#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5i n GLY 2 N -0.40 0.71 3.95 0.00 0.00 -0.93 -4.72 105.19 103.80 1a5i n GLY 2 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1a5i n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5i s LEU 3 N 0.00 4.29 -0.22 0.99 1.43 -1.23 -1.36 118.68 122.58 1a5i s LEU 3 Ca 0.00 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 1a5i s LEU 3 Cb 0.00 -2.98 0.14 0.00 0.03 0.00 0.00 46.19 43.39 1a5i s LEU 3 CO 0.00 -0.02 1.10 0.00 0.23 0.00 0.00 176.35 177.66 1a5i s ARG 4 N -3.53 0.44 -1.01 1.70 1.70 -1.26 -4.89 118.95 112.10 1a5i s ARG 4 Ca 0.36 0.21 -0.14 0.00 -0.47 0.00 0.00 55.73 55.68 1a5i s ARG 4 Cb -0.10 0.21 0.19 0.00 -0.57 0.00 0.00 34.95 34.68 1a5i s ARG 4 CO 0.29 -0.12 1.11 0.15 -1.08 0.00 0.00 175.30 175.66 1a5i s LYS 5 N -0.73 3.85 0.13 3.89 1.02 -1.25 -5.01 119.74 121.65 1a5i s LYS 5 Ca 0.02 -2.45 -0.31 0.00 0.02 0.00 0.00 55.97 53.25 1a5i s LYS 5 Cb -0.02 -4.76 -0.10 0.00 -0.52 0.00 0.00 37.83 32.43 1a5i s LYS 5 CO -0.03 -1.54 1.67 -0.47 -0.92 0.00 0.00 175.35 174.06 1a5i s TYR 6 N 0.95 2.66 0.09 3.18 5.04 -1.26 -4.32 117.35 123.70 1a5i s TYR 6 Ca 0.31 0.36 0.08 0.00 -2.44 0.00 0.00 57.07 55.38 1a5i s TYR 6 Cb -0.07 -4.02 -0.04 0.00 0.35 0.00 0.00 41.96 38.19 1a5i s TYR 6 CO -0.07 -3.97 -0.17 0.15 -1.34 0.00 0.00 175.55 170.16 1a5i s LYS 7 N 1.93 1.93 -0.18 4.97 1.02 -1.26 -5.04 119.74 123.11 1a5i s LYS 7 Ca 0.74 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 1a5i s LYS 7 Cb -0.44 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 1a5i s LYS 7 CO 0.33 0.50 1.55 -1.21 -0.92 0.00 0.00 175.35 175.60 1a5i s GLU 8 N -1.96 3.96 0.44 1.68 2.02 -1.26 -4.89 118.70 118.70 1a5i s GLU 8 Ca 0.18 1.77 -0.25 0.00 0.02 0.00 0.00 54.97 56.68 1a5i s GLU 8 Cb -0.11 -3.97 -0.09 0.00 0.10 0.00 0.00 34.13 30.06 1a5i s GLU 8 CO 0.09 -1.08 1.38 -0.35 0.02 0.00 0.00 175.26 175.32 1a5i n PRO 9 N 7.35 2.14 -3.09 0.39 -0.04 -1.26 -4.97 135.00 135.52 1a5i n PRO 9 Ca 0.17 0.76 -0.40 0.00 -0.04 0.00 0.00 63.50 63.99 1a5i n PRO 9 Cb 0.45 -2.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.30 1a5i n PRO 9 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1a5i s GLN 10 N -2.38 4.23 0.75 0.54 -2.07 0.12 -4.86 119.66 116.00 1a5i s GLN 10 Ca 0.61 0.68 -0.11 0.00 -1.82 0.00 0.00 55.36 54.72 1a5i s GLN 10 Cb -0.47 -3.57 0.04 0.00 -1.09 0.00 0.00 33.01 27.92 1a5i s GLN 10 CO 0.58 -0.24 1.09 -1.17 -1.32 0.00 0.00 175.29 174.23 1a5i s LEU 11 N 1.90 2.76 0.00 2.60 2.96 -1.26 -0.78 118.68 126.86 1a5i s LEU 11 Ca 0.30 1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 55.45 1a5i s LEU 11 Cb -0.16 -3.98 0.01 0.00 0.50 0.00 0.00 46.19 42.56 1a5i s LEU 11 CO 0.11 -1.69 0.24 0.00 -1.32 0.00 0.00 176.35 173.69 1a5i n HIS 12 N -3.25 -1.14 -0.22 5.38 1.44 -0.77 -4.87 115.22 111.80 1a5i n HIS 12 Ca 0.07 -0.84 -0.06 0.00 -2.01 0.00 0.00 57.72 54.88 1a5i n HIS 12 Cb 0.56 0.28 -0.05 0.00 0.12 0.00 0.00 29.99 30.90 1a5i n HIS 12 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1a5i n SER 16 N -1.62 -0.55 0.00 4.39 3.41 -1.26 0.11 113.62 118.10 1a5i n SER 16 Ca -0.01 1.07 0.07 0.00 -0.26 0.00 0.00 58.87 59.73 1a5i n SER 16 Cb 0.23 -0.19 0.36 0.00 -0.26 0.00 0.00 64.21 64.35 1a5i n SER 16 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1a5i n THR 17 N -4.36 0.63 -0.61 6.66 -1.04 -1.26 -4.81 114.28 109.49 1a5i n THR 17 Ca 0.01 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1a5i n THR 17 Cb 0.14 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.73 1a5i n THR 17 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a5i n GLY 18 N -0.06 0.70 2.30 3.41 0.00 0.12 -4.78 105.19 106.88 1a5i n GLY 18 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1a5i n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5i n GLY 19 N -2.57 0.65 3.18 -0.02 0.00 -1.26 -4.78 105.19 100.39 1a5i n GLY 19 Ca 0.00 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 1a5i n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5i s LEU 20 N 0.00 2.07 -0.07 0.99 1.02 -1.25 -1.85 118.68 119.59 1a5i s LEU 20 Ca 0.39 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 54.20 1a5i s LEU 20 Cb -0.02 -0.90 -0.02 0.00 0.02 0.00 0.00 46.19 45.26 1a5i s LEU 20 CO 0.26 0.20 -0.13 -0.36 0.02 0.00 0.00 176.35 176.33 1a5i s PHE 21 N -0.52 2.74 0.11 0.29 0.08 0.04 -2.05 117.98 118.68 1a5i s PHE 21 Ca 0.07 -0.23 -0.10 0.00 0.12 0.00 0.00 56.93 56.79 1a5i s PHE 21 Cb -0.07 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.71 1a5i s PHE 21 CO -0.00 0.13 0.26 -0.08 -0.10 0.00 0.00 175.22 175.43 1a5i s THR 22 N -0.55 0.11 0.39 0.64 -1.32 -0.56 -0.70 115.64 113.66 1a5i s THR 22 Ca 0.08 -1.09 -0.24 0.00 -1.21 0.00 0.00 61.69 59.23 1a5i s THR 22 Cb -0.12 -1.40 -0.09 0.00 -1.51 0.00 0.00 72.50 69.38 1a5i s THR 22 CO 0.01 -0.51 1.01 -0.62 -2.21 0.00 0.00 174.62 172.31 1a5i s ASP 23 N -2.87 6.90 0.63 8.08 -1.08 -1.26 -4.31 116.67 122.76 1a5i s ASP 23 Ca 0.07 1.95 0.34 0.00 -0.52 0.00 0.00 52.55 54.39 1a5i s ASP 23 Cb 0.04 -2.58 1.91 0.00 -1.46 0.00 0.00 42.92 40.83 1a5i s ASP 23 CO -0.09 -0.39 2.17 -0.29 0.52 0.00 0.00 175.17 177.09 1a5i h ILE 24 N 2.25 0.25 -0.12 4.11 6.09 -1.89 -1.96 117.51 126.23 1a5i h ILE 24 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1a5i h ILE 24 Cb 1.21 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.36 1a5i h ILE 24 CO 0.63 0.00 0.08 0.71 -3.07 0.00 0.00 178.15 176.49 1a5i h THR 25 N 0.00 1.03 0.00 2.19 1.35 -1.87 0.51 112.91 116.12 1a5i h THR 25 Ca 0.03 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1a5i h THR 25 Cb 0.32 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1a5i h THR 25 CO -0.00 0.03 0.00 -1.20 -0.25 0.00 0.00 175.52 174.10 1a5i n SER 26 N -4.52 0.00 -2.94 5.36 7.64 -0.74 -3.87 113.62 114.55 1a5i n SER 26 Ca -0.01 0.30 -0.13 0.00 1.01 0.00 0.00 58.87 60.04 1a5i n SER 26 Cb 0.08 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 62.89 1a5i n SER 26 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1a5i n HIS 27 N -1.42 -1.60 0.22 1.43 8.25 0.13 -4.94 115.22 117.27 1a5i n HIS 27 Ca 0.07 -2.83 0.13 0.00 -0.26 0.00 0.00 57.72 54.84 1a5i n HIS 27 Cb 0.23 0.72 0.69 0.00 1.12 0.00 0.00 29.99 32.75 1a5i n HIS 27 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1a5i h PRO 28 N 3.19 0.00 0.00 -0.41 0.11 -1.57 -0.97 132.00 132.34 1a5i h PRO 28 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1a5i h PRO 28 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1a5i h PRO 28 CO 0.31 0.00 -0.41 -2.67 -0.21 0.00 0.00 178.00 175.02 1a5i n TRP 29 N -2.45 0.34 -2.14 0.65 2.14 -0.99 -1.49 117.44 113.50 1a5i n TRP 29 Ca -0.02 0.10 -0.41 0.00 2.07 0.00 0.00 57.50 59.24 1a5i n TRP 29 Cb 0.14 -0.54 -0.03 0.00 -0.81 0.00 0.00 31.31 30.08 1a5i n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1a5i s GLN 30 N -3.08 4.35 0.10 -2.67 2.00 -0.37 -0.77 119.66 119.22 1a5i s GLN 30 Ca 0.09 2.16 0.07 0.00 -2.00 0.00 0.00 55.36 55.68 1a5i s GLN 30 Cb 0.15 -3.14 -0.03 0.00 0.80 0.00 0.00 33.01 30.79 1a5i s GLN 30 CO 0.67 -0.28 -0.18 0.00 -0.50 0.00 0.00 175.29 175.00 1a5i s ALA 31 N -0.19 1.61 -0.20 1.58 0.00 0.36 -4.41 121.76 120.52 1a5i s ALA 31 Ca 0.56 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1a5i s ALA 31 Cb -0.39 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1a5i s ALA 31 CO 0.43 0.26 -0.14 0.00 0.00 0.00 0.00 175.76 176.31 1a5i s ALA 32 N -1.42 2.51 -0.19 0.00 0.00 -0.61 0.73 121.76 122.78 1a5i s ALA 32 Ca 0.05 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 1a5i s ALA 32 Cb -0.09 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1a5i s ALA 32 CO 0.04 -0.45 0.10 0.42 0.00 0.00 0.00 175.76 175.87 1a5i s ILE 33 N 1.34 5.17 0.16 0.00 1.01 -0.49 -1.28 121.20 127.10 1a5i s ILE 33 Ca 0.04 0.10 0.10 0.00 0.00 0.00 0.00 60.65 60.90 1a5i s ILE 33 Cb -0.14 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1a5i s ILE 33 CO -0.09 0.45 -0.23 -0.36 0.00 0.00 0.00 174.94 174.71 1a5i s PHE 34 N 0.35 2.11 0.27 3.97 0.40 0.91 -1.34 117.98 124.65 1a5i s PHE 34 Ca 0.06 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 56.08 1a5i s PHE 34 Cb -0.11 -1.09 -0.06 0.00 0.51 0.00 0.00 43.02 42.27 1a5i s PHE 34 CO -0.01 0.38 -0.11 0.00 0.70 0.00 0.00 175.22 176.18 1a5i s ALA 35 N -1.52 2.45 -0.29 5.36 0.00 -1.02 -0.27 121.76 126.47 1a5i s ALA 35 Ca 0.16 -1.