.31 2.02 -1.07 -5.02 118.70 118.45 3a3g s GLU 149 Ca -0.30 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.25 3a3g s GLU 149 Cb 0.08 0.45 0.02 0.00 0.10 0.00 0.00 34.13 34.77 3a3g s GLU 149 CO 0.54 -0.37 -0.13 0.42 0.02 0.00 0.00 175.26 175.74 3a3g s ILE 150 N -2.95 1.34 -0.12 -1.63 1.01 -1.26 -0.65 121.20 116.93 3a3g s ILE 150 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3a3g s ILE 150 Cb 0.00 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.24 3a3g s ILE 150 CO -0.06 0.41 -0.14 -0.44 0.00 0.00 0.00 174.94 174.71 3a3g s SER 151 N 1.09 2.44 1.78 3.58 0.01 -0.28 -5.00 113.70 117.31 3a3g s SER 151 Ca -0.05 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3a3g s SER 151 Cb -0.14 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.02 3a3g s SER 151 CO -0.02 -0.02 0.00 0.47 0.41 0.00 0.00 173.24 174.08 3a3g n ASP 152 N 4.43 0.00 -0.88 2.44 8.00 -1.26 -0.80 116.55 128.48 3a3g n ASP 152 Ca -0.18 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.39 3a3g n ASP 152 Cb 0.51 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.83 3a3g n ASP 152 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a3g n ASP 153 N 9.91 3.53 -4.36 -2.24 5.75 -1.26 -4.96 116.55 122.92 3a3g n ASP 153 Ca 0.00 -2.40 -0.34 0.00 -0.01 0.00 0.00 54.79 52.05 3a3g n ASP 153 Cb 0.00 -0.39 -0.14 0.00 -1.03 0.00 0.00 41.12 39.56 3a3g n ASP 153 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3a3g s ILE 154 N -1.72 3.26 -0.23 2.12 -5.25 0.02 -0.74 121.20 118.66 3a3g s ILE 154 Ca 0.34 -0.57 -0.11 0.00 -0.99 0.00 0.00 60.65 59.32 3a3g s ILE 154 Cb 0.23 -2.42 -0.05 0.00 2.95 0.00 0.00 42.46 43.17 3a3g s ILE 154 CO 0.15 0.48 0.20 0.27 -1.79 0.00 0.00 174.94 174.26 3a3g s ILE 155 N 0.78 5.34 -0.33 8.37 -5.25 0.72 -1.12 121.20 129.70 3a3g s ILE 155 Ca -0.03 0.28 -0.14 0.00 -0.99 0.00 0.00 60.65 59.77 3a3g s ILE 155 Cb -0.15 -3.54 -0.02 0.00 2.95 0.00 0.00 42.46 41.70 3a3g s ILE 155 CO 0.01 0.34 0.32 0.12 -1.79 0.00 0.00 174.94 173.95 3a3g s PHE 156 N 1.01 3.22 -0.15 1.37 5.36 0.18 -0.04 117.98 128.92 3a3g s PHE 156 Ca 0.10 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.04 3a3g s PHE 156 Cb -0.13 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.94 3a3g s PHE 156 CO 0.04 -0.38 -0.12 0.42 -1.46 0.00 0.00 175.22 173.72 3a3g s ILE 157 N 1.93 3.01 -0.46 3.12 1.01 0.68 -0.59 121.20 129.91 3a3g s ILE 157 Ca 0.10 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 3a3g s ILE 157 Cb -0.17 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 40.12 3a3g s ILE 157 CO 0.11 0.51 0.34 0.21 0.00 0.00 0.00 174.94 176.10 3a3g s ASN 158 N 0.64 5.78 0.05 3.58 3.84 -1.26 -0.37 114.94 127.19 3a3g s ASN 158 Ca -0.07 -1.68 -0.03 0.00 0.21 0.00 0.00 52.86 51.29 3a3g s ASN 158 Cb -0.15 -2.04 -0.05 0.00 -0.55 0.00 0.00 41.25 38.46 3a3g s ASN 158 CO 0.03 -0.65 0.25 -0.31 -2.79 0.00 0.00 177.10 173.63 3a3g s TYR 159 N 1.44 3.53 0.44 0.43 2.02 0.19 -4.92 117.35 120.48 3a3g s TYR 159 Ca 0.04 0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 56.92 3a3g s TYR 159 Cb -0.25 -1.89 -0.08 0.00 -0.40 0.00 0.00 41.96 39.34 3a3g s TYR 159 CO 0.02 0.58 1.28 -1.25 -1.57 0.00 0.00 175.55 174.60 3a3g s PRO 160 N -2.20 3.78 0.54 -1.71 0.04 -1.26 0.12 135.00 134.31 3a3g s PRO 160 Ca 0.32 2.08 0.20 0.00 0.04 0.00 0.00 61.00 63.65 3a3g s PRO 160 Cb -0.13 -2.59 1.43 0.00 0.04 0.00 0.00 34.50 33.24 3a3g s PRO 160 CO 0.22 -0.62 2.18 -0.22 0.04 0.00 0.00 177.00 178.59 3a3g h LYS 161 N 2.33 0.00 -0.33 4.56 3.64 -1.48 -2.20 116.57 123.09 3a3g h LYS 161 Ca -0.50 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 3a3g h LYS 161 Cb 1.