#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1g s ARG 4 N 0.00 2.84 -0.12 -4.13 0.52 -1.26 -5.07 118.95 111.73 3e1g s ARG 4 Ca 0.00 -0.95 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 3e1g s ARG 4 Cb 0.00 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.67 3e1g s ARG 4 CO 0.00 -0.32 1.91 0.15 0.02 0.00 0.00 175.30 177.06 3e1g s LYS 5 N 1.27 3.75 0.19 3.54 3.01 -1.26 -4.95 119.74 125.29 3e1g s LYS 5 Ca 0.01 2.12 -0.32 0.00 -1.01 0.00 0.00 55.97 56.78 3e1g s LYS 5 Cb -0.15 -4.17 -0.11 0.00 -1.01 0.00 0.00 37.83 32.39 3e1g s LYS 5 CO -0.09 -1.38 1.67 -1.25 0.51 0.00 0.00 175.35 174.81 3e1g s PRO 6 N 5.03 4.16 0.36 -1.68 0.04 -1.26 -5.02 135.00 136.62 3e1g s PRO 6 Ca 0.86 2.51 -0.06 0.00 0.04 0.00 0.00 61.00 64.35 3e1g s PRO 6 Cb -0.34 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3e1g s PRO 6 CO 0.35 -0.70 0.65 -0.65 0.04 0.00 0.00 177.00 176.69 3e1g s GLN 7 N 1.25 3.64 0.57 4.56 -1.52 -1.26 -4.81 119.66 122.08 3e1g s GLN 7 Ca 0.73 0.12 -0.20 0.00 -1.95 0.00 0.00 55.36 54.06 3e1g s GLN 7 Cb -0.47 -2.54 -0.06 0.00 -0.22 0.00 0.00 33.01 29.72 3e1g s GLN 7 CO 0.32 0.07 0.99 -0.35 -0.25 0.00 0.00 175.29 176.07 3e1g n PRO 8 N -1.34 1.02 -3.87 2.91 -0.04 -1.26 -4.73 135.00 127.70 3e1g n PRO 8 Ca -0.01 0.39 -0.10 0.00 -0.04 0.00 0.00 63.50 63.74 3e1g n PRO 8 Cb 0.54 -2.16 -0.09 0.00 -0.04 0.00 0.00 33.50 31.75 3e1g n PRO 8 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3e1g s PHE 9 N -1.47 0.08 0.01 0.54 -0.71 -0.85 -5.01 117.98 110.57 3e1g s PHE 9 Ca 0.73 -0.27 0.03 0.00 -1.04 0.00 0.00 56.93 56.38 3e1g s PHE 9 Cb -0.44 -0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.30 3e1g s PHE 9 CO 0.49 -0.37 -0.11 -2.00 -1.34 0.00 0.00 175.22 171.89 3e1g s GLU 10 N -2.20 0.81 -0.10 1.99 2.12 -1.26 -1.01 118.70 119.05 3e1g s GLU 10 Ca -0.08 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 54.76 3e1g s GLU 10 Cb -0.03 -0.77 -0.01 0.00 0.26 0.00 0.00 34.13 33.58 3e1g s GLU 10 CO -0.02 0.20 -0.18 0.71 -0.54 0.00 0.00 175.26 175.43 3e1g s TYR 11 N -0.53 2.67 0.26 5.30 2.02 0.30 -4.98 117.35 122.39 3e1g s TYR 11 Ca 0.02 -0.69 -0.30 0.00 -0.37 0.00 0.00 57.07 55.73 3e1g s TYR 11 Cb -0.06 -1.74 -0.09 0.00 -0.40 0.00 0.00 41.96 39.67 3e1g s TYR 11 CO 0.00 -0.21 1.11 -1.21 -1.57 0.00 0.00 175.55 173.68 3e1g s GLU 12 N 0.11 4.62 0.00 -0.62 0.41 -1.26 -1.44 118.70 120.51 3e1g s GLU 12 Ca -0.09 1.81 0.00 0.00 -0.41 0.00 0.00 54.97 56.28 3e1g s GLU 12 Cb -0.15 -3.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 3e1g s GLU 12 CO 0.05 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.39 3e1g n GLY 13 N 1.40 5.09 1.20 -1.39 0.00 -1.26 -4.36 105.19 105.87 3e1g n GLY 13 Ca -0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3e1g n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3e1g n THR 14 N 0.00 0.00 -0.08 2.61 -2.24 -1.26 -4.85 114.28 108.46 3e1g n THR 14 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 3e1g n THR 14 Cb 0.00 -0.51 -0.13 0.00 -2.10 0.00 0.00 70.33 67.59 3e1g n THR 14 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3e1g n ASP 15 N -2.25 2.03 -4.28 3.42 5.75 -1.26 -4.61 116.55 115.34 3e1g n ASP 15 Ca 0.00 -0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 3e1g n ASP 15 Cb 0.00 -0.58 -0.16 0.00 -1.03 0.00 0.00 41.12 39.35 3e1g n ASP 15 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3e1g s THR 16 N -2.53 1.98 0.10 2.12 2.01 -1.26 -0.69 115.64 117.37 3e1g s THR 16 Ca -0.31 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 60.70 3e1g s THR 16 Cb 0.08 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 3e1g s THR 16 CO 0.66 0.56 -0.16 -0.83 -0.69 0.00 0.00 174.62 174.16 3e1g s GLY 17 N -0.43 1.05 -0.08 4.40 0.00 0.11 -2.06 107.32 110.31 3e1g s GLY 17 Ca 0.05 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.60 3e1g s GLY 17 CO 0.01 -1.21 -0.09 0.14 0.00 0.00 0.00 173.10 171.94 3e1g s VAL 18 N -1.55 1.00 -0.22 1.40 1.01 0.87 -1.08 120.40 121.83 3e1g s VAL 18 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3e1g s VAL 18 Cb -0.08 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3e1g s VAL 18 CO 0.03 0.34 0.31 -0.69 0.00 0.00 0.00 175.10 175.09 3e1g s VAL 19 N 1.15 5.26 -0.21 2.92 1.01 0.06 -0.69 120.40 129.91 3e1g s VAL 19 Ca -0.06 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3e1g s VAL 19 Cb -0.14 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3e1g s VAL 19 CO -0.02 0.28 -0.15 -0.76 0.00 0.00 0.00 175.10 174.46 3e1g s LEU 20 N 1.25 2.55 -0.17 3.92 1.43 -0.58 -1.20 118.68 125.89 3e1g s LEU 20 Ca 0.14 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 3e1g s LEU 20 Cb -0.14 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3e1g s LEU 20 CO 0.07 -0.05 -0.03 -0.76 0.23 0.00 0.00 176.35 175.81 3e1g s LEU 21 N 1.29 3.26 0.75 1.79 1.43 -0.21 -4.11 118.68 122.89 3e1g s LEU 21 Ca 0.03 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3e1g s LEU 21 Cb -0.15 -1.80 0.13 0.00 0.03 0.00 0.00 46.19 44.41 3e1g s LEU 21 CO -0.09 0.15 1.03 -1.38 0.23 0.00 0.00 176.35 176.29 3e1g s HIS 22 N 0.50 1.64 0.51 0.29 -3.43 -1.26 -1.24 115.29 112.30 3e1g s HIS 22 Ca -0.03 -0.18 -0.03 0.00 -0.80 0.00 0.00 55.06 54.03 3e1g s HIS 22 Cb -0.14 -3.14 -0.00 0.00 -1.43 0.00 0.00 32.58 27.87 3e1g s HIS 22 CO 0.03 -1.81 0.78 0.00 -2.00 0.00 0.00 174.74 171.74 3e1g s ALA 23 N -3.24 3.51 0.22 -1.38 0.00 -1.24 -1.67 121.76 117.97 3e1g s ALA 23 Ca 0.67 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 3e1g s ALA 23 Cb -0.05 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 20.58 3e1g s ALA 23 CO 0.45 -0.55 1.41 -0.47 0.00 0.00 0.00 175.76 176.61 3e1g s TYR 24 N -2.76 3.10 0.00 0.00 5.04 -1.26 -1.30 117.35 120.17 3e1g s TYR 24 Ca 0.50 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 3e1g s TYR 24 Cb -0.10 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.44 3e1g s TYR 24 CO 0.42 -2.51 0.00 0.25 -1.34 0.00 0.00 175.55 172.37 3e1g n THR 25 N 2.68 0.00 -1.27 4.34 -2.24 -1.26 -4.99 114.28 111.54 3e1g n THR 25 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3e1g n THR 25 Cb 0.41 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3e1g n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e1g n GLY 26 N -0.10 1.65 3.57 3.38 0.00 -0.42 -4.92 105.19 108.36 3e1g n GLY 26 Ca 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 3e1g n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3e1g n SER 27 N 0.00 -1.57 0.18 1.61 3.41 -1.26 -4.37 113.62 111.62 3e1g n SER 27 Ca 0.00 -1.79 0.19 0.00 -0.26 0.00 0.00 58.87 57.00 3e1g n SER 27 Cb 0.00 2.54 0.80 0.00 -0.26 0.00 0.00 64.21 67.29 3e1g n SER 27 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3e1g h PRO 28 N 0.00 0.00 -0.18 4.33 0.11 -1.85 0.36 132.00 134.77 3e1g h PRO 28 Ca -0.25 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.88 3e1g h PRO 28 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3e1g h PRO 28 CO 0.33 0.00 0.12 -0.91 -0.21 0.00 0.00 178.00 177.34 3e1g h ASN 29 N 0.00 0.14 -1.24 -2.05 -0.26 -1.95 0.23 115.58 110.44 3e1g h ASN 29 Ca 0.12 -0.00 0.38 0.00 -0.56 0.00 0.00 56.30 56.24 3e1g h ASN 29 Cb 0.78 -0.03 -0.11 0.00 -1.06 0.00 0.00 38.32 37.90 3e1g h ASN 29 CO -0.00 0.10 0.81 0.44 -1.06 0.00 0.00 177.43 177.72 3e1g h ASP 30 N 0.16 0.28 -0.34 5.81 5.19 -1.32 -2.53 116.42 123.67 3e1g h ASP 30 Ca 0.07 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3e1g h ASP 30 Cb 0.10 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3e1g h ASP 30 CO -0.01 -0.08 0.00 0.23 -3.12 0.00 0.00 179.24 176.26 3e1g n MET 31 N -4.62 2.53 0.03 3.56 2.81 0.79 -4.55 117.12 117.68 3e1g n MET 31 Ca 0.33 -2.01 -0.10 0.00 -1.81 0.00 0.00 57.70 54.11 3e1g n MET 31 Cb 1.27 -1.30 -0.04 0.00 -0.71 0.00 0.00 33.22 32.44 3e1g n MET 31 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3e1g h ASN 32 N 2.38 -0.47 -0.36 7.83 4.21 -1.43 0.13 115.58 127.86 3e1g h ASN 32 Ca 0.00 0.08 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 3e1g h ASN 32 Cb 0.73 0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 38.13 3e1g h ASN 32 CO 0.00 -0.21 0.09 -0.26 -1.29 0.00 0.00 177.43 175.76 3e1g h PHE 33 N -0.23 0.61 0.43 1.19 0.04 -1.84 -2.50 116.94 114.64 3e1g h PHE 33 Ca 0.07 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3e1g h PHE 33 Cb 0.33 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3e1g h PHE 33 CO -0.24 0.61 -0.20 1.98 -0.60 0.00 0.00 178.31 179.85 3e1g h MET 34 N 0.44 -0.55 -0.71 1.51 4.05 -1.75 0.61 114.93 118.51 3e1g h MET 34 Ca 0.11 0.04 0.16 0.00 -0.28 0.00 0.00 59.70 59.73 3e1g h MET 34 Cb 0.30 0.13 -0.12 0.00 -0.80 0.00 0.00 31.60 31.11 3e1g h MET 34 CO 0.00 -0.26 0.08 0.00 0.23 0.00 0.00 176.91 176.96 3e1g h ALA 35 N -0.35 0.82 -0.34 0.39 0.00 -0.80 -0.16 119.26 118.81 3e1g h ALA 35 Ca -0.06 0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3e1g h ALA 35 Cb 0.55 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3e1g h ALA 35 CO 0.10 -0.39 -0.40 0.00 0.00 0.00 0.00 179.25 178.56 3e1g h ARG 36 N 0.17 0.82 -0.78 0.00 2.47 -1.33 0.45 114.38 116.18 3e1g h ARG 36 Ca 0.39 -0.43 0.13 0.00 -1.26 0.00 0.00 59.98 58.82 3e1g h ARG 36 Cb 0.68 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.93 3e1g h ARG 36 CO -0.57 1.07 0.37 0.00 0.56 0.00 0.00 179.97 181.39 3e1g h ALA 37 N 0.88 1.13 -0.14 0.04 0.00 -0.14 0.07 119.26 121.09 3e1g h ALA 37 Ca 0.05 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3e1g h ALA 37 Cb 0.97 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3e1g h ALA 37 CO 0.09 -0.12 -0.64 -0.07 0.00 0.00 0.00 179.25 178.51 3e1g h LEU 38 N 0.55 0.58 -0.61 0.00 3.38 -0.43 -2.79 115.31 115.99 3e1g h LEU 38 Ca 0.42 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3e1g h LEU 38 Cb 0.57 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3e1g h LEU 38 CO -0.35 1.07 0.33 -0.61 0.09 0.00 0.00 178.44 178.96 3e1g h GLN 39 N 0.37 0.85 0.00 1.13 4.15 -0.20 -1.92 115.11 119.48 3e1g h GLN 39 Ca -0.01 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3e1g h GLN 39 Cb 1.20 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 3e1g h GLN 39 CO 0.12 0.65 -0.04 0.00 -1.93 0.00 0.00 178.83 177.62 3e1g h ARG 40 N 0.82 0.00 -0.62 1.69 3.08 -0.75 -0.50 114.38 118.10 3e1g h ARG 40 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3e1g h ARG 40 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3e1g h ARG 40 CO -0.03 0.04 0.00 0.43 -1.07 0.00 0.00 179.97 179.34 3e1g n SER 41 N -4.21 3.65 0.00 7.04 7.64 -0.78 -4.94 113.62 122.02 3e1g n SER 41 Ca -0.03 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.66 3e1g n SER 41 Cb 0.13 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 3e1g n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1g n GLY 42 N 1.22 0.80 3.84 0.23 0.00 -0.20 -5.05 105.19 106.03 3e1g n GLY 42 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3e1g n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3e1g s TYR 43 N -2.08 3.51 0.54 1.61 2.02 -0.84 -4.22 117.35 117.89 3e1g s TYR 43 Ca 0.00 1.24 -0.17 0.00 -0.37 0.00 0.00 57.07 57.77 3e1g s TYR 43 Cb 0.00 -2.53 -0.06 0.00 -0.40 0.00 0.00 41.96 38.97 3e1g s TYR 43 CO 0.00 0.24 1.02 0.20 -1.57 0.00 0.00 175.55 175.44 3e1g s GLY 44 N -1.98 2.19 -0.12 0.71 0.00 -0.87 -4.05 107.32 103.20 3e1g s GLY 44 Ca 0.48 0.36 -0.09 0.00 0.00 0.00 0.00 44.72 45.47 3e1g s GLY 44 CO 0.19 0.66 0.30 0.14 0.00 0.00 0.00 173.10 174.40 3e1g s VAL 45 N -2.41 -0.02 -0.07 1.40 1.01 -0.52 -0.09 120.40 119.70 3e1g s VAL 45 Ca 0.63 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.68 3e1g s VAL 45 Cb -0.14 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.82 3e1g s VAL 45 CO 0.31 0.02 -0.09 -0.47 0.00 0.00 0.00 175.10 174.87 3e1g s TYR 46 N 0.68 1.25 -0.37 5.22 5.04 0.13 -0.54 117.35 128.77 3e1g s TYR 46 Ca -0.04 -0.48 0.03 0.00 -2.44 0.00 0.00 57.07 54.13 3e1g s TYR 46 Cb -0.06 -0.99 0.11 0.00 0.35 0.00 0.00 41.96 41.37 3e1g s TYR 46 CO -0.04 -0.31 0.11 0.08 -1.34 0.00 0.00 175.55 174.05 3e1g s VAL 47 N 0.99 1.87 0.78 3.14 1.01 -0.18 -1.52 120.40 126.50 3e1g s VAL 47 Ca -0.09 -2.26 -0.12 0.00 0.00 0.00 0.00 61.98 59.52 3e1g s VAL 47 Cb -0.15 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.92 3e1g s VAL 47 CO 0.00 -0.68 1.11 -2.16 0.00 0.00 0.00 175.10 173.38 3e1g s PRO 48 N 0.87 2.20 -0.20 2.72 0.04 -1.26 -2.00 135.00 137.37 3e1g s PRO 48 Ca 0.12 0.47 -0.06 0.00 0.04 0.00 0.00 61.00 61.57 3e1g s PRO 48 Cb -0.20 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3e1g s PRO 48 CO -0.11 -1.50 0.04 -1.17 0.04 0.00 0.00 177.00 174.31 3e1g s LEU 49 N -5.65 3.53 0.32 -3.56 2.96 -1.26 -4.59 118.68 110.44 3e1g s LEU 49 Ca 0.60 -0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 54.17 3e1g s LEU 49 Cb -0.13 -1.90 -0.09 0.00 0.50 0.00 0.00 46.19 44.56 3e1g s LEU 49 CO 0.53 0.10 1.01 -0.36 -1.32 0.00 0.00 176.35 176.30 3e1g s PHE 50 N 0.83 3.59 0.44 5.38 0.08 -1.26 -4.99 117.98 122.05 3e1g s PHE 50 Ca 0.02 1.75 -0.25 0.00 0.12 0.00 0.00 56.93 58.57 3e1g s PHE 50 Cb -0.14 -3.07 -0.09 0.00 -0.57 0.00 0.00 43.02 39.15 3e1g s PHE 50 CO 0.02 -0.16 1.26 0.43 -0.10 0.00 0.00 175.22 176.67 3e1g n SER 51 N 0.66 2.45 0.00 1.36 7.64 -1.26 -2.15 113.62 122.31 3e1g n SER 51 Ca 0.02 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.97 3e1g n SER 51 Cb 0.48 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 3e1g n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1g n GLY 52 N 0.84 2.97 3.92 0.23 0.00 -1.26 -4.12 105.19 107.76 3e1g n GLY 52 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3e1g n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3e1g s HIS 53 N -2.12 3.48 0.00 1.61 4.02 -0.92 -2.04 115.29 119.32 3e1g s HIS 53 Ca 0.00 0.44 0.00 0.00 1.02 0.00 0.00 55.06 56.52 3e1g s HIS 53 Cb 0.00 -1.93 0.00 0.00 -1.02 0.00 0.00 32.58 29.63 3e1g s HIS 53 CO 0.00 0.36 0.00 0.41 1.02 0.00 0.00 174.74 176.53 3e1g n GLY 54 N -0.53 0.61 2.47 -2.22 0.00 -1.26 -4.90 105.19 99.36 3e1g n GLY 54 Ca -0.04 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 3e1g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3e1g n THR 55 N -2.63 0.00 1.36 2.61 -2.24 -1.26 -4.18 114.28 107.94 3e1g n THR 55 Ca 0.00 -1.46 0.13 0.00 -2.27 0.00 0.00 64.05 60.45 3e1g n THR 55 Cb 0.00 -0.07 0.41 0.00 -2.10 0.00 0.00 70.33 68.57 3e1g n THR 55 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3e1g n VAL 56 N -1.23 0.00 -4.03 2.28 3.14 -1.26 -4.76 118.33 112.47 3e1g n VAL 56 Ca -0.04 -0.31 -0.31 0.00 -2.96 0.00 0.00 64.34 60.72 3e1g n VAL 56 Cb 0.41 0.75 -0.15 0.00 -1.06 0.00 0.00 33.84 33.79 3e1g n VAL 56 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3e1g s GLU 57 N -2.02 1.85 0.57 1.45 2.56 -1.26 -4.65 118.70 117.20 3e1g s GLU 57 Ca 0.35 -1.53 0.33 0.00 0.00 0.00 0.00 54.97 54.12 3e1g s GLU 57 Cb 0.21 -2.97 1.74 0.00 2.00 0.00 0.00 34.13 35.10 3e1g s GLU 57 CO 0.33 -0.73 2.16 -1.35 -0.56 0.00 0.00 175.26 175.11 3e1g h PRO 58 N 7.73 0.00 0.00 4.30 0.11 -1.93 -1.26 132.00 140.95 3e1g h PRO 58 Ca -0.13 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 3e1g h PRO 58 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3e1g h PRO 58 CO 0.48 0.06 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.05 3e1g h LEU 59 N 0.00 0.00 -1.36 2.35 3.38 -1.94 -2.67 115.31 115.08 3e1g h LEU 59 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3e1g h LEU 59 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3e1g h LEU 59 CO 0.01 0.21 0.47 0.44 0.09 0.00 0.00 178.44 179.66 3e1g h ASP 60 N 0.00 0.70 -0.58 -0.43 3.32 -1.46 0.10 116.42 118.06 3e1g h ASP 60 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3e1g h ASP 60 Cb 0.47 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3e1g h ASP 60 CO 0.03 0.46 0.38 0.40 -1.72 0.00 0.00 179.24 178.79 3e1g h ILE 61 N 0.80 1.16 0.00 0.35 2.04 -1.04 0.31 117.51 121.13 3e1g h ILE 61 Ca 0.30 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 3e1g h ILE 61 Cb 0.17 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3e1g h ILE 61 CO -0.09 0.15 -0.71 -0.07 0.00 0.00 0.00 178.15 177.43 3e1g h LEU 62 N 0.79 0.00 0.00 1.44 3.38 -1.48 -2.77 115.31 116.66 3e1g h LEU 62 Ca 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3e1g h LEU 62 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3e1g h LEU 62 CO -0.04 0.71 -1.53 0.35 0.09 0.00 0.00 178.44 178.02 3e1g n THR 63 N -3.42 0.20 0.47 0.22 -2.24 -0.04 -4.64 114.28 104.82 3e1g n THR 63 Ca 0.00 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.55 3e1g n THR 63 Cb 0.77 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 3e1g n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3e1g n LYS 64 N -2.01 3.13 -4.34 -0.78 5.02 0.11 -5.00 118.16 114.30 3e1g n LYS 64 Ca -0.06 -0.21 -0.24 0.00 -2.02 0.00 0.00 58.31 55.79 3e1g