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 1a5i s ALA 35 Cb -0.08 0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.17 1a5i s ALA 35 CO 0.07 0.05 0.25 -0.65 0.00 0.00 0.00 175.76 175.48 1a5i s GLN 36 N -3.65 0.29 0.42 0.00 -0.21 -1.17 -2.65 119.66 112.70 1a5i s GLN 36 Ca 0.29 -0.23 0.16 0.00 0.02 0.00 0.00 55.36 55.60 1a5i s GLN 36 Cb 0.01 -0.78 0.95 0.00 1.00 0.00 0.00 33.01 34.19 1a5i s GLN 36 CO 0.12 -1.02 1.92 -2.95 -2.12 0.00 0.00 175.29 171.24 1a5i h ASN 37 N 8.30 0.00 0.00 5.90 -1.07 -1.91 -3.42 115.58 123.38 1a5i h ASN 37 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.22 1a5i h ASN 37 Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 1a5i h ASN 37 CO 0.36 0.26 0.00 -1.14 0.07 0.00 0.00 177.43 176.98 1a5i n ARG 37 N -4.06 0.00 -0.29 4.14 3.00 -1.26 -5.17 116.66 113.03 1a5i n ARG 37 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1a5i n ARG 37 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.79 1a5i n ARG 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1a5i n SER 37 N 3.56 -0.39 0.00 6.15 7.64 -1.26 -5.28 113.62 124.04 1a5i n SER 37 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a5i n SER 37 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1a5i n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5i n GLY 37 N -0.23 -0.97 2.74 0.23 0.00 -1.26 -4.99 105.19 100.71 1a5i n GLY 37 Ca 0.00 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 1a5i n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a5i s GLU 38 N -1.33 0.30 -0.08 1.61 2.12 -1.26 -4.83 118.70 115.22 1a5i s GLU 38 Ca 0.00 0.21 -0.10 0.00 0.36 0.00 0.00 54.97 55.44 1a5i s GLU 38 Cb 0.00 -0.73 -0.05 0.00 0.26 0.00 0.00 34.13 33.61 1a5i s GLU 38 CO 0.00 -0.29 0.24 -0.98 -0.54 0.00 0.00 175.26 173.69 1a5i s ARG 39 N 1.94 3.65 0.02 4.30 1.70 -1.08 -4.95 118.95 124.54 1a5i s ARG 39 Ca 0.03 0.07 -0.30 0.00 -0.47 0.00 0.00 55.73 55.06 1a5i s ARG 39 Cb -0.12 -3.21 -0.06 0.00 -0.57 0.00 0.00 34.95 30.99 1a5i s ARG 39 CO -0.04 0.72 1.39 0.12 -1.08 0.00 0.00 175.30 176.42 1a5i s PHE 40 N -0.97 2.92 -0.23 5.89 5.36 -1.26 -2.45 117.98 127.24 1a5i s PHE 40 Ca 0.18 0.85 -0.09 0.00 -0.96 0.00 0.00 56.93 56.91 1a5i s PHE 40 Cb -0.14 -3.66 -0.10 0.00 -0.34 0.00 0.00 43.02 38.78 1a5i s PHE 40 CO 0.07 -2.41 -0.28 -0.11 -1.46 0.00 0.00 175.22 171.04 1a5i n LEU 41 N 5.15 1.82 0.00 6.12 7.94 -0.45 -4.96 117.00 132.62 1a5i n LEU 41 Ca 0.13 0.22 -0.01 0.00 -1.11 0.00 0.00 56.01 55.23 1a5i n LEU 41 Cb 0.44 -0.68 0.01 0.00 0.53 0.00 0.00 43.42 43.72 1a5i n LEU 41 CO 0.58 0.53 0.44 0.00 -1.11 0.00 0.00 177.39 177.84 1a5i s GLY 43 N -2.78 2.19 0.17 0.00 0.00 -0.70 -1.40 107.32 104.79 1a5i s GLY 43 Ca 0.12 -1.90 -0.15 0.00 0.00 0.00 0.00 44.72 42.79 1a5i s GLY 43 CO 0.02 -1.75 0.43 -0.32 0.00 0.00 0.00 173.10 171.48 1a5i s GLY 44 N -4.10 -0.02 -0.13 0.20 0.00 0.22 -3.98 107.32 99.51 1a5i s GLY 44 Ca 0.46 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.89 1a5i s GLY 44 CO 0.27 -0.41 -0.21 -0.42 0.00 0.00 0.00 173.10 172.33 1a5i s ILE 45 N -3.87 2.23 -0.54 0.90 1.01 -0.33 0.13 121.20 120.73 1a5i s ILE 45 Ca 0.09 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 1a5i s ILE 45 Cb 0.01 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.62 1a5i s ILE 45 CO -0.05 0.54 1.14 -0.22 0.00 0.00 0.00 174.94 176.35 1a5i s LEU 46 N 0.65 3.60 0.14 2.97 2.96 0.05 -0.11 118.68 128.94 1a5i s LEU 46 Ca -0.10 0.18 0.18 0.00 -0.22 0.00 0.00 54.13 54.16 1a5i s LEU 46 Cb -0.16 -3.26 -0.06 0.00 0.50 0.00 0.00 46.19 43.21 1a5i s LEU 46 CO 0.02 -1.36 0.99 0.16 -1.32 0.00 0.00 176.35 174.84 1a5i h ILE 47 N 6.17 0.42 -2.68 6.68 3.07 -1.78 -2.36 117.51 127.03 1a5i h ILE 47 Ca -0.24 -1.76 0.02 0.00 1.55 0.00 0.00 64.86 64.42 1a5i h ILE 47 Cb 1.06 1.96 -0.14 0.00 -0.27 0.00 0.00 36.82 39.44 1a5i h ILE 47 CO 1.15 0.24 0.30 -0.94 -1.05 0.00 0.00 178.15 177.84 1a5i s SER 48 N -5.80 -0.51 0.38 2.16 1.04 -1.22 -4.52 113.70 105.23 1a5i s SER 48 Ca -0.01 0.07 0.32 0.00 0.48 0.00 0.00 55.95 56.81 1a5i s SER 48 Cb 0.09 0.53 1.22 0.00 0.10 0.00 0.00 66.02 67.95 1a5i s SER 48 CO 0.79 -0.83 1.16 -0.24 0.98 0.00 0.00 173.24 175.10 1a5i n SER 49 N -0.21 0.06 -0.28 7.02 2.88 -1.26 -0.44 113.62 121.38 1a5i n SER 49 Ca -0.15 0.85 0.06 0.00 -1.33 0.00 0.00 58.87 58.30 1a5i n SER 49 Cb 0.63 -0.42 0.09 0.00 -0.75 0.00 0.00 64.21 63.76 1a5i n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a5i s TRP 51 N -1.71 0.56 -0.03 0.00 0.52 0.41 -0.68 118.94 118.01 1a5i s TRP 51 Ca 0.20 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.10 1a5i s TRP 51 Cb 0.18 -0.35 0.02 0.00 -1.15 0.00 0.00 33.47 32.17 1a5i s TRP 51 CO 0.01 -0.03 -0.02 0.08 0.02 0.00 0.00 176.95 177.01 1a5i s VAL 52 N -0.52 0.30 0.22 4.03 1.01 -0.48 -2.37 120.40 122.58 1a5i s VAL 52 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1a5i s VAL 52 Cb -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1a5i s VAL 52 CO 0.00 0.16 0.47 -0.76 0.00 0.00 0.00 175.10 174.97 1a5i s LEU 53 N 0.80 4.17 0.00 3.92 1.43 0.85 -0.01 118.68 129.84 1a5i s LEU 53 Ca -0.09 0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1a5i s LEU 53 Cb -0.12 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1a5i s LEU 53 CO -0.01 -0.08 0.38 0.41 0.23 0.00 0.00 176.35 177.28 1a5i n THR 54 N -0.47 0.00 -3.63 5.49 -1.04 0.89 -1.19 114.28 114.33 1a5i n THR 54 Ca -0.02 -0.43 -0.37 0.00 -2.04 0.00 0.00 64.05 61.20 1a5i n THR 54 Cb 0.53 0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 69.41 1a5i n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5i s ALA 55 N -1.49 3.70 0.28 2.41 0.00 -1.26 -0.66 121.76 124.74 1a5i s ALA 55 Ca 0.08 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1a5i s ALA 55 Cb -0.02 -2.26 0.59 0.00 0.00 0.00 0.00 23.12 21.43 1a5i s ALA 55 CO 0.05 0.33 1.80 0.00 0.00 0.00 0.00 175.76 177.94 1a5i h ALA 56 N 5.75 1.48 0.00 0.00 0.00 -1.76 -1.69 119.26 123.04 1a5i h ALA 56 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a5i h ALA 56 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1a5i h ALA 56 CO 0.68 0.06 0.00 -2.39 0.00 0.00 0.00 179.25 177.59 1a5i n HIS 57 N -4.73 0.00 0.41 0.00 1.44 -1.26 -2.11 115.22 108.96 1a5i n HIS 57 Ca 0.19 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.04 1a5i n HIS 57 Cb 0.43 -0.12 0.44 0.00 0.12 0.00 0.00 29.99 30.87 1a5i n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a5i n PHE 59 N -2.60 3.55 0.00 0.00 3.72 -0.90 -4.83 117.46 116.40 1a5i n PHE 59 Ca 0.03 -3.47 0.00 0.00 -0.05 0.00 0.00 57.45 53.96 1a5i n PHE 59 Cb 0.37 -1.20 0.00 0.00 -0.94 0.00 0.00 39.48 37.70 1a5i n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1a5i n GLN 60 N 1.74 0.00 -2.08 -1.08 6.02 -1.26 -4.61 117.38 116.10 1a5i n GLN 60 Ca 0.25 0.47 -0.43 0.00 -0.01 0.00 0.00 57.00 57.29 1a5i n GLN 60 Cb 0.36 -1.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.51 1a5i n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1a5i s GLU 60 N -1.41 3.68 -0.82 -1.09 -6.30 -1.26 -4.83 118.70 106.67 1a5i s GLU 60 Ca 0.00 1.60 -0.18 0.00 -2.50 0.00 0.00 54.97 53.89 1a5i s GLU 60 Cb 0.00 -4.08 -0.21 0.00 0.00 0.00 0.00 34.13 29.84 1a5i s GLU 60 CO 0.00 -1.44 2.16 0.43 0.02 0.00 0.00 175.26 176.43 1a5i n SER 60 N 8.91 0.31 -4.80 -1.70 7.64 -1.26 -4.90 113.62 117.82 1a5i n SER 60 Ca 0.20 -1.30 -0.29 0.00 1.01 0.00 0.00 58.87 58.49 1a5i n SER 60 Cb 0.46 -1.20 0.12 0.00 -1.01 0.00 0.00 64.21 62.57 1a5i n SER 60 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1a5i s TYR 60 N 8.95 2.65 -0.05 1.43 2.02 -1.26 -5.08 117.35 126.01 1a5i s TYR 60 Ca 0.96 0.93 0.06 0.00 -0.37 0.00 0.00 57.07 58.65 1a5i s TYR 60 Cb -0.35 -3.32 -0.01 0.00 -0.40 0.00 0.00 41.96 37.88 1a5i s TYR 60 CO 0.25 -2.13 -0.25 -0.51 -1.57 0.00 0.00 175.55 171.33 1a5i s LEU 60 N -5.91 2.06 0.26 -1.29 1.43 -1.26 -5.03 118.68 108.94 1a5i s LEU 60 Ca 0.63 -0.50 0.19 0.00 -1.03 0.00 0.00 54.13 53.41 1a5i s LEU 60 Cb -0.14 -1.36 0.89 0.00 0.03 0.00 0.00 46.19 45.60 1a5i s LEU 60 CO 0.53 0.26 0.94 -2.65 0.23 0.00 0.00 176.35 175.66 1a5i n PRO 61 N 2.86 -0.02 0.17 1.29 -0.02 -1.26 0.53 135.00 138.54 1a5i n PRO 61 Ca -0.17 0.76 0.02 0.00 -2.02 0.00 0.00 63.50 62.09 1a5i n PRO 61 Cb 0.52 -1.49 0.30 0.00 -0.02 0.00 0.00 33.50 32.81 1a5i n PRO 61 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1a5i h ASP 62 N 0.00 0.00 -0.10 2.55 3.32 -1.94 -3.17 116.42 117.08 1a5i h ASP 62 Ca 0.53 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.53 1a5i h ASP 62 Cb 1.