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3a3g h LYS 161 CO 0.61 0.01 0.34 -2.95 -2.27 0.00 0.00 179.45 175.19 3a3g h ASN 162 N 0.00 0.00 0.86 4.20 7.08 -1.90 0.17 115.58 126.00 3a3g h ASN 162 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3a3g h ASN 162 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.26 3a3g h ASN 162 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 177.43 175.28 3a3g h LEU 163 N 0.00 0.00 -1.24 6.14 3.38 -1.77 -1.15 115.31 120.67 3a3g h LEU 163 Ca 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3a3g h LEU 163 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3a3g h LEU 163 CO -0.00 0.00 -0.20 0.28 0.09 0.00 0.00 178.44 178.60 3a3g h SER 164 N 0.00 0.26 0.00 -0.43 0.02 -0.83 -2.64 113.55 109.93 3a3g h SER 164 Ca 0.00 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 3a3g h SER 164 Cb 0.43 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 3a3g h SER 164 CO 0.00 0.48 -0.60 0.40 -1.14 0.00 0.00 176.83 175.97 3a3g h ILE 165 N 0.24 1.16 -0.00 3.27 2.04 -1.32 -3.30 117.51 119.59 3a3g h ILE 165 Ca 0.04 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3a3g h ILE 165 Cb 0.51 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 3a3g h ILE 165 CO 0.03 0.39 -0.24 0.35 0.00 0.00 0.00 178.15 178.68 3a3g n THR 166 N -4.54 0.00 -4.36 -0.27 -2.24 -0.93 -4.88 114.28 97.06 3a3g n THR 166 Ca -0.19 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 3a3g n THR 166 Cb 0.52 0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 3a3g n THR 166 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a3g s THR 167 N -2.60 0.62 -2.00 4.28 -4.23 -1.00 -4.62 115.64 106.10 3a3g s THR 167 Ca 0.23 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.84 3a3g s THR 167 Cb 0.19 -2.62 0.29 0.00 1.34 0.00 0.00 72.50 71.70 3a3g s THR 167 CO 0.54 0.00 1.24 -0.46 -0.54 0.00 0.00 174.62 175.39 3a3g n ASN 168 N -0.66 0.00 0.14 3.99 0.23 -1.26 -3.74 115.26 113.95 3a3g n ASN 168 Ca -0.01 -1.31 0.06 0.00 -0.53 0.00 0.00 54.58 52.79 3a3g n ASN 168 Cb 0.66 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.90 3a3g n ASN 168 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3a3g h LEU 169 N 0.00 0.22 0.00 -4.53 3.38 -1.85 -1.51 115.31 111.02 3a3g h LEU 169 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a3g h LEU 169 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3a3g h LEU 169 CO 0.00 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.30 3a3g n GLY 170 N -1.51 -0.89 0.58 0.83 0.00 -1.24 -2.06 105.19 100.89 3a3g n GLY 170 Ca -0.00 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3a3g n GLY 170 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a3g n THR 171 N -1.15 0.00 -2.51 2.61 -2.24 -0.57 -5.02 114.28 105.40 3a3g n THR 171 Ca 0.14 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 3a3g n THR 171 Cb 0.13 1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.62 3a3g n THR 171 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a3g s LEU 172 N -2.25 4.34 0.23 3.22 1.43 -0.87 -5.05 118.68 119.72 3a3g