#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 0.98 -0.06 2.03 0.40 0.75 -0.79 117.98 121.29 1i8d s PHE 2 Ca 0.00 -1.08 0.20 0.00 -0.60 0.00 0.00 56.93 55.45 1i8d s PHE 2 Cb 0.00 -0.57 -0.31 0.00 0.51 0.00 0.00 43.02 42.65 1i8d s PHE 2 CO 0.00 -0.32 0.39 0.25 0.70 0.00 0.00 175.22 176.24 1i8d n THR 3 N -0.13 0.24 -0.37 0.64 -2.24 -1.26 -0.89 114.28 110.27 1i8d n THR 3 Ca -0.08 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1i8d n THR 3 Cb 0.63 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.40 0.74 3.36 3.38 0.00 -1.26 -1.82 105.19 110.99 1i8d n GLY 4 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.46 4.95 0.23 -0.61 -1.09 -1.26 -0.76 121.20 120.20 1i8d s ILE 5 Ca 0.00 -1.09 -0.32 0.00 -2.23 0.00 0.00 60.65 57.01 1i8d s ILE 5 Cb 0.00 -4.42 -0.12 0.00 -1.58 0.00 0.00 42.46 36.34 1i8d s ILE 5 CO 0.00 -1.01 1.69 0.52 -1.23 0.00 0.00 174.94 174.91 1i8d n VAL 6 N 5.46 0.24 0.79 2.92 0.31 -1.26 -4.88 118.33 121.90 1i8d n VAL 6 Ca -0.11 -0.06 0.11 0.00 -0.01 0.00 0.00 64.34 64.28 1i8d n VAL 6 Cb 0.42 -1.97 0.04 0.00 -0.91 0.00 0.00 33.84 31.42 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 3.54 0.14 0.00 5.55 6.02 -0.26 -5.01 117.38 127.36 1i8d n GLN 7 Ca 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1i8d n GLN 7 Cb 0.35 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.07 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 1.44 -0.07 3.21 1.08 0.00 -0.89 -4.99 105.19 104.97 1i8d n GLY 8 Ca 0.03 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 1.99 0.04 2.61 -4.23 -1.26 0.52 115.64 113.30 1i8d s THR 9 Ca 0.00 -0.99 0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1i8d s THR 9 Cb 0.00 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 1i8d s THR 9 CO 0.00 0.55 -0.24 0.00 -0.54 0.00 0.00 174.62 174.39 1i8d s ALA 10 N 0.28 2.35 0.13 3.99 0.00 0.25 -4.57 121.76 124.19 1i8d s ALA 10 Ca -0.16 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 1i8d s ALA 10 Cb -0.17 -0.57 -0.07 0.00 0.00 0.00 0.00 23.12 22.31 1i8d s ALA 10 CO 0.08 0.54 0.55 0.21 0.00 0.00 0.00 175.76 177.14 1i8d s LYS 11 N -1.22 4.01 -0.39 0.00 2.20 -1.22 -0.67 119.74 122.45 1i8d s LYS 11 Ca 0.12 0.52 -0.27 0.00 -0.36 0.00 0.00 55.97 55.99 1i8d s LYS 11 Cb -0.10 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1i8d s LYS 11 CO 0.03 0.51 0.97 -1.17 -0.36 0.00 0.00 175.35 175.33 1i8d s LEU 12 N -1.82 3.94 -0.00 5.43 2.96 0.22 -1.75 118.68 127.66 1i8d s LEU 12 Ca 0.36 0.57 0.18 0.00 -0.22 0.00 0.00 54.13 55.02 1i8d s LEU 12 Cb -0.16 -3.33 -0.19 0.00 0.50 0.00 0.00 46.19 43.02 1i8d s LEU 12 CO 0.19 -0.93 0.63 0.55 -1.32 0.00 0.00 176.35 175.46 1i8d n VAL 13 N 6.13 1.04 -3.55 1.68 3.14 0.11 0.98 118.33 127.85 1i8d n VAL 13 Ca 0.08 -0.69 -0.11 0.00 -2.96 0.00 0.00 64.34 60.66 1i8d n VAL 13 Cb 0.48 -0.57 -0.04 0.00 -1.06 0.00 0.00 33.84 32.65 1i8d n VAL 13 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1i8d s SER 14 N -5.53 -0.39 -0.08 6.55 1.04 -1.18 -4.87 113.70 109.23 1i8d s SER 14 Ca -0.05 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.70 1i8d s SER 14 Cb 0.09 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1i8d s SER 14 CO 0.83 -0.46 -0.12 -0.63 0.98 0.00 0.00 173.24 173.84 1i8d s ILE 15 N -1.77 1.19 -0.38 -1.02 1.01 -1.26 -1.88 121.20 117.10 1i8d s ILE 15 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 1i8d s ILE 15 Cb -0.01 -1.11 0.08 0.00 0.01 0.00 0.00 42.46 41.44 1i8d s ILE 15 CO -0.01 0.37 0.15 -0.62 0.00 0.00 0.00 174.94 174.84 1i8d s ASP 16 N 0.91 5.23 0.15 3.58 -1.08 -0.46 -4.91 116.67 120.08 1i8d s ASP 16 Ca -0.10 -1.68 -0.27 0.00 -0.52 0.00 0.00 52.55 49.99 1i8d s ASP 16 Cb -0.15 -1.83 -0.07 0.00 -1.46 0.00 0.00 42.92 39.41 1i8d s ASP 16 CO 0.01 -0.45 0.83 -0.70 0.52 0.00 0.00 175.17 175.38 1i8d s GLU 17 N 1.24 4.63 0.25 4.34 2.56 -1.26 0.32 118.70 130.78 1i8d s GLU 17 Ca 0.03 1.25 0.02 0.00 0.00 0.00 0.00 54.97 56.27 1i8d s GLU 17 Cb -0.22 -3.30 -0.05 0.00 2.00 0.00 0.00 34.13 32.56 1i8d s GLU 17 CO -0.02 0.45 0.07 0.15 -0.56 0.00 0.00 175.26 175.35 1i8d s LYS 18 N -0.77 1.39 0.18 4.30 -0.14 -0.15 -4.97 119.74 119.59 1i8d s LYS 18 Ca 0.39 -1.74 -0.14 0.00 -1.36 0.00 0.00 55.97 53.12 1i8d s LYS 18 Cb -0.23 -0.37 0.09 0.00 -1.68 0.00 0.00 37.83 35.63 1i8d s LYS 18 CO 0.27 -0.24 1.83 -1.35 -0.76 0.00 0.00 175.35 175.10 1i8d h PRO 19 N 2.40 0.67 -0.24 -1.68 0.11 -2.02 -3.25 132.00 127.98 1i8d h PRO 19 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1i8d h PRO 19 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1i8d h PRO 19 CO 0.62 0.44 0.00 0.09 -0.21 0.00 0.00 178.00 178.95 1i8d n ASN 20 N -4.74 2.69 -3.58 -2.05 3.02 -1.26 -4.99 115.26 104.36 1i8d n ASN 20 Ca 0.04 -1.81 -0.01 0.00 -0.03 0.00 0.00 54.58 52.77 1i8d n ASN 20 Cb 0.04 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1i8d n ASN 20 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1i8d s PHE 21 N -1.06 0.02 0.01 3.10 -0.71 -1.23 -2.86 117.98 115.24 1i8d s PHE 21 Ca 0.23 -0.28 0.01 0.00 -1.04 0.00 0.00 56.93 55.85 1i8d s PHE 21 Cb 0.13 0.63 -0.01 0.00 -1.21 0.00 0.00 43.02 42.56 1i8d s PHE 21 CO 0.18 -0.63 -0.05 0.50 -1.34 0.00 0.00 175.22 173.89 1i8d s ARG 22 N -2.28 0.39 -0.17 1.99 3.52 -0.15 -0.98 118.95 121.28 1i8d s ARG 22 Ca 0.22 -0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.43 1i8d s ARG 22 Cb -0.01 -0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.04 1i8d s ARG 22 CO 0.02 0.07 0.08 0.99 -0.81 0.00 0.00 175.30 175.66 1i8d s THR 23 N -0.47 5.00 -0.19 4.11 2.01 0.15 -0.56 115.64 125.69 1i8d s THR 23 Ca -0.02 0.04 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1i8d s THR 23 Cb -0.04 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1i8d s THR 23 CO -0.00 0.48 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.34 1i8d s HIS 24 N 0.11 2.92 -0.23 4.92 3.76 -0.08 -1.36 115.29 125.33 1i8d s HIS 24 Ca 0.06 -0.88 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 1i8d s HIS 24 Cb -0.12 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.53 1i8d s HIS 24 CO 0.00 -0.46 -0.01 0.08 -0.85 0.00 0.00 174.74 173.50 1i8d s VAL 25 N 1.15 3.69 0.08 -0.90 1.01 -0.79 -2.28 120.40 122.36 1i8d s VAL 25 Ca 0.02 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1i8d s VAL 25 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1i8d s VAL 25 CO -0.02 0.40 -0.18 0.68 0.00 0.00 0.00 175.10 175.98 1i8d s VAL 26 N 1.51 2.81 -0.61 2.92 -7.23 -0.59 0.04 120.40 119.25 1i8d s VAL 26 Ca 0.06 -1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 58.69 1i8d s VAL 26 Cb -0.14 -2.23 0.09 0.00 0.56 0.00 0.00 36.38 34.65 1i8d s VAL 26 CO -0.01 0.22 0.77 -0.70 -0.31 0.00 0.00 175.10 175.08 1i8d s GLU 27 N -1.78 3.06 0.24 4.82 2.12 -0.72 -0.67 118.70 125.77 1i8d s GLU 27 Ca 0.16 -1.18 -0.10 0.00 0.36 0.00 0.00 54.97 54.22 1i8d s GLU 27 Cb -0.11 -4.25 -0.07 0.00 0.26 