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 1a5i h ASP 62 CO -0.30 0.46 -0.14 1.56 -1.72 0.00 0.00 179.24 179.09 1a5i h GLN 63 N 0.00 0.27 -6.67 3.56 4.20 -0.18 -3.45 115.11 112.83 1a5i h GLN 63 Ca -0.00 -0.16 -0.53 0.00 0.06 0.00 0.00 58.65 58.02 1a5i h GLN 63 Cb 0.83 0.01 0.04 0.00 0.30 0.00 0.00 27.48 28.67 1a5i h GLN 63 CO 0.06 0.73 0.70 -0.51 -0.67 0.00 0.00 178.83 179.14 1a5i s LEU 64 N -9.03 4.40 0.01 1.46 1.43 -1.20 -3.02 118.68 112.74 1a5i s LEU 64 Ca -0.15 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.46 1a5i s LEU 64 Cb 0.04 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 1a5i s LEU 64 CO 0.74 -0.60 -0.13 -0.75 0.23 0.00 0.00 176.35 175.84 1a5i s LYS 65 N 0.07 0.97 -0.13 1.70 2.20 0.62 -3.30 119.74 121.86 1a5i s LYS 65 Ca 0.59 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1a5i s LYS 65 Cb -0.38 -0.94 0.02 0.00 -1.51 0.00 0.00 37.83 35.02 1a5i s LYS 65 CO 0.38 0.25 -0.12 0.08 -0.36 0.00 0.00 175.35 175.58 1a5i s VAL 66 N -0.49 1.37 -0.00 4.02 1.01 -1.02 -0.07 120.40 125.21 1a5i s VAL 66 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1a5i s VAL 66 Cb -0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1a5i s VAL 66 CO 0.00 0.42 -0.09 0.54 0.00 0.00 0.00 175.10 175.97 1a5i s VAL 67 N 1.57 3.45 0.12 2.92 0.11 -0.41 -0.59 120.40 127.57 1a5i s VAL 67 Ca 0.05 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.34 1a5i s VAL 67 Cb -0.13 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 1a5i s VAL 67 CO -0.10 0.42 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.22 1a5i s LEU 68 N -1.29 2.43 -0.35 2.54 1.43 0.17 -1.57 118.68 122.04 1a5i s LEU 68 Ca 0.16 -0.86 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1a5i s LEU 68 Cb -0.11 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1a5i s LEU 68 CO 0.06 -0.22 0.05 0.61 0.23 0.00 0.00 176.35 177.08 1a5i n GLY 69 N 0.37 0.29 3.15 -3.19 0.00 -1.25 -0.20 105.19 104.37 1a5i n GLY 69 Ca -0.14 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1a5i n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5i s ARG 70 N -4.44 2.67 -0.12 1.61 3.52 -1.26 -3.47 118.95 117.46 1a5i s ARG 70 Ca 0.03 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 54.64 1a5i s ARG 70 Cb -0.01 -2.09 -0.26 0.00 -1.56 0.00 0.00 34.95 31.02 1a5i s ARG 70 CO 0.03 0.09 0.69 1.15 -0.81 0.00 0.00 175.30 176.45 1a5i h THR 71 N 5.81 1.49 -3.52 4.11 2.02 -1.92 -3.44 112.91 117.47 1a5i h THR 71 Ca -0.25 -2.38 -0.61 0.00 0.77 0.00 0.00 66.41 63.94 1a5i h THR 71 Cb 1.21 3.08 -0.12 0.00 -1.74 0.00 0.00 68.15 70.58 1a5i h THR 71 CO 0.49 0.60 0.12 -0.31 0.37 0.00 0.00 175.52 176.79 1a5i s TYR 72 N -2.33 3.25 0.26 3.16 2.02 -1.26 0.10 117.35 122.56 1a5i s TYR 72 Ca -0.19 0.69 0.02 0.00 -0.37 0.00 0.00 57.07 57.22 1a5i s TYR 72 Cb 0.00 -2.88 0.66 0.00 -0.40 0.00 0.00 41.96 39.35 1a5i s TYR 72 CO 0.72 -0.38 1.31 -2.13 -1.57 0.00 0.00 175.55 173.50 1a5i n ARG 73 N 5.75 -0.07 -0.00 -0.62 0.63 -0.79 -2.23 116.66 119.33 1a5i n ARG 73 Ca -0.01 1.25 0.05 0.00 -0.92 0.00 0.00 57.85 58.22 1a5i n ARG 73 Cb 0.49 -2.00 -0.07 0.00 0.45 0.00 0.00 32.46 31.34 1a5i n ARG 73 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1a5i n VAL 74 N -5.19 0.00 -3.12 5.15 0.31 -1.26 -5.00 118.33 109.22 1a5i n VAL 74 Ca 0.20 -0.25 -0.35 0.00 -0.01 0.00 0.00 64.34 63.93 1a5i n VAL 74 Cb 0.66 0.71 -0.06 0.00 -0.91 0.00 0.00 33.84 34.25 1a5i n VAL 74 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1a5i s LYS 75 N -2.26 4.14 0.09 5.55 1.02 -0.95 -5.01 119.74 122.33 1a5i s LYS 75 Ca 0.01 0.78 -0.31 0.00 0.02 0.00 0.00 55.97 56.47 1a5i s LYS 75 Cb 0.07 -2.69 -0.07 0.00 -0.52 0.00 0.00 37.83 34.63 1a5i s LYS 75 CO 0.43 0.29 1.25 -2.14 -0.92 0.00 0.00 175.35 174.26 1a5i s PRO 76 N -2.40 4.40 0.39 -1.68 0.02 -1.26 -4.66 135.00 129.80 1a5i s PRO 76 Ca 0.48 1.87 -0.24 0.00 0.02 0.00 0.00 61.00 63.13 1a5i s PRO 76 Cb -0.14 -3.31 -0.09 0.00 0.02 0.00 0.00 34.50 30.98 1a5i s PRO 76 CO 0.19 -0.29 1.02 0.20 -0.33 0.00 0.00 177.00 177.79 1a5i s GLY 77 N 0.98 2.72 0.22 0.52 0.00 -1.26 -4.97 107.32 105.52 1a5i s GLY 77 Ca 0.60 0.64 -0.08 0.00 0.00 0.00 0.00 44.72 45.88 1a5i s GLY 77 CO 0.30 1.06 1.80 0.83 0.00 0.00 0.00 173.10 177.10 1a5i h GLU 78 N 2.58 0.66 -0.46 2.90 3.07 -1.95 -2.56 114.58 118.83 1a5i h GLU 78 Ca -0.48 -0.04 -0.30 0.00 -0.50 0.00 0.00 59.36 58.04 1a5i h GLU 78 Cb 1.21 -0.15 -0.19 0.00 -0.84 0.00 0.00 28.75 28.78 1a5i h GLU 78 CO 0.63 0.44 -0.25 0.39 -1.40 0.00 0.00 179.01 178.82 1a5i n GLU 79 N -4.80 2.32 -1.24 2.33 1.02 -1.26 -5.05 120.64 113.96 1a5i n GLU 79 Ca 0.10 -3.47 -0.31 0.00 -0.02 0.00 0.00 57.16 53.46 1a5i n GLU 79 Cb 0.21 -1.95 0.09 0.00 -0.02 0.00 0.00 31.44 29.78 1a5i n GLU 79 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1a5i s GLU 80 N -3.40 2.19 -0.08 3.49 -1.05 -0.97 -4.71 118.70 114.18 1a5i s GLU 80 Ca 0.47 1.16 -0.03 0.00 -0.15 0.00 0.00 54.97 56.43 1a5i s GLU 80 Cb 0.41 -1.89 0.04 0.00 -0.44 0.00 0.00 34.13 32.25 1a5i s GLU 80 CO -0.00 -1.69 0.07 -0.65 0.95 0.00 0.00 175.26 173.94 1a5i s GLN 81 N -4.90 -0.04 -0.10 -4.83 -0.21 0.72 -4.96 119.66 105.35 1a5i s GLN 81 Ca 0.61 0.24 -0.03 0.00 0.02 0.00 0.00 55.36 56.21 1a5i s GLN 81 Cb -0.17 -0.90 -0.03 0.00 1.00 0.00 0.00 33.01 32.90 1a5i s GLN 81 CO 0.56 -0.43 0.02 0.99 -2.12 0.00 0.00 175.29 174.31 1a5i s THR 82 N 2.16 4.51 0.29 -0.19 2.01 -1.26 -0.65 115.64 122.51 1a5i s THR 82 Ca 0.04 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1a5i s THR 82 Cb -0.13 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1a5i s THR 82 CO -0.05 0.60 0.15 0.49 -0.69 0.00 0.00 174.62 175.11 1a5i n PHE 83 N 2.25 -0.13 -4.04 4.92 3.01 0.24 -5.00 117.46 118.71 1a5i n PHE 83 Ca -0.19 -2.06 -0.13 0.00 1.01 0.00 0.00 57.45 56.09 1a5i n PHE 83 Cb 0.54 0.07 -0.12 0.00 -0.01 0.00 0.00 39.48 39.95 1a5i n PHE 83 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1a5i s LYS 84 N -3.15 0.40 0.03 -1.08 2.20 -1.26 -2.44 119.74 114.44 1a5i s LYS 84 Ca 0.21 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1a5i s LYS 84 Cb 0.01 -0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.09 1a5i s LYS 84 CO 0.15 0.04 1.19 0.08 -0.36 0.00 0.00 175.35 176.44 1a5i s VAL 85 N -0.97 4.14 -0.08 4.02 1.01 -1.21 -1.73 120.40 125.58 1a5i s VAL 85 Ca -0.08 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.22 1a5i s VAL 85 Cb -0.07 -3.98 -0.29 0.00 0.00 0.00 0.00 36.38 32.04 1a5i s VAL 85 CO -0.00 0.09 0.74 0.50 0.00 0.00 0.00 175.10 176.43 1a5i h LYS 86 N 6.98 0.24 -1.75 2.72 3.11 -1.15 -3.40 116.57 123.31 1a5i h LYS 86 Ca -0.40 -0.41 0.02 0.00 -2.81 0.00 0.00 60.65 57.06 1a5i h LYS 86 Cb 1.20 0.15 -0.23 0.00 -1.00 0.00 0.00 32.23 32.36 1a5i h LYS 86 CO 0.82 1.20 0.36 -1.59 -2.81 0.00 0.00 179.45 177.43 1a5i s LYS 87 N -2.42 0.71 0.06 1.90 -2.85 -1.15 -4.87 119.74 111.11 1a5i s LYS 87 Ca -0.17 0.49 0.08 0.00 -1.00 0.00 0.00 55.97 55.37 1a5i s LYS 87 Cb 0.02 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 1a5i s LYS 87 CO 0.79 -0.16 -0.21 1.52 0.10 0.00 0.00 175.35 177.39 1a5i s TYR 88 N -0.39 1.81 -0.13 1.78 -0.85 -1.26 -0.26 117.35 118.05 1a5i s TYR 88 Ca -0.02 -0.39 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1a5i s TYR 88 Cb -0.03 -1.05 0.01 0.00 0.38 0.00 0.00 41.96 41.27 1a5i s TYR 88 CO 0.01 0.13 -0.19 0.42 -1.52 0.00 0.00 175.55 174.40 1a5i s ILE 89 N -0.92 1.83 -0.24 -3.49 1.01 0.30 -4.98 121.20 114.71 1a5i s ILE 89 Ca 0.07 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1a5i s ILE 89 Cb -0.09 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1a5i s ILE 89 CO 0.03 0.51 0.06 -0.69 0.00 0.00 0.00 174.94 174.85 1a5i s VAL 90 N 0.91 4.36 -0.47 2.92 1.01 -1.26 -0.63 120.40 127.24 1a5i s VAL 90 Ca -0.06 -0.16 -0.40 0.00 0.00 0.00 0.00 61.98 61.36 1a5i s VAL 90 Cb -0.15 -3.02 -0.16 0.00 0.00 0.00 0.00 36.38 33.04 1a5i s VAL 90 CO -0.02 0.36 2.18 1.57 0.00 0.00 0.00 175.10 179.19 1a5i n HIS 91 N 4.69 1.29 -0.25 5.22 -0.00 -0.81 -4.81 115.22 120.55 1a5i n HIS 91 Ca -0.16 0.57 0.08 0.00 0.46 0.00 0.00 57.72 58.67 1a5i n HIS 91 Cb 0.52 -2.38 0.16 0.00 -0.12 0.00 0.00 29.99 28.17 1a5i n HIS 91 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1a5i n LYS 92 N 7.81 -0.06 -0.63 1.57 5.02 -1.26 0.01 118.16 130.62 1a5i n LYS 92 Ca 0.50 1.09 -0.08 0.00 -2.02 0.00 0.00 58.31 57.80 1a5i n LYS 92 Cb 0.07 -1.69 0.14 0.00 -0.02 0.00 0.00 35.03 33.52 1a5i n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a5i n GLU 93 N -5.06 2.12 -2.08 1.97 1.02 -1.26 -4.93 120.64 112.42 1a5i n GLU 93 Ca 0.15 -1.69 -0.43 0.00 -0.02 0.00 0.00 57.16 55.17 1a5i n GLU 93 Cb 0.47 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1a5i n GLU 93 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1a5i s PHE 94 N -1.87 2.09 -0.47 -0.32 5.36 0.10 -4.63 117.98 118.24 1a5i s PHE 94 Ca 0.31 0.41 -0.22 0.00 -0.96 0.00 0.00 56.93 56.47 1a5i s PHE 94 Cb 0.26 -3.90 0.03 0.00 -0.34 0.00 0.00 43.02 39.07 1a5i s PHE 94 CO 0.07 -3.32 0.73 0.34 -1.46 0.00 0.00 175.22 171.59 1a5i s ASP 95 N 3.62 6.33 0.53 6.13 -1.08 -0.30 -4.89 116.67 127.01 1a5i s ASP 95 Ca 0.71 -0.38 0.24 0.00 -0.52 0.00 0.00 52.55 52.60 1a5i s ASP 95 Cb -0.29 -2.35 1.45 0.00 -1.46 