#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8d s PHE 2 N 0.00 2.18 -0.24 3.17 0.40 -0.40 0.22 117.98 123.32 1i8d s PHE 2 Ca 0.00 -0.38 0.21 0.00 -0.60 0.00 0.00 56.93 56.16 1i8d s PHE 2 Cb 0.00 -1.05 -0.31 0.00 0.51 0.00 0.00 43.02 42.17 1i8d s PHE 2 CO 0.00 0.51 0.56 0.25 0.70 0.00 0.00 175.22 177.24 1i8d n THR 3 N 0.05 0.00 -0.35 0.64 -2.24 -1.26 0.32 114.28 111.44 1i8d n THR 3 Ca -0.11 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1i8d n THR 3 Cb 0.57 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1i8d n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i8d n GLY 4 N 1.33 0.72 3.30 3.38 0.00 -1.25 0.23 105.19 112.89 1i8d n GLY 4 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 1i8d n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i8d s ILE 5 N -2.52 5.18 0.22 -0.61 -1.09 -1.26 -1.89 121.20 119.23 1i8d s ILE 5 Ca 0.00 -1.87 -0.32 0.00 -2.23 0.00 0.00 60.65 56.23 1i8d s ILE 5 Cb 0.00 -4.29 -0.12 0.00 -1.58 0.00 0.00 42.46 36.47 1i8d s ILE 5 CO 0.00 -0.91 1.65 0.52 -1.23 0.00 0.00 174.94 174.97 1i8d n VAL 6 N 4.77 0.29 1.01 2.92 0.31 -1.26 -4.90 118.33 121.46 1i8d n VAL 6 Ca -0.04 -0.07 0.13 0.00 -0.01 0.00 0.00 64.34 64.34 1i8d n VAL 6 Cb 0.42 -1.86 0.35 0.00 -0.91 0.00 0.00 33.84 31.84 1i8d n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i8d n GLN 7 N 3.34 0.02 -3.98 5.55 6.02 -0.55 -5.01 117.38 122.76 1i8d n GLN 7 Ca 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1i8d n GLN 7 Cb 0.34 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1i8d n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i8d n GLY 8 N 1.50 -2.55 3.24 1.08 0.00 -1.07 -4.99 105.19 102.40 1i8d n GLY 8 Ca 0.06 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 1i8d n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i8d s THR 9 N -2.24 1.59 0.02 2.61 -4.23 -1.26 -1.21 115.64 110.92 1i8d s THR 9 Ca 0.00 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1i8d s THR 9 Cb 0.00 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 1i8d s THR 9 CO 0.00 0.15 -0.06 0.00 -0.54 0.00 0.00 174.62 174.17 1i8d s ALA 10 N -0.85 0.45 0.05 3.99 0.00 -0.21 -4.48 121.76 120.71 1i8d s ALA 10 Ca 0.06 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 1i8d s ALA 10 Cb -0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 1i8d s ALA 10 CO 0.02 0.01 0.47 0.21 0.00 0.00 0.00 175.76 176.48 1i8d s LYS 11 N -0.97 3.99 -0.48 0.00 2.20 -1.20 -1.59 119.74 121.70 1i8d s LYS 11 Ca -0.06 0.50 -0.28 0.00 -0.36 0.00 0.00 55.97 55.77 1i8d s LYS 11 Cb -0.07 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1i8d s LYS 11 CO 0.00 0.64 1.08 -1.17 -0.36 0.00 0.00 175.35 175.54 1i8d s LEU 12 N -1.28 3.73 0.02 5.43 0.20 0.08 -0.91 118.68 125.94 1i8d s LEU 12 Ca 0.28 0.32 0.22 0.00 0.69 0.00 0.00 54.13 55.64 1i8d s LEU 12 Cb -0.17 -3.41 -0.17 0.00 -0.43 0.00 0.00 46.19 42.01 1i8d s LEU 12 CO 0.16 -1.22 0.79 1.33 -0.29 0.00 0.00 176.35 177.12 1i8d n VAL 13 N 6.71 0.09 -3.60 1.68 0.24 -0.13 0.13 118.33 123.44 1i8d n VAL 13 Ca 0.10 -0.29 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 1i8d n VAL 13 Cb 0.49 0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 33.09 1i8d n VAL 13 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1i8d s SER 14 N -3.99 -0.71 -0.19 -1.34 0.15 -0.95 -4.86 113.70 101.82 1i8d s SER 14 Ca 0.00 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.87 1i8d s SER 14 Cb 0.14 1.19 0.05 0.00 -1.71 0.00 0.00 66.02 65.70 1i8d s SER 14 CO 0.86 -0.33 -0.03 -0.63 1.20 0.00 0.00 173.24 174.31 1i8d s ILE 15 N -0.04 1.05 -0.46 6.45 1.01 -1.25 0.32 121.20 128.28 1i8d s ILE 15 Ca -0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 1i8d s ILE 15 Cb -0.04 -1.33 0.09 0.00 0.01 0.00 0.00 42.46 41.19 1i8d s ILE 15 CO 0.03 -0.02 0.35 -1.81 0.00 0.00 0.00 174.94 173.49 1i8d s ASP 16 N 1.64 5.91 0.10 3.58 1.01 0.14 -4.92 116.67 124.12 1i8d s ASP 16 Ca -0.01 -1.51 -0.27 0.00 0.71 0.00 0.00 52.55 51.47 1i8d s ASP 16 Cb -0.17 -2.09 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1i8d s ASP 16 CO -0.07 -0.63 0.85 -1.61 0.21 0.00 0.00 175.17 173.91 1i8d s GLU 17 N 1.52 4.60 0.33 8.23 0.41 -1.26 -0.83 118.70 131.70 1i8d s GLU 17 Ca 0.04 1.24 0.03 0.00 -0.41 0.00 0.00 54.97 55.87 1i8d s GLU 17 Cb -0.25 -3.35 -0.05 0.00 -1.78 0.00 0.00 34.13 28.70 1i8d s GLU 17 CO 0.04 0.31 0.08 0.15 -0.49 0.00 0.00 175.26 175.35 1i8d s LYS 18 N -0.26 1.68 0.01 1.61 -0.14 -0.83 -5.00 119.74 116.81 1i8d s LYS 18 Ca 0.41 -1.96 -0.22 0.00 -1.36 0.00 0.00 55.97 52.84 1i8d s LYS 18 Cb -0.22 -0.69 -0.17 0.00 -1.68 0.00 0.00 37.83 35.07 1i8d s LYS 18 CO 0.26 -0.28 1.28 -1.35 -0.76 0.00 0.00 175.35 174.50 1i8d h PRO 19 N 2.08 0.24 0.00 -1.68 0.11 -2.02 -3.35 132.00 127.38 1i8d h PRO 19 Ca -0.39 -0.14 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1i8d h PRO 19 Cb 1.25 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1i8d h PRO 19 CO 0.65 0.70 -1.48 0.09 -0.21 0.00 0.00 178.00 177.75 1i8d n ASN 20 N -4.63 0.63 -0.97 -2.05 3.02 -1.26 -4.93 115.26 105.07 1i8d n ASN 20 Ca -0.07 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1i8d n ASN 20 Cb 0.35 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 1i8d n ASN 20 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1i8d n PHE 21 N -2.70 -0.18 -3.71 3.10 -1.74 -1.26 -1.97 117.46 109.01 1i8d n PHE 21 Ca -0.08 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.67 1i8d n PHE 21 Cb 0.73 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.65 1i8d n PHE 21 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 1i8d s ARG 22 N -1.92 0.74 -0.19 3.97 3.52 -0.31 -1.96 118.95 122.81 1i8d s ARG 22 Ca 0.00 -0.05 -0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1i8d s ARG 22 Cb 0.00 0.34 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 1i8d s ARG 22 CO 0.00 -0.21 -0.15 0.99 -0.81 0.00 0.00 175.30 175.12 1i8d s THR 23 N -1.21 2.46 -0.17 4.11 2.01 -0.01 0.77 115.64 123.60 1i8d s THR 23 Ca -0.12 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 1i8d s THR 23 Cb -0.04 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1i8d s THR 23 CO 0.05 0.51 0.00 -1.00 -0.69 0.00 0.00 174.62 173.49 1i8d s HIS 24 N 1.30 3.10 -0.18 4.92 3.76 -0.43 0.27 115.29 128.02 1i8d s HIS 24 Ca 0.04 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.71 1i8d s HIS 24 Cb -0.14 -2.03 -0.01 0.00 1.11 0.00 0.00 32.58 31.51 1i8d s HIS 24 CO -0.09 -0.02 -0.06 0.08 -0.85 0.00 0.00 174.74 173.80 1i8d s VAL 25 N 0.52 3.44 0.29 -0.90 1.01 0.15 -1.95 120.40 122.95 1i8d s VAL 25 Ca -0.01 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.59 1i8d s VAL 25 Cb -0.14 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1i8d s VAL 25 CO 0.02 0.46 -0.12 0.68 0.00 0.00 0.00 175.10 176.15 1i8d s VAL 26 N 0.96 2.73 -0.40 2.92 -7.23 0.23 -0.96 120.40 118.65 1i8d s VAL 26 Ca -0.00 -2.21 -0.11 0.00 -1.81 0.00 0.00 61.98 57.84 1i8d s VAL 26 Cb -0.15 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.31 1i8d s VAL 26 CO 0.00 -0.35 0.25 -0.70 -0.31 0.00 0.00 175.10 173.99 1i8d s GLU 27 N -3.59 2.79 0.10 4.82 2.12 -0.09 -0.36 118.70 124.49 1i8d s GLU 27 Ca 0.31 -1.