0.00 0.00 34.13 29.96 1i8d s GLU 27 CO 0.08 -1.61 0.56 -0.48 -0.54 0.00 0.00 175.26 173.26 1i8d s LEU 28 N 3.06 4.15 0.15 2.70 0.05 0.14 -3.38 118.68 125.55 1i8d s LEU 28 Ca 0.14 0.93 -0.34 0.00 0.05 0.00 0.00 54.13 54.91 1i8d s LEU 28 Cb -0.22 -3.70 -0.14 0.00 -2.05 0.00 0.00 46.19 40.08 1i8d s LEU 28 CO 0.07 -0.09 1.51 -2.65 -0.55 0.00 0.00 176.35 174.64 1i8d n PRO 29 N -0.21 1.90 -0.34 1.48 -0.02 -1.26 -4.82 135.00 131.73 1i8d n PRO 29 Ca 0.01 0.69 0.19 0.00 -2.02 0.00 0.00 63.50 62.36 1i8d n PRO 29 Cb 0.53 -2.41 0.41 0.00 -0.02 0.00 0.00 33.50 32.00 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 5.46 0.58 0.45 2.55 5.19 -1.95 0.77 116.42 129.48 1i8d h ASP 30 Ca -0.45 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1i8d h ASP 30 Cb 1.27 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1i8d h ASP 30 CO 0.85 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.98 1i8d n HIS 31 N -4.96 0.60 1.22 4.55 1.44 -1.26 -2.22 115.22 114.58 1i8d n HIS 31 Ca 0.28 0.26 0.14 0.00 -2.01 0.00 0.00 57.72 56.39 1i8d n HIS 31 Cb 0.82 -0.92 0.53 0.00 0.12 0.00 0.00 29.99 30.55 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 -2.07 0.37 0.03 -1.40 2.81 0.27 -4.22 117.12 112.91 1i8d n MET 32 Ca 0.01 -0.13 -0.19 0.00 -1.81 0.00 0.00 57.70 55.59 1i8d n MET 32 Cb 0.15 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.04 1i8d n MET 32 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1i8d h LEU 33 N 0.31 0.50 -9.26 4.03 3.38 -1.52 -3.42 115.31 109.33 1i8d h LEU 33 Ca 0.00 -0.86 -0.64 0.00 0.09 0.00 0.00 57.88 56.47 1i8d h LEU 33 Cb 0.42 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.04 1i8d h LEU 33 CO 0.00 1.31 1.03 -0.67 0.09 0.00 0.00 178.44 180.21 1i8d n ASP 34 N -4.16 3.20 0.00 -0.43 2.03 -1.26 0.23 116.55 116.15 1i8d n ASP 34 Ca -0.12 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1i8d n ASP 34 Cb 0.75 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1i8d n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i8d n GLY 35 N 4.28 1.15 3.65 0.27 0.00 -1.26 -5.01 105.19 108.26 1i8d n GLY 35 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 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 4.08 0.24 0.99 2.96 0.14 -4.99 118.68 122.09 1i8d s LEU 36 Ca 0.00 1.68 0.08 0.00 -0.22 0.00 0.00 54.13 55.67 1i8d s LEU 36 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 1i8d s LEU 36 CO 0.00 -0.99 -0.13 -0.70 -1.32 0.00 0.00 176.35 173.22 1i8d s GLU 37 N 4.04 1.44 0.65 1.98 2.56 -1.26 -5.05 118.70 123.06 1i8d s GLU 37 Ca 0.63 -1.67 -0.18 0.00 0.00 0.00 0.00 54.97 53.76 1i8d s GLU 37 Cb -0.24 -1.22 -0.00 0.00 2.00 0.00 0.00 34.13 34.67 1i8d s GLU 37 CO 0.23 0.16 1.26 0.95 -0.56 0.00 0.00 175.26 177.30 1i8d s THR 38 N -2.92 2.22 0.00 -1.70 -4.23 -1.26 -2.27 115.64 105.48 1i8d s THR 38 Ca 0.25 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1i8d s THR 38 Cb -0.00 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1i8d s THR 38 CO 0.09 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1i8d n GLY 39 N 0.70 1.67 3.78 3.99 0.00 0.12 -4.93 105.19 110.51 1i8d n GLY 39 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.66 2.36 -0.24 4.61 0.00 -0.96 -4.55 121.76 120.32 1i8d s ALA 40 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 1i8d s ALA 40 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1i8d s ALA 40 CO 0.00 -1.59 0.10 -1.12 0.00 0.00 0.00 175.76 173.15 1i8d s SER 41 N -3.29 5.50 -0.02 0.00 0.01 -1.26 0.84 113.70 115.48 1i8d s SER 41 Ca 0.62 -0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.86 1i8d s SER 41 Cb -0.17 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 1i8d s SER 41 CO 0.53 0.01 -0.23 -0.69 0.41 0.00 0.00 173.24 173.27 1i8d s VAL 42 N 1.36 1.80 -0.12 3.43 1.01 0.17 -2.17 120.40 125.89 1i8d s VAL 42 Ca 0.06 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 1i8d s VAL 42 Cb -0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1i8d s VAL 42 CO 0.05 0.51 0.46 0.00 0.00 0.00 0.00 175.10 176.12 1i8d s ALA 43 N -0.53 3.49 -0.27 5.51 0.00 0.55 0.55 121.76 131.06 1i8d s ALA 43 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 1i8d s ALA 43 Cb -0.09 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.44 1i8d s ALA 43 CO -0.01 0.02 -0.01 -1.01 0.00 0.00 0.00 175.76 174.74 1i8d s HIS 44 N 0.58 3.14 -1.55 0.00 3.76 0.69 -2.80 115.29 119.12 1i8d s HIS 44 Ca 0.25 -1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 53.47 1i8d s HIS 44 Cb -0.15 -2.11 0.10 0.00 1.11 0.00 0.00 32.58 31.53 1i8d s HIS 44 CO 0.10 -0.73 0.90 0.09 -0.85 0.00 0.00 174.74 174.25 1i8d n ASN 45 N 4.69 -4.51 0.00 1.40 3.02 -0.18 0.24 115.26 119.93 1i8d n ASN 45 Ca -0.15 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1i8d n ASN 45 Cb 0.46 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 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 -1.58 0.92 3.60 7.41 0.00 -1.18 -3.45 105.19 110.90 1i8d n GLY 46 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 4.88 2.66 -0.06 0.00 1.43 0.19 -4.94 118.68 122.84 1i8d s LEU 49 Ca 0.72 -1.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1i8d s LEU 49 Cb -0.27 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 1i8d s LEU 49 CO 0.29 -0.25 -0.20 0.42 0.23 0.00 0.00 176.35 176.83 1i8d s THR 50 N -2.73 2.51 0.24 5.49 -4.23 -1.26 0.47 115.64 116.13 1i8d s THR 50 Ca 0.32 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.61 1i8d s THR 50 Cb 0.03 -1.95 -0.11 0.00 1.34 0.00 0.00 72.50 71.81 1i8d s THR 50 CO 0.15 0.57 1.58 -0.69 -0.54 0.00 0.00 174.62 175.69 1i8d s VAL 51 N -0.34 2.32 -0.10 2.29 1.01 0.25 -4.44 120.40 121.38 1i8d s VAL 51 Ca 0.02 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1i8d s VAL 51 Cb -0.12 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1i8d s VAL 51 CO 0.02 0.03 -0.03 0.35 0.00 0.00 0.00 175.10 175.48 1i8d n THR 52 N 2.98 0.62 -3.59 3.92 -2.24 0.03 0.13 114.28 116.15 1i8d n THR 52 Ca 0.11 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 1i8d n THR 52 Cb 0.38 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.22 0.97 -0.02 -0.78 2.12 -1.25 -4.89 118.70 112.64 1i8d s GLU 53 Ca -0.09 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1i8d s GLU 53 Cb 0.03 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.89 1i8d s GLU 53 CO 0.32 -0.32 -0.01 0.42 -0.54 0.00 0.00 175.26 175.13 1i8d s ILE 54 N -1.74 0.15 -0.32 -3.70 1.01 -1.26 0.25 121.20 115.59 1i8d s ILE 54 Ca -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 1i8d s ILE 54 Cb -0.01 -0.20 0.14 0.00 0.01 0.00 0.00 42.46 42.39 1i8d s ILE 54 CO 0.04 0.10 0.28 0.20 0.00 0.00 0.00 174.94 175.56 1i8d s ASN 55 N 0.60 2.02 1.10 3.58 0.01 0.22 -4.99 114.94 117.48 1i8d s ASN 55 Ca -0.06 -1.24 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 1i8d s ASN 55 Cb -0.09 0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.84 1i8d s ASN 55 CO -0.01 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 1i8d n GLY 56 N 4.87 2.26 0.95 0.66 0.00 -1.26 -1.16 105.19 111.50 1i8d n GLY 56 Ca 0.02 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 3.68 2.69 -4.50 1.61 0.23 -1.26 -4.74 115.26 112.97 1i8d n ASN 57 Ca 0.00 -2.24 -0.42 0.00 -0.53 0.00 0.00 54.58 51.39 1i8d n ASN 57 Cb 0.00 -0.43 -0.10 0.00 -2.08 0.00 0.00 39.78 37.17 1i8d n ASN 57 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1i8d s HIS 58 N -1.70 3.23 -0.06 -2.53 3.76 -0.31 0.25 115.29 117.92 1i8d s HIS 58 Ca 0.26 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1i8d s HIS 58 Cb 0.17 -2.