0.00 0.00 42.92 40.27 1a5i s ASP 95 CO 0.28 -0.92 2.13 -0.78 0.52 0.00 0.00 175.17 176.40 1a5i h ASP 96 N 9.01 0.00 -0.06 -0.34 1.82 -1.93 0.81 116.42 125.73 1a5i h ASP 96 Ca -0.26 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.16 1a5i h ASP 96 Cb 1.09 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.11 1a5i h ASP 96 CO 0.96 0.08 -0.82 -0.78 -1.61 0.00 0.00 179.24 177.07 1a5i h ASP 97 N 0.00 0.82 -0.03 2.28 3.58 -1.97 -3.37 116.42 117.72 1a5i h ASP 97 Ca -0.00 -0.70 0.00 0.00 0.42 0.00 0.00 57.03 56.75 1a5i h ASP 97 Cb 0.17 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1a5i h ASP 97 CO 0.01 1.40 0.00 0.35 -2.88 0.00 0.00 179.24 178.12 1a5i n THR 98 N -4.00 0.33 -1.31 2.25 -2.24 -1.04 -5.00 114.28 103.28 1a5i n THR 98 Ca -0.10 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 60.91 1a5i n THR 98 Cb 0.77 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.82 1a5i n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1a5i n TYR 99 N -0.00 0.00 -2.19 4.78 4.01 0.28 -4.94 117.16 119.09 1a5i n TYR 99 Ca 0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.36 1a5i n TYR 99 Cb 0.14 -2.75 -0.02 0.00 -0.31 0.00 0.00 39.34 36.39 1a5i n TYR 99 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1a5i s ASN 100 N -2.40 6.80 -1.19 7.72 3.84 -1.24 -2.37 114.94 126.10 1a5i s ASN 100 Ca 0.00 2.58 0.00 0.00 0.21 0.00 0.00 52.86 55.65 1a5i s ASN 100 Cb 0.00 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1a5i s ASN 100 CO 0.00 -0.50 0.00 0.59 -2.79 0.00 0.00 177.10 174.40 1a5i n ASN 101 N 0.74 -4.22 -4.56 -4.21 3.02 -1.26 -1.15 115.26 103.62 1a5i n ASN 101 Ca 0.00 0.10 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 1a5i n ASN 101 Cb 0.43 -3.23 -0.05 0.00 -0.61 0.00 0.00 39.78 36.32 1a5i n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a5i s ASP 102 N -2.56 5.42 -0.21 6.41 2.15 -1.00 -4.46 116.67 122.41 1a5i s ASP 102 Ca 0.00 -0.97 -0.27 0.00 0.43 0.00 0.00 52.55 51.74 1a5i s ASP 102 Cb 0.00 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.13 1a5i s ASP 102 CO 0.00 -2.52 0.77 -0.51 -0.17 0.00 0.00 175.17 172.73 1a5i s ILE 103 N 9.13 0.00 -0.02 4.11 2.07 -1.26 -4.35 121.20 130.88 1a5i s ILE 103 Ca 0.65 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.67 1a5i s ILE 103 Cb -0.05 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.59 1a5i s ILE 103 CO -0.01 0.00 0.48 0.00 -1.91 0.00 0.00 174.94 173.50 1a5i s ALA 104 N -0.11 -1.23 0.17 1.50 0.00 0.16 -1.92 121.76 120.32 1a5i s ALA 104 Ca -0.02 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1a5i s ALA 104 Cb -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1a5i s ALA 104 CO 0.02 -0.33 0.07 -0.51 0.00 0.00 0.00 175.76 175.02 1a5i s LEU 105 N -1.33 3.57 -0.15 0.00 1.43 0.19 -0.07 118.68 122.31 1a5i s LEU 105 Ca -0.12 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1a5i s LEU 105 Cb -0.03 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 44.05 1a5i s LEU 105 CO 0.06 0.08 0.04 -0.76 0.23 0.00 0.00 176.35 176.00 1a5i s LEU 106 N -3.04 0.84 -0.20 1.79 1.43 0.99 -0.54 118.68 119.95 1a5i s LEU 106 Ca 0.29 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 1a5i s LEU 106 Cb -0.10 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 1a5i s LEU 106 CO 0.21 -0.28 0.75 -1.58 0.23 0.00 0.00 176.35 175.68 1a5i s GLN 107 N 1.95 4.23 1.09 1.70 0.74 0.64 -1.39 119.66 128.61 1a5i s GLN 107 Ca 0.01 0.83 -0.17 0.00 0.05 0.00 0.00 55.36 56.09 1a5i s GLN 107 Cb -0.15 -3.60 0.24 0.00 1.10 0.00 0.00 33.01 30.60 1a5i s GLN 107 CO -0.07 -0.35 1.17 -0.51 -0.55 0.00 0.00 175.29 174.98 1a5i s LEU 108 N 2.24 1.47 -0.05 3.68 1.43 0.14 -0.86 118.68 126.73 1a5i s LEU 108 Ca 0.33 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1a5i s LEU 108 Cb -0.16 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.55 1a5i s LEU 108 CO 0.10 -3.48 0.02 -0.75 0.23 0.00 0.00 176.35 172.47 1a5i s LYS 109 N -5.49 0.35 0.13 1.70 2.20 -0.71 -4.12 119.74 113.81 1a5i s LYS 109 Ca 0.70 0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 56.37 1a5i s LYS 109 Cb -0.09 -0.72 0.01 0.00 -1.51 0.00 0.00 37.83 35.51 1a5i s LYS 109 CO 0.55 -0.26 0.29 0.45 -0.36 0.00 0.00 175.35 176.02 1a5i s SER 110 N 1.76 -0.02 0.00 1.43 0.15 -1.26 -4.36 113.70 111.40 1a5i s SER 110 Ca 0.01 -0.61 0.07 0.00 0.70 0.00 0.00 55.95 56.11 1a5i s SER 110 Cb -0.13 0.42 0.40 0.00 -1.71 0.00 0.00 66.02 65.00 1a5i s SER 110 CO -0.04 -0.83 1.16 -0.67 1.20 0.00 0.00 173.24 174.06 1a5i n ASP 110 N -0.17 0.00 -4.01 5.45 2.03 -1.26 -4.73 116.55 113.86 1a5i n ASP 110 Ca -0.13 -1.57 -0.12 0.00 0.52 0.00 0.00 54.79 53.49 1a5i n ASP 110 Cb 0.63 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.91 1a5i n ASP 110 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1a5i s SER 110 N -1.32 0.58 0.00 1.67 0.01 -1.26 -5.00 113.70 108.37 1a5i s SER 110 Ca 0.10 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 56.99 1a5i s SER 110 Cb 0.05 0.04 0.46 0.00 0.21 0.00 0.00 66.02 66.78 1a5i s SER 110 CO 0.08 -0.19 0.89 -0.81 0.41 0.00 0.00 173.24 173.62 1a5i n PRO 110 N 1.78 0.26 -3.95 12.44 -0.04 -1.26 -3.90 135.00 140.33 1a5i n PRO 110 Ca -0.21 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.94 1a5i n PRO 110 Cb 0.55 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.41 1a5i n PRO 110 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1a5i s GLN 110 N -2.00 1.40 0.00 0.54 0.74 -1.26 -4.91 119.66 114.17 1a5i s GLN 110 Ca 0.11 -1.84 0.00 0.00 0.05 0.00 0.00 55.36 53.69 1a5i s GLN 110 Cb 0.05 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.19 1a5i s GLN 110 CO 0.09 -0.98 0.02 0.00 -0.55 0.00 0.00 175.29 173.87 1a5i s ALA 112 N -3.77 3.78 -0.36 0.00 0.00 1.00 -4.97 121.76 117.43 1a5i s ALA 112 Ca 0.00 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 1a5i s ALA 112 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1a5i s ALA 112 CO 0.00 -0.85 0.21 -0.65 0.00 0.00 0.00 175.76 174.47 1a5i s GLN 113 N 1.41 2.97 0.42 0.00 -0.21 -1.26 -4.74 119.66 118.24 1a5i s GLN 113 Ca 0.71 -0.99 -0.23 0.00 0.02 0.00 0.00 55.36 54.88 1a5i s GLN 113 Cb -0.44 -3.73 -0.12 0.00 1.00 0.00 0.00 33.01 29.72 1a5i s GLN 113 CO 0.32 -0.64 0.58 -1.91 -2.12 0.00 0.00 175.29 171.52 1a5i n GLU 114 N 5.02 0.62 -3.68 2.91 2.13 -1.26 -4.78 120.64 121.59 1a5i n GLU 114 Ca -0.12 0.23 -0.01 0.00 0.66 0.00 0.00 57.16 57.91 1a5i n GLU 114 Cb 0.47 -1.54 -0.01 0.00 0.27 0.00 0.00 31.44 30.63 1a5i n GLU 114 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a5i s SER 115 N -0.93 -0.13 0.09 4.31 1.04 0.25 -4.92 113.70 113.41 1a5i s SER 115 Ca 0.63 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.84 1a5i s SER 115 Cb -0.60 0.33 0.24 0.00 0.10 0.00 0.00 66.02 66.09 1a5i s SER 115 CO 0.58 -0.61 1.03 0.47 0.98 0.00 0.00 173.24 175.69 1a5i n ASP 116 N -0.46 0.11 -0.00 7.02 8.00 -1.26 -0.94 116.55 129.02 1a5i n ASP 116 Ca -0.07 0.45 0.02 0.00 0.71 0.00 0.00 54.79 55.90 1a5i n ASP 116 Cb 0.62 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1a5i n ASP 116 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a5i n SER 117 N -1.58 1.09 -3.79 -2.24 7.64 -1.26 -4.42 113.62 109.06 1a5i n SER 117 Ca -0.00 -0.47 -0.25 0.00 1.01 0.00 0.00 58.87 59.16 1a5i n SER 117 Cb 0.14 1.05 -0.17 0.00 -1.01 0.00 0.00 64.21 64.22 1a5i n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1a5i s VAL 118 N -1.65 0.57 -0.27 0.44 1.01 -0.11 -3.74 120.40 116.64 1a5i s VAL 118 Ca 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 1a5i s VAL 118 Cb 0.03 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.70 1a5i s VAL 118 CO 0.19 0.14 0.79 -0.60 0.00 0.00 0.00 175.10 175.62 1a5i s ARG 119 N 1.88 0.74 0.71 2.72 3.52 -0.55 -0.58 118.95 127.38 1a5i s ARG 119 Ca 0.03 0.94 -0.13 0.00 -0.13 0.00 0.00 55.73 56.44 1a5i s ARG 119 Cb -0.14 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1a5i s ARG 119 CO -0.07 -0.10 1.11 0.00 -0.81 0.00 0.00 175.30 175.44 1a5i s ALA 120 N 0.58 2.32 0.25 6.12 0.00 -1.26 -2.35 121.76 127.42 1a5i s ALA 120 Ca -0.01 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1a5i s ALA 120 Cb -0.05 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1a5i s ALA 120 CO -0.04 -1.56 0.41 -1.50 0.00 0.00 0.00 175.76 173.07 1a5i s ILE 121 N -2.52 5.21 -0.08 0.00 1.10 -0.89 -2.20 121.20 121.84 1a5i s ILE 121 Ca 0.66 -0.65 -0.17 0.00 -0.51 0.00 0.00 60.65 59.97 1a5i s ILE 121 Cb -0.20 -3.81 -0.05 0.00 0.15 0.00 0.00 42.46 38.55 1a5i s ILE 121 CO 0.47 -0.32 0.45 0.00 -2.11 0.00 0.00 174.94 173.44 1a5i s LEU 123 N 0.04 4.62 0.82 0.00 1.43 -1.26 -0.45 118.68 123.87 1a5i s LEU 123 Ca 0.25 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1a5i s LEU 123 Cb -0.16 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.59 1a5i s LEU 123 CO 0.11 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.76 1a5i s PRO 124 N -1.00 1.92 0.58 1.29 0.04 -1.26 -4.88 135.00 131.70 1a5i s PRO 124 Ca 0.41 0.