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.24 1i8d s GLU 27 Cb -0.04 -3.80 -0.07 0.00 0.26 0.00 0.00 34.13 30.48 1i8d s GLU 27 CO 0.17 -0.80 0.61 -0.51 -0.54 0.00 0.00 175.26 174.19 1i8d s LEU 28 N 1.54 4.53 0.13 2.70 1.43 -0.42 -3.22 118.68 125.37 1i8d s LEU 28 Ca 0.02 1.33 -0.35 0.00 -1.03 0.00 0.00 54.13 54.11 1i8d s LEU 28 Cb -0.21 -3.01 -0.15 0.00 0.03 0.00 0.00 46.19 42.85 1i8d s LEU 28 CO 0.06 0.25 1.42 -2.65 0.23 0.00 0.00 176.35 175.65 1i8d n PRO 29 N 1.63 1.57 -0.36 1.29 -0.02 -1.26 -4.79 135.00 133.06 1i8d n PRO 29 Ca -0.09 0.57 0.27 0.00 -2.02 0.00 0.00 63.50 62.23 1i8d n PRO 29 Cb 0.50 -2.24 0.56 0.00 -0.02 0.00 0.00 33.50 32.30 1i8d n PRO 29 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1i8d h ASP 30 N 4.92 0.37 0.22 2.55 5.19 -1.95 0.64 116.42 128.37 1i8d h ASP 30 Ca -0.46 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1i8d h ASP 30 Cb 1.30 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1i8d h ASP 30 CO 0.81 -0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.93 1i8d n HIS 31 N -4.64 0.16 -0.12 4.55 1.44 -1.26 -1.54 115.22 113.81 1i8d n HIS 31 Ca 0.29 0.08 0.12 0.00 -2.01 0.00 0.00 57.72 56.19 1i8d n HIS 31 Cb 1.05 -0.62 0.29 0.00 0.12 0.00 0.00 29.99 30.84 1i8d n HIS 31 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1i8d n MET 32 N -1.66 2.63 -0.02 -1.40 2.81 0.22 -4.56 117.12 115.14 1i8d n MET 32 Ca 0.01 -2.51 -0.11 0.00 -1.81 0.00 0.00 57.70 53.28 1i8d n MET 32 Cb 0.08 -1.55 -0.14 0.00 -0.71 0.00 0.00 33.22 30.90 1i8d n MET 32 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1i8d n LEU 33 N 1.58 1.15 -4.64 4.03 4.77 -0.59 -4.63 117.00 118.68 1i8d n LEU 33 Ca 0.23 0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 56.13 1i8d n LEU 33 Cb 0.61 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1i8d n LEU 33 CO 0.16 0.48 1.45 -0.62 -1.33 0.00 0.00 177.39 177.54 1i8d s ASP 34 N -6.22 6.41 0.00 -1.43 -1.08 -1.26 -1.84 116.67 111.24 1i8d s ASP 34 Ca -0.08 2.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.99 1i8d s ASP 34 Cb 0.08 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1i8d s ASP 34 CO 0.81 -1.17 0.00 0.61 0.52 0.00 0.00 175.17 175.94 1i8d n GLY 35 N 4.55 3.04 3.73 2.66 0.00 -1.26 -5.05 105.19 112.85 1i8d n GLY 35 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1i8d n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i8d s LEU 36 N 0.00 4.37 0.13 0.99 2.96 -0.77 -5.01 118.68 121.35 1i8d s LEU 36 Ca 0.00 2.65 0.02 0.00 -0.22 0.00 0.00 54.13 56.58 1i8d s LEU 36 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1i8d s LEU 36 CO 0.00 -0.80 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.56 1i8d s GLU 37 N 0.73 0.96 0.70 1.98 2.02 -1.26 -5.07 118.70 118.76 1i8d s GLU 37 Ca 0.67 -1.41 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 1i8d s GLU 37 Cb -0.44 -0.31 -0.00 0.00 0.10 0.00 0.00 34.13 33.48 1i8d s GLU 37 CO 0.35 -0.03 0.99 0.25 0.02 0.00 0.00 175.26 176.84 1i8d n THR 38 N -0.13 3.08 0.00 3.63 -2.24 -1.26 -0.74 114.28 116.61 1i8d n THR 38 Ca -0.10 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1i8d n THR 38 Cb 0.61 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1i8d n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i8d n GLY 39 N 1.10 2.85 3.75 3.38 0.00 -0.74 -4.93 105.19 110.61 1i8d n GLY 39 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1i8d n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8d s ALA 40 N -1.91 2.85 -0.16 4.61 0.00 0.08 -4.71 121.76 122.52 1i8d s ALA 40 Ca 0.00 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1i8d s ALA 40 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1i8d s ALA 40 CO 0.00 -1.20 0.21 -1.12 0.00 0.00 0.00 175.76 173.65 1i8d s SER 41 N -1.06 6.36 -0.04 0.00 0.01 -1.26 -1.93 113.70 115.78 1i8d s SER 41 Ca 0.70 0.41 0.01 0.00 1.31 0.00 0.00 55.95 58.38 1i8d s SER 41 Cb -0.37 -2.13 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1i8d s SER 41 CO 0.44 0.18 -0.04 -0.69 0.41 0.00 0.00 173.24 173.55 1i8d s VAL 42 N 0.17 0.47 -0.11 3.43 1.01 0.13 -2.05 120.40 123.45 1i8d s VAL 42 Ca 0.13 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 1i8d s VAL 42 Cb -0.12 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1i8d s VAL 42 CO 0.02 0.20 0.38 0.00 0.00 0.00 0.00 175.10 175.70 1i8d s ALA 43 N 0.84 3.59 -0.31 5.51 0.00 -0.19 -0.56 121.76 130.62 1i8d s ALA 43 Ca -0.11 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 1i8d s ALA 43 Cb -0.14 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.55 1i8d s ALA 43 CO -0.00 0.17 0.07 -1.01 0.00 0.00 0.00 175.76 174.99 1i8d s HIS 44 N 0.11 3.21 -1.68 0.00 3.76 -0.05 -2.46 115.29 118.18 1i8d s HIS 44 Ca 0.21 -1.36 -0.02 0.00 -0.15 0.00 0.00 55.06 53.74 1i8d s HIS 44 Cb -0.15 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.32 1i8d s HIS 44 CO 0.08 -0.69 0.31 0.09 -0.85 0.00 0.00 174.74 173.68 1i8d n ASN 45 N 4.79 -6.05 0.00 1.40 3.02 0.54 -1.64 115.26 117.32 1i8d n ASN 45 Ca -0.13 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1i8d n ASN 45 Cb 0.46 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 1i8d n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i8d n GLY 46 N -1.28 0.62 3.40 7.41 0.00 -1.23 -3.40 105.19 110.71 1i8d n GLY 46 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1i8d n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8d s LEU 49 N 1.83 2.42 -0.11 0.00 1.43 0.27 -4.95 118.68 119.58 1i8d s LEU 49 Ca 0.73 -0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1i8d s LEU 49 Cb -0.43 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 1i8d s LEU 49 CO 0.32 -0.41 -0.09 0.42 0.23 0.00 0.00 176.35 176.83 1i8d s THR 50 N -2.94 3.50 -0.21 5.49 -4.23 -1.26 0.18 115.64 116.17 1i8d s THR 50 Ca 0.03 -0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 59.74 1i8d s THR 50 Cb 0.01 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1i8d s THR 50 CO -0.04 0.54 1.95 -0.69 -0.54 0.00 0.00 174.62 175.85 1i8d s VAL 51 N -0.12 3.27 -0.10 2.29 1.01 -0.81 -4.15 120.40 121.79 1i8d s VAL 51 Ca 0.01 0.29 0.16 0.00 0.00 0.00 0.00 61.98 62.43 1i8d s VAL 51 Cb -0.13 -3.32 -0.18 0.00 0.00 0.00 0.00 36.38 32.75 1i8d s VAL 51 CO 0.03 -0.17 0.69 0.35 0.00 0.00 0.00 175.10 176.00 1i8d n THR 52 N 7.08 1.30 -3.52 3.92 -2.24 0.46 -1.79 114.28 119.49 1i8d n THR 52 Ca 0.24 -0.73 -0.18 0.00 -2.27 0.00 0.00 64.05 61.11 1i8d n THR 52 Cb 0.45 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.83 1i8d n THR 52 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1i8d s GLU 53 N -2.80 1.06 -0.28 -0.78 2.12 -1.16 -4.94 118.70 111.91 1i8d s GLU 53 Ca -0.04 