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 1i8d s HIS 58 CO 0.12 -0.47 -0.13 0.08 -0.85 0.00 0.00 174.74 173.49 1i8d s VAL 59 N 1.74 3.17 0.15 -0.90 1.01 0.15 0.71 120.40 126.44 1i8d s VAL 59 Ca 0.06 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1i8d s VAL 59 Cb -0.18 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1i8d s VAL 59 CO 0.11 0.58 0.16 -0.44 0.00 0.00 0.00 175.10 175.51 1i8d s SER 60 N -0.60 5.70 -0.07 3.32 0.01 0.14 -1.54 113.70 120.65 1i8d s SER 60 Ca 0.09 -0.05 -0.24 0.00 1.31 0.00 0.00 55.95 57.06 1i8d s SER 60 Cb -0.11 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.62 1i8d s SER 60 CO 0.01 0.08 0.54 -0.36 0.41 0.00 0.00 173.24 173.93 1i8d s PHE 61 N -1.70 -0.51 -0.08 2.43 0.40 -0.96 -0.79 117.98 116.77 1i8d s PHE 61 Ca 0.32 0.95 0.01 0.00 -0.60 0.00 0.00 56.93 57.61 1i8d s PHE 61 Cb -0.11 0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.67 1i8d s PHE 61 CO 0.24 -0.48 -0.12 -0.51 0.70 0.00 0.00 175.22 175.06 1i8d s ASP 62 N -0.91 4.19 -0.20 1.36 -0.00 -1.26 -0.90 116.67 118.94 1i8d s ASP 62 Ca -0.09 -0.20 -0.02 0.00 -0.00 0.00 0.00 52.55 52.24 1i8d s ASP 62 Cb -0.02 -1.20 0.00 0.00 -0.00 0.00 0.00 42.92 41.70 1i8d s ASP 62 CO 0.06 0.28 -0.11 -0.76 -0.00 0.00 0.00 175.17 174.64 1i8d s LEU 63 N -0.34 2.58 0.41 1.23 1.02 0.27 -4.89 118.68 118.96 1i8d s LEU 63 Ca 0.04 -0.49 -0.25 0.00 0.02 0.00 0.00 54.13 53.45 1i8d s LEU 63 Cb -0.13 -1.63 -0.08 0.00 0.02 0.00 0.00 46.19 44.37 1i8d s LEU 63 CO 0.02 0.00 1.14 -0.04 0.02 0.00 0.00 176.35 177.49 1i8d s MET 64 N 1.31 4.05 0.63 1.70 -1.94 -1.26 -0.97 119.30 122.81 1i8d s MET 64 Ca 0.04 1.74 0.27 0.00 -1.71 0.00 0.00 55.69 56.04 1i8d s MET 64 Cb -0.14 -2.61 1.43 0.00 2.01 0.00 0.00 34.83 35.52 1i8d s MET 64 CO -0.06 -0.30 1.83 0.87 -0.01 0.00 0.00 175.02 177.35 1i8d h LYS 65 N 2.53 0.00 0.23 2.03 6.56 -1.89 0.16 116.57 126.19 1i8d h LYS 65 Ca -0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.09 1i8d h LYS 65 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1i8d h LYS 65 CO 0.62 0.00 -0.11 1.49 -2.06 0.00 0.00 179.45 179.39 1i8d h GLU 66 N 0.00 -0.30 -0.75 3.15 4.57 -1.89 -1.72 114.58 117.64 1i8d h GLU 66 Ca 0.13 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.48 1i8d h GLU 66 Cb 1.09 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.64 1i8d h GLU 66 CO -0.00 0.00 0.27 1.15 -1.18 0.00 0.00 179.01 179.25 1i8d h THR 67 N -0.60 0.61 -0.74 0.32 2.02 -1.05 0.19 112.91 113.65 1i8d h THR 67 Ca -0.03 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1i8d h THR 67 Cb 0.44 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1i8d h THR 67 CO 0.05 0.07 0.31 -0.07 0.37 0.00 0.00 175.52 176.25 1i8d h LEU 68 N 0.39 1.01 0.01 2.58 3.38 -1.35 -0.54 115.31 120.79 1i8d h LEU 68 Ca 0.42 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1i8d h LEU 68 Cb 0.67 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1i8d h LEU 68 CO -0.44 0.89 -0.01 -0.09 0.09 0.00 0.00 178.44 178.89 1i8d h ARG 69 N 1.06 -0.01 0.00 1.13 2.43 -0.28 -2.95 114.38 115.75 1i8d h ARG 69 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1i8d h ARG 69 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1i8d h ARG 69 CO -0.02 0.36 -0.16 0.82 -1.51 0.00 0.00 179.97 179.46 1i8d h ILE 70 N -0.40 0.00 -1.32 1.20 2.04 -0.59 -3.47 117.51 114.97 1i8d h ILE 70 Ca -0.00 -0.97 -0.64 0.00 1.00 0.00 0.00 64.86 64.26 1i8d h ILE 70 Cb 0.38 1.89 -0.12 0.00 -0.74 0.00 0.00 36.82 38.23 1i8d h ILE 70 CO 0.00 0.00 -0.57 0.42 0.00 0.00 0.00 178.15 178.01 1i8d s THR 71 N -3.23 1.81 -1.35 -0.27 -4.23 -0.22 -4.58 115.64 103.59 1i8d s THR 71 Ca 0.06 -1.97 0.27 0.00 -1.18 0.00 0.00 61.69 58.87 1i8d s THR 71 Cb 0.06 -2.78 0.42 0.00 1.34 0.00 0.00 72.50 71.54 1i8d s THR 71 CO 0.68 0.00 1.90 -0.46 -0.54 0.00 0.00 174.62 176.20 1i8d n ASN 72 N -1.08 0.00 -0.06 3.99 0.23 -1.26 -3.41 115.26 113.67 1i8d n ASN 72 Ca -0.08 0.02 0.01 0.00 -0.53 0.00 0.00 54.58 53.99 1i8d n ASN 72 Cb 0.67 -0.33 0.31 0.00 -2.08 0.00 0.00 39.78 38.35 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 0.00 0.60 -0.09 -4.53 3.38 -1.83 -1.16 115.31 111.68 1i8d h LEU 73 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1i8d h LEU 73 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1i8d h LEU 73 CO 0.00 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1i8d n GLY 74 N -1.14 -0.91 0.73 0.83 0.00 -1.11 -2.00 105.19 101.58 1i8d n GLY 74 Ca 0.04 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1i8d n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i8d n ASP 75 N -1.58 2.50 -4.75 1.61 8.00 -0.44 -4.98 116.55 116.91 1i8d n ASP 75 Ca 0.03 -1.75 -0.32 0.00 0.71 0.00 0.00 54.79 53.46 1i8d n ASP 75 Cb 0.14 0.13 0.08 0.00 -0.02 0.00 0.00 41.12 41.45 1i8d n ASP 75 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i8d s LEU 76 N -1.90 3.18 0.15 0.64 1.43 -0.84 -5.04 118.68 116.29 1i8d s LEU 76 Ca 0.22 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.37 1i8d s LEU 76 Cb 0.17 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1i8d s LEU 76 CO 0.33 -2.04 -0.12 -0.54 0.23 0.00 0.00 176.35 174.21 1i8d s LYS 77 N -4.46 1.08 0.34 1.70 -0.14 -1.26 -5.09 119.74 111.91 1i8d s LYS 77 Ca 0.65 -1.40 -0.28 0.00 -1.36 0.00 0.00 55.97 53.59 1i8d s LYS 77 Cb -0.20 -0.77 -0.12 0.00 -1.68 0.00 0.00 37.83 35.06 1i8d s LYS 77 CO 0.50 0.12 1.34 0.28 -0.76 0.00 0.00 175.35 176.83 1i8d n VAL 78 N 0.02 1.94 -0.01 3.17 0.31 -1.26 -1.69 118.33 120.80 1i8d n VAL 78 Ca -0.12 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 1i8d n VAL 78 Cb 0.59 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.78 0.86 3.86 2.92 0.00 0.27 -4.97 105.19 108.91 1i8d n GLY 79 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.59 6.42 0.01 1.61 1.11 -0.68 -4.70 116.67 117.85 1i8d s ASP 80 Ca 0.00 1.50 0.05 0.00 0.18 0.00 0.00 52.55 54.28 1i8d s ASP 80 Cb 0.00 -2.49 -0.03 0.00 1.07 0.00 0.00 42.92 41.47 1i8d s ASP 80 CO 0.00 -0.73 -0.15 0.26 1.18 0.00 0.00 175.17 175.73 1i8d s TRP 81 N -2.90 2.65 0.20 4.23 0.52 -1.26 0.73 118.94 123.11 1i8d s TRP 81 Ca 0.57 -0.20 0.09 0.00 0.02 0.00 0.00 56.10 56.59 1i8d s TRP 81 Cb -0.10 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1i8d