n LYS 64 Cb 0.43 -1.02 -0.12 0.00 -0.02 0.00 0.00 35.03 34.31 3e1g n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3e1g s GLY 65 N -1.77 1.40 0.25 0.72 0.00 -1.05 -4.25 107.32 102.63 3e1g s GLY 65 Ca 0.05 -1.44 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 3e1g s GLY 65 CO 0.36 -1.47 0.65 0.54 0.00 0.00 0.00 173.10 173.19 3e1g s ASN 66 N -2.40 -0.26 0.52 1.64 2.20 -1.26 -4.71 114.94 110.67 3e1g s ASN 66 Ca 0.14 -0.60 0.21 0.00 -0.94 0.00 0.00 52.86 51.67 3e1g s ASN 66 Cb -0.08 0.68 1.40 0.00 -2.00 0.00 0.00 41.25 41.25 3e1g s ASN 66 CO 0.06 -1.25 2.14 -0.65 -2.94 0.00 0.00 177.10 174.46 3e1g h PRO 67 N 2.06 0.00 -0.04 3.55 0.11 -1.94 -1.07 132.00 134.68 3e1g h PRO 67 Ca -0.22 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.67 3e1g h PRO 67 Cb 1.26 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.38 3e1g h PRO 67 CO 0.28 0.06 -0.83 -0.44 -0.21 0.00 0.00 178.00 176.86 3e1g h ASP 68 N 0.00 0.79 -0.45 -2.05 3.32 -1.96 -1.16 116.42 114.91 3e1g h ASP 68 Ca -0.00 -0.72 -0.00 0.00 0.02 0.00 0.00 57.03 56.33 3e1g h ASP 68 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3e1g h ASP 68 CO 0.01 1.40 0.27 0.40 -1.72 0.00 0.00 179.24 179.59 3e1g h ILE 69 N 0.26 1.15 -0.02 0.35 2.04 -1.81 -1.94 117.51 117.54 3e1g h ILE 69 Ca -0.09 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 3e1g h ILE 69 Cb 1.49 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3e1g h ILE 69 CO 0.16 0.15 -0.46 -0.50 0.00 0.00 0.00 178.15 177.51 3e1g h TRP 70 N 0.60 0.04 -0.34 1.37 6.55 -1.20 -1.30 115.95 121.67 3e1g h TRP 70 Ca 0.16 -0.01 -0.16 0.00 0.95 0.00 0.00 58.89 59.83 3e1g h TRP 70 Cb 0.01 -0.01 -0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3e1g h TRP 70 CO -0.03 0.49 -0.41 2.35 -1.05 0.00 0.00 178.44 179.79 3e1g h TRP 71 N 0.03 1.07 -0.53 0.49 -0.00 -1.13 -1.26 115.95 114.62 3e1g h TRP 71 Ca -0.00 -0.34 0.04 0.00 -0.00 0.00 0.00 58.89 58.60 3e1g h TRP 71 Cb 0.82 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.72 3e1g h TRP 71 CO 0.00 1.15 0.28 0.00 -0.00 0.00 0.00 178.44 179.87 3e1g h ALA 72 N 0.73 0.69 -0.17 2.65 0.00 -0.67 -0.73 119.26 121.76 3e1g h ALA 72 Ca 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3e1g h ALA 72 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3e1g h ALA 72 CO 0.10 -0.06 -0.46 0.93 0.00 0.00 0.00 179.25 179.76 3e1g h GLU 73 N 0.54 0.42 -0.09 0.00 5.08 -1.18 0.09 114.58 119.44 3e1g h GLU 73 Ca 0.23 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3e1g h GLU 73 Cb 0.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3e1g h GLU 73 CO -0.15 0.80 0.01 0.77 -1.00 0.00 0.00 179.01 179.43 3e1g h SER 74 N 0.34 0.14 0.14 1.42 0.02 -0.82 -2.06 113.55 112.73 3e1g h SER 74 Ca 0.02 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 3e1g h SER 74 Cb 0.94 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3e1g h SER 74 CO 0.08 0.39 -0.34 0.77 -1.14 0.00 0.00 176.83 176.59 3e1g h SER 75 N -0.11 0.29 -0.00 3.07 4.64 -1.08 -0.43 113.55 119.93 3e1g h SER 75 Ca 0.03 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 3e1g h SER 75 Cb 0.31 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3e1g h SER 75 CO 0.00 0.62 -0.08 0.00 -0.87 0.00 0.00 176.83 176.50 3e1g h ALA 76 N 1.40 1.61 0.11 5.18 0.00 -0.91 -1.59 119.26 125.07 3e1g h ALA 76 Ca 0.03 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 3e1g h ALA 76 Cb 0.72 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.45 3e1g h ALA 76 CO 0.05 0.29 -1.21 0.00 0.00 0.00 0.00 179.25 178.38 3e1g h ALA 77 N 1.72 0.07 -0.14 0.00 0.00 -0.47 -0.45 119.26 119.99 3e1g h ALA 77 Ca 0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 3e1g h ALA 77 Cb 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3e1g h ALA 77 CO 0.01 0.78 0.08 0.28 0.00 0.00 0.00 179.25 180.40 3e1g h VAL 78 N 0.21 1.09 -0.58 0.00 2.07 -0.96 -2.72 116.25 115.36 3e1g h VAL 78 Ca -0.16 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3e1g h VAL 78 Cb 1.89 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 3e1g h VAL 78 CO 0.22 0.08 0.30 0.00 0.02 0.00 0.00 177.57 178.19 3e1g h ALA 79 N 0.98 0.75 -0.86 1.67 0.00 -1.05 0.41 119.26 121.15 3e1g h ALA 79 Ca 0.05 0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.19 3e1g h ALA 79 Cb 0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.64 3e1g h ALA 79 CO -0.01 -0.04 0.33 1.25 0.00 0.00 0.00 179.25 180.78 3e1g h HIS 80 N 0.57 0.54 0.00 0.00 6.17 -0.94 -2.12 115.15 119.37 3e1g h HIS 80 Ca 0.26 0.04 -0.28 0.00 0.71 0.00 0.00 60.37 61.10 3e1g h HIS 80 Cb 0.17 -0.10 -0.05 0.00 2.52 0.00 0.00 27.41 29.95 3e1g h HIS 80 CO -0.10 -0.08 -1.58 0.52 0.71 0.00 0.00 177.93 177.41 3e1g h MET 81 N 0.35 0.01 0.00 5.26 2.86 -0.89 -3.28 114.93 119.23 3e1g h MET 81 Ca 0.53 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.15 3e1g h MET 81 Cb 1.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 3e1g h MET 81 CO -0.54 0.60 -0.07 1.79 1.06 0.00 0.00 176.91 179.75 3e1g h THR 82 N 0.00 0.14 0.00 2.22 1.35 -0.66 -1.69 112.91 114.27 3e1g h THR 82 Ca -0.23 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3e1g h THR 82 Cb 1.97 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 3e1g h THR 82 CO 0.09 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.43 3e1g h ALA 83 N 1.93 1.00 0.00 6.62 0.00 -1.45 -3.36 119.26 124.00 3e1g h ALA 83 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3e1g h ALA 83 Cb 0.90 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3e1g h ALA 83 CO 0.01 0.00 -1.97 1.63 0.00 0.00 0.00 179.25 178.92 3e1g n LYS 84 N -2.71 0.39 -4.43 0.00 5.02 -0.71 -5.04 118.16 110.68 3e1g n LYS 84 Ca 0.02 0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 3e1g n LYS 84 Cb 0.29 -1.21 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 3e1g n LYS 84 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3e1g s TYR 85 N -2.33 2.77 0.21 2.13 2.02 -0.76 -5.02 117.35 116.38 3e1g s TYR 85 Ca -0.24 -0.12 -0.10 0.00 -0.37 0.00 0.00 57.07 56.24 3e1g s TYR 85 Cb 0.08 -1.52 0.19 0.00 -0.40 0.00 0.00 41.96 40.31 3e1g s TYR 85 CO 0.34 0.36 1.87 0.00 -1.57 0.00 0.00 175.55 176.55 3e1g h ALA 86 N 4.22 0.97 -4.19 3.71 0.00 -1.16 -3.43 119.26 119.37 3e1g h ALA 86 Ca -0.48 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 53.89 3e1g h ALA 86 Cb 1.16 -0.27 -0.29 0.00 0.00 0.00 0.00 17.79 18.39 3e1g h ALA 86 CO 0.52 0.32 -0.82 0.15 0.00 0.00 0.00 179.25 179.42 3e1g s LYS 87 N -6.12 1.20 -0.05 0.00 1.02 -0.81 -5.03 119.74 109.95 3e1g s LYS 87 Ca -0.13 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.30 3e1g s LYS 87 Cb 0.15 -1.17 0.02 0.00 -0.52 0.00 0.00 37.83 36.31 3e1g s LYS 87 CO 0.78 0.32 -0.04 0.08 -0.92 0.00 0.00 175.35 175.56 3e1g s VAL 88 N -0.42 0.54 0.13 3.17 1.01 -1.26 0.10 120.40 123.67 3e1g s VAL 88 Ca 0.05 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 61.98 3e1g s VAL 88 Cb -0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3e1g s VAL 88 CO -0.00 0.23 0.03 -0.36 0.00 0.00 0.00 175.10 174.99 3e1g s PHE 89 N 0.98 2.98 -0.09 5.22 0.08 -0.24 -1.44 117.98 125.47 3e1g s PHE 89 Ca -0.10 -0.05 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3e1g s PHE 89 Cb -0.14 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3e1g s PHE 89 CO -0.00 0.50 -0.01 0.08 -0.10 0.00 0.00 175.22 175.69 3e1g s VAL 90 N -1.53 0.51 0.10 -0.44 1.01 -0.88 -0.76 120.40 118.42 3e1g s VAL 90 Ca 0.27 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.33 3e1g s VAL 90 Cb -0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3e1g s VAL 90 CO 0.20 0.26 -0.18 -0.36 0.00 0.00 0.00 175.10 175.01 3e1g s PHE 91 N 1.91 1.58 -0.06 5.22 0.08 -0.34 -1.40 117.98 124.97 3e1g s PHE 91 Ca 0.05 -0.45 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 3e1g s PHE 91 Cb -0.13 -0.86 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 3e1g s PHE 91 CO -0.06 0.17 0.21 0.20 -0.10 0.00 0.00 175.22 175.64 3e1g s GLY 92 N -2.00 -0.13 -0.17 4.36 0.00 -0.93 -1.04 107.32 107.41 3e1g s GLY 92 Ca 0.05 0.48 -0.18 0.00 0.00 0.00 0.00 44.72 45.06 3e1g s GLY 92 CO 0.04 0.38 0.51 -2.27 0.00 0.00 0.00 173.10 171.75 3e1g s LEU 93 N -0.21 4.20 0.00 0.66 0.20 -0.37 -0.04 118.68 123.11 3e1g s LEU 93 Ca -0.03 0.74 0.00 0.00 0.69 0.00 0.00 54.13 55.53 3e1g s LEU 93 Cb -0.03 -2.71 0.00 0.00 -0.43 0.00 0.00 46.19 43.02 3e1g s LEU 93 CO 0.01 -0.11 0.00 -0.24 -0.29 0.00 0.00 