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.52 1i8d s GLU 53 Cb 0.08 0.50 0.08 0.00 0.26 0.00 0.00 34.13 35.05 1i8d s GLU 53 CO 0.82 -0.34 -0.01 0.42 -0.54 0.00 0.00 175.26 175.62 1i8d s ILE 54 N -1.32 1.77 -0.57 -3.70 1.01 -1.26 -0.38 121.20 116.75 1i8d s ILE 54 Ca -0.11 -1.66 -0.03 0.00 0.00 0.00 0.00 60.65 58.85 1i8d s ILE 54 Cb -0.00 -2.13 0.15 0.00 0.01 0.00 0.00 42.46 40.48 1i8d s ILE 54 CO 0.09 -0.32 0.38 0.20 0.00 0.00 0.00 174.94 175.29 1i8d s ASN 55 N 1.23 5.26 1.26 3.58 0.01 -0.51 -5.01 114.94 120.76 1i8d s ASN 55 Ca 0.01 -2.64 0.00 0.00 -0.71 0.00 0.00 52.86 49.52 1i8d s ASN 55 Cb -0.19 -1.85 0.00 0.00 0.41 0.00 0.00 41.25 39.62 1i8d s ASN 55 CO -0.09 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 1i8d n GLY 56 N 3.79 3.14 0.31 0.66 0.00 -1.26 -1.09 105.19 110.73 1i8d n GLY 56 Ca 0.05 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.80 1i8d n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i8d n ASN 57 N 2.14 0.89 -4.48 1.61 6.94 -1.26 -4.66 115.26 116.44 1i8d n ASN 57 Ca 0.00 -1.98 -0.40 0.00 -0.02 0.00 0.00 54.58 52.18 1i8d n ASN 57 Cb 0.00 -0.11 -0.11 0.00 -2.36 0.00 0.00 39.78 37.20 1i8d n ASN 57 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1i8d s HIS 58 N -1.78 3.21 -0.06 -2.53 3.76 -0.25 -1.30 115.29 116.35 1i8d s HIS 58 Ca 0.12 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.64 1i8d s HIS 58 Cb 0.06 -2.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 1i8d s HIS 58 CO 0.08 -0.42 -0.10 0.08 -0.85 0.00 0.00 174.74 173.53 1i8d s VAL 59 N 1.67 3.44 0.04 -0.90 1.01 0.52 -1.42 120.40 124.75 1i8d s VAL 59 Ca 0.05 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1i8d s VAL 59 Cb -0.17 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1i8d s VAL 59 CO 0.08 0.59 0.01 -0.44 0.00 0.00 0.00 175.10 175.34 1i8d s SER 60 N -0.81 5.14 0.01 3.32 0.01 0.49 -0.60 113.70 121.26 1i8d s SER 60 Ca 0.12 -0.06 -0.13 0.00 1.31 0.00 0.00 55.95 57.19 1i8d s SER 60 Cb -0.11 -1.31 0.02 0.00 0.21 0.00 0.00 66.02 64.83 1i8d s SER 60 CO 0.01 0.24 0.28 -0.36 0.41 0.00 0.00 173.24 173.82 1i8d s PHE 61 N -1.19 -0.11 0.05 2.43 0.40 -0.82 0.17 117.98 118.91 1i8d s PHE 61 Ca 0.23 0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.71 1i8d s PHE 61 Cb -0.12 0.07 -0.04 0.00 0.51 0.00 0.00 43.02 43.44 1i8d s PHE 61 CO 0.14 -0.41 -0.07 -0.51 0.70 0.00 0.00 175.22 175.08 1i8d s ASP 62 N -1.56 4.61 -0.09 1.36 -0.00 -1.26 -1.31 116.67 118.42 1i8d s ASP 62 Ca -0.11 -0.24 0.02 0.00 -0.00 0.00 0.00 52.55 52.22 1i8d s ASP 62 Cb -0.04 -1.01 0.01 0.00 -0.00 0.00 0.00 42.92 41.88 1i8d s ASP 62 CO 0.02 0.23 -0.14 -0.76 -0.00 0.00 0.00 175.17 174.52 1i8d s LEU 63 N -1.85 1.65 0.68 1.23 1.02 0.23 -4.80 118.68 116.84 1i8d s LEU 63 Ca 0.20 -0.37 -0.16 0.00 0.02 0.00 0.00 54.13 53.82 1i8d s LEU 63 Cb -0.11 -0.98 0.01 0.00 0.02 0.00 0.00 46.19 45.13 1i8d s LEU 63 CO 0.12 0.02 1.20 -0.04 0.02 0.00 0.00 176.35 177.67 1i8d s MET 64 N 0.91 2.48 0.29 1.70 -1.94 -1.26 -1.16 119.30 120.31 1i8d s MET 64 Ca -0.09 1.77 0.01 0.00 -1.71 0.00 0.00 55.69 55.67 1i8d s MET 64 Cb -0.15 -1.87 0.55 0.00 2.01 0.00 0.00 34.83 35.36 1i8d s MET 64 CO 0.00 -1.58 1.85 0.87 -0.01 0.00 0.00 175.02 176.16 1i8d h LYS 65 N 0.14 0.98 0.43 2.03 1.79 -1.74 -1.46 116.57 118.74 1i8d h LYS 65 Ca -0.49 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 57.90 1i8d h LYS 65 Cb 1.29 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1i8d h LYS 65 CO 0.52 0.65 -0.21 0.93 -1.08 0.00 0.00 179.45 180.26 1i8d h GLU 66 N 1.01 -0.55 -1.11 3.15 4.39 -1.91 -2.74 114.58 116.82 1i8d h GLU 66 Ca 0.48 0.04 0.31 0.00 0.34 0.00 0.00 59.36 60.52 1i8d h GLU 66 Cb 0.43 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.12 1i8d h GLU 66 CO -0.24 -0.25 0.74 1.15 -1.16 0.00 0.00 179.01 179.25 1i8d h THR 67 N -0.86 0.44 -0.35 1.13 2.02 -1.87 0.21 112.91 113.64 1i8d h THR 67 Ca -0.06 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1i8d h THR 67 Cb 0.56 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1i8d h THR 67 CO 0.10 0.05 -0.05 -0.07 0.37 0.00 0.00 175.52 175.91 1i8d h LEU 68 N 0.26 0.65 -0.20 2.58 3.38 -1.07 -1.64 115.31 119.27 1i8d h LEU 68 Ca 0.61 -0.35 -0.22 0.00 0.09 0.00 0.00 57.88 58.02 1i8d h LEU 68 Cb 1.83 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1i8d h LEU 68 CO -0.24 0.85 -0.92 0.08 0.09 0.00 0.00 178.44 178.30 1i8d h ARG 69 N 0.45 0.39 -0.09 1.13 0.11 -0.40 -3.24 114.38 112.74 1i8d h ARG 69 Ca 0.09 -0.41 -0.09 0.00 0.10 0.00 0.00 59.98 59.68 1i8d h ARG 69 Cb 0.54 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 1i8d h ARG 69 CO 0.03 1.08 -0.34 0.82 0.10 0.00 0.00 179.97 181.66 1i8d h ILE 70 N 0.22 1.27 -4.85 0.08 2.04 -0.99 -3.46 117.51 111.82 1i8d h ILE 70 Ca -0.07 -1.29 -0.36 0.00 1.00 0.00 0.00 64.86 64.14 1i8d h ILE 70 Cb 1.55 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 39.16 1i8d h ILE 70 CO 0.16 0.38 -0.22 0.35 0.00 0.00 0.00 178.15 178.82 1i8d n THR 71 N -4.10 0.00 1.38 -0.27 -2.24 -0.62 -4.65 114.28 103.78 1i8d n THR 71 Ca -0.01 -1.33 0.14 0.00 -2.27 0.00 0.00 64.05 60.57 1i8d n THR 71 Cb 0.41 0.02 0.55 0.00 -2.10 0.00 0.00 70.33 69.21 1i8d n THR 71 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1i8d n ASN 72 N -1.55 0.68 0.28 3.42 0.23 -1.26 -3.94 115.26 113.10 1i8d n ASN 72 Ca -0.07 -0.72 0.15 0.00 -0.53 0.00 0.00 54.58 53.41 1i8d n ASN 72 Cb 0.37 -0.01 0.78 0.00 -2.08 0.00 0.00 39.78 38.84 1i8d n ASN 72 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1i8d h LEU 73 N 0.84 0.00 -0.85 -4.53 3.38 -1.87 -1.48 115.31 110.79 1i8d h LEU 73 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1i8d h LEU 73 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1i8d h LEU 73 CO 0.00 0.08 -0.57 1.23 0.09 0.00 0.00 178.44 179.27 1i8d h GLY 74 N 1.12 0.00 2.00 0.83 0.00 -1.68 -2.80 103.07 102.53 1i8d h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i8d h GLY 74 CO 0.01 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 176.00 1i8d h ASP 75 N 0.00 0.00 -4.06 0.19 3.32 -1.52 -3.46 116.42 110.88 1i8d h ASP 75 Ca -0.01 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.49 1i8d h ASP 75 Cb 1.01 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.70 1i8d h ASP 75 CO 0.07 0.00 0.58 -0.76 -1.72 0.00 0.00 179.24 177.41 1i8d s LEU 76 N -5.21 3.78 0.08 1.55 1.43 -1.06 -5.03 118.68 114.22 1i8d s LEU 76 Ca 0.04 2.71 0.07 0.00 -1.03 0.00 0.00 54.13 55.91 1i8d s LEU 76 Cb 0.09 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 1i8d s LEU 76 CO 0.48 -1.66 -0.18 -0.54 0.23 0.00 0.00 176.35 174.68 1i8d s LYS 77 N -3.03 1.04 0.20 1.70 -0.14 -1.26 -5.07 119.74 113.18 1i8d s LYS 77 Ca 0.74 -1.01 -0.32 0.00 -1.36 0.00 0.00 55.97 54.02 1i8d s LYS 77 Cb -0.39 -1.17 -0.14 0.00 -1.68 0.00 0.00 37.83 34.44 1i8d s LYS 77 CO 0.45 0.28 1.34 0.28 -0.76 0.00 0.00 175.35 176.93 1i8d n VAL 78 N 1.38 0.75 0.00 3.17 0.31 -1.26 -0.92 118.33 121.75 1i8d n VAL 78 Ca -0.19 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1i8d n VAL 78 Cb 0.54 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1i8d n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i8d n GLY 79 N 2.27 3.45 3.71 2.92 0.00 0.35 -4.99 105.19 112.89 1i8d n GLY 79 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1i8d n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i8d s ASP 80 N -0.80 3.52 0.08 1.61 -0.00 -0.10 -4.63 116.67 116.35 1i8d s ASP 80 Ca 0.00 1.71 0.09 0.00 -0.00 0.00 0.00 52.55 54.35 1i8d s ASP 80 Cb 0.00 -2.36 -0.04 0.00 -0.00 0.00 0.00 42.92 40.53 1i8d s ASP 80 CO 0.00 -2.64 -0.22 0.26 -0.00 0.00 0.00 175.17 172.56 1i8d s TRP 81 N -2.84 2.43 0.13 4.23 0.52 -1.26 -0.74 118.94 121.42 1i8d s TRP 81 Ca 0.64 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.49 1i8d s TRP 81 Cb -0.19 -1.