s TRP 81 CO 0.43 0.24 -0.18 0.14 0.02 0.00 0.00 176.95 177.59 1i8d s VAL 82 N -0.87 1.99 0.15 4.03 -7.23 0.16 -4.93 120.40 113.70 1i8d s VAL 82 Ca 0.14 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1i8d s VAL 82 Cb -0.11 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.76 1i8d s VAL 82 CO 0.04 -0.37 0.91 0.20 -0.31 0.00 0.00 175.10 175.57 1i8d s ASN 83 N -2.96 7.50 0.04 4.85 0.01 -1.26 -0.58 114.94 122.54 1i8d s ASN 83 Ca 0.20 1.79 0.06 0.00 -0.71 0.00 0.00 52.86 54.20 1i8d s ASN 83 Cb -0.05 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1i8d s ASN 83 CO 0.09 0.05 -0.16 0.68 -1.51 0.00 0.00 177.10 176.25 1i8d s VAL 84 N -0.54 1.30 -0.15 1.60 -7.23 0.18 -1.01 120.40 114.55 1i8d s VAL 84 Ca 0.43 -1.07 -0.09 0.00 -1.81 0.00 0.00 61.98 59.44 1i8d s VAL 84 Cb -0.24 -1.16 0.05 0.00 0.56 0.00 0.00 36.38 35.60 1i8d s VAL 84 CO 0.29 0.07 0.37 -0.70 -0.31 0.00 0.00 175.10 174.83 1i8d s GLU 85 N -1.15 0.35 0.55 4.82 2.12 -1.12 -1.10 118.70 123.16 1i8d s GLU 85 Ca 0.04 0.71 -0.08 0.00 0.36 0.00 0.00 54.97 56.00 1i8d s GLU 85 Cb -0.08 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 1i8d s GLU 85 CO 0.01 -0.15 0.90 1.03 -0.54 0.00 0.00 175.26 176.51 1i8d s ARG 86 N 1.28 3.57 0.73 4.30 0.52 -1.26 -0.33 118.95 127.76 1i8d s ARG 86 Ca -0.09 0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 55.42 1i8d s ARG 86 Cb -0.08 -2.24 0.04 0.00 0.52 0.00 0.00 34.95 33.18 1i8d s ARG 86 CO -0.11 -0.37 1.25 0.00 0.02 0.00 0.00 175.30 176.09 1i8d s ALA 87 N -2.94 2.10 0.20 2.13 0.00 -0.92 -4.88 121.76 117.43 1i8d s ALA 87 Ca 0.51 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 53.27 1i8d s ALA 87 Cb -0.11 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.41 1i8d s ALA 87 CO 0.49 -1.96 0.78 0.00 0.00 0.00 0.00 175.76 175.07 1i8d s ALA 88 N -1.77 3.42 0.30 0.00 0.00 0.03 -5.02 121.76 118.72 1i8d s ALA 88 Ca 0.78 0.33 0.10 0.00 0.00 0.00 0.00 51.96 53.17 1i8d s ALA 88 Cb -0.33 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 1i8d s ALA 88 CO 0.45 0.29 -0.15 -1.59 0.00 0.00 0.00 175.76 174.77 1i8d s LYS 89 N -1.44 1.68 0.64 0.00 -2.85 -1.26 -4.75 119.74 111.76 1i8d s LYS 89 Ca 0.39 -1.81 0.36 0.00 -1.00 0.00 0.00 55.97 53.90 1i8d s LYS 89 Cb -0.21 -1.63 1.99 0.00 -2.06 0.00 0.00 37.83 35.92 1i8d s LYS 89 CO 0.25 0.23 2.19 0.74 0.10 0.00 0.00 175.35 178.85 1i8d h PHE 90 N 2.21 0.00 -0.01 1.78 -1.00 -2.03 0.50 116.94 118.39 1i8d h PHE 90 Ca -0.41 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.37 1i8d h PHE 90 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 1i8d h PHE 90 CO 0.78 0.00 -0.05 -1.13 -1.61 0.00 0.00 178.31 176.30 1i8d n SER 91 N -3.29 0.89 -4.85 2.17 3.41 -1.26 -4.88 113.62 105.80 1i8d n SER 91 Ca -0.02 -1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 57.10 1i8d n SER 91 Cb 0.21 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.14 6.77 0.37 4.04 1.01 0.16 -5.06 116.67 121.82 1i8d s ASP 92 Ca 0.37 0.99 -0.18 0.00 0.71 0.00 0.00 52.55 54.44 1i8d s ASP 92 Cb 0.21 -2.25 -0.10 0.00 1.01 0.00 0.00 42.92 41.79 1i8d s ASP 92 CO 0.39 0.12 0.83 -1.83 0.21 0.00 0.00 175.17 174.90 1i8d s GLU 93 N -1.94 4.11 -0.96 8.23 -1.05 -1.26 -4.88 118.70 120.94 1i8d s GLU 93 Ca 0.36 0.88 -0.16 0.00 -0.15 0.00 0.00 54.97 55.90 1i8d s GLU 93 Cb -0.15 -2.33 0.17 0.00 -0.44 0.00 0.00 34.13 31.38 1i8d s GLU 93 CO 0.19 0.08 1.10 0.42 0.95 0.00 0.00 175.26 177.99 1i8d s ILE 94 N -2.06 5.04 0.47 1.83 1.01 -1.26 -4.86 121.20 121.37 1i8d s ILE 94 Ca 0.58 -2.05 0.12 0.00 0.00 0.00 0.00 60.65 59.29 1i8d s ILE 94 Cb -0.10 -4.72 0.27 0.00 0.01 0.00 0.00 42.46 37.91 1i8d s ILE 94 CO 0.15 -1.40 2.11 1.23 0.00 0.00 0.00 174.94 177.03 1i8d h GLY 95 N 9.51 0.26 0.00 6.18 0.00 -1.94 -3.42 103.07 113.66 1i8d h GLY 95 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1i8d h GLY 95 CO 1.05 0.10 0.00 0.61 0.00 0.00 0.00 176.54 178.29 1i8d n GLY 96 N -1.50 0.65 3.16 4.60 0.00 -1.19 -5.01 105.19 105.90 1i8d n GLY 96 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1i8d n GLY 96 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1i8d s HIS 97 N 1.72 0.35 -0.42 1.61 0.00 -0.76 -5.05 115.29 112.74 1i8d s HIS 97 Ca 0.00 -0.82 -0.29 0.00 -3.00 0.00 0.00 55.06 50.95 1i8d s HIS 97 Cb 0.00 -0.22 0.02 0.00 -4.00 0.00 0.00 32.58 28.39 1i8d s HIS 97 CO 0.00 -0.48 1.14 -1.17 -1.00 0.00 0.00 174.74 173.23 1i8d s LEU 98 N -2.90 3.73 0.00 5.38 2.96 -1.26 -4.21 118.68 122.38 1i8d s LEU 98 Ca 0.07 0.69 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1i8d s LEU 98 Cb 0.06 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1i8d s LEU 98 CO -0.10 -1.15 0.01 -0.04 -1.32 0.00 0.00 176.35 173.76 1i8d s MET 99 N 4.24 2.81 -0.02 1.98 -1.94 -0.06 -4.43 119.30 121.87 1i8d s MET 99 Ca 0.48 -0.60 -0.17 0.00 -1.71 0.00 0.00 55.69 53.69 1i8d s MET 99 Cb -0.09 -2.69 -0.33 0.00 2.01 0.00 0.00 34.83 33.73 1i8d s MET 99 CO 0.27 0.62 0.86 0.66 -0.01 0.00 0.00 175.02 177.42 1i8d h SER 100 N 4.27 0.64 0.00 3.03 4.64 -1.93 0.21 113.55 124.42 1i8d h SER 100 Ca -0.49 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 59.91 1i8d h SER 100 Cb 1.18 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1i8d h SER 100 CO 0.58 1.62 0.00 0.61 -0.87 0.00 0.00 176.83 178.77 1i8d n GLY 101 N 1.73 0.89 3.37 -0.77 0.00 -1.26 -4.49 105.19 104.66 1i8d n GLY 101 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.02 3.24 -0.19 1.61 5.04 -1.26 -0.10 115.29 121.61 1i8d s HIS 102 Ca 0.00 -0.99 -0.13 0.00 -1.54 0.00 0.00 55.06 52.40 1i8d s HIS 102 Cb 0.00 -3.30 -0.05 0.00 0.04 0.00 0.00 32.58 29.27 1i8d s HIS 102 CO 0.00 -0.85 0.26 0.42 -2.34 0.00 0.00 174.74 172.24 1i8d s ILE 103 N 1.65 5.31 0.00 0.89 -1.09 -1.26 -4.81 121.20 121.89 1i8d s ILE 103 Ca 0.04 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 1i8d s ILE 103 Cb -0.25 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1i8d s ILE 103 CO 0.06 0.36 0.00 0.23 -1.23 0.00 0.00 174.94 174.36 1i8d n MET 104 N 3.92 3.96 -4.31 2.79 2.81 -1.26 -4.90 117.12 120.14 1i8d n MET 104 Ca -0.12 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.58 1i8d n MET 104 Cb 0.52 -1.00 -0.10 0.00 -0.71 0.00 0.00 33.22 31.93 1i8d n MET 104 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1i8d s THR 105 N -1.99 1.60 0.32 2.03 -1.32 -1.26 -4.93 115.64 110.08 1i8d s THR 105 Ca 0.00 -2.03 0.08 0.00 -1.21 0.00 0.00 61.69 58.54 1i8d s THR 105 Cb 0.00 -1.87 -0.06 0.00 -1.51 0.00 0.00 72.50 69.06 1i8d s THR 105 CO 0.00 -0.52 -0.08 0.42 -2.21 0.00 0.00 174.62 172.23 1i8d s THR 106 N -2.65 2.01 0.14 5.08 -4.23 -1.26 0.13 115.64 114.86 1i8d s THR 106 Ca 0.17 -2.18 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1i8d s THR 106 Cb -0.02 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1i8d s THR 106 CO 0.05 -0.25 -0.02 0.00 -0.54 0.00 0.00 174.62 173.87 1i8d s ALA 107 N -2.77 1.13 -0.06 3.99 0.00 0.12 -3.89 121.76 120.29 1i8d s ALA 107 Ca 0.31 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1i8d s ALA 107 Cb 0.03 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1i8d s ALA 107 CO 0.15 -0.31 -0.17 -2.00 0.00 0.00 0.00 175.76 173.43 1i8d s GLU 108 N -3.90 2.62 -0.37 0.00 2.12 -0.83 -0.37 118.70 117.97 1i8d s GLU 108 Ca 0.19 -0.75 -0.28 0.00 0.36 0.00 0.00 54.97 54.48 1i8d s GLU 108 Cb 0.06 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 32.08 1i8d s GLU 108 CO -0.00 0.51 1.80 0.08 -0.54 0.00 0.00 175.26 177.11 1i8d s VAL 109 N -0.44 3.47 -0.05 3.70 1.01 -0.54 -0.10 120.40 127.45 1i8d s VAL 109 Ca 0.05 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1i8d s VAL 109 Cb -0.12 -3.69 -0.28 0.00 0.00 0.00 0.00 36.38 32.30 1i8d s VAL 109 CO 0.02 -0.48 0.66 0.00 0.00 0.00 0.00 175.10 175.31 1i8d h ALA 110 N 13.17 0.33 -1.81 5.51 0.00 -0.61 -0.18 119.26 135.66 1i8d h ALA 110 Ca -0.32 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.37 1i8d h ALA 110 Cb 1.17 0.46 -0.23 0.00 0.00 0.00 0.00 17.79 19.19 1i8d h ALA 110 CO 1.06 1.19 0.29 0.21 0.00 0.00 0.00 179.25 182.00 1i8d s LYS 111 N -2.59 0.72 -0.15 0.00 2.20 -1.18 -4.89 119.74 113.85 1i8d s LYS 111 Ca -0.14 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1i8d s LYS 111 Cb 0.06 0.35 0.03 0.00 -1.51 0.00 0.00 37.83 36.76 1i8d s LYS 111 CO 0.83 -0.12 -0.12 0.42 -0.36 0.00 0.00 175.35 176.00 1i8d s ILE 112 N 0.01 1.45 -0.50 5.43 1.01 -1.26 -1.30 121.20 126.03 1i8d s ILE 112 Ca -0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1i8d s ILE 112 Cb -0.04 -1.40 0.12 0.00 0.01 0.00 0.00 42.46 41.15 1i8d s ILE 112 CO -0.01 0.40 0.41 -0.22 0.00 0.00 0.00 174.94 175.52 1i8d s LEU 113 N 1.53 5.89 -0.21 2.97 2.96 -0.51 -4.99 118.68 126.32 1i8d s LEU 113 Ca 0.04 -1.85 -0.09 0.00 -0.22 0.00 0.00 54.13 52.01 1i8d s LEU 113 Cb -0.13 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1i8d s LEU 113 CO -0.10 -0.76 0.12 -0.89 -1.32 0.00 0.00 176.35 173.40 1i8d s THR 114 N 1.46 5.15 0.36 3.68 2.01 -1.26 -2.14 115.64 124.90 1i8d s THR 114 Ca 0.05 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.18 1i8d s THR 114 Cb -0.28 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1i8d s THR 114 CO 0.01 0.40 0.13 -1.54 -0.69 0.00 0.00 174.62 172.93 1i8d n SER 115 N 3.93 1.21 -4.64 3.53 3.41 -0.52 -5.02 113.62 115.51 1i8d n SER 115 Ca -0.16 -2.91 -0.42 0.00 -0.26 0.00 0.00 58.87 55.12 1i8d n SER 115 Cb 0.52 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 65.34 1i8d n SER 115 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1i8d s GLU 116 N -3.37 3.87 0.00 4.33 2.02 -1.26 -2.35 118.70 121.95 1i8d s GLU 116 Ca 0.18 2.43 0.00 0.00 0.02 0.00 0.00 54.97 57.60 1i8d s GLU 116 Cb 0.01 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 30.03 1i8d s GLU 116 CO 0.13 -1.26 0.00 0.09 0.02 0.00 0.00 175.26 174.23 1i8d n ASN 117 N 8.64 0.00 -4.15 -0.19 3.02 -1.26 -4.97 115.26 116.36 1i8d n ASN 117 Ca 0.22 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 1i8d n ASN 117 Cb 0.42 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 39.10 1i8d n ASN 117 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1i8d s ASN 118 N -3.22 1.20 -0.19 6.41 0.01 -0.99 -4.86 114.94 113.30 1i8d s ASN 118 Ca 0.00 -0.81 -0.08 0.00 -0.71 0.00 0.00 52.86 51.26 1i8d s ASN 118 Cb 0.00 0.04 0.08 0.00 0.41 0.00 0.00 41.25 41.79 1i8d s ASN 118 CO 0.00 -0.32 0.41 -0.60 -1.51 0.00 0.00 177.10 175.09 1i8d s ARG 119 N -2.84 0.34 -0.13 -0.60 3.52 -1.26 -1.44 118.95 116.53 1i8d s ARG 119 Ca 0.04 0.96 0.01 0.00 -0.13 0.00 0.00 55.73 56.62 1i8d s ARG 119 Cb -0.02 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1i8d s ARG 119 CO -0.01 -0.23 -0.17 -1.14 -0.81 0.00 0.00 175.30 172.94 1i8d s GLN 120 N 2.28 2.52 -0.06 5.12 0.74 -0.91 -0.33 119.66 129.01 1i8d s GLN 120 Ca -0.04 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 54.74 1i8d s GLN 120 Cb -0.11 -2.15 -0.03 0.00 1.10 0.00 0.00 33.01 31.82 1i8d s GLN 120 CO -0.13 -0.11 -0.12 0.42 -0.55 0.00 0.00 175.29 174.80 1i8d s ILE 121 N 1.11 3.28 -0.11 -2.34 1.01 -0.25 -1.42 121.20 122.48 1i8d s ILE 121 Ca -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1i8d s ILE 121 Cb -0.14 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1i8d s ILE 121 CO -0.05 0.59 -0.07 0.26 0.00 0.00 0.00 174.94 175.66 1i8d s TRP 122 N -0.66 2.94 0.04 3.97 0.52 -0.42 0.20 118.94 125.52 1i8d s TRP 122 Ca 0.10 -0.23 0.09 0.00 0.02 0.00 0.00 56.10 56.08 1i8d s TRP 122 Cb -0.11 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 1i8d s TRP 122 CO 0.01 0.09 -0.25 -0.06 0.02 0.00 0.00 176.95 176.76 1i8d s PHE 123 N -0.15 2.36 -0.20 -1.98 0.40 0.59 0.17 117.98 119.17 1i8d s PHE 123 Ca 0.02 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.91 1i8d s PHE 123 Cb -0.13 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 1i8d s PHE 123 CO 0.03 0.13 -0.02 -1.59 0.70 0.00 0.00 175.22 174.47 1i8d s LYS 124 N -1.23 3.54 0.25 0.44 -2.85 0.85 -1.92 119.74 118.82 1i8d s LYS 124 Ca 0.12 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 1i8d s LYS 124 Cb -0.10 -3.02 -0.09 0.00 -2.06 0.00 0.00 37.83 32.56 1i8d s LYS 124 CO 0.02 -0.02 1.09 0.14 0.10 0.00 0.00 175.35 176.68 1i8d s VAL 125 N 1.06 3.60 -0.02 1.79 -7.23 -0.77 -1.97 120.40 116.87 1i8d s VAL 125 Ca 0.02 1.55 -0.24 0.00 -1.81 0.00 0.00 61.98 61.49 1i8d s VAL 125 Cb -0.14 -3.99 -0.20 0.00 0.56 0.00 0.00 36.38 32.61 1i8d s VAL 125 CO 0.01 0.35 1.21 -0.61 -0.31 0.00 0.00 175.10 175.74 1i8d h GLN 126 N 4.15 0.14 -4.25 4.82 5.75 -1.89 -3.40 115.11 120.42 1i8d h GLN 126 Ca -0.46 -0.09 -0.73 0.00 -0.15 0.00 0.00 58.65 57.22 1i8d h GLN 126 Cb 1.21 0.01 -0.29 0.00 1.07 0.00 0.00 27.48 29.48 1i8d h GLN 126 CO 0.68 0.68 -0.37 0.34 -2.65 0.00 0.00 178.83 177.52 1i8d s ASP 127 N -5.98 5.74 0.60 -0.69 2.15 -1.26 -4.91 116.67 112.33 1i8d s ASP 127 Ca -0.16 -1.96 0.40 0.00 0.43 0.00 0.00 52.55 51.27 1i8d s ASP 127 Cb 0.02 -2.02 2.19 0.00 -0.30 0.00 0.00 42.92 42.81 1i8d s ASP 127 CO 0.71 -0.69 2.23 -1.28 -0.17 0.00 0.00 175.17 175.97 1i8d h SER 128 N 8.42 0.00 0.75 -0.34 0.87 -1.88 0.32 113.55 121.68 1i8d h SER 128 Ca -0.20 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1i8d h SER 128 Cb 1.