176.35 175.72 3e1g n SER 94 N 4.35 0.00 -0.18 3.68 2.88 -0.19 -0.82 113.62 123.33 3e1g n SER 94 Ca -0.05 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3e1g n SER 94 Cb 0.51 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.06 3e1g n SER 94 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3e1g h LEU 95 N 0.00 -0.15 -1.82 2.46 5.85 -1.87 0.38 115.31 120.16 3e1g h LEU 95 Ca 0.00 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3e1g h LEU 95 Cb 0.00 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3e1g h LEU 95 CO 0.00 -0.06 0.17 1.23 -0.34 0.00 0.00 178.44 179.45 3e1g h GLY 96 N 0.16 0.27 1.00 3.75 0.00 -0.04 -2.59 103.07 105.63 3e1g h GLY 96 Ca 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 3e1g h GLY 96 CO -0.44 0.09 0.31 -1.33 0.00 0.00 0.00 176.54 175.17 3e1g h GLY 97 N 0.24 1.03 0.28 4.60 0.00 -0.94 0.11 103.07 108.39 3e1g h GLY 97 Ca 0.10 -0.52 0.05 0.00 0.00 0.00 0.00 47.33 46.96 3e1g h GLY 97 CO -0.02 0.49 -0.25 -2.22 0.00 0.00 0.00 176.54 174.53 3e1g h ILE 98 N 0.92 0.40 -0.40 2.60 2.04 -1.41 -0.01 117.51 121.64 3e1g h ILE 98 Ca 0.23 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.05 3e1g h ILE 98 Cb 0.13 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3e1g h ILE 98 CO -0.03 0.00 0.08 -0.26 0.00 0.00 0.00 178.15 177.94 3e1g h PHE 99 N -0.33 0.62 -0.85 1.37 0.04 -1.45 -1.73 116.94 114.61 3e1g h PHE 99 Ca 0.10 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3e1g h PHE 99 Cb 0.47 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 3e1g h PHE 99 CO -0.35 0.55 0.42 0.00 -0.60 0.00 0.00 178.31 178.33 3e1g h ALA 100 N 1.50 1.14 -0.03 2.45 0.00 -0.43 -0.56 119.26 123.33 3e1g h ALA 100 Ca 0.13 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3e1g h ALA 100 Cb 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3e1g h ALA 100 CO 0.00 0.66 -0.80 0.52 0.00 0.00 0.00 179.25 179.62 3e1g h MET 101 N 1.20 0.30 -0.34 0.00 2.86 -0.76 -2.16 114.93 116.03 3e1g h MET 101 Ca 0.29 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3e1g h MET 101 Cb 0.10 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3e1g h MET 101 CO -0.04 0.95 -0.27 -0.22 1.06 0.00 0.00 176.91 178.39 3e1g h LYS 102 N 0.19 0.70 -0.27 1.72 3.64 -1.02 -0.57 116.57 120.95 3e1g h LYS 102 Ca -0.04 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 59.09 3e1g h LYS 102 Cb 1.40 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.15 3e1g h LYS 102 CO 0.13 0.90 -0.02 0.00 -2.27 0.00 0.00 179.45 178.18 3e1g h ALA 103 N 1.09 0.22 -0.24 5.00 0.00 -0.87 0.15 119.26 124.61 3e1g h ALA 103 Ca 0.08 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3e1g h ALA 103 Cb 0.77 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3e1g h ALA 103 CO 0.06 -0.44 -0.14 -0.07 0.00 0.00 0.00 179.25 178.67 3e1g h LEU 104 N 0.05 0.39 -0.40 0.00 3.38 -0.99 0.85 115.31 118.58 3e1g h LEU 104 Ca 0.13 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3e1g h LEU 104 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3e1g h LEU 104 CO -0.24 0.55 -0.40 -0.33 0.09 0.00 0.00 178.44 178.12 3e1g h GLU 105 N 0.37 0.92 0.00 1.13 5.08 -0.68 -3.41 114.58 117.99 3e1g h GLU 105 Ca 0.07 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3e1g h GLU 105 Cb 0.47 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3e1g h GLU 105 CO 0.03 1.14 -0.57 0.25 -1.00 0.00 0.00 179.01 178.86 3e1g n THR 106 N -4.05 0.00 -4.41 1.13 -2.24 0.00 -4.83 114.28 99.88 3e1g n THR 106 Ca -0.02 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 3e1g n THR 106 Cb 0.55 0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 3e1g n THR 106 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3e1g s LEU 107 N -2.01 3.40 0.40 3.22 1.43 0.27 -5.03 118.68 120.36 3e1g s LEU 107 Ca 0.00 0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 3e1g s LEU 107 Cb 0.00 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 3e1g s LEU 107 CO 0.00 0.32 0.89 -2.16 0.23 0.00 0.00 176.35 175.63 3e1g s PRO 108 N -1.22 4.14 0.00 1.29 0.04 -1.26 -4.47 135.00 133.53 3e1g s PRO 108 Ca 0.16 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.17 3e1g s PRO 108 Cb -0.11 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3e1g s PRO 108 CO 0.06 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.52 3e1g n GLY 109 N -0.63 0.81 3.73 0.56 0.00 -1.26 -5.03 105.19 103.37 3e1g n GLY 109 Ca 0.06 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3e1g n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3e1g s ILE 110 N -2.00 5.35 -0.08 -0.61 1.01 -1.26 -4.52 121.20 119.09 3e1g s ILE 110 Ca 0.00 0.39 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 3e1g s ILE 110 Cb 0.00 -3.56 -0.24 0.00 0.01 0.00 0.00 42.46 38.67 3e1g s ILE 110 CO 0.00 0.41 0.99 0.74 0.00 0.00 0.00 174.94 177.08 3e1g h THR 111 N 4.68 1.60 -2.38 2.92 2.02 -1.65 -3.48 112.91 116.62 3e1g h THR 111 Ca -0.41 -1.88 0.18 0.00 0.77 0.00 0.00 66.41 65.07 3e1g h THR 111 Cb 1.16 2.85 -0.06 0.00 -1.74 0.00 0.00 68.15 70.36 3e1g h THR 111 CO 0.76 0.50 0.57 0.00 0.37 0.00 0.00 175.52 177.71 3e1g s ALA 112 N -3.08 -1.67 0.00 6.16 0.00 -1.24 -4.35 121.76 117.57 3e1g s ALA 112 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3e1g s ALA 112 Cb -0.01 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3e1g s ALA 112 CO 0.70 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3e1g n GLY 113 N -0.61 -1.25 0.00 0.00 0.00 -1.09 -2.08 105.19 100.17 3e1g n GLY 113 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3e1g n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1g n GLY 114 N 0.00 -0.56 2.98 -0.02 0.00 -0.49 -0.51 105.19 106.59 3e1g n GLY 114 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 3e1g n GLY 114 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3e1g s VAL 115 N -3.48 0.51 -0.20 1.61 -7.23 -0.27 -2.19 120.40 109.15 3e1g s VAL 115 Ca 0.00 -0.31 -0.06 0.00 -1.81 0.00 0.00 61.98 59.80 3e1g s VAL 115 Cb 0.00 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 3e1g s VAL 115 CO 0.00 0.12 0.03 -0.36 -0.31 0.00 0.00 175.10 174.58 3e1g s PHE 116 N -0.20 3.12 -0.95 2.82 0.08 0.94 -1.37 117.98 122.41 3e1g s PHE 116 Ca 0.02 -0.22 -0.21 0.00 0.12 0.00 0.00 56.93 56.63 3e1g s PHE 116 Cb -0.03 -2.09 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3e1g s PHE 116 CO -0.00 -0.08 0.57 0.43 -0.10 0.00 0.00 175.22 176.03 3e1g n SER 117 N 3.99 -3.72 -3.20 1.36 7.64 0.47 -1.02 113.62 119.14 3e1g n SER 117 Ca -0.17 -1.05 -0.12 0.00 1.01 0.00 0.00 58.87 58.54 3e1g n SER 117 Cb 0.52 -1.37 -0.05 0.00 -1.01 0.00 0.00 64.21 62.30 3e1g n SER 117 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3e1g s SER 118 N -3.46 0.04 0.43 6.43 0.15 -1.26 -2.66 113.70 113.38 3e1g s SER 118 Ca 0.30 -1.69 0.30 0.00 0.70 0.00 0.00 55.95 55.56 3e1g s SER 118 Cb -0.17 1.00 1.27 0.00 -1.71 0.00 0.00 66.02 66.42 3e1g s SER 118 CO 0.83 -0.18 1.89 -0.65 1.20 0.00 0.00 173.24 176.32 3e1g h PRO 119 N 6.35 0.00 0.00 5.44 0.11 -1.89 -3.46 132.00 138.54 3e1g h PRO 119 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3e1g h PRO 119 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3e1g h PRO 119 CO 0.16 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.06 3e1g n ILE 120 N -2.71 0.00 -1.59 4.15 2.08 -1.26 -4.47 119.36 115.56 3e1g n ILE 120 Ca 0.01 0.00 -0.60 0.00 0.56 0.00 0.00 62.75 62.72 3e1g n ILE 120 Cb 0.25 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.05 3e1g n ILE 120 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3e1g n LEU 121 N 0.00 1.67 -4.71 1.39 4.32 -1.26 -4.73 117.00 113.68 3e1g n LEU 121 Ca 0.00 0.93 -0.37 0.00 -0.02 0.00 0.00 56.01 56.55 3e1g n LEU 121 Cb 0.00 -1.03 0.07 0.00 -1.62 0.00 0.00 43.42 40.84 3e1g n LEU 121 CO 0.00 -0.66 0.84 -2.65 -1.22 0.00 0.00 177.39 173.70 3e1g n PRO 122 N 5.82 1.07 0.00 3.23 -0.02 -1.26 -4.99 135.00 138.85 3e1g n PRO 122 Ca 0.36 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3e1g n PRO 122 Cb 0.05 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 3e1g n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e1g n GLY 123 N 0.99 2.87 3.62 -1.23 0.00 -1.26 -5.11 105.19 105.07 3e1g n GLY 123 Ca 0.16 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 3e1g n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e1g s LYS 124 N 1.01 3.78 0.25 1.61 2.36 -1.26 -4.97 119.74 122.52 3e1g s LYS 124 Ca 0.00 1.32 