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 1a5i s PRO 124 Cb -0.25 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1a5i s PRO 124 CO 0.31 -1.76 0.93 -1.21 0.04 0.00 0.00 177.00 175.31 1a5i s GLU 125 N -5.07 3.26 0.27 4.56 0.41 -1.26 -4.95 118.70 115.91 1a5i s GLU 125 Ca 0.61 0.31 0.24 0.00 -0.41 0.00 0.00 54.97 55.72 1a5i s GLU 125 Cb -0.15 -2.22 1.00 0.00 -1.78 0.00 0.00 34.13 30.97 1a5i s GLU 125 CO 0.55 -0.57 1.72 0.00 -0.49 0.00 0.00 175.26 176.47 1a5i n ALA 126 N -2.59 1.66 1.20 5.21 0.00 -1.26 -2.28 120.51 122.44 1a5i n ALA 126 Ca 0.04 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.70 1a5i n ALA 126 Cb 0.56 -1.39 0.42 0.00 0.00 0.00 0.00 19.45 19.04 1a5i n ALA 126 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1a5i n ASN 127 N -2.27 0.66 -4.61 0.00 0.23 -1.26 -4.88 115.26 103.13 1a5i n ASN 127 Ca 0.02 -0.52 -0.43 0.00 -0.53 0.00 0.00 54.58 53.12 1a5i n ASN 127 Cb 0.23 0.06 -0.02 0.00 -2.08 0.00 0.00 39.78 37.97 1a5i n ASN 127 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1a5i s LEU 128 N -2.67 3.70 -0.33 -4.53 2.96 -0.97 -4.95 118.68 111.90 1a5i s LEU 128 Ca 0.21 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.48 1a5i s LEU 128 Cb 0.19 -3.53 0.11 0.00 0.50 0.00 0.00 46.19 43.46 1a5i s LEU 128 CO 0.56 -1.44 0.13 -1.58 -1.32 0.00 0.00 176.35 172.70 1a5i s GLN 129 N 5.05 0.69 0.55 1.98 0.74 -1.26 -4.96 119.66 122.45 1a5i s GLN 129 Ca 0.72 -1.15 -0.18 0.00 0.05 0.00 0.00 55.36 54.81 1a5i s GLN 129 Cb -0.22 -1.83 -0.05 0.00 1.10 0.00 0.00 33.01 32.00 1a5i s GLN 129 CO 0.31 -1.04 1.08 -0.51 -0.55 0.00 0.00 175.29 174.58 1a5i s LEU 130 N 1.46 3.67 0.36 3.68 1.43 -1.26 -4.99 118.68 123.02 1a5i s LEU 130 Ca 0.12 1.97 -0.28 0.00 -1.03 0.00 0.00 54.13 54.90 1a5i s LEU 130 Cb -0.19 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.37 1a5i s LEU 130 CO -0.21 -1.11 1.47 -2.84 0.23 0.00 0.00 176.35 173.89 1a5i s PRO 131 N -3.59 4.16 0.40 1.29 0.02 -1.26 -4.93 135.00 131.08 1a5i s PRO 131 Ca 0.68 2.50 -0.25 0.00 0.02 0.00 0.00 61.00 63.95 1a5i s PRO 131 Cb -0.19 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 31.23 1a5i s PRO 131 CO 0.29 -0.48 1.10 -0.25 -0.33 0.00 0.00 177.00 177.33 1a5i n ASP 132 N 0.77 1.72 0.00 2.53 8.00 -1.26 -1.71 116.55 126.60 1a5i n ASP 132 Ca 0.02 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1a5i n ASP 132 Cb 0.39 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 1a5i n ASP 132 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1a5i n TRP 133 N -0.26 0.00 -2.12 1.24 5.03 0.10 -4.97 117.44 116.47 1a5i n TRP 133 Ca 0.08 0.00 -0.39 0.00 3.03 0.00 0.00 57.50 60.22 1a5i n TRP 133 Cb 0.38 -0.19 -0.01 0.00 -1.03 0.00 0.00 31.31 30.46 1a5i n TRP 133 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 1a5i s THR 134 N -2.34 2.76 -0.07 -0.99 -1.32 -0.69 -4.60 115.64 108.39 1a5i s THR 134 Ca 0.00 0.69 -0.27 0.00 -1.21 0.00 0.00 61.69 60.90 1a5i s THR 134 Cb 0.00 -3.41 -0.03 0.00 -1.51 0.00 0.00 72.50 67.56 1a5i s THR 134 CO 0.00 0.10 0.87 -1.61 -2.21 0.00 0.00 174.62 171.77 1a5i s GLU 135 N -2.17 4.44 0.00 7.08 2.02 -1.26 -1.65 118.70 127.16 1a5i s GLU 135 Ca 0.56 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.71 1a5i s GLU 135 Cb -0.37 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1a5i s GLU 135 CO 0.47 -0.12 0.00 0.00 0.02 0.00 0.00 175.26 175.63 1a5i s GLU 137 N -1.82 0.86 0.06 0.00 2.02 0.93 -3.00 118.70 117.75 1a5i s GLU 137 Ca 0.00 -1.37 -0.07 0.00 0.02 0.00 0.00 54.97 53.55 1a5i s GLU 137 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.46 1a5i s GLU 137 CO 0.00 -0.23 0.13 -0.48 0.02 0.00 0.00 175.26 174.69 1a5i s LEU 138 N -3.01 1.70 0.13 1.80 0.05 -0.93 -0.96 118.68 117.45 1a5i s LEU 138 Ca 0.20 -0.63 -0.09 0.00 0.05 0.00 0.00 54.13 53.65 1a5i s LEU 138 Cb 0.07 0.76 -0.00 0.00 -2.05 0.00 0.00 46.19 44.97 1a5i s LEU 138 CO -0.01 -0.62 0.26 -0.94 -0.55 0.00 0.00 176.35 174.48 1a5i s SER 139 N -2.55 0.05 0.00 1.48 1.04 -1.23 -1.37 113.70 111.12 1a5i s SER 139 Ca 0.01 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1a5i s SER 139 Cb 0.03 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1a5i s SER 139 CO -0.08 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1a5i n GLY 140 N -0.15 0.64 0.36 7.32 0.00 -1.14 -4.43 105.19 107.79 1a5i n GLY 140 Ca -0.11 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.84 1a5i n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a5i n TYR 141 N -0.71 0.24 -0.26 1.61 4.02 -1.26 0.01 117.16 120.81 1a5i n TYR 141 Ca 0.00 -0.44 -0.24 0.00 -0.01 0.00 0.00 57.90 57.21 1a5i n TYR 141 Cb 0.00 -0.03 0.23 0.00 -0.02 0.00 0.00 39.34 39.52 1a5i n TYR 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5i n GLY 142 N 0.13 -3.80 3.49 2.72 0.00 -1.25 0.11 105.19 106.59 1a5i n GLY 142 Ca 0.06 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 1a5i n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a5i n LYS 143 N -4.96 -0.47 -0.12 1.61 5.02 0.11 -1.05 118.16 118.30 1a5i n LYS 143 Ca 0.11 -0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 1a5i n LYS 143 Cb 0.48 -2.01 -0.12 0.00 -0.02 0.00 0.00 35.03 33.36 1a5i n LYS 143 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1a5i n HIS 144 N -3.88 0.10 -4.40 2.13 8.25 -1.26 -4.49 115.22 111.67 1a5i n HIS 144 Ca 0.08 0.02 -0.23 0.00 -0.26 0.00 0.00 57.72 57.33 1a5i n HIS 144 Cb 0.54 -1.01 -0.13 0.00 1.12 0.00 0.00 29.99 30.50 1a5i n HIS 144 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1a5i s LYS 145 N -2.52 1.16 0.19 -0.41 1.02 -1.26 -4.97 119.74 112.94 1a5i s LYS 145 Ca -0.35 -1.02 -0.16 0.00 0.02 0.00 0.00 55.97 54.46 1a5i s LYS 145 Cb 0.10 -1.32 0.15 0.00 -0.52 0.00 0.00 37.83 36.23 1a5i s LYS 145 CO 0.60 0.32 1.64 1.03 -0.92 0.00 0.00 175.35 178.02 1a5i h SER 146 N 4.46 -0.54 -2.62 2.83 0.87 -1.92 -3.13 113.55 113.50 1a5i h SER 146 Ca -0.44 0.16 -0.75 0.00 -1.23 0.00 0.00 61.79 59.54 1a5i h SER 146 Cb 1.17 0.34 -0.20 0.00 -0.44 0.00 0.00 62.40 63.27 1a5i h SER 146 CO 0.41 -0.19 0.99 -0.94 -0.53 0.00 0.00 176.83 176.58 1a5i s SER 147 N -5.20 7.04 -0.16 6.23 1.04 -1.26 -4.91 113.70 116.48 1a5i s SER 147 Ca -0.14 -2.95 -0.13 0.00 0.48 0.00 0.00 55.95 53.21 1a5i s SER 147 Cb 0.16 -2.35 0.04 0.00 0.10 0.00 0.00 66.02 63.98 1a5i s SER 147 CO 0.72 -0.69 0.41 -0.55 0.98 0.00 0.00 173.24 174.11 1a5i s SER 148 N 2.59 -0.45 0.00 7.02 0.15 -1.18 -5.03 113.70 116.80 1a5i s SER 148 Ca 0.37 0.84 0.27 0.00 0.70 0.00 0.00 55.95 58.12 1a5i s SER 148 Cb -0.05 0.82 0.82 0.00 -1.71 0.00 0.00 66.02 65.90 1a5i s SER 148 CO -0.04 -0.15 1.63 -0.81 1.20 0.00 0.00 173.24 175.07 1a5i n PRO 149 N 3.16 0.16 -3.95 5.44 -0.04 -1.26 -4.91 135.00 133.59 1a5i n PRO 149 Ca -0.15 -0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 62.91 1a5i n PRO 149 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1a5i n PRO 149 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a5i s PHE 150 N -2.89 3.48 0.45 0.54 0.40 -1.26 -5.10 117.98 113.60 1a5i s PHE 150 Ca 0.15 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 1a5i s PHE 150 Cb 0.18 -1.80 -0.00 0.00 0.51 0.00 0.00 43.02 41.91 1a5i s PHE 150 CO 0.61 0.62 0.68 0.71 0.70 0.00 0.00 175.22 178.54 1a5i s TYR 151 N -1.31 3.20 0.53 0.36 2.02 -1.26 -4.28 117.35 116.61 1a5i s TYR 151 Ca 0.27 0.22 -0.21 0.00 -0.37 0.00 0.00 57.07 56.97 1a5i s TYR 151 Cb -0.12 -2.33 -0.05 0.00 -0.40 0.00 0.00 41.96 39.05 1a5i s TYR 151 CO 0.18 -0.38 1.26 0.45 -1.57 0.00 0.00 175.55 175.49 1a5i s SER 152 N -4.23 5.55 0.12 2.29 0.15 0.31 -4.83 113.70 113.06 1a5i s SER 152 Ca 0.49 2.52 0.23 0.00 0.70 0.00 0.00 55.95 59.89 1a5i s SER 152 Cb -0.10 -2.62 0.20 0.00 -1.71 0.00 0.00 66.02 61.79 1a5i s SER 152 CO 0.38 -1.36 1.19 1.21 1.20 0.00 0.00 173.24 175.86 1a5i n GLU 153 N -0.98 0.35 -4.13 5.44 4.07 -1.26 -4.61 120.64 119.52 1a5i n GLU 153 Ca 0.10 0.07 -0.10 0.00 -0.06 0.00 0.00 57.16 57.17 1a5i n GLU 153 Cb 0.47 -1.69 -0.10 0.00 -0.06 0.00 0.00 31.44 30.06 1a5i n GLU 153 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1a5i s GLN 154 N -3.21 0.72 0.13 5.31 0.74 -1.26 -1.88 119.66 120.20 1a5i s GLN 154 Ca 0.04 -1.23 -0.33 0.00 0.05 0.00 0.00 55.36 53.88 1a5i s GLN 154 Cb 0.13 -0.07 -0.13 0.00 1.10 0.00 0.00 33.01 34.04 1a5i s GLN 154 CO 0.76 -0.04 1.67 -0.11 -0.55 0.00 0.00 175.29 177.01 1a5i n LEU 155 N 0.17 3.38 -4.91 3.68 7.94 0.12 -4.72 117.00 122.65 1a5i n LEU 155 Ca -0.14 1.05 -0.31 