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1i8d s TRP 81 CO 0.57 0.28 -0.13 0.14 0.02 0.00 0.00 176.95 177.83 1i8d s VAL 82 N -0.98 1.34 0.12 4.03 -7.23 -0.62 -4.97 120.40 112.09 1i8d s VAL 82 Ca 0.15 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.23 1i8d s VAL 82 Cb -0.10 -1.64 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 1i8d s VAL 82 CO 0.06 -0.49 0.81 0.20 -0.31 0.00 0.00 175.10 175.36 1i8d s ASN 83 N -2.67 7.35 0.06 4.85 0.01 -1.26 -1.05 114.94 122.23 1i8d s ASN 83 Ca 0.12 1.61 0.04 0.00 -0.71 0.00 0.00 52.86 53.92 1i8d s ASN 83 Cb -0.03 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 1i8d s ASN 83 CO 0.03 0.09 -0.12 0.68 -1.51 0.00 0.00 177.10 176.27 1i8d s VAL 84 N -0.57 0.96 -0.23 1.60 -7.23 -0.35 -0.34 120.40 114.24 1i8d s VAL 84 Ca 0.39 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 59.24 1i8d s VAL 84 Cb -0.22 -0.93 0.07 0.00 0.56 0.00 0.00 36.38 35.85 1i8d s VAL 84 CO 0.26 -0.22 0.58 -0.70 -0.31 0.00 0.00 175.10 174.71 1i8d s GLU 85 N -1.56 0.59 0.40 4.82 2.12 -1.03 -1.49 118.70 122.54 1i8d s GLU 85 Ca -0.03 1.04 -0.22 0.00 0.36 0.00 0.00 54.97 56.11 1i8d s GLU 85 Cb -0.09 0.09 -0.11 0.00 0.26 0.00 0.00 34.13 34.28 1i8d s GLU 85 CO 0.02 -0.15 0.95 1.03 -0.54 0.00 0.00 175.26 176.56 1i8d s ARG 86 N 1.47 4.33 0.91 4.30 0.52 -1.26 -1.03 118.95 128.19 1i8d s ARG 86 Ca -0.09 1.18 -0.11 0.00 -0.52 0.00 0.00 55.73 56.19 1i8d s ARG 86 Cb -0.06 -2.37 0.13 0.00 0.52 0.00 0.00 34.95 33.17 1i8d s ARG 86 CO -0.16 0.07 1.11 0.00 0.02 0.00 0.00 175.30 176.34 1i8d n ALA 87 N -0.28 -0.82 -1.60 2.13 0.00 -0.87 -4.88 120.51 114.19 1i8d n ALA 87 Ca 0.05 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 52.63 1i8d n ALA 87 Cb 0.53 -2.18 0.03 0.00 0.00 0.00 0.00 19.45 17.83 1i8d n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i8d s ALA 88 N -2.55 2.58 0.05 0.00 0.00 0.60 -4.88 121.76 117.56 1i8d s ALA 88 Ca 0.67 0.57 0.04 0.00 0.00 0.00 0.00 51.96 53.24 1i8d s ALA 88 Cb -0.24 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1i8d s ALA 88 CO 0.58 -1.06 -0.04 0.15 0.00 0.00 0.00 175.76 175.39 1i8d s LYS 89 N -3.92 2.52 0.34 0.00 3.01 -1.26 -4.52 119.74 115.91 1i8d s LYS 89 Ca 0.67 -0.80 0.14 0.00 -1.01 0.00 0.00 55.97 54.98 1i8d s LYS 89 Cb -0.20 -2.51 1.08 0.00 -1.01 0.00 0.00 37.83 35.19 1i8d s LYS 89 CO 0.37 0.57 1.67 0.74 0.51 0.00 0.00 175.35 179.20 1i8d h PHE 90 N 3.93 0.94 -0.00 3.18 0.05 -2.02 1.74 116.94 124.75 1i8d h PHE 90 Ca -0.48 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.35 1i8d h PHE 90 Cb 1.17 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 38.87 1i8d h PHE 90 CO 0.60 -0.17 -0.15 -1.13 -0.18 0.00 0.00 178.31 177.27 1i8d n SER 91 N -5.05 0.33 -4.77 2.17 3.41 -1.26 -4.86 113.62 103.60 1i8d n SER 91 Ca 0.32 -0.20 -0.40 0.00 -0.26 0.00 0.00 58.87 58.32 1i8d n SER 91 Cb 0.98 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.77 1i8d n SER 91 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1i8d s ASP 92 N -2.72 6.89 0.30 4.04 1.01 0.59 -4.97 116.67 121.81 1i8d s ASP 92 Ca 0.21 2.48 -0.29 0.00 0.71 0.00 0.00 52.55 55.66 1i8d s ASP 92 Cb 0.19 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 1i8d s ASP 92 CO 0.53 -0.43 1.33 -1.61 0.21 0.00 0.00 175.17 175.21 1i8d s GLU 93 N -1.78 4.34 0.05 8.23 2.02 -1.26 -4.89 118.70 125.41 1i8d s GLU 93 Ca 0.49 2.22 -0.31 0.00 0.02 0.00 0.00 54.97 57.39 1i8d s GLU 93 Cb -0.35 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 30.71 1i8d s GLU 93 CO 0.46 -0.24 1.54 0.42 0.02 0.00 0.00 175.26 177.46 1i8d s ILE 94 N -0.80 3.29 0.09 -1.63 1.01 -1.26 -4.95 121.20 116.95 1i8d s ILE 94 Ca 0.52 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 1i8d s ILE 94 Cb -0.40 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1i8d s ILE 94 CO 0.50 0.00 0.23 0.61 0.00 0.00 0.00 174.94 176.28 1i8d n GLY 95 N 3.82 1.56 7.00 6.18 0.00 -1.26 -5.15 105.19 117.33 1i8d n GLY 95 Ca 0.14 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1i8d n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i8d n GLY 96 N -0.16 1.55 2.66 -0.02 0.00 -1.26 -4.52 105.19 103.44 1i8d n GLY 96 Ca -0.02 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 1i8d n GLY 96 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i8d s HIS 97 N 0.00 -0.04 -0.27 1.61 2.46 0.61 -5.00 115.29 114.67 1i8d s HIS 97 Ca 0.00 -0.29 -0.35 0.00 0.47 0.00 0.00 55.06 54.89 1i8d s HIS 97 Cb 0.00 -0.61 -0.11 0.00 -0.13 0.00 0.00 32.58 31.73 1i8d s HIS 97 CO 0.00 -0.71 2.06 1.28 -2.47 0.00 0.00 174.74 174.90 1i8d n LEU 98 N 5.29 2.58 -4.51 8.88 4.77 -1.26 -3.82 117.00 128.93 1i8d n LEU 98 Ca -0.05 0.61 -0.30 0.00 -0.03 0.00 0.00 56.01 56.25 1i8d n LEU 98 Cb 0.47 -1.30 -0.11 0.00 -2.33 0.00 0.00 43.42 40.15 1i8d n LEU 98 CO 0.06 -0.53 -0.48 -0.04 -1.33 0.00 0.00 177.39 175.07 1i8d s MET 99 N 5.37 1.87 0.00 3.23 -1.94 0.15 -4.90 119.30 123.07 1i8d s MET 99 Ca 1.03 -1.14 0.24 0.00 -1.71 0.00 0.00 55.69 54.11 1i8d s MET 99 Cb -0.80 -2.16 0.27 0.00 2.01 0.00 0.00 34.83 34.15 1i8d s MET 99 CO 0.51 0.49 1.26 -1.13 -0.01 0.00 0.00 175.02 176.14 1i8d n SER 100 N 0.81 1.61 -0.58 3.03 3.41 -1.26 -1.27 113.62 119.38 1i8d n SER 100 Ca -0.15 -1.26 -0.05 0.00 -0.26 0.00 0.00 58.87 57.15 1i8d n SER 100 Cb 0.53 0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1i8d n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i8d n GLY 101 N 1.40 0.21 3.22 5.00 0.00 -1.26 -4.77 105.19 108.98 1i8d n GLY 101 Ca 0.10 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 1i8d n GLY 101 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i8d s HIS 102 N -2.25 2.86 -0.27 1.61 5.04 -1.25 -0.51 115.29 120.52 1i8d s HIS 102 Ca 0.00 -1.26 -0.14 0.00 -1.54 0.00 0.00 55.06 52.12 1i8d s HIS 102 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 32.58 30.58 1i8d s HIS 102 CO 0.00 -0.66 0.34 0.42 -2.34 0.00 0.00 174.74 172.50 1i8d s ILE 103 N 1.32 5.20 -0.02 0.89 -1.09 -1.26 -4.58 121.20 121.67 1i8d s ILE 103 Ca 0.04 0.50 0.10 0.00 -2.23 0.00 