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1i8d h SER 128 CO 0.86 0.00 -0.04 1.56 -0.53 0.00 0.00 176.83 178.69 1i8d h GLN 129 N 0.00 0.00 0.00 2.24 1.08 -1.92 -2.73 115.11 113.78 1i8d h GLN 129 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1i8d h GLN 129 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1i8d h GLN 129 CO 0.00 0.04 0.00 -0.07 -0.95 0.00 0.00 178.83 177.85 1i8d h LEU 130 N 0.00 0.00 -1.41 1.46 4.07 -0.77 -3.30 115.31 115.36 1i8d h LEU 130 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1i8d h LEU 130 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1i8d h LEU 130 CO 0.00 0.00 0.20 0.24 -1.08 0.00 0.00 178.44 177.81 1i8d h MET 131 N 0.00 0.00 0.00 1.13 2.86 -1.60 0.12 114.93 117.44 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 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 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 -2.35 0.04 0.00 1.72 2.85 -1.24 -2.19 118.16 116.98 1i8d n LYS 132 Ca -0.01 0.10 0.10 0.00 -1.05 0.00 0.00 58.31 57.44 1i8d n LYS 132 Cb 0.24 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 -1.47 0.00 -3.62 5.58 0.53 0.03 -4.79 117.16 113.42 1i8d n TYR 133 Ca 0.06 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.55 1i8d n TYR 133 Cb 0.26 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.48 1i8d n TYR 133 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1i8d s ILE 134 N -2.29 4.04 0.20 -0.72 1.01 -0.93 -4.63 121.20 117.88 1i8d s ILE 134 Ca 0.17 -2.26 0.06 0.00 0.00 0.00 0.00 60.65 58.62 1i8d s ILE 134 Cb 0.16 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1i8d s ILE 134 CO 0.52 -0.82 0.15 -0.76 0.00 0.00 0.00 174.94 174.03 1i8d s LEU 135 N 0.77 3.77 0.04 2.97 1.43 -1.26 -4.95 118.68 121.45 1i8d s LEU 135 Ca 0.11 -0.20 -0.33 0.00 -1.03 0.00 0.00 54.13 52.67 1i8d s LEU 135 Cb -0.22 -2.35 -0.12 0.00 0.03 0.00 0.00 46.19 43.53 1i8d s LEU 135 CO -0.03 0.03 1.77 0.00 0.23 0.00 0.00 176.35 178.34 1i8d n TYR 136 N -0.65 2.37 -1.00 0.29 9.36 -1.26 -0.68 117.16 125.59 1i8d n TYR 136 Ca -0.08 0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1i8d n TYR 136 Cb 0.56 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 1i8d n TYR 136 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1i8d n LYS 137 N 5.31 -0.70 -0.12 2.98 4.76 0.11 -4.99 118.16 125.51 1i8d n LYS 137 Ca 0.20 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1i8d n LYS 137 Cb 0.31 -3.71 0.00 0.00 -1.84 0.00 0.00 35.03 29.79 1i8d n LYS 137 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i8d n GLY 138 N -1.57 -0.47 3.64 0.72 0.00 0.14 -4.65 105.19 103.00 1i8d n GLY 138 Ca 0.00 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.31 2.74 -0.08 1.61 0.40 -1.26 -0.76 117.98 120.33 1i8d s PHE 139 Ca 0.00 -0.19 -0.22 0.00 -0.60 0.00 0.00 56.93 55.92 1i8d s PHE 139 Cb 0.00 -1.29 0.05 0.00 0.51 0.00 0.00 43.02 42.29 1i8d s PHE 139 CO 0.00 0.55 0.52 -1.50 0.70 0.00 0.00 175.22 175.49 1i8d s ILE 140 N -1.94 0.02 -0.18 0.64 1.10 -0.19 -4.29 121.20 116.35 1i8d s ILE 140 Ca 0.28 -0.16 -0.08 0.00 -0.51 0.00 0.00 60.65 60.18 1i8d s ILE 140 Cb -0.08 -0.80 -0.04 0.00 0.15 0.00 0.00 42.46 41.68 1i8d s ILE 140 CO 0.18 -0.09 0.08 -0.83 -2.11 0.00 0.00 174.94 172.17 1i8d s GLY 141 N -0.85 1.94 -0.20 1.50 0.00 -0.11 -1.09 107.32 108.51 1i8d s GLY 141 Ca -0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 1i8d s GLY 141 CO 0.06 0.07 -0.02 -0.42 0.00 0.00 0.00 173.10 172.78 1i8d s ILE 142 N 0.34 1.08 -1.11 0.90 -1.09 0.11 -1.61 121.20 119.82 1i8d s ILE 142 Ca 0.04 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1i8d s ILE 142 Cb -0.12 -1.41 0.01 0.00 -1.58 0.00 0.00 42.46 39.36 1i8d s ILE 142 CO -0.00 -0.09 0.06 0.47 -1.23 0.00 0.00 174.94 174.15 1i8d n ASP 143 N 4.85 -4.01 0.00 3.58 8.00 -0.21 0.06 116.55 128.82 1i8d n ASP 143 Ca -0.11 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1i8d n ASP 143 Cb 0.46 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 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 -0.86 0.77 3.69 0.44 0.00 -1.22 -3.11 105.19 104.90 1i8d n GLY 144 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.75 5.19 -0.12 -0.61 1.01 0.11 -4.16 121.20 119.86 1i8d s ILE 145 Ca 0.00 0.82 -0.27 0.00 0.00 0.00 0.00 60.65 61.20 1i8d s ILE 145 Cb 0.00 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1i8d s ILE 145 CO 0.00 0.27 0.90 -0.55 0.00 0.00 0.00 174.94 175.56 1i8d s SER 146 N 0.88 7.11 0.04 3.58 0.15 0.07 0.08 113.70 125.60 1i8d s SER 146 Ca 0.22 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1i8d s SER 146 Cb -0.15 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 1i8d s SER 146 CO 0.09 -0.38 -0.04 -0.76 1.20 0.00 0.00 173.24 173.34 1i8d s LEU 147 N 1.89 2.33 0.02 3.45 1.43 -0.25 -4.93 118.68 122.62 1i8d s LEU 147 Ca 0.43 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.58 1i8d s LEU 147 Cb -0.18 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1i8d s LEU 147 CO 0.16 -0.39 0.84 -0.89 0.23 0.00 0.00 176.35 176.31 1i8d s THR 148 N -2.32 4.81 -0.21 5.49 2.01 -1.26 -1.02 115.64 123.15 1i8d s THR 148 Ca -0.07 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.43 1i8d s THR 148 Cb -0.04 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1i8d s THR 148 CO -0.04 0.27 1.08 -0.69 -0.69 0.00 0.00 174.62 174.56 1i8d s VAL 149 N 0.47 4.60 0.00 3.82 1.01 0.06 -4.59 120.40 125.78 1i8d s VAL 149 Ca 0.44 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.35 1i8d s VAL 149 Cb -0.20 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1i8d s VAL 149 CO 0.24 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1i8d n GLY 150 N 3.36 0.90 3.77 4.51 0.00 0.69 0.06 105.19 118.48 1i8d n GLY 150 Ca 0.12 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1i8d n GLY 150 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i8d s GLU 151 N 0.08 4.18 0.15 1.61 1.03 -1.26 -4.27 118.70 120.23 1i8d s GLU 151 Ca 0.00 2.00 0.08 0.00 0.03 0.00 0.00 54.97 57.08 1i8d s GLU 151 Cb 0.00 -2.86 -0.04 0.00 -0.80 0.00 0.00 34.13 30.43 1i8d s GLU 151 CO 0.00 -0.26 -0.17 0.14 -1.33 0.00 0.00 175.26 173.64 1i8d s VAL 152 N -1.28 1.65 0.29 1.83 -7.23 -1.26 -0.82 120.40 113.59 1i8d s VAL 152 Ca 0.53 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1i8d s VAL 152 Cb -0.35 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1i8d s VAL 152 CO 0.45 -0.36 0.11 0.35 -0.31 0.00 0.00 175.10 175.33 1i8d n THR 153 N 0.34 0.00 0.24 5.32 -2.24 0.22 -4.97 114.28 113.19 1i8d n THR 153 Ca -0.14 -1.71 0.12 0.00 -2.27 0.00 0.00 64.05 60.05 1i8d n THR 153 Cb 0.57 0.61 0.53 0.00 -2.10 0.00 0.00 70.33 69.95 1i8d n THR 153 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1i8d h PRO 154 N 0.00 0.00 0.00 -0.78 0.11 -1.99 -3.28 132.00 126.07 1i8d h PRO 154 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1i8d h PRO 154 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1i8d h PRO 154 CO 0.36 0.16 -0.53 0.25 -0.21 0.00 0.00 178.00 178.04 1i8d n THR 155 N -3.33 0.00 -4.13 -1.15 -2.24 -1.26 -4.83 114.28 97.34 1i8d n THR 155 Ca 0.00 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 1i8d n THR 155 Cb 0.39 0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.56 1.39 0.12 -0.78 0.52 -1.24 -1.84 118.95 115.56 1i8d s ARG 156 Ca 0.00 -1.54 -0.12 0.00 -0.52 0.00 0.00 55.73 53.55 1i8d s ARG 156 Cb 0.01 0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.84 1i8d s ARG 156 CO 0.04 -0.51 0.31 -0.59 0.02 0.00 0.00 175.30 174.56 1i8d s