0.00 -1.11 0.00 0.00 56.01 55.50 1a5i n LEU 155 Cb 0.60 -1.45 -0.04 0.00 0.53 0.00 0.00 43.42 43.06 1a5i n LEU 155 CO 0.28 -0.14 -0.06 -0.54 -1.11 0.00 0.00 177.39 175.83 1a5i s LYS 156 N 1.62 3.53 -0.09 1.96 1.02 0.10 -1.49 119.74 126.39 1a5i s LYS 156 Ca 0.81 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.55 1a5i s LYS 156 Cb -0.63 -2.95 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1a5i s LYS 156 CO 0.39 0.54 -0.10 -2.00 -0.92 0.00 0.00 175.35 173.26 1a5i s GLU 157 N -2.55 1.63 0.11 1.68 2.12 -0.87 -2.90 118.70 117.91 1a5i s GLU 157 Ca 0.38 -0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.46 1a5i s GLU 157 Cb -0.13 -1.51 -0.04 0.00 0.26 0.00 0.00 34.13 32.72 1a5i s GLU 157 CO 0.26 -0.12 -0.24 0.20 -0.54 0.00 0.00 175.26 174.81 1a5i s GLY 158 N 1.19 1.39 -0.22 -1.50 0.00 -0.47 -3.88 107.32 103.83 1a5i s GLY 158 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1a5i s GLY 158 CO -0.03 -1.31 -0.13 0.30 0.00 0.00 0.00 173.10 171.93 1a5i s HIS 159 N -1.06 2.96 0.17 1.90 3.76 -1.26 -2.19 115.29 119.56 1a5i s HIS 159 Ca 0.10 -1.69 0.01 0.00 -0.15 0.00 0.00 55.06 53.34 1a5i s HIS 159 Cb -0.10 -1.97 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 1a5i s HIS 159 CO 0.05 -0.78 0.05 1.33 -0.85 0.00 0.00 174.74 174.54 1a5i n VAL 160 N 4.61 0.00 -3.88 -0.90 0.24 -1.16 -4.39 118.33 112.85 1a5i n VAL 160 Ca -0.18 -0.95 -0.11 0.00 -2.04 0.00 0.00 64.34 61.05 1a5i n VAL 160 Cb 0.48 0.33 -0.11 0.00 -1.47 0.00 0.00 33.84 33.06 1a5i n VAL 160 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1a5i s ARG 161 N -2.64 0.28 -0.15 7.34 0.52 -0.63 -1.46 118.95 122.22 1a5i s ARG 161 Ca 0.07 -0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 54.78 1a5i s ARG 161 Cb 0.00 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 1a5i s ARG 161 CO 0.05 -0.06 1.76 -0.51 0.02 0.00 0.00 175.30 176.56 1a5i s LEU 162 N -0.77 4.00 0.47 2.53 2.01 -0.66 -2.22 118.68 124.04 1a5i s LEU 162 Ca -0.09 1.93 -0.20 0.00 0.01 0.00 0.00 54.13 55.79 1a5i s LEU 162 Cb -0.05 -3.53 -0.09 0.00 0.01 0.00 0.00 46.19 42.53 1a5i s LEU 162 CO 0.00 -1.26 1.01 -0.31 1.01 0.00 0.00 176.35 176.80 1a5i s TYR 163 N 5.29 3.11 0.83 0.29 1.51 -0.60 0.01 117.35 127.78 1a5i s TYR 163 Ca 0.78 1.58 -0.11 0.00 -1.01 0.00 0.00 57.07 58.31 1a5i s TYR 163 Cb -0.30 -2.99 0.09 0.00 -0.11 0.00 0.00 41.96 38.65 1a5i s TYR 163 CO 0.32 -0.61 1.09 -1.25 -1.11 0.00 0.00 175.55 173.99 1a5i s PRO 164 N -3.29 1.84 0.34 -1.71 0.04 -1.26 -4.75 135.00 126.21 1a5i s PRO 164 Ca 0.65 0.77 0.02 0.00 0.04 0.00 0.00 61.00 62.49 1a5i s PRO 164 Cb -0.14 -1.88 0.62 0.00 0.04 0.00 0.00 34.50 33.14 1a5i s PRO 164 CO 0.19 -1.83 2.00 0.77 0.04 0.00 0.00 177.00 178.17 1a5i h SER 165 N -1.25 0.76 0.00 6.66 0.02 -1.95 -1.88 113.55 115.91 1a5i h SER 165 Ca -0.47 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1a5i h SER 165 Cb 1.27 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1a5i h SER 165 CO 0.57 0.54 -0.00 0.28 -1.14 0.00 0.00 176.83 177.08 1a5i h SER 166 N 0.89 0.00 0.05 3.07 0.02 -2.04 -0.15 113.55 115.40 1a5i h SER 166 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1a5i h SER 166 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1a5i h SER 166 CO -0.06 0.00 -0.22 0.54 -1.14 0.00 0.00 176.83 175.95 1a5i n ARG 167 N -4.17 1.42 -3.37 3.45 5.12 -0.72 -4.55 116.66 113.84 1a5i n ARG 167 Ca -0.03 -1.03 -0.39 0.00 -1.93 0.00 0.00 57.85 54.47 1a5i n ARG 167 Cb 0.09 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.88 1a5i n ARG 167 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a5i s ALA 169 N -1.90 0.66 0.36 0.00 0.00 -1.26 -4.96 121.76 114.65 1a5i s ALA 169 Ca 0.31 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1a5i s ALA 169 Cb -0.02 1.10 0.66 0.00 0.00 0.00 0.00 23.12 24.86 1a5i s ALA 169 CO -0.04 -0.61 2.01 -1.00 0.00 0.00 0.00 175.76 176.12 1a5i h PRO 169 N 2.62 0.81 -1.06 0.00 0.13 -1.91 -2.22 132.00 130.37 1a5i h PRO 169 Ca -0.33 -0.05 0.28 0.00 -0.87 0.00 0.00 66.00 65.03 1a5i h PRO 169 Cb 1.23 -0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.09 1a5i h PRO 169 CO 0.51 0.53 0.69 -0.22 -0.23 0.00 0.00 178.00 179.29 1a5i h LYS 169 N 0.83 0.33 0.00 0.86 3.64 -1.91 0.83 116.57 121.15 1a5i h LYS 169 Ca 0.23 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 59.29 1a5i h LYS 169 Cb -0.07 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1a5i h LYS 169 CO -0.05 0.22 -1.94 1.19 -2.27 0.00 0.00 179.45 176.59 1a5i n PHE 170 N -4.58 0.60 -0.69 1.91 3.72 -0.94 -4.24 117.46 113.25 1a5i n PHE 170 Ca 0.26 0.22 -0.19 0.00 -0.05 0.00 0.00 57.45 57.69 1a5i n PHE 170 Cb 0.93 -1.09 0.09 0.00 -0.94 0.00 0.00 39.48 38.47 1a5i n PHE 170 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1a5i n LEU 171 N -2.90 6.03 -3.42 4.37 4.77 -0.18 -4.86 117.00 120.81 1a5i n LEU 171 Ca -0.22 -3.18 -0.17 0.00 -0.03 0.00 0.00 56.01 52.40 1a5i n LEU 171 Cb 1.06 -0.85 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1a5i n LEU 171 CO 0.44 1.04 0.06 0.49 -1.33 0.00 0.00 177.39 178.09 1a5i n PHE 172 N -0.38 -2.22 -1.11 -1.77 3.01 -0.79 -2.36 117.46 111.83 1a5i n PHE 172 Ca 0.40 0.90 -0.08 0.00 1.01 0.00 0.00 57.45 59.67 1a5i n PHE 172 Cb 1.01 -4.73 -0.04 0.00 -0.01 0.00 0.00 39.48 35.71 1a5i n PHE 172 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1a5i n ASN 173 N -3.13 -3.97 -4.83 4.37 3.02 0.27 -4.94 115.26 106.06 1a5i n ASN 173 Ca -0.23 0.21 -0.32 0.00 -0.03 0.00 0.00 54.58 54.20 1a5i n ASN 173 Cb 0.66 -3.12 -0.02 0.00 -0.61 0.00 0.00 39.78 36.68 1a5i n ASN 173 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a5i s LYS 174 N -2.44 3.78 0.10 3.52 -0.14 -1.00 -4.91 119.74 118.65 1a5i s LYS 174 Ca 0.00 1.07 -0.31 0.00 -1.36 0.00 0.00 55.97 55.37 1a5i s LYS 174 Cb 0.00 -2.11 -0.07 0.00 -1.68 0.00 0.00 37.83 33.98 1a5i s LYS 174 CO 0.00 -0.42 1.25 0.99 -0.76 0.00 0.00 175.35 176.41 1a5i s THR 175 N -2.50 3.74 -0.09 2.17 2.01 -1.26 -3.71 115.64 115.99 1a5i s THR 175 Ca 0.61 1.28 0.03 0.00 0.31 0.00 0.00 61.69 63.92 1a5i s THR 175 Cb -0.12 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.58 1a5i s THR 175 CO 0.31 0.12 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.49 1a5i s VAL 176 N 0.87 1.63 0.37 3.82 1.01 -1.26 -4.97 120.40 121.87 1a5i s VAL 176 Ca 0.59 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1a5i s VAL 176 Cb -0.32 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 1a5i s VAL 176 CO 0.31 0.46 0.07 0.42 0.00 0.00 0.00 175.10 176.36 1a5i s THR 177 N 0.63 2.44 -0.67 3.92 -4.23 -1.26 -4.94 115.64 111.53 1a5i s THR 177 Ca -0.14 -1.88 0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1a5i s THR 177 Cb -0.16 -2.90 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1a5i s THR 177 CO 0.04 -0.11 1.35 -3.20 -0.54 0.00 0.00 174.62 172.17 1a5i n ASN 178 N -1.05 0.26 -0.99 3.99 5.15 -1.26 -0.26 115.26 121.10 1a5i n ASN 178 Ca -0.03 0.61 0.12 0.00 -0.60 0.00 0.00 54.58 54.67 1a5i n ASN 178 Cb 0.64 -0.65 0.24 0.00 -0.53 0.00 0.00 39.78 39.48 1a5i n ASN 178 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1a5i n ASN 179 N -1.84 2.99 -4.57 1.20 3.02 -1.26 -4.93 115.26 109.87 1a5i n ASN 179 Ca 0.00 -1.93 -0.26 0.00 -0.03 0.00 0.00 54.58 52.37 1a5i n ASN 179 Cb 0.05 -0.19 -0.09 0.00 -0.61 0.00 0.00 39.78 38.94 1a5i n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a5i s MET 180 N -1.62 2.06 -0.09 3.52 -1.94 0.64 -0.30 119.30 121.57 1a5i s MET 180 Ca 0.36 -1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 52.97 1a5i s MET 180 Cb 0.21 -2.13 0.05 0.00 2.01 0.00 0.00 34.83 34.97 1a5i s MET 180 CO 0.30 0.41 0.20 -1.17 -0.01 0.00 0.00 175.02 174.75 1a5i s LEU 181 N -3.02 0.41 0.09 -0.03 0.20 0.99 -4.75 118.68 112.57 1a5i s LEU 181 Ca 0.26 0.42 -0.19 0.00 0.69 0.00 0.00 54.13 55.31 1a5i s LEU 181 Cb -0.08 0.53 -0.07 0.00 -0.43 0.00 0.00 46.19 46.14 1a5i s LEU 181 CO 0.16 -0.18 0.58 0.00 -0.29 0.00 0.00 176.35 176.62 1a5i s ALA 183 N -1.15 -1.31 0.11 0.00 0.00 -0.31 -1.56 121.76 117.54 1a5i s ALA 183 Ca 0.30 1.62 -0.25 0.00 0.00 0.00 0.00 51.96 53.63 1a5i s ALA 183 Cb -0.19 -0.95 0.08 0.00 0.00 0.00 0.00 23.12 22.05 1a5i s ALA 183 CO 0.19 -0.27 0.71 0.20 0.00 0.00 0.00 175.76 176.59 1a5i s GLY 184 N 0.75 -0.54 -0.06 0.00 0.00 -0.94 -0.45 107.32 106.08 1a5i s GLY 184 Ca -0.04 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 45.02 1a5i s GLY 184 CO -0.06 0.21 1.25 -0.35 0.00 0.00 0.00 173.10 174.15 1a5i s ASP 185 N -2.67 7.00 0.00 1.64 2.15 -1.24 -1.60 116.67 121.95 1a5i s ASP 185 Ca 0.03 1.85 0.25 0.00 0.43 0.00 0.00 52.55 55.11 1a5i s ASP 185 Cb -0.01 -2.56 0.45 0.00 -0.30 0.00 0.00 42.92 40.50 1a5i s ASP 185 CO -0.11 -0.64 1.37 0.35 -0.17 