0.03 0.00 -2.55 0.00 0.00 55.97 54.76 3e1g s LYS 124 Cb 0.00 -3.97 -0.05 0.00 -1.05 0.00 0.00 37.83 32.76 3e1g s LYS 124 CO 0.00 -1.30 0.04 -3.38 1.55 0.00 0.00 175.35 172.26 3e1g s HIS 125 N 4.96 1.59 -0.35 4.03 -0.00 -1.26 -3.19 115.29 121.07 3e1g s HIS 125 Ca 0.63 -1.03 0.10 0.00 -0.00 0.00 0.00 55.06 54.75 3e1g s HIS 125 Cb -0.19 -0.95 0.45 0.00 -0.00 0.00 0.00 32.58 31.89 3e1g s HIS 125 CO 0.27 -0.16 1.11 0.72 -0.00 0.00 0.00 174.74 176.69 3e1g n HIS 126 N -0.46 2.59 0.11 0.38 8.25 0.16 -4.84 115.22 121.41 3e1g n HIS 126 Ca -0.03 -2.64 0.02 0.00 -0.26 0.00 0.00 57.72 54.82 3e1g n HIS 126 Cb 0.65 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 3e1g n HIS 126 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3e1g h LEU 127 N 2.51 0.00 0.32 2.41 3.38 -1.93 -2.22 115.31 119.78 3e1g h LEU 127 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3e1g h LEU 127 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3e1g h LEU 127 CO 0.68 0.48 -0.16 0.58 0.09 0.00 0.00 178.44 180.12 3e1g h VAL 128 N 0.00 0.65 -0.77 1.22 2.07 -1.95 0.29 116.25 117.76 3e1g h VAL 128 Ca -0.05 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.90 3e1g h VAL 128 Cb 1.41 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3e1g h VAL 128 CO 0.05 0.11 0.48 -0.65 0.02 0.00 0.00 177.57 177.59 3e1g h PRO 129 N -0.79 0.91 0.10 1.57 0.11 -1.96 -1.98 132.00 129.95 3e1g h PRO 129 Ca -0.04 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.03 3e1g h PRO 129 Cb 0.51 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 3e1g h PRO 129 CO 0.07 0.60 -0.21 0.78 -0.21 0.00 0.00 178.00 179.03 3e1g h GLY 130 N 0.93 -0.37 0.48 -0.55 0.00 -1.35 -0.95 103.07 101.26 3e1g h GLY 130 Ca 0.31 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.95 3e1g h GLY 130 CO -0.12 -0.19 0.09 -2.75 0.00 0.00 0.00 176.54 173.57 3e1g h PHE 131 N -0.39 0.15 -0.54 5.60 3.57 -0.10 -0.44 116.94 124.78 3e1g h PHE 131 Ca 0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 3e1g h PHE 131 Cb 0.42 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3e1g h PHE 131 CO -0.21 0.02 0.00 -0.07 -2.23 0.00 0.00 178.31 175.82 3e1g h LEU 132 N 0.22 0.94 -0.12 0.59 3.38 -1.19 0.17 115.31 119.31 3e1g h LEU 132 Ca 0.21 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3e1g h LEU 132 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3e1g h LEU 132 CO -0.27 1.02 0.08 0.50 0.09 0.00 0.00 178.44 179.86 3e1g h LYS 133 N 0.84 0.16 -0.24 1.13 1.63 -0.94 0.20 116.57 119.35 3e1g h LYS 133 Ca 0.15 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 3e1g h LYS 133 Cb 0.53 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.06 3e1g h LYS 133 CO 0.03 0.11 -0.30 -0.92 -3.45 0.00 0.00 179.45 174.92 3e1g h TYR 134 N 0.16 -0.83 -0.96 1.91 3.20 -0.73 -1.15 116.97 118.56 3e1g h TYR 134 Ca 0.04 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3e1g h TYR 134 Cb -0.01 0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 3e1g h TYR 134 CO -0.07 -0.37 0.63 0.00 -1.64 0.00 0.00 178.16 176.71 3e1g h ALA 135 N 0.62 1.38 -0.23 1.82 0.00 -0.27 -0.74 119.26 121.84 3e1g h ALA 135 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3e1g h ALA 135 Cb 0.52 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3e1g h ALA 135 CO -0.42 0.52 0.11 1.49 0.00 0.00 0.00 179.25 180.95 3e1g h GLU 136 N 1.21 0.34 -0.70 0.00 4.81 -0.43 -0.18 114.58 119.63 3e1g h GLU 136 Ca 0.39 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3e1g h GLU 136 Cb 0.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3e1g h GLU 136 CO -0.12 0.34 0.35 1.88 -0.73 0.00 0.00 179.01 180.73 3e1g h TYR 137 N 0.25 1.00 -0.43 0.92 0.99 -0.57 -1.72 116.97 117.40 3e1g h TYR 137 Ca 0.08 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.69 3e1g h TYR 137 Cb 0.12 -0.31 -0.01 0.00 1.00 0.00 0.00 36.73 37.52 3e1g h TYR 137 CO -0.02 0.73 -0.04 0.52 -0.00 0.00 0.00 178.16 179.35 3e1g h MET 138 N 0.97 0.79 -0.52 4.88 2.86 -0.82 -2.05 114.93 121.05 3e1g h MET 138 Ca 0.24 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3e1g h MET 138 Cb 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3e1g h MET 138 CO -0.03 0.88 -0.03 -0.91 1.06 0.00 0.00 176.91 177.88 3e1g h ASN 139 N 0.63 0.92 -0.94 1.22 2.35 -0.99 -1.46 115.58 117.31 3e1g h ASN 139 Ca 0.12 -0.32 0.08 0.00 -0.55 0.00 0.00 56.30 55.63 3e1g h ASN 139 Cb 0.55 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 3e1g h ASN 139 CO 0.03 1.02 0.60 0.03 -1.65 0.00 0.00 177.43 177.46 3e1g h ARG 140 N 0.80 1.00 -0.38 0.81 -0.00 -1.25 0.11 114.38 115.46 3e1g h ARG 140 Ca 0.14 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.98 59.45 3e1g h ARG 140 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 29.97 30.29 3e1g h ARG 140 CO 0.03 0.66 -0.21 1.25 0.00 0.00 0.00 179.97 181.70 3e1g h LEU 141 N 1.03 0.76 -0.67 3.04 6.46 -0.56 -2.73 115.31 122.64 3e1g h LEU 141 Ca 0.42 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 3e1g h LEU 141 Cb 0.27 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3e1g h LEU 141 CO -0.17 0.96 -0.59 0.00 -0.62 0.00 0.00 178.44 178.01 3e1g n ALA 142 N -2.50 3.83 -3.48 1.25 0.00 -0.64 -4.96 120.51 114.00 3e1g n ALA 142 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 3e1g n ALA 142 Cb 0.42 -0.83 0.07 0.00 0.00 0.00 0.00 19.45 19.12 3e1g n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1g n GLY 143 N 1.44 -0.40 3.70 0.00 0.00 0.32 -5.01 105.19 105.24 3e1g n GLY 143 Ca 0.08 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3e1g n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1g s LYS 144 N -6.14 2.91 0.25 1.61 -2.85 -0.80 -5.05 119.74 109.67 3e1g s LYS 144 Ca 0.50 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 3e1g s LYS 144 Cb -0.22 -2.75 -0.09 0.00 -2.06 0.00 0.00 37.83 32.70 3e1g s LYS 144 CO 0.66 0.66 1.22 -1.54 0.10 0.00 0.00 175.35 176.45 3e1g s SER 145 N -1.36 7.02 0.19 0.03 1.04 -1.26 -4.54 113.70 114.81 3e1g s SER 145 Ca 0.18 2.39 -0.06 0.00 0.48 0.00 0.00 55.95 58.94 3e1g s SER 145 Cb -0.12 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.33 3e1g s SER 145 CO 0.08 -0.38 -0.07 -0.67 0.98 0.00 0.00 173.24 173.18 3e1g n ASP 146 N 1.80 -1.31 -0.53 7.02 2.03 -1.26 -4.93 116.55 119.38 3e1g n ASP 146 Ca 0.02 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.54 3e1g n ASP 146 Cb 0.44 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 3e1g n ASP 146 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3e1g n GLU 147 N 0.54 0.01 0.02 -0.67 0.28 -1.26 -4.91 120.64 114.65 3e1g n GLU 147 Ca 0.02 -1.05 0.02 0.00 -0.16 0.00 0.00 57.16 55.99 3e1g n GLU 147 Cb 0.16 -0.49 0.36 0.00 1.43 0.00 0.00 31.44 32.90 3e1g n GLU 147 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3e1g h SER 148 N 0.04 0.43 -0.17 -1.84 0.02 -1.99 -1.85 113.55 108.19 3e1g h SER 148 Ca -0.01 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3e1g h SER 148 Cb 1.41 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 3e1g h SER 148 CO 0.00 0.45 -0.11 0.74 -1.14 0.00 0.00 176.83 176.78 3e1g h THR 149 N 0.46 1.32 0.00 -2.27 2.02 -1.99 -1.34 112.91 111.11 3e1g h THR 149 Ca 0.11 -1.