PHE 157 N -4.01 0.01 0.29 -0.53 -0.12 -0.81 0.71 117.98 113.53 1i8d s PHE 157 Ca 0.33 -0.38 0.05 0.00 -0.05 0.00 0.00 56.93 56.88 1i8d s PHE 157 Cb 0.04 0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.47 1i8d s PHE 157 CO 0.12 -0.65 0.01 0.00 -0.05 0.00 0.00 175.22 174.65 1i8d s VAL 159 N -3.22 0.49 -0.19 0.00 -7.23 0.13 -0.22 120.40 110.17 1i8d s VAL 159 Ca 0.33 -0.61 -0.08 0.00 -1.81 0.00 0.00 61.98 59.80 1i8d s VAL 159 Cb 0.07 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1i8d s VAL 159 CO 0.13 -0.10 0.08 -1.00 -0.31 0.00 0.00 175.10 173.90 1i8d s HIS 160 N -0.68 3.30 0.16 2.82 3.76 -1.26 -1.09 115.29 122.30 1i8d s HIS 160 Ca -0.03 0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 1i8d s HIS 160 Cb -0.06 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1i8d s HIS 160 CO 0.00 0.20 0.19 -0.51 -0.85 0.00 0.00 174.74 173.77 1i8d s LEU 161 N 0.35 4.00 0.24 0.89 1.43 0.55 -4.94 118.68 121.19 1i8d s LEU 161 Ca 0.05 -0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 1i8d s LEU 161 Cb -0.12 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1i8d s LEU 161 CO -0.01 0.06 0.01 0.27 0.23 0.00 0.00 176.35 176.91 1i8d s ILE 162 N -1.75 3.57 0.26 -0.59 -4.36 -1.26 -4.30 121.20 112.77 1i8d s ILE 162 Ca 0.32 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 58.95 1i8d s ILE 162 Cb -0.10 -2.88 0.24 0.00 1.25 0.00 0.00 42.46 40.97 1i8d s ILE 162 CO 0.25 -0.30 1.78 -0.65 0.24 0.00 0.00 174.94 176.27 1i8d h PRO 163 N 2.10 0.69 -0.70 0.37 0.11 -1.99 -1.98 132.00 130.60 1i8d h PRO 163 Ca -0.45 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1i8d h PRO 163 Cb 1.24 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 32.10 1i8d h PRO 163 CO 0.59 0.46 0.27 1.49 -0.21 0.00 0.00 178.00 180.59 1i8d h GLU 164 N 0.71 0.41 -0.19 1.05 4.57 -1.98 0.13 114.58 119.29 1i8d h GLU 164 Ca 0.45 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1i8d h GLU 164 Cb 0.57 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1i8d h GLU 164 CO -0.32 0.27 0.11 1.15 -1.18 0.00 0.00 179.01 179.03 1i8d h THR 165 N 0.42 1.09 0.00 0.32 2.02 -1.77 -0.90 112.91 114.10 1i8d h THR 165 Ca 0.37 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1i8d h THR 165 Cb 0.54 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1i8d h THR 165 CO -0.37 0.09 -0.11 -0.07 0.37 0.00 0.00 175.52 175.43 1i8d h LEU 166 N 0.21 0.00 0.00 2.58 3.38 -1.07 -1.62 115.31 118.79 1i8d h LEU 166 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1i8d h LEU 166 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1i8d h LEU 166 CO -0.01 0.11 -1.03 -0.33 0.09 0.00 0.00 178.44 177.26 1i8d h GLU 167 N 0.00 0.00 0.00 1.13 5.08 -0.12 -3.39 114.58 117.27 1i8d h GLU 167 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1i8d h GLU 167 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1i8d h GLU 167 CO 0.01 0.07 -2.24 0.54 -1.00 0.00 0.00 179.01 176.40 1i8d n ARG 168 N -2.76 0.80 -3.33 2.33 1.74 -0.40 -5.03 116.66 110.01 1i8d n ARG 168 Ca -0.02 -0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 56.81 1i8d n ARG 168 Cb 0.62 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1i8d n ARG 168 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1i8d n THR 169 N -2.60 0.00 1.19 0.55 -2.24 -0.64 -4.44 114.28 106.10 1i8d n THR 169 Ca -0.25 -1.70 0.13 0.00 -2.27 0.00 0.00 64.05 59.96 1i8d n THR 169 Cb 0.99 -0.12 0.25 0.00 -2.10 0.00 0.00 70.33 69.36 1i8d n THR 169 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i8d n THR 170 N -1.48 0.00 -0.23 4.28 -2.24 -1.26 -4.48 114.28 108.87 1i8d n THR 170 Ca -0.02 -0.31 0.03 0.00 -2.27 0.00 0.00 64.05 61.47 1i8d n THR 170 Cb 0.49 0.97 0.15 0.00 -2.10 0.00 0.00 70.33 69.83 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 2.95 0.12 -1.29 3.22 6.46 -1.90 -0.68 115.31 124.20 1i8d h LEU 171 Ca 0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1i8d h LEU 171 Cb 0.72 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1i8d h LEU 171 CO 0.00 0.05 0.00 1.23 -0.62 0.00 0.00 178.44 179.10 1i8d h GLY 172 N 0.34 0.00 -1.90 3.75 0.00 -1.82 -2.28 103.07 101.16 1i8d h GLY 172 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1i8d h GLY 172 CO -0.41 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.41 1i8d n LYS 173 N -2.35 2.31 -2.87 4.80 5.02 -0.26 -4.91 118.16 119.89 1i8d n LYS 173 Ca -0.00 -1.95 -0.41 0.00 -2.02 0.00 0.00 58.31 53.93 1i8d n LYS 173 Cb 0.12 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.75 4.49 0.60 1.97 1.02 -0.86 -5.03 119.74 120.19 1i8d s LYS 174 Ca 0.34 1.15 -0.03 0.00 0.02 0.00 0.00 55.97 57.45 1i8d s LYS 174 Cb 0.21 -3.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1i8d s LYS 174 CO 0.31 -0.02 0.87 0.15 -0.92 0.00 0.00 175.35 175.74 1i8d s LYS 175 N 0.99 2.53 0.40 1.68 1.02 -1.26 -4.97 119.74 120.14 1i8d s LYS 175 Ca 0.45 -0.42 -0.25 0.00 0.02 0.00 0.00 55.97 55.76 1i8d s LYS 175 Cb -0.19 -2.34 -0.11 0.00 -0.52 0.00 0.00 37.83 34.67 1i8d s LYS 175 CO 0.22 -0.86 1.02 1.28 -0.92 0.00 0.00 175.35 176.10 1i8d n LEU 176 N -2.57 2.58 0.00 3.17 4.77 -1.26 -1.54 117.00 122.15 1i8d n LEU 176 Ca 0.07 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1i8d n LEU 176 Cb 0.59 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1i8d n LEU 176 CO 0.49 -1.42 0.00 0.61 -1.33 0.00 0.00 177.39 175.74 1i8d n GLY 177 N 1.16 2.75 3.54 -0.72 0.00 -0.08 -4.96 105.19 106.88 1i8d n GLY 177 Ca 0.09 -0.12 -0.46 0.00 0.00 0.00 0.00 46.02 45.53 1i8d n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8d n ALA 178 N 0.00 -1.05 -2.67 4.61 0.00 -0.59 -4.48 120.51 116.33 1i8d n ALA 178 Ca 0.00 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.49 1i8d n ALA 178 Cb 0.00 -1.91 -0.09 0.00 0.00 0.00 0.00 19.45 17.45 1i8d n ALA 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1i8d s ARG 179 N -1.24 4.11 0.02 0.00 3.52 -1.26 -1.46 118.95 122.64 1i8d s ARG 179 Ca 0.62 -0.13 0.08 0.00 -0.13 0.00 0.00 55.73 56.17 1i8d s ARG 179 Cb -0.79 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 1i8d s ARG 179 CO 0.58 0.06 -0.22 0.14 -0.81 0.00 0.00 175.30 175.05 1i8d s VAL 180 N 1.03 2.43 0.16 7.11 -7.23 0.50 -4.85 120.40 119.55 1i8d s VAL 180 Ca 0.11 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1i8d s VAL 180 Cb -0.14 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.77 1i8d s VAL 180 CO 0.05 0.43 1.24 0.20 -0.31 0.00 0.00 175.10 176.71 1i8d s ASN 181 N -1.11 7.02 -0.03 4.85 0.01 -1.26 -0.70 114.94 123.72 1i8d s ASN 181 Ca 0.12 2.24 0.03 0.00 -0.71 0.00 0.00 52.86 54.54 1i8d s ASN 181 Cb -0.10 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 1i8d s ASN 181 CO 0.02 -0.46 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.41 1i8d s ILE 182 N 0.33 3.31 -0.07 0.60 -1.09 0.12 -1.04 121.20 123.36 1i8d s ILE 182 Ca 0.56 -0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1i8d