0.00 0.00 175.17 175.98 1a5i n THR 186 N 4.75 0.00 -2.22 1.71 -2.24 -1.26 -4.61 114.28 110.41 1a5i n THR 186 Ca 0.12 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1a5i n THR 186 Cb 0.45 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1a5i n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a5i s ARG 186 N -2.64 2.91 0.57 -0.78 0.52 -1.26 -4.96 118.95 113.30 1a5i s ARG 186 Ca 0.19 -0.66 0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1a5i s ARG 186 Cb 0.18 -5.18 0.07 0.00 0.52 0.00 0.00 34.95 30.54 1a5i s ARG 186 CO 0.60 -3.04 0.79 -1.12 0.02 0.00 0.00 175.30 172.55 1a5i s SER 186 N 6.89 5.09 0.00 0.23 0.01 -1.26 -4.68 113.70 119.98 1a5i s SER 186 Ca 0.62 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.46 1a5i s SER 186 Cb -0.04 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1a5i s SER 186 CO -0.02 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1a5i n GLY 186 N -2.32 1.39 2.71 3.44 0.00 -1.26 -4.98 105.19 104.17 1a5i n GLY 186 Ca 0.12 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1a5i n GLY 186 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a5i n GLU 186 N 0.00 0.00 0.00 1.61 1.02 -1.26 -4.73 120.64 117.28 1a5i n GLU 186 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1a5i n GLU 186 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1a5i n GLU 186 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1a5i n ILE 186 N -1.10 0.00 -1.73 -3.67 5.41 -1.26 -4.45 119.36 112.55 1a5i n ILE 186 Ca 0.08 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.41 1a5i n ILE 186 Cb 0.37 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.27 1a5i n ILE 186 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1a5i s TYR 186 N -4.23 2.89 0.37 1.39 2.02 -1.26 -4.92 117.35 113.60 1a5i s TYR 186 Ca 0.00 0.34 0.13 0.00 -0.37 0.00 0.00 57.07 57.17 1a5i s TYR 186 Cb 0.00 -4.14 0.75 0.00 -0.40 0.00 0.00 41.96 38.17 1a5i s TYR 186 CO 0.00 -4.32 1.83 -1.00 -1.57 0.00 0.00 175.55 170.49 1a5i h PRO 186 N 6.86 0.00 -6.20 -1.71 0.13 -1.88 -3.44 132.00 125.76 1a5i h PRO 186 Ca -0.43 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.03 1a5i h PRO 186 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1a5i h PRO 186 CO 0.96 0.36 -0.66 -0.80 -0.23 0.00 0.00 178.00 177.63 1a5i s ASN 186 N -6.90 5.00 0.22 1.44 0.02 -1.26 -4.52 114.94 108.94 1a5i s ASN 186 Ca -0.03 -0.05 0.06 0.00 -1.02 0.00 0.00 52.86 51.82 1a5i s ASN 186 Cb 0.14 -1.27 -0.03 0.00 0.02 0.00 0.00 41.25 40.11 1a5i s ASN 186 CO 0.72 0.27 0.24 0.68 0.02 0.00 0.00 177.10 179.04 1a5i s VAL 187 N -1.08 4.78 0.32 1.60 -7.23 0.36 -4.96 120.40 114.19 1a5i s VAL 187 Ca 0.19 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1a5i s VAL 187 Cb -0.11 -3.56 -0.13 0.00 0.56 0.00 0.00 36.38 33.14 1a5i s VAL 187 CO 0.10 -0.28 1.32 1.41 -0.31 0.00 0.00 175.10 177.34 1a5i n HIS 188 N -1.06 2.26 -3.61 2.82 -0.00 -1.26 -4.22 115.22 110.15 1a5i n HIS 188 Ca -0.08 0.52 -0.02 0.00 -0.00 0.00 0.00 57.72 58.14 1a5i n HIS 188 Cb 0.57 -2.43 -0.01 0.00 -0.00 0.00 0.00 29.99 28.11 1a5i n HIS 188 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1a5i s ASP 189 N -0.16 -0.09 0.24 0.41 2.15 -1.26 -3.63 116.67 114.33 1a5i s ASP 189 Ca 0.58 -0.04 -0.07 0.00 0.43 0.00 0.00 52.55 53.45 1a5i s ASP 189 Cb -0.58 0.12 -0.06 0.00 -0.30 0.00 0.00 42.92 42.09 1a5i s ASP 189 CO 0.59 -0.21 0.52 0.00 -0.17 0.00 0.00 175.17 175.90 1a5i s ALA 190 N -2.34 3.62 0.00 3.66 0.00 -1.26 -4.85 121.76 120.59 1a5i s ALA 190 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1a5i s ALA 190 Cb 0.01 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1a5i s ALA 190 CO -0.04 0.45 0.00 0.00 0.00 0.00 0.00 175.76 176.17 1a5i s GLN 192 N -1.31 4.16 0.00 0.00 1.11 -1.26 -2.22 119.66 120.14 1a5i s GLN 192 Ca 0.00 2.50 0.00 0.00 0.01 0.00 0.00 55.36 57.87 1a5i s GLN 192 Cb 0.00 -3.10 0.00 0.00 -1.01 0.00 0.00 33.01 28.90 1a5i s GLN 192 CO 0.00 -0.66 0.00 0.41 0.01 0.00 0.00 175.29 175.05 1a5i n GLY 193 N 3.50 0.90 0.12 3.09 0.00 -1.26 0.08 105.19 111.61 1a5i n GLY 193 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1a5i n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5i h ASP 194 N 0.00 0.00 -1.31 1.61 3.32 -1.81 -3.32 116.42 114.92 1a5i h ASP 194 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1a5i h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1a5i h ASP 194 CO 0.00 0.31 -0.62 -1.20 -1.72 0.00 0.00 179.24 176.01 1a5i n SER 195 N -2.88 -1.58 0.00 6.45 7.64 -1.26 -0.76 113.62 121.22 1a5i n SER 195 Ca -0.03 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1a5i n SER 195 Cb 0.69 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1a5i n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5i n GLY 196 N 2.05 2.34 3.79 0.23 0.00 -0.28 -1.72 105.19 111.60 1a5i n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1a5i n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a5i s GLY 197 N -1.96 1.58 0.47 -0.02 0.00 0.06 -3.43 107.32 104.01 1a5i s GLY 197 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 1a5i s GLY 197 CO 0.00 0.03 0.73 2.56 0.00 0.00 0.00 173.10 176.42 1a5i s PRO 198 N -5.28 3.30 -0.35 2.90 0.04 -1.26 -0.84 135.00 133.51 1a5i s PRO 198 Ca 0.64 -0.11 -0.00 0.00 0.04 0.00 0.00 61.00 61.56 1a5i s PRO 198 Cb -0.15 -2.46 0.12 0.00 0.04 0.00 0.00 34.50 32.06 1a5i s PRO 198 CO 0.53 -0.24 0.18 -1.17 0.04 0.00 0.00 177.00 176.34 1a5i s LEU 199 N -4.66 1.65 -0.11 -3.56 2.96 -0.86 -3.56 118.68 110.54 1a5i s LEU 199 Ca 0.47 -2.01 -0.05 0.00 -0.22 0.00 0.00 54.13 52.33 1a5i s LEU 199 Cb -0.10 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 1a5i s LEU 199 CO 0.41 -0.35 0.08 0.68 -1.32 0.00 0.00 176.35 175.86 1a5i s VAL 200 N 1.20 5.00 0.01 1.68 -7.23 -0.14 -0.71 120.40 120.22 1a5i s VAL 200 Ca 0.14 0.02 0.06 0.00 -1.81 0.00 0.00 61.98 60.39 1a5i s VAL 200 Cb -0.21 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.56 1a5i s VAL 200 CO -0.12 0.61 -0.17 0.00 -0.31 0.00 0.00 175.10 175.10 1a5i s MET 202 N -0.74 4.52 -0.18 0.00 1.75 -1.26 -1.01 119.30 122.38 1a5i s MET 202 Ca 0.06 1.74 -0.07 0.00 -1.25 0.00 0.00 55.69 56.17 1a5i s MET 202 Cb -0.07 -3.30 0.08 0.00 2.84 0.00 0.00 34.83 34.37 1a5i s MET 202 CO 0.00 -0.06 0.39 1.21 -0.65 0.00 0.00 175.02 175.91 1a5i s ASN 203 N 0.37 -0.21 -1.50 1.11 2.47 -0.60 -4.89 114.94 111.69 1a5i s ASN 203 Ca 0.53 0.90 -0.01 0.00 0.42 0.00 0.00 52.86 54.71 1a5i s ASN 203 Cb -0.29 1.13 0.00 0.00 -1.45 0.00 0.00 41.25 40.63 1a5i s ASN 203 CO 0.33 -0.22 0.08 -0.67 -3.72 0.00 0.00 177.10 172.90 1a5i n ASP 204 N 5.16 -5.27 -0.66 -4.21 -0.08 -1.26 -2.27 116.55 107.95 1a5i n ASP 204 Ca -0.11 -0.05 -0.09 0.00 -1.51 0.00 0.00 54.79 53.03 1a5i n ASP 204 Cb 0.51 -4.31 -0.04 0.00 2.34 0.00 0.00 41.12 39.62 1a5i n ASP 204 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1a5i n ASN 205 N -1.50 -4.07 -3.88 1.67 4.13 -1.26 -5.02 115.26 105.33 1a5i n ASN 205 Ca -0.20 0.21 -0.13 0.00 1.68 0.00 0.00 54.58 56.15 1a5i n ASN 205 Cb 0.65 -2.33 -0.14 0.00 -1.54 0.00 0.00 39.78 36.42 1a5i n ASN 205 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1a5i s HIS 206 N -2.31 0.11 0.04 3.10 3.76 -0.96 -4.93 115.29 114.09 1a5i s HIS 206 Ca 0.00 -0.01 -0.31 0.00 -0.15 0.00 0.00 55.06 54.59 1a5i s HIS 206 Cb 0.00 -0.09 -0.07 0.00 1.11 0.00 0.00 32.58 33.54 1a5i s HIS 206 CO 0.00 -0.01 1.47 -1.64 -0.85 0.00 0.00 174.74 173.71 1a5i s MET 207 N 0.06 4.26 -0.05 1.40 -1.94 -0.46 -1.56 119.30 121.01 1a5i s MET 207 Ca -0.00 2.09 0.02 0.00 -1.71 0.00 0.00 55.69 56.09 1a5i s MET 207 Cb -0.01 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.28 1a5i s MET 207 CO -0.00 -0.60 -0.09 0.99 -0.01 0.00 0.00 175.02 175.31 1a5i s THR 208 N 2.22 3.51 -0.02 2.05 2.01 -0.18 -3.17 115.64 122.07 1a5i s THR 208 Ca 0.67 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1a5i s THR 208 Cb -0.35 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 1a5i s THR 208 CO 0.29 0.57 1.02 -0.22 -0.69 0.00 0.00 174.62 175.59 1a5i s LEU 209 N -0.85 4.34 -0.07 4.42 2.96 0.40 -1.56 118.68 128.32 1a5i s LEU 209 Ca 0.13 1.68 0.05 0.00 -0.22 0.00 0.00 54.13 55.77 1a5i s LEU 209 Cb -0.11 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 1a5i s LEU 209 CO 0.02 -0.33 0.00 -0.11 -1.32 0.00 0.00 176.35 174.61 1a5i n LEU 210 N 4.17 0.64 -3.69 -0.68 7.94 0.11 -4.03 117.00 121.46 1a5i n LEU 210 Ca 0.07 -0.01 -0.10 0.00 -1.11 0.00 0.00 56.01 54.86 1a5i n LEU 210 Cb 0.50 0.07 -0.04 0.00 0.53 0.00 0.00 43.42 44.48 1a5i n LEU 210 CO 0.53 0.27 0.27 -0.83 -1.11 0.00 0.00 177.39 176.51 1a5i s GLY 211 N -4.03 -0.18 -0.11 -3.96 0.00 -1.11 -3.24 107.32 94.68 1a5i s GLY 211 