0.00 60.65 59.06 1i8d s ILE 103 Cb -0.14 -3.67 -0.23 0.00 -1.58 0.00 0.00 42.46 36.85 1i8d s ILE 103 CO -0.07 0.18 0.77 -0.03 -1.23 0.00 0.00 174.94 174.56 1i8d h MET 104 N 8.15 0.03 0.00 2.79 4.05 -1.42 -3.49 114.93 125.04 1i8d h MET 104 Ca -0.33 -0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.14 1i8d h MET 104 Cb 1.17 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1i8d h MET 104 CO 0.63 0.65 0.41 -2.37 0.23 0.00 0.00 176.91 176.46 1i8d n THR 105 N -3.14 0.00 -4.45 -0.77 5.66 -1.18 -4.97 114.28 105.43 1i8d n THR 105 Ca -0.15 -0.53 -0.22 0.00 -3.05 0.00 0.00 64.05 60.11 1i8d n THR 105 Cb 1.03 0.65 -0.11 0.00 -1.55 0.00 0.00 70.33 70.36 1i8d n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1i8d s THR 106 N -2.20 1.31 0.02 1.09 -4.23 -1.26 0.47 115.64 110.84 1i8d s THR 106 Ca 0.17 -2.02 -0.04 0.00 -1.18 0.00 0.00 61.69 58.61 1i8d s THR 106 Cb -0.03 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 1i8d s THR 106 CO 0.06 -0.08 0.06 0.00 -0.54 0.00 0.00 174.62 174.12 1i8d s ALA 107 N -3.22 -0.08 -0.14 3.99 0.00 -0.51 0.30 121.76 122.10 1i8d s ALA 107 Ca 0.35 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 1i8d s ALA 107 Cb 0.08 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1i8d s ALA 107 CO 0.15 -0.22 0.10 -1.21 0.00 0.00 0.00 175.76 174.57 1i8d s GLU 108 N -1.80 3.61 0.03 0.00 2.02 0.42 0.19 118.70 123.17 1i8d s GLU 108 Ca -0.12 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1i8d s GLU 108 Cb -0.06 -3.17 -0.07 0.00 0.10 0.00 0.00 34.13 30.92 1i8d s GLU 108 CO -0.01 0.58 1.61 0.08 0.02 0.00 0.00 175.26 177.53 1i8d s VAL 109 N -0.46 3.27 -0.46 2.63 1.01 0.26 -1.10 120.40 125.54 1i8d s VAL 109 Ca 0.11 0.64 0.10 0.00 0.00 0.00 0.00 61.98 62.83 1i8d s VAL 109 Cb -0.12 -3.41 -0.11 0.00 0.00 0.00 0.00 36.38 32.74 1i8d s VAL 109 CO 0.02 -0.01 0.42 0.00 0.00 0.00 0.00 175.10 175.52 1i8d n ALA 110 N 5.88 3.29 -3.63 5.51 0.00 0.12 -0.09 120.51 131.58 1i8d n ALA 110 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1i8d n ALA 110 Cb 0.42 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 1i8d n ALA 110 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1i8d s LYS 111 N -1.94 0.39 -0.04 0.00 2.20 -1.23 -4.96 119.74 114.17 1i8d s LYS 111 Ca 0.04 0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.99 1i8d s LYS 111 Cb 0.07 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1i8d s LYS 111 CO 0.41 -0.07 -0.04 0.42 -0.36 0.00 0.00 175.35 175.70 1i8d s ILE 112 N -0.22 0.46 0.00 5.43 1.01 -1.26 -1.76 121.20 124.87 1i8d s ILE 112 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1i8d s ILE 112 Cb -0.04 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.94 1i8d s ILE 112 CO -0.07 0.20 0.00 0.18 0.00 0.00 0.00 174.94 175.26 1i8d n LEU 113 N 3.97 0.08 -4.35 2.97 4.77 -1.26 -5.01 117.00 118.16 1i8d n LEU 113 Ca -0.25 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.36 1i8d n LEU 113 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1i8d n LEU 113 CO 0.24 -0.20 -0.31 -0.60 -1.33 0.00 0.00 177.39 175.19 1i8d s ARG 119 N -1.98 3.27 -0.30 3.23 3.52 -1.06 -4.79 118.95 120.85 1i8d s ARG 119 Ca 0.00 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1i8d s ARG 119 Cb 0.00 -3.27 0.04 0.00 -1.56 0.00 0.00 34.95 30.16 1i8d s ARG 119 CO 0.00 -0.33 0.01 -1.14 -0.81 0.00 0.00 175.30 173.03 1i8d s GLN 120 N 1.51 2.58 -0.15 5.12 0.74 -1.26 0.17 119.66 128.37 1i8d s GLN 120 Ca 0.04 -1.17 -0.06 0.00 0.05 0.00 0.00 55.36 54.22 1i8d s GLN 120 Cb -0.16 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1i8d s GLN 120 CO 0.01 -0.57 0.07 0.42 -0.55 0.00 0.00 175.29 174.67 1i8d s ILE 121 N 1.30 4.87 -0.11 -2.34 1.01 0.10 -4.43 121.20 121.61 1i8d s ILE 121 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1i8d s ILE 121 Cb -0.19 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1i8d s ILE 121 CO -0.01 0.52 0.14 0.26 0.00 0.00 0.00 174.94 175.84 1i8d s TRP 122 N -0.13 3.57 0.21 3.97 0.52 -0.72 -0.85 118.94 125.51 1i8d s TRP 122 Ca 0.07 0.50 0.08 0.00 0.02 0.00 0.00 56.10 56.77 1i8d s TRP 122 Cb -0.12 -1.92 -0.05 0.00 -1.15 0.00 0.00 33.47 30.23 1i8d s TRP 122 CO 0.01 0.72 -0.14 -0.06 0.02 0.00 0.00 176.95 177.50 1i8d s PHE 123 N -1.04 1.71 -0.21 -1.98 0.40 0.22 0.11 117.98 117.19 1i8d s PHE 123 Ca 0.16 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1i8d s PHE 123 Cb -0.12 -0.81 0.05 0.00 0.51 0.00 0.00 43.02 42.65 1i8d s PHE 123 CO 0.05 0.35 -0.10 0.21 0.70 0.00 0.00 175.22 176.43 1i8d s LYS 124 N -3.65 2.01 0.30 0.44 2.36 -0.26 -2.54 119.74 118.41 1i8d s LYS 124 Ca 0.23 -0.93 -0.29 0.00 -2.55 0.00 0.00 55.97 52.43 1i8d s LYS 124 Cb -0.00 -2.51 -0.10 0.00 -1.05 0.00 0.00 37.83 34.17 1i8d s LYS 124 CO 0.07 -0.47 1.12 0.08 1.55 0.00 0.00 175.35 177.70 1i8d s VAL 125 N 1.36 3.41 -0.02 4.02 1.01 -1.26 -0.43 120.40 128.48 1i8d s VAL 125 Ca -0.03 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 1i8d s VAL 125 Cb -0.17 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.21 1i8d s VAL 125 CO -0.08 0.30 0.94 -0.61 0.00 0.00 0.00 175.10 175.65 1i8d h GLN 126 N 3.59 -0.45 -4.10 2.72 -0.00 -0.54 -3.37 115.11 112.96 1i8d h GLN 126 Ca -0.47 0.03 -0.76 0.00 -0.00 0.00 0.00 58.65 57.45 1i8d h GLN 126 Cb 1.21 0.10 -0.24 0.00 0.00 0.00 0.00 27.48 28.56 1i8d h GLN 126 CO 0.66 -0.14 0.01 -0.51 0.00 0.00 0.00 178.83 178.85 1i8d s ASP 127 N -5.07 6.45 0.10 -0.69 1.01 -1.26 -4.91 116.67 112.31 1i8d s ASP 127 Ca -0.12 -2.14 0.16 0.00 0.71 0.00 0.00 52.55 51.16 1i8d s ASP 127 Cb 0.01 -2.23 0.69 0.00 1.01 0.00 0.00 42.92 42.40 1i8d s ASP 127 CO 0.42 -0.78 1.49 -1.54 0.21 0.00 0.00 175.17 174.98 1i8d n SER 128 N 4.91 0.23 0.21 0.27 3.41 -1.26 -2.43 113.62 118.96 1i8d n SER 128 Ca 0.00 0.57 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 1i8d n SER 128 Cb 0.44 -0.61 0.59 0.00 -0.26 0.00 0.00 64.21 64.36 1i8d n SER 128 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1i8d h GLN 129 N 0.00 0.00 0.00 4.33 -0.00 -1.96 -2.53 115.11 114.95 1i8d h GLN 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1i8d h GLN 129 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 1i8d h GLN 129 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.11 1i8d n LEU 130 N -2.68 0.00 0.30 0.06 4.32 -1.02 -3.66 117.00 114.33 1i8d n LEU 130 Ca 0.01 0.46 0.20 0.00 -0.02 0.00 0.00 56.01 56.66 1i8d n LEU 130 Cb 0.27 -0.46 1.06 0.00 -1.62 0.00 0.00 43.42 42.68 1i8d n LEU 130 CO 0.24 -0.04 1.11 0.24 -1.22 0.00 0.00 177.39 177.71 1i8d h MET 131 N 0.00 0.00 0.00 3.23 2.86 -1.67 -0.78 114.93 118.57 1i8d h MET 131 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1i8d h MET 131 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1i8d h MET 131 CO 0.00 0.00 0.00 0.36 1.06 0.00 0.00 176.91 178.33 1i8d n LYS 132 N -2.89 0.08 -0.10 1.72 2.85 -1.24 -1.82 118.16 116.78 1i8d n LYS 132 Ca -0.03 0.25 0.10 0.00 -1.05 0.00 0.00 58.31 