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.00 3e1g h THR 149 Cb 0.21 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3e1g h THR 149 CO -0.00 0.35 -0.45 1.56 0.37 0.00 0.00 175.52 177.35 3e1g h GLN 150 N 0.04 0.00 -0.46 6.66 1.08 -1.82 -2.90 115.11 117.72 3e1g h GLN 150 Ca 0.04 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 3e1g h GLN 150 Cb 0.60 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 3e1g h GLN 150 CO 0.03 0.45 -0.05 0.82 -0.95 0.00 0.00 178.83 179.13 3e1g h ILE 151 N 0.00 1.25 0.00 2.54 2.04 -1.02 -2.77 117.51 119.55 3e1g h ILE 151 Ca -0.00 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3e1g h ILE 151 Cb 0.96 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3e1g h ILE 151 CO 0.06 0.37 0.00 0.18 0.00 0.00 0.00 178.15 178.76 3e1g n LEU 152 N -4.19 0.27 0.17 1.44 4.77 -0.54 -0.34 117.00 118.58 3e1g n LEU 152 Ca 0.02 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.57 3e1g n LEU 152 Cb 0.33 -0.44 0.18 0.00 -2.33 0.00 0.00 43.42 41.16 3e1g n LEU 152 CO 0.42 -0.07 0.59 0.00 -1.33 0.00 0.00 177.39 177.00 3e1g h ALA 153 N 2.83 0.82 0.00 -1.18 0.00 -1.35 -3.39 119.26 117.00 3e1g h ALA 153 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 3e1g h ALA 153 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3e1g h ALA 153 CO 0.00 0.52 -1.83 0.66 0.00 0.00 0.00 179.25 178.60 3e1g n TYR 154 N -3.33 0.00 0.07 0.00 4.01 -0.46 -4.73 117.16 112.73 3e1g n TYR 154 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3e1g n TYR 154 Cb 0.62 -0.58 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 3e1g n TYR 154 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3e1g h LEU 155 N 0.00 -0.14 -0.67 7.72 5.85 -0.87 -0.58 115.31 126.63 3e1g h LEU 155 Ca -0.33 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.53 3e1g h LEU 155 Cb 1.62 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.60 3e1g h LEU 155 CO -0.02 -0.08 0.21 -0.65 -0.34 0.00 0.00 178.44 177.55 3e1g h PRO 156 N -0.13 0.33 -0.39 5.25 0.11 -1.83 0.17 132.00 135.52 3e1g h PRO 156 Ca -0.00 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.14 3e1g h PRO 156 Cb 0.12 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.10 3e1g h PRO 156 CO -0.01 0.22 0.11 0.78 -0.21 0.00 0.00 178.00 178.89 3e1g h GLY 157 N 0.34 0.48 1.85 -0.55 0.00 -1.68 -1.00 103.07 102.51 3e1g h GLY 157 Ca 0.36 -0.05 -0.22 0.00 0.00 0.00 0.00 47.33 47.42 3e1g h GLY 157 CO -0.40 -0.01 -1.01 -1.61 0.00 0.00 0.00 176.54 173.51 3e1g h GLN 158 N 0.25 0.12 -0.52 4.80 4.15 0.50 -1.49 115.11 122.92 3e1g h GLN 158 Ca 0.19 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 3e1g h GLN 158 Cb 0.20 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 3e1g h GLN 158 CO -0.22 1.03 0.06 -0.07 -1.93 0.00 0.00 178.83 177.69 3e1g h LEU 159 N 0.05 0.79 -0.35 -2.39 3.38 -0.72 -1.26 115.31 114.80 3e1g h LEU 159 Ca -0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3e1g h LEU 159 Cb 1.72 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 3e1g h LEU 159 CO 0.15 0.82 0.12 0.00 0.09 0.00 0.00 178.44 179.61 3e1g h ALA 160 N 1.28 0.46 -0.78 1.53 0.00 -0.83 -1.50 119.26 119.42 3e1g h ALA 160 Ca 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3e1g h ALA 160 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3e1g h ALA 160 CO 0.01 0.09 0.32 0.00 0.00 0.00 0.00 179.25 179.67 3e1g h ALA 161 N 0.96 1.09 -0.27 0.00 0.00 -1.00 -0.09 119.26 119.96 3e1g h ALA 161 Ca 0.11 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3e1g h ALA 161 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3e1g h ALA 161 CO -0.00 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.77 3e1g h ILE 162 N 1.13 0.88 -0.49 0.00 2.04 -0.97 -0.83 117.51 119.27 3e1g h ILE 162 Ca 0.26 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 66.02 3e1g h ILE 162 Cb 0.20 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3e1g h ILE 162 CO -0.02 0.03 0.10 0.44 0.00 0.00 0.00 178.15 178.70 3e1g h ASP 163 N 0.15 0.75 -0.05 1.72 3.32 -0.70 0.36 116.42 121.98 3e1g h ASP 163 Ca 0.12 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.95 3e1g h ASP 163 Cb 0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3e1g h ASP 163 CO -0.16 0.80 -0.06 -0.61 -1.72 0.00 0.00 179.24 177.49 3e1g h GLN 164 N 0.67 -0.08 -0.74 3.56 4.15 -0.93 0.17 115.11 121.91 3e1g h GLN 164 Ca 0.15 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.67 3e1g h GLN 164 Cb 0.35 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 3e1g h GLN 164 CO 0.00 -0.05 0.38 0.35 -1.93 0.00 0.00 178.83 177.58 3e1g h PHE 165 N -0.08 0.68 -0.86 3.99 3.57 -0.63 -2.64 116.94 120.96 3e1g h PHE 165 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3e1g h PHE 165 Cb 0.14 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3e1g h PHE 165 CO -0.15 0.24 0.51 0.00 -2.23 0.00 0.00 178.31 176.68 3e1g h ALA 166 N 1.44 1.28 -0.06 2.41 0.00 0.15 -2.64 119.26 121.85 3e1g h ALA 166 Ca 0.37 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3e1g h ALA 166 Cb 0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3e1g h ALA 166 CO -0.27 0.61 -0.53 1.79 0.00 0.00 0.00 179.25 180.85 3e1g h THR 167 N 1.19 1.37 -0.57 0.00 1.35 -0.38 0.23 112.91 116.10 3e1g h THR 167 Ca 0.31 -1.82 -0.08 0.00 -0.55 0.00 0.00 66.41 64.27 3e1g h THR 167 Cb -0.04 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3e1g h THR 167 CO -0.06 0.53 0.06 0.74 -0.25 0.00 0.00 175.52 176.54 3e1g h THR 168 N 0.12 1.26 -0.65 6.82 2.02 -1.45 0.18 112.91 121.20 3e1g h THR 168 Ca 0.00 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 3e1g h THR 168 Cb 0.98 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3e1g h THR 168 CO 0.08 0.37 0.15 0.58 0.37 0.00 0.00 175.52 177.07 3e1g h VAL 169 N 0.85 1.26 -0.70 3.16 2.07 -0.97 -1.89 116.25 120.03 3e1g h VAL 169 Ca 0.17 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3e1g h VAL 169 Cb 0.47 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3e1g h VAL 169 CO 0.02 0.36 0.27 0.00 0.02 0.00 0.00 177.57 178.23 3e1g h ALA 170 N 1.06 1.15 0.00 1.67 0.00 0.04 -1.98 119.26 121.20 3e1g h ALA 170 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3e1g h ALA 170 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3e1g h ALA 170 CO 0.00 0.61 -0.38 0.00 0.00 0.00 0.00 179.25 179.48 3e1g h ALA 171 N 1.27 1.28 -0.65 0.00 0.00 0.09 -2.82 119.26 118.43 3e1g h ALA 171 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3e1g h ALA 171 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3e1g h ALA 171 CO -0.02 0.47 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 3e1g n ASP 172 N -3.95 3.54 0.31 0.00 8.00 -0.77 -4.45 116.55 119.24 3e1g n ASP 172 Ca -0.02 -2.02 0.19 0.00 0.71 0.00 0.00 54.79 53.65 3e1g n ASP 172 Cb 0.43 -0.44 1.05 0.00 -0.02 0.00 0.00 41.12 42.14 3e1g n ASP 172 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3e1g h LEU 173 N 3.81 0.00 -2.10 0.64 3.38 -1.22 -0.48 115.31 119.35 3e1g h LEU 173 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3e1g h LEU 173 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 3e1g h LEU 173 CO 0.01 0.00 -0.06 -0.55 0.09 0.00 0.00 178.44 177.93 3e1g h ASN 174 N 0.00 0.00 0.66 -0.43 7.08 -1.78 -2.38 115.58 118.73 3e1g h ASN 174 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3e1g h ASN 174 Cb 0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 3e1g h ASN 174 CO -0.00 0.06 -0.05 0.18 -2.08 0.00 0.00 177.43 175.54 3e1g n LEU 175 N -3.36 0.11 -4.67 6.14 4.77 -0.19 -4.48 117.00 115.32 3e1g n LEU 175 Ca -0.02 0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 3e1g n LEU 175 Cb 0.21 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3e1g n LEU 175 CO 0.27 0.02 0.81 -0.69 -1.33 0.00 0.00 177.39 176.47 3e1g s VAL 176 N -2.71 4.75 -0.02 4.08 1.01 -0.90 -4.74 120.40 121.88 3e1g s VAL 176 Ca 0.23 1.92 0.10 0.00 0.00 0.00 0.00 61.98 64.23 3e1g s VAL 176 Cb 0.20 -4.26 -0.15 0.00 0.00 0.00 0.00 36.38 32.17 3e1g s VAL 176 CO 0.50 -0.09 0.21 0.29 0.00 0.00 0.00 175.10 176.01 3e1g n LYS 177 N 5.78 0.37 -1.82 2.72 4.01 -1.26 -1.46 118.16 126.50 3e1g n LYS 177 Ca 0.09 -0.09 -0.34 0.00 -0.51 0.00 0.00 58.31 57.47 3e1g n LYS 177 Cb 0.47 -1.22 0.04 0.00 -0.51 0.00 0.00 35.03 33.81 3e1g n LYS 177 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3e1g s GLN 178 N -2.65 2.83 0.11 1.97 1.11 -1.26 -0.74 119.66 121.04 3e1g s GLN 178 Ca -0.03 1.49 -0.34 0.00 0.01 0.00 0.00 55.36 56.49 3e1g s GLN 178 Cb 0.06 -1.95 -0.13 0.00 -1.01 0.00 0.00 33.01 29.98 3e1g s GLN 178 CO 0.40 -1.24 1.65 -2.30 0.01 0.00 0.00 175.29 173.80 3e1g n PRO 179 N -2.22 2.20 -4.84 2.91 -0.02 -1.26 -3.19 135.00 128.57 3e1g n PRO 179 Ca 0.11 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 62.08 3e1g n PRO 179 Cb 0.51 -2.59 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 3e1g n PRO 179 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3e1g s THR 180 N 1.57 1.78 -0.11 3.45 2.01 -0.33 -2.65 115.64 121.37 3e1g s THR 180 Ca 0.81 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 3e1g s THR 180 Cb -0.67 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3e1g s THR 180 CO 0.40 0.50 0.44 0.12 -0.69 0.00 0.00 174.62 175.39 3e1g s PHE 181 N 0.62 3.53 -0.21 4.92 5.36 0.33 -0.39 117.98 132.14 3e1g s PHE 181 Ca -0.13 0.86 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 3e1g s PHE 181 Cb -0.16 -2.50 0.05 0.00 -0.34 0.00 0.00 43.02 40.07 3e1g s PHE 181 CO 0.04 0.23 -0.10 0.42 -1.46 0.00 0.00 175.22 174.34 3e1g s ILE 182 N 0.42 1.71 -0.10 3.12 1.01 0.45 -1.12 121.20 126.69 3e1g s ILE 182 Ca 0.24 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 