s ILE 182 Cb -0.33 -2.36 0.03 0.00 -1.58 0.00 0.00 42.46 38.21 1i8d s ILE 182 CO 0.35 0.50 0.01 -0.70 -1.23 0.00 0.00 174.94 173.87 1i8d s GLU 183 N -1.03 0.53 0.33 2.79 2.12 -0.63 -4.09 118.70 118.72 1i8d s GLU 183 Ca 0.14 0.13 -0.28 0.00 0.36 0.00 0.00 54.97 55.32 1i8d s GLU 183 Cb -0.11 -0.93 -0.09 0.00 0.26 0.00 0.00 34.13 33.26 1i8d s GLU 183 CO 0.03 -0.31 1.14 0.42 -0.54 0.00 0.00 175.26 176.01 1i8d s ILE 184 N 1.99 3.30 -0.08 -3.70 1.09 -1.26 -0.93 121.20 121.62 1i8d s ILE 184 Ca 0.05 1.22 -0.31 0.00 -1.10 0.00 0.00 60.65 60.51 1i8d s ILE 184 Cb -0.12 -3.74 -0.09 0.00 -1.06 0.00 0.00 42.46 37.44 1i8d s ILE 184 CO -0.05 0.22 2.00 -0.67 -0.10 0.00 0.00 174.94 176.35 1i8d n ASP 185 N 0.71 3.65 -0.19 3.58 2.03 -1.26 -4.84 116.55 120.23 1i8d n ASP 185 Ca 0.01 0.77 -0.01 0.00 0.52 0.00 0.00 54.79 56.08 1i8d n ASP 185 Cb 0.45 -1.46 0.10 0.00 -0.72 0.00 0.00 41.12 39.48 1i8d n ASP 185 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1i8d h PRO 186 N 11.07 0.34 -0.53 -0.67 0.11 -1.92 0.54 132.00 140.96 1i8d h PRO 186 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1i8d h PRO 186 Cb 1.26 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1i8d h PRO 186 CO 0.95 0.22 0.22 0.37 -0.21 0.00 0.00 178.00 179.56 1i8d h GLN 187 N 0.35 0.75 -0.17 1.05 4.15 -1.88 -0.42 115.11 118.93 1i8d h GLN 187 Ca 0.29 -0.10 -0.10 0.00 0.77 0.00 0.00 58.65 59.51 1i8d h GLN 187 Cb 0.37 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1i8d h GLN 187 CO -0.32 0.60 -0.27 1.15 -1.93 0.00 0.00 178.83 178.07 1i8d h THR 188 N 0.74 1.35 -0.68 2.39 2.02 -1.34 -2.21 112.91 115.18 1i8d h THR 188 Ca 0.18 -1.49 0.04 0.00 0.77 0.00 0.00 66.41 65.92 1i8d h THR 188 Cb 0.12 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 1i8d h THR 188 CO -0.02 0.45 0.40 -0.61 0.37 0.00 0.00 175.52 176.11 1i8d h GLN 189 N 0.12 0.74 -0.24 6.66 4.15 -0.72 -1.22 115.11 124.59 1i8d h GLN 189 Ca 0.02 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1i8d h GLN 189 Cb 0.84 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 1i8d h GLN 189 CO 0.06 0.49 0.03 0.00 -1.93 0.00 0.00 178.83 177.48 1i8d h ALA 190 N 1.32 0.23 -0.62 3.38 0.00 -1.00 0.99 119.26 123.57 1i8d h ALA 190 Ca 0.29 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1i8d h ALA 190 Cb 0.11 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1i8d h ALA 190 CO -0.15 -0.39 0.37 0.28 0.00 0.00 0.00 179.25 179.36 1i8d h VAL 191 N 0.11 1.05 -0.27 0.00 2.07 -0.92 -0.17 116.25 118.12 1i8d h VAL 191 Ca 0.11 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1i8d h VAL 191 Cb 0.13 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1i8d h VAL 191 CO -0.16 0.13 -0.03 0.58 0.02 0.00 0.00 177.57 178.11 1i8d h VAL 192 N 0.72 1.27 -0.73 2.57 2.07 -0.76 -1.85 116.25 119.54 1i8d h VAL 192 Ca 0.26 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1i8d h VAL 192 Cb 0.06 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1i8d h VAL 192 CO -0.12 0.31 0.25 0.44 0.02 0.00 0.00 177.57 178.47 1i8d h ASP 193 N 0.27 1.04 -0.60 0.57 3.32 -0.62 -2.22 116.42 118.19 1i8d h ASP 193 Ca 0.07 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 1i8d h ASP 193 Cb 0.47 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1i8d h ASP 193 CO 0.02 0.95 0.23 0.74 -1.72 0.00 0.00 179.24 179.46 1i8d h THR 194 N 1.08 1.23 -0.38 0.35 2.02 -0.96 -1.99 112.91 114.27 1i8d h THR 194 Ca 0.24 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 1i8d h THR 194 Cb 0.27 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1i8d h THR 194 CO -0.01 0.30 -0.14 0.58 0.37 0.00 0.00 175.52 176.61 1i8d h VAL 195 N 0.92 1.28 -0.58 3.16 2.07 -0.82 -1.92 116.25 120.36 1i8d h VAL 195 Ca 0.21 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1i8d h VAL 195 Cb 0.22 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1i8d h VAL 195 CO -0.01 0.42 0.36 -0.33 0.02 0.00 0.00 177.57 178.02 1i8d h GLU 196 N 0.56 0.70 -0.55 1.57 5.08 -1.15 0.18 114.58 120.97 1i8d h GLU 196 Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1i8d h GLU 196 Cb 0.68 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1i8d h GLU 196 CO 0.05 0.46 0.34 0.00 -1.00 0.00 0.00 179.01 178.86 1i8d h ARG 197 N 0.72 0.74 -0.02 2.33 3.08 -1.32 0.30 114.38 120.21 1i8d h ARG 197 Ca 0.23 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1i8d h ARG 197 Cb -0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1i8d h ARG 197 CO -0.09 0.52 -0.01 0.28 -1.07 0.00 0.00 179.97 179.60 1i8d h VAL 198 N 0.74 0.96 -0.12 2.04 2.07 -0.54 0.18 116.25 121.58 1i8d h VAL 198 Ca 0.20 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 1i8d h VAL 198 Cb -0.04 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1i8d h VAL 198 CO -0.04 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.43 1i8d h LEU 199 N -0.02 0.16 -0.01 2.57 3.38 -0.11 0.10 115.31 121.39 1i8d h LEU 199 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1i8d h LEU 199 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1i8d h LEU 199 CO -0.03 0.24 -0.02 0.00 0.09 0.00 0.00 178.44 178.73 1i8d h ALA 200 N 1.78 0.01 -0.77 1.53 0.00 -0.04 -1.33 119.26 120.45 1i8d h ALA 200 Ca 0.04 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 54.77 1i8d h ALA 200 Cb 0.20 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1i8d h ALA 200 CO 0.01 -0.18 0.37 0.00 0.00 0.00 0.00 179.25 179.45 1i8d h ALA 201 N 0.43 1.10 -0.27 0.00 0.00 -0.12 -0.48 119.26 119.92 1i8d h ALA 201 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1i8d h ALA 201 Cb 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1i8d h ALA 201 CO 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 179.25 178.79 1i8d h ARG 202 N 0.58 0.62 -0.38 0.00 3.08 -0.77 -1.92 114.38 115.59 1i8d h ARG 202 Ca 0.40 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1i8d h ARG 202 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1i8d h ARG 202 CO -0.33 0.90 0.06 1.49 -1.07 0.00 0.00 179.97 181.02 1i8d h GLU 203 N 0.51 0.58 0.06 0.04 4.81 0.06 -2.67 114.58 117.98 1i8d h GLU 203 Ca 0.05 -0.11 -0.26 0.00 -0.13 0.00 0.00 59.36 58.91 1i8d h GLU 203 Cb 0.89 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.20 1i8d h GLU 203 CO 0.08 0.56 -1.06 -0.91 -0.73 0.00 0.00 179.01 176.94 1i8d h ASN 204 N 0.56 0.83 0.02 1.04 2.35 -1.02 -3.09 115.58 116.26 1i8d h ASN 204 Ca 0.13 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1i8d h ASN 204 Cb 0.27 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1i8d h ASN 204 CO 0.00 1.52 0.00 0.00 -1.65 0.00 0.00 177.43 177.31 1i8d n ALA 205 N -2.66 1.15 0.78 -0.83 0.00 -0.74 -5.12 120.51 113.10 1i8d n ALA 205 Ca -0.12 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1i8d n ALA 205 Cb 0.90 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 19.42 1i8d n ALA 205 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38