57.59 1i8d n LYS 132 Cb 0.08 -1.64 0.14 0.00 -0.65 0.00 0.00 35.03 32.97 1i8d n LYS 132 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1i8d n TYR 133 N -1.79 0.25 -3.71 5.58 4.02 -0.30 -4.80 117.16 116.41 1i8d n TYR 133 Ca 0.04 -0.15 -0.38 0.00 -0.01 0.00 0.00 57.90 57.40 1i8d n TYR 133 Cb 0.24 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.45 1i8d n TYR 133 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1i8d s ILE 134 N -1.50 3.66 0.01 -0.72 1.01 -0.75 -4.77 121.20 118.14 1i8d s ILE 134 Ca 0.29 -1.78 0.08 0.00 0.00 0.00 0.00 60.65 59.24 1i8d s ILE 134 Cb 0.19 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1i8d s ILE 134 CO 0.27 -0.61 -0.24 -0.76 0.00 0.00 0.00 174.94 173.60 1i8d s LEU 135 N 1.26 2.24 0.20 2.97 1.43 -1.26 -4.95 118.68 120.58 1i8d s LEU 135 Ca 0.05 -0.48 -0.32 0.00 -1.03 0.00 0.00 54.13 52.35 1i8d s LEU 135 Cb -0.23 -1.37 -0.13 0.00 0.03 0.00 0.00 46.19 44.49 1i8d s LEU 135 CO -0.02 0.29 1.63 0.00 0.23 0.00 0.00 176.35 178.48 1i8d n TYR 136 N 2.05 2.54 -0.60 0.29 4.19 -1.26 -0.09 117.16 124.28 1i8d n TYR 136 Ca -0.16 0.18 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1i8d n TYR 136 Cb 0.52 -2.60 0.00 0.00 0.49 0.00 0.00 39.34 37.75 1i8d n TYR 136 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1i8d n LYS 137 N 3.37 0.00 -0.32 2.98 5.02 -0.35 -5.00 118.16 123.86 1i8d n LYS 137 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1i8d n LYS 137 Cb 0.32 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1i8d n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i8d n GLY 138 N -2.00 0.08 3.65 0.72 0.00 0.88 -4.73 105.19 103.79 1i8d n GLY 138 Ca 0.00 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 1i8d n GLY 138 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i8d s PHE 139 N -0.07 2.86 -0.01 1.61 0.40 -1.26 -1.21 117.98 120.30 1i8d s PHE 139 Ca 0.00 -0.11 -0.13 0.00 -0.60 0.00 0.00 56.93 56.09 1i8d s PHE 139 Cb 0.00 -1.43 0.02 0.00 0.51 0.00 0.00 43.02 42.12 1i8d s PHE 139 CO 0.00 0.49 0.26 -1.50 0.70 0.00 0.00 175.22 175.17 1i8d s ILE 140 N -1.52 0.07 -0.26 0.64 1.10 -0.49 -4.37 121.20 116.36 1i8d s ILE 140 Ca 0.26 -0.55 -0.06 0.00 -0.51 0.00 0.00 60.65 59.79 1i8d s ILE 140 Cb -0.10 -0.59 -0.00 0.00 0.15 0.00 0.00 42.46 41.92 1i8d s ILE 140 CO 0.17 -0.30 0.04 -0.83 -2.11 0.00 0.00 174.94 171.92 1i8d s GLY 141 N -1.39 1.73 -0.24 1.50 0.00 0.06 -0.79 107.32 108.20 1i8d s GLY 141 Ca -0.13 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.30 1i8d s GLY 141 CO 0.03 0.57 -0.14 -0.42 0.00 0.00 0.00 173.10 173.14 1i8d s ILE 142 N 1.51 2.15 -1.62 0.90 1.01 0.68 -0.86 121.20 124.99 1i8d s ILE 142 Ca 0.04 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 1i8d s ILE 142 Cb -0.16 -2.16 0.12 0.00 0.01 0.00 0.00 42.46 40.27 1i8d s ILE 142 CO 0.01 0.15 0.85 0.47 0.00 0.00 0.00 174.94 176.42 1i8d n ASP 143 N 4.49 -3.73 0.00 3.58 8.00 0.13 -0.39 116.55 128.63 1i8d n ASP 143 Ca -0.16 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1i8d n ASP 143 Cb 0.44 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 1i8d n ASP 143 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i8d n GLY 144 N -1.55 0.48 3.60 0.44 0.00 -1.22 -3.47 105.19 103.47 1i8d n GLY 144 Ca 0.04 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1i8d n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i8d s ILE 145 N -2.00 4.51 -0.48 -0.61 1.01 0.48 -4.43 121.20 119.68 1i8d s ILE 145 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.22 1i8d s ILE 145 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.49 1i8d s ILE 145 CO 0.00 0.48 1.13 -0.55 0.00 0.00 0.00 174.94 176.00 1i8d s SER 146 N 0.27 6.62 0.41 3.58 0.15 -0.79 -0.23 113.70 123.71 1i8d s SER 146 Ca 0.02 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.14 1i8d s SER 146 Cb -0.13 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1i8d s SER 146 CO 0.01 -1.25 0.10 -0.76 1.20 0.00 0.00 173.24 172.54 1i8d s LEU 147 N 4.45 2.07 -0.13 3.45 1.43 0.03 -5.00 118.68 124.97 1i8d s LEU 147 Ca 0.47 -1.62 -0.00 0.00 -1.03 0.00 0.00 54.13 51.96 1i8d s LEU 147 Cb -0.07 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 1i8d s LEU 147 CO 0.32 -0.86 -0.13 -0.89 0.23 0.00 0.00 176.35 175.01 1i8d s THR 148 N -3.18 3.00 0.04 5.49 2.01 -1.26 -1.40 115.64 120.34 1i8d s THR 148 Ca 0.24 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1i8d s THR 148 Cb 0.04 -2.26 -0.07 0.00 0.01 0.00 0.00 72.50 70.21 1i8d s THR 148 CO 0.13 0.52 1.55 -0.69 -0.69 0.00 0.00 174.62 175.44 1i8d s VAL 149 N 0.42 3.32 0.00 3.82 1.01 -0.35 -4.52 120.40 124.09 1i8d s VAL 149 Ca -0.10 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1i8d s VAL 149 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1i8d s VAL 149 CO 0.05 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1i8d n GLY 150 N 3.85 1.39 3.63 4.51 0.00 0.12 -1.21 105.19 117.49 1i8d n GLY 150 Ca 0.15 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1i8d n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i8d n GLU 151 N 0.00 1.07 -4.14 1.61 4.71 -1.26 -4.42 120.64 118.22 1i8d n GLU 151 Ca 0.00 0.41 -0.15 0.00 -0.01 0.00 0.00 57.16 57.41 1i8d n GLU 151 Cb 0.00 -2.21 -0.13 0.00 -1.01 0.00 0.00 31.44 28.09 1i8d n GLU 151 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1i8d s VAL 152 N -1.45 0.57 0.34 2.62 1.01 -1.26 -0.80 120.40 121.43 1i8d s VAL 152 Ca 0.73 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1i8d s VAL 152 Cb -0.44 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1i8d s VAL 152 CO 0.49 -0.14 -0.01 0.42 0.00 0.00 0.00 175.10 175.85 1i8d s THR 153 N -0.84 1.69 -1.97 3.92 -4.23 0.18 -4.99 115.64 109.40 1i8d s THR 153 Ca -0.04 -2.06 0.18 0.00 -1.18 0.00 0.00 61.69 58.59 1i8d s THR 153 Cb -0.07 -2.75 0.50 0.00 1.34 0.00 0.00 72.50 71.53 1i8d s THR 153 CO 0.00 -0.11 1.47 -2.65 -0.54 0.00 0.00 174.62 172.80 1i8d n PRO 154 N -0.76 0.55 -0.01 3.99 -0.02 -1.26 -2.85 135.00 134.63 1i8d n PRO 154 Ca -0.04 0.01 -0.01 0.00 -2.02 0.00 0.00 63.50 61.43 1i8d n PRO 154 Cb 0.65 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1i8d n PRO 154 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i8d n THR 155 N -1.01 0.11 -4.11 3.45 -2.24 -1.26 -4.99 114.28 104.23 1i8d n THR 155 Ca 0.13 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1i8d n THR 155 Cb 0.07 -0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 67.61 1i8d n THR 155 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1i8d s ARG 156 N -2.04 0.69 0.05 -0.78 0.52 -1.13 -4.25 118.95 112.00 1i8d s ARG 156 Ca -0.03 -1.27 0.01 0.00 -0.52 0.00 0.00 55.73 53.92 1i8d s ARG 156 Cb 0.01 0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 1i8d s ARG 156 CO 0.04 -0.14 -0.06 -0.59 0.02 0.00 0.00 175.30 174.58 1i8d s PHE 157 N -3.94 0.56 0.36 -0.53 -0.12 -1.05 0.47 117.98 113.73 1i8d s PHE 157 Ca 0.11 -0.64 0.08 0.00 -0.05 0.00 