3e1g s ILE 182 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3e1g s ILE 182 CO 0.10 0.12 -0.06 -0.83 0.00 0.00 0.00 174.94 174.27 3e1g s GLY 183 N 1.36 1.69 -0.01 6.18 0.00 -0.47 0.20 107.32 116.26 3e1g s GLY 183 Ca -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3e1g s GLY 183 CO -0.08 -0.41 -0.03 1.62 0.00 0.00 0.00 173.10 174.20 3e1g s GLN 184 N -0.31 0.36 0.22 2.90 2.00 -0.68 -0.40 119.66 123.76 3e1g s GLN 184 Ca 0.04 -0.07 -0.30 0.00 -2.00 0.00 0.00 55.36 53.04 3e1g s GLN 184 Cb -0.13 -0.41 -0.09 0.00 0.80 0.00 0.00 33.01 33.19 3e1g s GLN 184 CO 0.02 0.00 1.13 0.00 -0.50 0.00 0.00 175.29 175.95 3e1g s ALA 185 N 0.34 3.41 -0.71 1.58 0.00 -1.26 -1.11 121.76 124.01 3e1g s ALA 185 Ca -0.03 0.90 0.24 0.00 0.00 0.00 0.00 51.96 53.06 3e1g s ALA 185 Cb -0.06 -3.36 0.34 0.00 0.00 0.00 0.00 23.12 20.03 3e1g s ALA 185 CO -0.01 -0.25 1.30 0.41 0.00 0.00 0.00 175.76 177.22 3e1g n GLY 186 N 1.74 -1.35 2.35 0.00 0.00 0.13 -3.49 105.19 104.57 3e1g n GLY 186 Ca 0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3e1g n GLY 186 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3e1g n GLN 187 N -1.97 3.16 -2.05 1.61 1.13 -0.36 -4.84 117.38 114.06 3e1g n GLN 187 Ca 0.04 -4.19 -0.42 0.00 -1.94 0.00 0.00 57.00 50.48 3e1g n GLN 187 Cb 0.42 -2.12 -0.03 0.00 0.11 0.00 0.00 30.24 28.62 3e1g n GLN 187 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3e1g s ASP 188 N -3.54 6.70 0.00 1.08 -1.08 -1.23 -4.27 116.67 114.33 3e1g s ASP 188 Ca 0.46 2.20 0.21 0.00 -0.52 0.00 0.00 52.55 54.90 3e1g s ASP 188 Cb 0.40 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.85 3e1g s ASP 188 CO -0.07 -0.90 1.44 -1.84 0.52 0.00 0.00 175.17 174.33 3e1g n GLU 189 N 6.87 2.30 0.00 4.34 0.00 -1.26 -4.45 120.64 128.44 3e1g n GLU 189 Ca 0.17 -1.97 0.00 0.00 0.00 0.00 0.00 57.16 55.36 3e1g n GLU 189 Cb 0.43 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.39 3e1g n GLU 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3e1g n LEU 190 N 1.16 1.41 -4.58 -1.84 4.77 -1.26 -4.58 117.00 112.08 3e1g n LEU 190 Ca 0.19 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.90 3e1g n LEU 190 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3e1g n LEU 190 CO 0.15 0.19 -0.34 0.68 -1.33 0.00 0.00 177.39 176.74 3e1g s VAL 191 N -1.87 2.21 -0.67 4.08 -7.23 -1.26 0.40 120.40 116.07 3e1g s VAL 191 Ca 0.00 -2.11 -0.23 0.00 -1.81 0.00 0.00 61.98 57.83 3e1g s VAL 191 Cb 0.00 -2.77 0.07 0.00 0.56 0.00 0.00 36.38 34.24 3e1g s VAL 191 CO 0.00 -0.14 0.98 -0.62 -0.31 0.00 0.00 175.10 175.01 3e1g s ASP 192 N -3.66 6.18 0.38 4.85 -1.08 -1.19 -4.78 116.67 117.37 3e1g s ASP 192 Ca 0.34 -0.99 0.07 0.00 -0.52 0.00 0.00 52.55 51.45 3e1g s ASP 192 Cb 0.04 -2.42 0.80 0.00 -1.46 0.00 0.00 42.92 39.88 3e1g s ASP 192 CO 0.17 -1.45 2.00 1.23 0.52 0.00 0.00 175.17 177.64 3e1g h GLY 193 N 11.40 0.79 -0.84 2.66 0.00 -1.87 -1.76 103.07 113.46 3e1g h GLY 193 Ca -0.28 -0.27 0.18 0.00 0.00 0.00 0.00 47.33 46.96 3e1g h GLY 193 CO 1.19 0.22 -0.17 0.54 0.00 0.00 0.00 176.54 178.32 3e1g n ARG 194 N -4.47 -0.07 0.03 4.80 1.74 -1.26 -1.14 116.66 116.28 3e1g n ARG 194 Ca 0.08 1.30 0.06 0.00 -0.77 0.00 0.00 57.85 58.51 3e1g n ARG 194 Cb 0.17 -1.96 0.26 0.00 -1.02 0.00 0.00 32.46 29.91 3e1g n ARG 194 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3e1g n LEU 195 N -5.34 0.13 0.23 0.55 4.32 -0.66 -2.23 117.00 114.00 3e1g n LEU 195 Ca 0.15 0.54 0.07 0.00 -0.02 0.00 0.00 56.01 56.75 3e1g n LEU 195 Cb 0.46 -0.54 0.53 0.00 -1.62 0.00 0.00 43.42 42.26 3e1g n LEU 195 CO -0.09 -0.42 0.87 0.00 -1.22 0.00 0.00 177.39 176.53 3e1g h ALA 196 N 2.27 1.47 0.00 -1.18 0.00 -1.32 -1.70 119.26 118.81 3e1g h ALA 196 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3e1g h ALA 196 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3e1g h ALA 196 CO 0.00 0.27 -0.58 1.88 0.00 0.00 0.00 179.25 180.82 3e1g h TYR 197 N 0.00 0.00 0.07 0.00 0.05 -1.63 0.06 116.97 115.52 3e1g h TYR 197 Ca -0.00 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.53 3e1g h TYR 197 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 3e1g h TYR 197 CO 0.00 0.58 -1.13 1.96 -1.05 0.00 0.00 178.16 178.51 3e1g h GLN 198 N 0.00 0.15 -0.36 4.88 4.20 -1.59 -2.35 115.11 120.04 3e1g h GLN 198 Ca -0.01 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.47 3e1g h GLN 198 Cb 1.03 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 3e1g h GLN 198 CO 0.08 1.12 0.19 1.25 -0.67 0.00 0.00 178.83 180.79 3e1g h LEU 199 N 0.04 0.29 -0.63 1.46 5.85 -0.97 -1.52 115.31 119.83 3e1g h LEU 199 Ca -0.08 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.79 3e1g h LEU 199 Cb 1.88 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.75 3e1g h LEU 199 CO 0.17 0.21 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.33 3e1g h ARG 200 N 0.39 0.06 0.00 1.25 2.43 -0.93 -2.61 114.38 114.97 3e1g h ARG 200 Ca 0.15 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 3e1g h ARG 200 Cb 0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3e1g h ARG 200 CO -0.09 0.04 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.57 3e1g h ASP 201 N 0.06 0.00 1.47 -3.80 3.32 -1.00 -3.12 116.42 113.35 3e1g h ASP 201 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3e1g h ASP 201 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3e1g h ASP 201 CO -0.59 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.29 3e1g h ALA 202 N 1.64 1.00 -0.46 3.45 0.00 -0.89 -3.37 119.26 120.63 3e1g h ALA 202 Ca -0.01 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.18 3e1g h ALA 202 Cb 1.28 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 3e1g h ALA 202 CO 0.05 0.00 2.82 1.28 0.00 0.00 0.00 179.25 183.39 3e1g n LEU 203 N -2.69 8.00 0.23 0.00 4.77 -1.16 -4.27 117.00 121.87 3e1g n LEU 203 Ca 0.04 -4.67 0.14 0.00 -0.03 0.00 0.00 56.01 51.49 3e1g n LEU 203 Cb 0.41 -1.45 0.44 0.00 -2.33 0.00 0.00 43.42 40.50 3e1g n LEU 203 CO 0.29 1.92 0.90 0.16 -1.33 0.00 0.00 177.39 179.33 3e1g h ILE 204 N 2.95 0.00 -0.04 -0.08 3.07 -1.81 -3.09 117.51 118.52 3e1g h ILE 204 Ca 0.70 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 66.44 3e1g h ILE 204 Cb 0.36 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 3e1g h ILE 204 CO 1.61 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 179.30 3e1g n ASN 205 N -2.95 2.08 -4.77 2.16 3.02 -1.26 -5.01 115.26 108.53 3e1g n ASN 205 Ca 0.02 -1.54 -0.36 0.00 -0.03 0.00 0.00 54.58 52.67 3e1g n ASN 205 Cb 0.40 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 3e1g n ASN 205 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3e1g s ALA 206 N -1.02 2.81 0.11 5.41 0.00 -0.53 -4.17 121.76 124.37 3e1g s ALA 206 Ca 0.15 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 3e1g s ALA 206 Cb 0.10 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3e1g s ALA 206 CO 0.15 -0.81 1.51 0.00 0.00 0.00 0.00 175.76 176.62 3e1g h ALA 207 N 1.56 0.50 -2.57 0.00 0.00 -0.89 -3.43 119.26 114.42 3e1g h ALA 207 Ca -0.50 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.00 3e1g h ALA 207 Cb 1.26 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 3e1g h ALA 207 CO 0.58 0.36 -0.35 -0.98 0.00 0.00 0.00 179.25 178.86 3e1g s ARG 208 N -4.76 1.01 -0.22 0.00 3.03 -1.26 -4.95 118.95 111.80 3e1g s ARG 208 Ca -0.13 -1.08 0.02 0.00 2.03 0.00 0.00 55.73 56.57 3e1g s ARG 208 Cb 0.09 0.36 0.04 0.00 -1.03 0.00 0.00 34.95 34.42 3e1g s ARG 208 CO 0.81 -0.35 -0.14 0.08 -1.13 0.00 0.00 175.30 174.56 3e1g s VAL 209 N -3.92 2.07 -0.46 4.99 1.01 -1.26 -1.18 120.40 121.65 3e1g s VAL 209 Ca 0.12 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 3e1g s VAL 209 Cb 0.04 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.42 3e1g s VAL 209 CO -0.05 0.22 0.42 -0.62 0.00 0.00 0.00 175.10 175.06 3e1g s ASP 210 N 1.21 6.16 -0.16 3.32 2.15 0.47 -4.97 116.67 124.84 3e1g s ASP 210 Ca -0.03 -1.08 -0.02 0.00 0.43 0.00 0.00 52.55 51.86 3e1g s ASP 210 Cb -0.17 -2.20 -0.02 0.00 -0.30 0.00 0.00 42.92 40.23 3e1g s ASP 210 CO -0.08 -0.63 -0.08 0.12 -0.17 0.00 0.00 175.17 174.32 3e1g s PHE 211 N 1.87 2.91 0.02 -5.34 5.36 -1.26 -0.41 117.98 121.13 3e1g s PHE 211 Ca 0.07 -0.63 0.03 0.00 -0.96 0.00 0.00 56.93 55.44 3e1g s PHE 211 Cb -0.21 -1.95 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 3e1g s PHE 211 CO 0.09 -0.26 -0.09 -1.01 -1.46 0.00 0.00 175.22 172.50 3e1g s HIS 212 N 0.68 0.77 -0.10 10.12 3.76 0.13 -4.98 115.29 125.67 3e1g s HIS 212 Ca -0.04 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3e1g s HIS 212 Cb -0.15 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.09 3e1g s HIS 212 CO 0.02 -0.02 -0.11 -0.46 -0.85 0.00 0.00 174.74 173.32 3e1g s TRP 213 N -0.65 1.63 -0.48 1.40 -0.11 -1.26 -1.68 118.94 117.78 3e1g s TRP 213 Ca -0.01 -0.74 -0.08 0.00 1.22 0.00 0.00 56.10 56.50 3e1g s TRP 213 Cb -0.06 -1.24 0.12 0.00 -1.50 0.00 0.00 33.47 30.80 3e1g s TRP 213 CO 0.00 -0.43 0.34 0.71 -4.62 0.00 0.00 176.95 172.96 3e1g s TYR 214 N 1.14 3.46 0.13 5.86 2.02 -0.26 -4.96 117.35 124.73 3e1g s TYR 214 Ca -0.05 -2.02 -0.20 0.00 -0.37 0.00 0.00 57.07 54.43 3e1g s TYR 214 Cb -0.14 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 3e1g s TYR 214 CO -0.02 -0.98 1.73 -0.44 -1.57 0.00 0.00 175.55 174.27 3e1g h ASP 215 N 8.27 -0.01 -0.45 2.29 3.32 -1.93 0.37 116.42 128.29 3e1g h ASP 215 Ca -0.17 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3e1g h ASP 215 Cb 1.06 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3e1g h ASP 215 CO 0.82 0.02 0.00 -0.90 -1.72 0.00 0.00 179.24 177.47 3e1g n ASP 216 N -5.10 3.30 -4.83 6.45 5.68 -1.26 -3.81 116.55 116.98 3e1g n ASP 216 Ca -0.02 -1.95 -0.37 0.00 -0.50 0.00 0.00 54.79 51.95 3e1g n ASP 216 Cb 0.09 -0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 39.72 3e1g n ASP 216 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3e1g s ALA 217 N -1.12 3.58 1.03 2.12 0.00 -1.12 -4.69 121.76 121.56 3e1g s ALA 217 Ca 0.34 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 3e1g s ALA 217 Cb 0.19 -2.57 0.14 0.00 0.00 0.00 0.00 23.12 20.88 3e1g s ALA 217 CO 0.25 0.43 0.76 1.63 0.00 0.00 0.00 175.76 178.83 3e1g n LYS 218 N 1.21 -1.04 0.20 0.00 4.76 -1.26 -1.23 118.16 120.81 3e1g n LYS 218 Ca -0.08 -1.18 -0.15 0.00 -2.87 0.00 0.00 58.31 54.04 3e1g n LYS 218 Cb 0.51 -0.83 -0.07 0.00 -1.84 0.00 0.00 35.03 32.80 3e1g n LYS 218 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3e1g h HIS 219 N -1.59 -0.73 -0.48 2.13 6.17 -1.92 -3.35 115.15 115.37 3e1g h HIS 219 Ca -0.25 0.00 -0.68 0.00 0.71 0.00 0.00 60.37 60.15 3e1g h HIS 219 Cb 0.70 0.28 -0.06 0.00 2.52 0.00 0.00 27.41 30.86 3e1g h HIS 219 CO 0.00 -0.41 2.54 0.28 0.71 0.00 0.00 177.93 181.06 3e1g n VAL 220 N -5.40 3.61 1.03 5.26 0.31 -1.26 -4.71 118.33 117.18 3e1g n VAL 220 Ca -0.09 -3.52 0.11 0.00 -0.01 0.00 0.00 64.34 60.83 3e1g n VAL 220 Cb 0.30 -2.45 0.56 0.00 -0.91 0.00 0.00 33.84 31.35 3e1g n VAL 220 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3e1g n ILE 221 N 5.92 0.30 0.59 2.52 -5.35 -1.26 -1.20 119.36 120.89 3e1g n ILE 221 Ca 0.50 0.08 0.13 0.00 -0.27 0.00 0.00 62.75 63.19 3e1g n ILE 221 Cb 0.43 -0.69 0.42 0.00 -1.74 0.00 0.00 39.64 38.06 3e1g n ILE 221 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3e1g n THR 222 N -1.33 0.63 0.00 7.28 -2.24 -1.26 -2.83 114.28 114.53 3e1g n THR 222 Ca 0.10 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3e1g n THR 222 Cb 0.20 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 3e1g n THR 222 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3e1g n VAL 223 N -2.25 0.00 -1.13 2.28 0.31 -0.34 -4.49 118.33 112.71 3e1g n VAL 223 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3e1g n VAL 223 Cb 0.39 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3e1g n VAL 223 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3e1g n ASN 224 N -2.03 0.00 0.20 4.52 0.23 -0.77 -4.82 115.26 112.59 3e1g n ASN 224 Ca 0.00 -0.44 0.14 0.00 -0.53 0.00 0.00 54.58 53.75 3e1g n ASN 224 Cb 0.42 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.78 3e1g n ASN 224 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3e1g h SER 225 N 0.00 0.00 1.16 0.53 4.64 -1.89 -1.94 113.55 116.04 3e1g h SER 225 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3e1g h SER 225 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3e1g h SER 225 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3e1g n ALA 226 N -1.87 2.00 0.22 5.18 0.00 -1.26 -4.30 120.51 120.48 3e1g n ALA 226 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.56 3e1g n ALA 226 Cb 0.16 -1.44 0.51 0.00 0.00 0.00 0.00 19.45 18.68 3e1g n ALA 226 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3e1g h HIS 227 N 0.00 0.00 -0.26 0.00 2.07 -1.19 0.38 115.15 116.15 3e1g h HIS 227 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 3e1g h HIS 227 Cb 0.58 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.56 3e1g h HIS 227 CO 0.00 0.25 -0.39 0.45 -3.07 0.00 0.00 177.93 175.17 3e1g h HIS 228 N 0.00 0.90 -0.29 6.12 3.86 -1.83 0.24 115.15 124.15 3e1g h HIS 228 Ca -0.00 -0.30 -0.06 0.00 -1.16 0.00 0.00 60.37 58.85 3e1g h HIS 228 Cb 0.62 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 3e1g h HIS 228 CO 0.00 1.08 -0.04 0.00 0.86 0.00 0.00 177.93 179.83 3e1g h ALA 229 N 0.66 0.40 -0.57 2.45 0.00 -1.60 -1.88 119.26 118.73 3e1g h ALA 229 Ca 0.02 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3e1g h ALA 229 Cb 0.99 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3e1g h ALA 229 CO 0.09 0.19 0.30 1.25 0.00 0.00 0.00 179.25 181.07 3e1g h LEU 230 N 0.32 0.43 -0.46 0.00 5.85 -0.76 -0.93 115.31 119.76 3e1g h LEU 230 Ca 0.08 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3e1g h LEU 230 Cb 0.50 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3e1g h LEU 230 CO 0.02 0.29 0.30 -0.33 -0.34 0.00 0.00 178.44 178.38 3e1g h GLU 231 N 0.56 0.60 -0.32 1.25 5.08 -0.63 -0.31 114.58 120.82 3e1g h GLU 231 Ca 0.25 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3e1g h GLU 231 Cb 0.15 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3e1g h GLU 231 CO -0.17 0.40 0.15 0.93 -1.00 0.00 0.00 179.01 179.32 3e1g h GLU 232 N 0.62 0.30 -0.39 2.33 5.08 -1.04 -1.67 114.58 119.81 3e1g h GLU 232 Ca 0.17 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3e1g h GLU 232 Cb -0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3e1g h GLU 232 CO -0.04 0.20 0.04 -0.44 -1.00 0.00 0.00 179.01 177.77 3e1g h ASP 233 N 0.31 0.63 -0.56 1.42 3.32 -0.90 -0.46 116.42 120.18 3e1g h ASP 233 Ca 0.13 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 3e1g h ASP 233 Cb 0.06 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3e1g h ASP 233 CO -0.10 0.75 0.16 0.58 -1.72 0.00 0.00 179.24 178.91 3e1g h VAL 234 N 0.49 1.23 0.02 -1.35 2.07 -0.87 0.03 116.25 117.87 3e1g h VAL 234 Ca 0.11 -0.83 -0.24 0.00 0.82 0.00 0.00 66.70 66.56 3e1g h VAL 234 Cb 0.40 0.60 0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3e1g h VAL 234 CO 0.01 0.32 -0.95 0.40 0.02 0.00 0.00 177.57 177.37 3e1g h ILE 235 N 0.88 1.32 -0.94 4.57 2.04 -1.19 -0.27 117.51 123.92 3e1g h ILE 235 Ca 0.19 -2.23 0.04 0.00 1.00 0.00 0.00 64.86 63.86 3e1g h ILE 235 Cb 0.29 2.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 3e1g h ILE 235 CO -0.00 0.68 0.62 0.00 0.00 0.00 0.00 178.15 179.44 3e1g h ALA 236 N 0.36 1.41 -0.25 1.87 0.00 -1.06 0.35 119.26 121.94 3e1g h ALA 236 Ca -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3e1g h ALA 236 Cb 1.62 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3e1g h ALA 236 CO 0.19 0.49 0.12 0.35 0.00 0.00 0.00 179.25 180.39 3e1g h PHE 237 N 1.17 0.22 -0.51 0.00 3.57 -0.47 -1.45 116.94 119.46 3e1g h PHE 237 Ca 0.38 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.77 3e1g h PHE 237 Cb 0.04 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3e1g h PHE 237 CO -0.00 0.12 -0.16 0.52 -2.23 0.00 0.00 178.31 176.56 3e1g h MET 238 N 0.25 1.01 -0.72 1.11 2.86 -0.06 -3.09 114.93 116.30 3e1g h MET 238 Ca 0.10 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 3e1g h MET 238 Cb 0.04 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3e1g h MET 238 CO -0.08 1.09 0.31 1.96 1.06 0.00 0.00 176.91 181.25 3e1g h GLN 239 N 0.88 1.05 0.00 1.72 7.50 -0.77 -2.13 115.11 123.36 3e1g h GLN 239 Ca 0.13 -0.17 0.00 0.00 0.50 0.00 0.00 58.65 59.11 3e1g h GLN 239 Cb 0.73 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.08 3e1g h GLN 239 CO 0.06 0.84 0.00 0.37 -1.50 0.00 0.00 178.83 178.60 3e1g h GLN 240 N 1.03 0.00 0.00 1.46 5.75 -1.19 -3.51 115.11 118.65 3e1g h GLN 240 Ca 0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3e1g h GLN 240 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3e1g h GLN 240 CO -0.02 0.00 0.00 0.39 -2.65 0.00 0.00 178.83 176.55