s LEU 172 Ca 0.19 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 3a3g s LEU 172 Cb 0.17 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3a3g s LEU 172 CO 0.47 -0.33 -0.03 -1.61 0.23 0.00 0.00 176.35 175.08 3a3g s GLU 173 N -1.99 1.34 -0.13 1.70 2.02 -1.26 -4.98 118.70 115.41 3a3g s GLU 173 Ca 0.51 -1.66 -0.39 0.00 0.02 0.00 0.00 54.97 53.45 3a3g s GLU 173 Cb -0.27 -0.72 -0.16 0.00 0.10 0.00 0.00 34.13 33.07 3a3g s GLU 173 CO 0.34 -0.04 1.56 1.17 0.02 0.00 0.00 175.26 178.30 3a3g n LYS 174 N -0.42 1.09 0.00 1.61 4.81 -1.26 -1.03 118.16 122.96 3a3g n LYS 174 Ca -0.06 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 3a3g n LYS 174 Cb 0.63 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.63 3a3g n LYS 174 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3g n GLY 175 N 3.42 1.16 3.73 3.14 0.00 0.46 -5.01 105.19 112.10 3a3g n GLY 175 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3a3g n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a3g s SER 176 N -1.89 6.49 0.30 1.61 0.01 -0.20 -4.73 113.70 115.30 3a3g s SER 176 Ca 0.00 2.76 -0.18 0.00 1.31 0.00 0.00 55.95 59.84 3a3g s SER 176 Cb 0.00 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 3a3g s SER 176 CO 0.00 -0.87 0.78 -1.81 0.41 0.00 0.00 173.24 171.75 3a3g s ASP 177 N 0.92 6.94 0.06 2.44 1.01 -1.26 -0.34 116.67 126.45 3a3g s ASP 177 Ca 0.69 1.43 0.01 0.00 0.71 0.00 0.00 52.55 55.38 3a3g s ASP 177 Cb -0.46 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.00 3a3g s ASP 177 CO 0.36 -0.13 -0.05 0.68 0.21 0.00 0.00 175.17 176.24 3a3g s VAL 178 N -1.82 0.43 -0.20 -1.27 -7.23 0.18 -4.95 120.40 105.55 3a3g s VAL 178 Ca 0.51 -1.68 -0.20 0.00 -1.81 0.00 0.00 61.98 58.81 3a3g s VAL 178 Cb -0.13 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 3a3g s VAL 178 CO 0.19 -0.83 0.58 0.20 -0.31 0.00 0.00 175.10 174.93 3a3g s ASN 179 N -2.65 6.62 -0.20 4.85 0.01 -1.26 -1.88 114.94 120.43 3a3g s ASN 179 Ca 0.04 0.75 -0.07 0.00 -0.71 0.00 0.00 52.86 52.87 3a3g s ASN 179 Cb 0.03 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 3a3g s ASN 179 CO -0.06 -0.23 0.06 -0.69 -1.51 0.00 0.00 177.10 174.67 3a3g s VAL 180 N 1.80 4.62 -0.22 1.60 1.01 0.02 -1.11 120.40 128.12 3a3g s VAL 180 Ca 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 3a3g s VAL 180 Cb -0.16 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3a3g s VAL 180 CO 0.10 0.42 -0.01 -0.70 0.00 0.00 0.00 175.10 174.91 3a3g s GLU 181 N 0.73 3.49 0.18 2.72 2.12 0.37 -0.57 118.70 127.74 3a3g s GLU 181 Ca 0.03 -0.57 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 3a3g s GLU 181 Cb -0.13 -3.07 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 3a3g s GLU 181 CO 0.02 -0.13 0.43 0.95 -0.54 0.00 0.00 175.26 175.99 3a3g s THR 182 N 1.35 5.11 -0.42 -1.70 -4.23 -1.26 -0.43 115.64 114.06 3a3g s THR 182 Ca 0.04 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.66 3a3g s THR 182 Cb -0.14 -3.65 0.17 0.00 1.34 0.00 0.00 72.50 70.22 3a3g s THR 182 CO -0.00 -0.05 0.38 0.18 -0.54 0.00 0.00 174.62 174.58 3a3g n LEU 183 N -0.16 -0.76 0.00 4.79 4.77 -1.26 -4.98 117.00 119.41 3a3g n LEU 183 Ca -0.02 -4.24 0.00 0.00 -0.03 0.00 0.00 56.01 51.72 3a3g n LEU 183 Cb 0.52 0.57 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 3a3g n LEU 183 CO 0.48 1.87 0.00 -0.46 -1.33 0.00 0.00 177.39 177.95