0.00 56.93 56.43 1i8d s PHE 157 Cb 0.08 -0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 42.04 1i8d s PHE 157 CO -0.07 -0.16 -0.06 0.00 -0.05 0.00 0.00 175.22 174.87 1i8d s VAL 159 N -2.68 0.10 -0.20 0.00 -7.23 -0.03 0.15 120.40 110.50 1i8d s VAL 159 Ca 0.33 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 1i8d s VAL 159 Cb 0.05 -0.29 -0.01 0.00 0.56 0.00 0.00 36.38 36.69 1i8d s VAL 159 CO 0.17 -0.46 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.44 1i8d s HIS 160 N -1.39 2.94 -0.18 2.82 3.76 -1.26 -0.72 115.29 121.26 1i8d s HIS 160 Ca -0.15 -0.90 -0.08 0.00 -0.15 0.00 0.00 55.06 53.78 1i8d s HIS 160 Cb -0.09 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1i8d s HIS 160 CO -0.00 -0.49 0.07 -0.51 -0.85 0.00 0.00 174.74 172.96 1i8d s LEU 161 N 1.27 3.89 0.38 0.89 1.43 0.45 -4.96 118.68 122.03 1i8d s LEU 161 Ca 0.03 0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.05 1i8d s LEU 161 Cb -0.14 -1.98 -0.10 0.00 0.03 0.00 0.00 46.19 43.99 1i8d s LEU 161 CO -0.02 0.19 0.88 0.27 0.23 0.00 0.00 176.35 177.89 1i8d s ILE 162 N 0.30 4.47 0.64 -0.59 -0.00 -1.26 -2.55 121.20 122.21 1i8d s ILE 162 Ca 0.04 1.35 0.37 0.00 -0.00 0.00 0.00 60.65 62.42 1i8d s ILE 162 Cb -0.12 -3.65 0.40 0.00 -0.00 0.00 0.00 42.46 39.08 1i8d s ILE 162 CO -0.00 -0.22 2.24 -0.65 -0.00 0.00 0.00 174.94 176.31 1i8d h PRO 163 N 2.19 0.00 0.35 0.37 0.11 -1.99 -2.30 132.00 130.73 1i8d h PRO 163 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1i8d h PRO 163 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i8d h PRO 163 CO 0.63 0.00 -0.17 1.49 -0.21 0.00 0.00 178.00 179.74 1i8d h GLU 164 N 0.00 -0.46 -0.93 1.05 4.57 -1.96 -2.91 114.58 113.94 1i8d h GLU 164 Ca 0.01 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.41 1i8d h GLU 164 Cb 0.18 0.10 -0.17 0.00 -0.16 0.00 0.00 28.75 28.70 1i8d h GLU 164 CO -0.00 -0.30 -0.25 2.41 -1.18 0.00 0.00 179.01 179.68 1i8d n THR 165 N -3.82 -0.41 0.08 0.32 -1.04 -1.11 0.27 114.28 108.57 1i8d n THR 165 Ca -0.06 2.15 0.21 0.00 -2.04 0.00 0.00 64.05 64.31 1i8d n THR 165 Cb 0.19 -2.95 0.72 0.00 -1.82 0.00 0.00 70.33 66.46 1i8d n THR 165 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1i8d h LEU 166 N 0.00 0.00 -2.89 -4.42 3.38 -1.43 -0.01 115.31 109.94 1i8d h LEU 166 Ca 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1i8d h LEU 166 Cb 0.66 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1i8d h LEU 166 CO -0.96 0.00 -0.41 -0.62 0.09 0.00 0.00 178.44 176.54 1i8d n GLU 167 N -3.60 1.09 0.00 1.13 -0.58 0.78 -3.79 120.64 115.68 1i8d n GLU 167 Ca 0.08 -2.63 0.00 0.00 -0.42 0.00 0.00 57.16 54.19 1i8d n GLU 167 Cb 0.70 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1i8d n GLU 167 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1i8d n ARG 168 N -0.88 1.77 -4.66 3.49 1.74 -0.38 -5.04 116.66 112.71 1i8d n ARG 168 Ca 0.14 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 1i8d n ARG 168 Cb 0.74 -0.97 -0.08 0.00 -1.02 0.00 0.00 32.46 31.13 1i8d n ARG 168 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1i8d s THR 169 N -1.91 0.85 -2.36 0.55 -4.23 -0.14 -4.51 115.64 103.88 1i8d s THR 169 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 1i8d s THR 169 Cb 0.00 -2.19 0.46 0.00 1.34 0.00 0.00 72.50 72.12 1i8d s THR 169 CO 0.00 0.00 1.57 0.35 -0.54 0.00 0.00 174.62 176.00 1i8d n THR 170 N -1.13 0.18 -0.02 3.99 -2.24 -1.26 -4.24 114.28 109.56 1i8d n THR 170 Ca -0.14 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1i8d n THR 170 Cb 0.66 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1i8d n THR 170 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i8d h LEU 171 N 2.51 0.17 -2.50 3.22 6.46 -1.84 -1.64 115.31 121.69 1i8d h LEU 171 Ca 0.00 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1i8d h LEU 171 Cb 0.55 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1i8d h LEU 171 CO 0.00 0.13 -0.02 1.23 -0.62 0.00 0.00 178.44 179.17 1i8d h GLY 172 N 0.20 0.00 -0.07 3.75 0.00 -1.74 -1.48 103.07 103.73 1i8d h GLY 172 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1i8d h GLY 172 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.81 1i8d n LYS 173 N -3.60 1.46 -2.67 4.80 5.02 -0.63 -4.90 118.16 117.63 1i8d n LYS 173 Ca -0.03 -0.67 -0.39 0.00 -2.02 0.00 0.00 58.31 55.20 1i8d n LYS 173 Cb 0.11 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 1i8d n LYS 173 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1i8d s LYS 174 N -1.97 4.73 0.32 1.97 -0.14 -0.56 -5.04 119.74 119.05 1i8d s LYS 174 Ca 0.39 1.55 0.08 0.00 -1.36 0.00 0.00 55.97 56.63 1i8d s LYS 174 Cb 0.20 -3.16 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 1i8d s LYS 174 CO 0.32 0.37 0.15 0.15 -0.76 0.00 0.00 175.35 175.59 1i8d s LYS 175 N -1.43 2.49 0.25 1.68 -0.14 -1.26 -5.02 119.74 116.30 1i8d s LYS 175 Ca 0.44 -1.42 -0.30 0.00 -1.36 0.00 0.00 55.97 53.33 1i8d s LYS 175 Cb -0.26 -2.28 -0.14 0.00 -1.68 0.00 0.00 37.83 33.47 1i8d s LYS 175 CO 0.33 0.18 1.14 -0.11 -0.76 0.00 0.00 175.35 176.13 1i8d n LEU 176 N -1.16 2.06 0.00 3.17 7.94 -1.26 -0.63 117.00 127.13 1i8d n LEU 176 Ca -0.04 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1i8d n LEU 176 Cb 0.60 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.25 1i8d n LEU 176 CO 0.42 -1.15 0.00 0.61 -1.11 0.00 0.00 177.39 176.16 1i8d n GLY 177 N 1.57 0.73 3.78 -3.96 0.00 0.86 -4.93 105.19 103.24 1i8d n GLY 177 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1i8d n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8d s ALA 178 N -2.98 3.00 -0.15 4.61 0.00 0.20 -4.62 121.76 121.81 1i8d s ALA 178 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 1i8d s ALA 178 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1i8d s ALA 178 CO 0.00 -0.49 0.33 1.03 0.00 0.00 0.00 175.76 176.63 1i8d s ARG 179 N -2.68 4.27 0.10 0.00 0.52 -1.26 -0.57 118.95 119.34 1i8d s ARG 179 Ca 0.62 0.16 0.09 0.00 -0.52 0.00 0.00 55.73 56.08 1i8d s ARG 179 Cb -0.26 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 1i8d s ARG 179 CO 0.31 0.22 -0.24 0.14 0.02 0.00 0.00 175.30 175.75 1i8d s VAL 180 N 0.50 1.98 0.09 3.52 -7.23 0.13 -4.86 120.40 114.54 1i8d s VAL 180 Ca 0.18 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 1i8d s VAL 180 Cb -0.13 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1i8d s VAL 180 CO 0.05 0.06 0.97 0.20 -0.31 0.00 0.00 175.10 176.07 1i8d s ASN 181 N -1.86 7.47 -0.18 4.85 0.01 -1.26 -1.42 114.94 122.56 1i8d s ASN 181 Ca 0.10 1.78 -0.03 0.00 -0.71 0.00 0.00 52.86 54.01 1i8d s ASN 181 Cb -0.10 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 1i8d s ASN 181 CO 0.05 -0.10 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.84 1i8d s ILE 182 N 0.16 3.38 -0.26 0.60 1.01 0.18 0.19 121.20 126.46 1i8d s ILE 182 Ca 0.48 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1i8d s ILE 182 Cb -0.23 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.77 