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1a5i s GLY 211 CO 0.26 -0.23 -0.12 -0.42 0.00 0.00 0.00 173.10 172.59 1a5i s ILE 212 N -3.85 3.16 -0.18 0.90 1.01 -0.84 -2.03 121.20 119.37 1a5i s ILE 212 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 1a5i s ILE 212 Cb -0.00 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 1a5i s ILE 212 CO -0.05 0.54 2.15 -0.38 0.00 0.00 0.00 174.94 177.19 1a5i n ILE 213 N 3.21 0.42 0.00 2.92 5.41 -0.02 -1.09 119.36 130.21 1a5i n ILE 213 Ca -0.18 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.22 1a5i n ILE 213 Cb 0.53 -2.34 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 1a5i n ILE 213 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1a5i n SER 214 N 10.27 0.00 -3.41 4.38 2.88 -1.21 -1.13 113.62 125.40 1a5i n SER 214 Ca 0.29 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.69 1a5i n SER 214 Cb 0.40 -0.30 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1a5i n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a5i s TRP 215 N -0.90 1.02 0.00 0.66 1.48 -0.96 -4.90 118.94 115.35 1a5i s TRP 215 Ca 0.00 -1.25 0.00 0.00 -1.06 0.00 0.00 56.10 53.79 1a5i s TRP 215 Cb 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 33.47 32.19 1a5i s TRP 215 CO 0.00 -1.07 0.00 0.41 -4.06 0.00 0.00 176.95 172.23 1a5i n GLY 216 N -0.52 1.09 3.46 3.67 0.00 -1.26 -1.29 105.19 110.34 1a5i n GLY 216 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1a5i n GLY 216 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a5i s VAL 217 N -1.59 4.40 0.00 1.61 1.01 -1.26 -4.87 120.40 119.70 1a5i s VAL 217 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1a5i s VAL 217 Cb 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1a5i s VAL 217 CO 0.00 -1.53 0.00 0.61 0.00 0.00 0.00 175.10 174.18 1a5i n GLY 219 N 5.51 -0.76 3.48 4.51 0.00 -1.26 -4.87 105.19 111.79 1a5i n GLY 219 Ca 0.08 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 1a5i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5i n GLY 221 N 5.44 0.98 3.73 0.00 0.00 -1.26 -4.67 105.19 109.40 1a5i n GLY 221 Ca -0.09 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1a5i n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a5i s GLU 221 N -3.56 4.42 0.13 1.61 0.41 -1.26 -0.49 118.70 119.96 1a5i s GLU 221 Ca 0.00 1.91 -0.34 0.00 -0.41 0.00 0.00 54.97 56.13 1a5i s GLU 221 Cb 0.00 -3.27 -0.14 0.00 -1.78 0.00 0.00 34.13 28.94 1a5i s GLU 221 CO 0.00 -0.24 1.58 1.63 -0.49 0.00 0.00 175.26 177.74 1a5i n LYS 222 N 3.27 2.05 -1.14 1.61 5.02 -1.26 -2.46 118.16 125.26 1a5i n LYS 222 Ca 0.08 0.74 -0.05 0.00 -2.02 0.00 0.00 58.31 57.06 1a5i n LYS 222 Cb 0.44 -2.50 -0.02 0.00 -0.02 0.00 0.00 35.03 32.93 1a5i n LYS 222 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1a5i n ASP 223 N 3.57 -4.50 -4.20 4.39 8.00 -1.26 -5.00 116.55 117.56 1a5i n ASP 223 Ca 0.18 0.12 -0.35 0.00 0.71 0.00 0.00 54.79 55.44 1a5i n ASP 223 Cb 0.28 -2.41 -0.13 0.00 -0.02 0.00 0.00 41.12 38.83 1a5i n ASP 223 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1a5i s VAL 224 N -1.87 3.15 0.55 2.53 1.01 -1.03 -5.10 120.40 119.65 1a5i s VAL 224 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 1a5i s VAL 224 Cb 0.00 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 1a5i s VAL 224 CO 0.00 -0.09 1.06 -2.16 0.00 0.00 0.00 175.10 173.90 1a5i s PRO 225 N 1.29 3.51 0.27 2.72 0.04 -1.26 -4.68 135.00 136.89 1a5i s PRO 225 Ca -0.04 1.31 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1a5i s PRO 225 Cb -0.19 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1a5i s PRO 225 CO -0.00 -0.67 0.70 0.20 0.04 0.00 0.00 177.00 177.27 1a5i s GLY 226 N -2.35 2.43 -0.12 0.56 0.00 0.41 -4.79 107.32 103.45 1a5i s GLY 226 Ca 0.66 0.04 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 1a5i s GLY 226 CO 0.29 0.30 0.19 0.14 0.00 0.00 0.00 173.10 174.01 1a5i s VAL 227 N -1.78 5.41 0.12 1.40 1.01 -0.41 -1.16 120.40 125.00 1a5i s VAL 227 Ca 0.49 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1a5i s VAL 227 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1a5i s VAL 227 CO 0.19 0.57 -0.11 -0.31 0.00 0.00 0.00 175.10 175.44 1a5i s TYR 228 N -0.68 1.21 0.04 5.22 1.51 0.47 -2.28 117.35 122.85 1a5i s TYR 228 Ca 0.15 -0.68 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 1a5i s TYR 228 Cb -0.13 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1a5i s TYR 228 CO 0.04 0.06 1.06 0.99 -1.11 0.00 0.00 175.55 176.60 1a5i s THR 229 N -2.74 4.49 -0.95 -0.71 2.01 -0.25 -0.01 115.64 117.49 1a5i s THR 229 Ca 0.11 1.82 -0.24 0.00 0.31 0.00 0.00 61.69 63.69 1a5i s THR 229 Cb -0.01 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.36 1a5i s THR 229 CO 0.01 0.16 1.51 -0.75 -0.69 0.00 0.00 174.62 174.86 1a5i s LYS 230 N 0.88 3.35 0.40 4.92 2.20 0.59 -2.00 119.74 130.08 1a5i s LYS 230 Ca 0.54 -0.82 0.16 0.00 -0.36 0.00 0.00 55.97 55.49 1a5i s LYS 230 Cb -0.25 -5.12 1.03 0.00 -1.51 0.00 0.00 37.83 31.99 1a5i s LYS 230 CO 0.29 -2.39 1.83 0.28 -0.36 0.00 0.00 175.35 175.00 1a5i h VAL 231 N 6.76 0.65 0.00 4.02 2.07 -1.86 -0.04 116.25 127.85 1a5i h VAL 231 Ca 0.10 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1a5i h VAL 231 Cb 1.02 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1a5i h VAL 231 CO 1.37 0.08 -0.03 0.71 0.02 0.00 0.00 177.57 179.72 1a5i h THR 232 N 0.47 0.26 0.00 2.57 1.35 -1.90 0.98 112.91 116.64 1a5i h THR 232 Ca 0.51 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 1a5i h THR 232 Cb 1.20 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1a5i h THR 232 CO -0.23 0.03 0.00 0.59 -0.25 0.00 0.00 175.52 175.66 1a5i n ASN 233 N -3.38 0.21 -0.31 5.36 4.13 -0.03 -3.87 115.26 117.37 1a5i n ASN 233 Ca -0.02 0.53 0.09 0.00 1.68 0.00 0.00 54.58 56.86 1a5i n ASN 233 Cb 0.16 -0.58 0.17 0.00 -1.54 0.00 0.00 39.78 37.99 1a5i n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a5i n TYR 234 N -1.71 0.26 0.08 3.10 4.01 0.33 -4.64 117.16 118.60 1a5i n TYR 234 Ca 0.06 -0.98 -0.03 0.00 -0.16 0.00 0.00 57.90 56.79 1a5i n TYR 234 Cb 0.33 -0.20 0.19 0.00 -0.31 0.00 0.00 39.34 39.35 1a5i n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1a5i h LEU 235 N 0.51 0.30 0.57 7.72 3.38 -1.66 -0.98 115.31 125.16 1a5i h LEU 235 Ca 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1a5i h LEU 235 Cb 1.13 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1a5i h LEU 235 CO 0.06 0.71 -0.28 1.23 0.09 0.00 0.00 178.44 180.26 1a5i h GLY 236 N 1.25 -0.80 -0.05 0.83 0.00 -1.88 -0.37 103.07 102.05 1a5i h GLY 236 Ca 0.02 0.30 0.16 0.00 0.00 0.00 0.00 47.33 47.80 1a5i h GLY 236 CO 0.07 -0.29 0.19 -0.25 0.00 0.00 0.00 176.54 176.26 1a5i h TRP 237 N -1.14 0.30 0.42 5.60 7.01 -1.85 -1.73 115.95 124.56 1a5i h TRP 237 Ca -0.08 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1a5i h TRP 237 Cb 0.63 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 1a5i h TRP 237 CO 0.01 -0.07 -0.20 0.82 -2.79 0.00 0.00 178.44 176.20 1a5i h ILE 238 N 0.29 0.57 -0.94 2.65 2.04 -1.16 -2.36 117.51 118.60 1a5i h ILE 238 Ca 0.41 -0.31 0.27 0.00 1.00 0.00 0.00 64.86 66.23 1a5i h ILE 238 Cb 0.70 0.72 -0.14 0.00 -0.74 0.00 0.00 36.82 37.36 1a5i h ILE 238 CO -0.50 0.06 0.40 -0.09 0.00 0.00 0.00 178.15 178.01 1a5i h ARG 239 N -0.75 0.28 0.00 2.37 2.43 -0.22 0.39 114.38 118.88 1a5i h ARG 239 Ca -0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1a5i h ARG 239 Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1a5i h ARG 239 CO 0.09 0.19 0.00 -0.25 -1.51 0.00 0.00 179.97 178.49 1a5i n ASP 240 N -5.13 0.00 0.31 -3.80 9.92 -0.73 -3.69 116.55 113.44 1a5i n ASP 240 Ca 0.26 0.21 0.02 0.00 -0.53 0.00 0.00 54.79 54.75 1a5i n ASP 240 Cb 0.80 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.39 1a5i n ASP 240 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1a5i h ASN 241 N 0.00 0.00 -3.15 -2.24 2.35 -1.30 -3.33 115.58 107.90 1a5i h ASN 241 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1a5i h ASN 241 Cb 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.28 1a5i h ASN 241 CO 0.00 0.00 -0.32 -0.32 -1.65 0.00 0.00 177.43 175.14 1a5i s MET 242 N -3.91 4.08 -0.20 0.81 1.75 0.14 -5.01 119.30 116.95 1a5i s MET 242 Ca -0.00 0.12 -0.29 0.00 -1.25 0.00 0.00 55.69 54.27 1a5i s MET 242 Cb 0.01 -3.35 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 1a5i s MET 242 CO 0.04 0.40 1.91 -1.01 -0.65 0.00 0.00 175.02 175.70 1a5i s HIS 243 N -0.03 1.60 0.00 4.11 3.76 -1.25 -4.75 115.29 118.73 1a5i s HIS 243 Ca 0.18 0.40 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1a5i s HIS 243 Cb -0.14 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.52 1a5i s HIS 243 CO 0.06 -3.74 0.00 1.28 -0.85 0.00 0.00 174.74 171.48