1i8d s ILE 182 CO 0.30 0.47 -0.05 -0.70 0.00 0.00 0.00 174.94 174.95 1i8d s GLU 183 N 0.93 2.77 -0.06 2.79 2.12 -0.03 -0.91 118.70 126.30 1i8d s GLU 183 Ca -0.01 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 54.00 1i8d s GLU 183 Cb -0.15 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 1i8d s GLU 183 CO 0.00 -0.43 1.09 0.42 -0.54 0.00 0.00 175.26 175.80 1i8d s ILE 184 N 1.31 4.55 -0.22 -3.70 -1.09 -1.26 -0.76 121.20 120.03 1i8d s ILE 184 Ca -0.01 1.84 -0.35 0.00 -2.23 0.00 0.00 60.65 59.90 1i8d s ILE 184 Cb -0.17 -4.18 -0.12 0.00 -1.58 0.00 0.00 42.46 36.41 1i8d s ILE 184 CO -0.04 0.03 1.97 -0.67 -1.23 0.00 0.00 174.94 175.00 1i8d n ASP 185 N 4.82 2.82 -0.32 3.58 2.03 -1.26 -4.84 116.55 123.38 1i8d n ASP 185 Ca 0.09 0.78 -0.01 0.00 0.52 0.00 0.00 54.79 56.17 1i8d n ASP 185 Cb 0.48 -1.30 0.12 0.00 -0.72 0.00 0.00 41.12 39.70 1i8d n ASP 185 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1i8d h PRO 186 N 10.12 1.06 -0.01 -0.67 0.14 -1.92 -1.94 132.00 138.78 1i8d h PRO 186 Ca -0.41 -0.06 -0.09 0.00 0.14 0.00 0.00 66.00 65.58 1i8d h PRO 186 Cb 1.29 -0.24 -0.01 0.00 0.14 0.00 0.00 31.00 32.18 1i8d h PRO 186 CO 0.97 0.70 -0.40 1.96 0.14 0.00 0.00 178.00 181.38 1i8d h GLN 187 N 1.09 0.02 -0.29 0.86 7.50 -1.96 -2.60 115.11 119.73 1i8d h GLN 187 Ca 0.35 -0.01 -0.11 0.00 0.50 0.00 0.00 58.65 59.38 1i8d h GLN 187 Cb 0.02 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 1i8d h GLN 187 CO -0.12 0.42 -0.29 1.15 -1.50 0.00 0.00 178.83 178.49 1i8d h THR 188 N 0.02 1.28 -0.00 -0.54 2.02 -1.75 -2.23 112.91 111.71 1i8d h THR 188 Ca -0.00 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 1i8d h THR 188 Cb 0.71 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1i8d h THR 188 CO 0.05 0.45 -0.00 -0.61 0.37 0.00 0.00 175.52 175.78 1i8d h GLN 189 N 0.52 0.00 -0.22 6.66 4.15 -1.04 0.14 115.11 125.31 1i8d h GLN 189 Ca 0.07 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1i8d h GLN 189 Cb 0.76 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.40 1i8d h GLN 189 CO 0.06 0.31 -0.13 0.00 -1.93 0.00 0.00 178.83 177.14 1i8d h ALA 190 N 0.69 0.04 0.10 3.38 0.00 -1.48 0.63 119.26 122.63 1i8d h ALA 190 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1i8d h ALA 190 Cb 0.31 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1i8d h ALA 190 CO 0.00 -0.55 -0.05 0.28 0.00 0.00 0.00 179.25 178.93 1i8d h VAL 191 N -0.11 0.90 -0.92 0.00 2.07 -1.35 0.94 116.25 117.78 1i8d h VAL 191 Ca 0.12 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1i8d h VAL 191 Cb 0.30 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1i8d h VAL 191 CO -0.29 0.00 0.58 0.58 0.02 0.00 0.00 177.57 178.47 1i8d h VAL 192 N -0.15 1.07 -0.10 2.57 2.07 -0.36 0.20 116.25 121.55 1i8d h VAL 192 Ca -0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1i8d h VAL 192 Cb 0.11 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1i8d h VAL 192 CO 0.02 0.19 0.02 0.44 0.02 0.00 0.00 177.57 178.27 1i8d h ASP 193 N 1.07 0.16 -0.58 0.57 3.32 0.99 -2.41 116.42 119.54 1i8d h ASP 193 Ca 0.40 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1i8d h ASP 193 Cb 0.15 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1i8d h ASP 193 CO -0.17 0.36 0.30 0.74 -1.72 0.00 0.00 179.24 178.75 1i8d h THR 194 N -0.05 0.94 -0.03 0.35 2.02 0.15 -0.91 112.91 115.37 1i8d h THR 194 Ca 0.03 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1i8d h THR 194 Cb 0.27 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 1i8d h THR 194 CO 0.00 0.10 -0.28 0.58 0.37 0.00 0.00 175.52 176.29 1i8d h VAL 195 N 0.56 0.37 -0.50 3.16 2.07 -0.87 0.15 116.25 121.19 1i8d h VAL 195 Ca 0.26 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 1i8d h VAL 195 Cb 0.18 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1i8d h VAL 195 CO -0.18 0.00 0.16 -0.33 0.02 0.00 0.00 177.57 177.24 1i8d h GLU 196 N -0.41 0.73 0.35 1.57 4.39 -1.02 0.38 114.58 120.57 1i8d h GLU 196 Ca 0.07 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1i8d h GLU 196 Cb 0.51 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1i8d h GLU 196 CO -0.26 0.63 -0.33 0.00 -1.16 0.00 0.00 179.01 177.89 1i8d h ARG 197 N 0.72 -0.64 -0.71 2.33 3.08 -0.02 -1.14 114.38 118.00 1i8d h ARG 197 Ca 0.17 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.41 1i8d h ARG 197 Cb 0.20 0.15 -0.13 0.00 0.08 0.00 0.00 29.97 30.26 1i8d h ARG 197 CO -0.01 -0.43 -0.15 0.28 -1.07 0.00 0.00 179.97 178.59 1i8d h VAL 198 N -0.66 0.30 -0.23 2.04 2.07 -0.45 0.57 116.25 119.89 1i8d h VAL 198 Ca -0.04 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1i8d h VAL 198 Cb 0.57 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1i8d h VAL 198 CO -0.03 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.65 1i8d h LEU 199 N 0.01 0.22 0.25 2.57 3.38 -0.62 -1.63 115.31 119.49 1i8d h LEU 199 Ca 0.35 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1i8d h LEU 199 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1i8d h LEU 199 CO -0.71 0.16 -0.12 0.00 0.09 0.00 0.00 178.44 177.85 1i8d h ALA 200 N 1.86 -0.34 -0.82 1.53 0.00 0.14 -2.56 119.26 119.07 1i8d h ALA 200 Ca 0.09 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.02 1i8d h ALA 200 Cb 0.04 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 1i8d h ALA 200 CO -0.02 -0.53 0.18 0.00 0.00 0.00 0.00 179.25 178.88 1i8d h ALA 201 N -0.02 1.10 -0.66 0.00 0.00 -0.75 0.41 119.26 119.35 1i8d h ALA 201 Ca -0.03 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1i8d h ALA 201 Cb 0.46 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1i8d h ALA 201 CO 0.06 -0.42 0.44 0.00 0.00 0.00 0.00 179.25 179.32 1i8d h ARG 202 N 0.21 0.49 0.09 0.00 3.08 -1.05 0.93 114.38 118.13 1i8d h ARG 202 Ca 0.49 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 60.19 1i8d h ARG 202 Cb 0.93 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1i8d h ARG 202 CO -0.62 0.32 -1.72 1.49 -1.07 0.00 0.00 179.97 178.37 1i8d h GLU 203 N 0.50 0.19 -1.01 0.04 4.81 -0.10 -3.33 114.58 115.69 1i8d h GLU 203 Ca 0.30 -0.33 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1i8d h GLU 203 Cb 0.51 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 1i8d h GLU 203 CO -0.09 1.16 0.65 -0.91 -0.73 0.00 0.00 179.01 179.09 1i8d h ASN 204 N -0.27 1.05 0.00 1.04 -0.26 -0.02 0.42 115.58 117.54 1i8d h ASN 204 Ca -0.39 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.36 1i8d h ASN 204 Cb 1.80 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 38.85 1i8d h ASN 204 CO 0.00 0.67 0.00 0.00 -1.06 0.00 0.00 177.43 177.05 1i8d n ALA 205 N -2.36 1.89 0.56 -0.83 0.00 0.32 -5.07 120.51 115.01 1i8d n ALA 205 Ca 0.15 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1i8d n ALA 205 Cb 0.18 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.52 1i8d n ALA 205 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38