#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2z s LYS 2 N 0.00 2.01 -0.07 2.12 -0.14 0.32 -4.90 119.74 119.07 1a2z s LYS 2 Ca 0.00 -0.33 0.01 0.00 -1.36 0.00 0.00 55.97 54.30 1a2z s LYS 2 Cb 0.00 -2.15 0.02 0.00 -1.68 0.00 0.00 37.83 34.02 1a2z s LYS 2 CO 0.00 -1.37 -0.10 0.15 -0.76 0.00 0.00 175.35 173.27 1a2z s LYS 3 N -5.31 1.55 -0.07 1.68 1.02 -1.26 -0.83 119.74 116.52 1a2z s LYS 3 Ca 0.62 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.31 1a2z s LYS 3 Cb -0.10 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.81 1a2z s LYS 3 CO 0.46 -0.06 -0.17 0.08 -0.92 0.00 0.00 175.35 174.73 1a2z s VAL 4 N 0.96 2.76 -0.16 3.17 1.01 -0.14 -1.23 120.40 126.78 1a2z s VAL 4 Ca -0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1a2z s VAL 4 Cb -0.15 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1a2z s VAL 4 CO 0.00 0.57 -0.05 -0.22 0.00 0.00 0.00 175.10 175.40 1a2z s LEU 5 N -0.27 3.18 -0.19 3.92 2.96 -0.29 -0.54 118.68 127.45 1a2z s LEU 5 Ca 0.01 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1a2z s LEU 5 Cb -0.13 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1a2z s LEU 5 CO 0.03 0.16 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.53 1a2z s ILE 6 N 0.44 3.51 0.11 6.68 -1.09 0.46 -1.00 121.20 130.29 1a2z s ILE 6 Ca -0.04 -0.47 0.06 0.00 -2.23 0.00 0.00 60.65 57.97 1a2z s ILE 6 Cb -0.14 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1a2z s ILE 6 CO 0.03 0.46 -0.04 0.42 -1.23 0.00 0.00 174.94 174.57 1a2z s THR 7 N 0.97 3.69 0.00 2.92 -4.23 -0.87 -0.52 115.64 117.59 1a2z s THR 7 Ca -0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1a2z s THR 7 Cb -0.15 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1a2z s THR 7 CO 0.01 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1a2z n GLY 8 N 0.53 4.73 3.14 3.99 0.00 0.39 0.09 105.19 118.06 1a2z n GLY 8 Ca -0.12 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1a2z n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a2z s PHE 9 N -1.21 0.92 0.86 1.61 0.08 -1.26 -0.92 117.98 118.06 1a2z s PHE 9 Ca 0.00 -0.67 -0.12 0.00 0.12 0.00 0.00 56.93 56.26 1a2z s PHE 9 Cb 0.00 -0.52 0.11 0.00 -0.57 0.00 0.00 43.02 42.04 1a2z s PHE 9 CO 0.00 -0.06 1.10 -1.21 -0.10 0.00 0.00 175.22 174.95 1a2z s GLU 10 N -2.68 1.54 0.45 0.44 2.02 -0.52 -3.44 118.70 116.51 1a2z s GLU 10 Ca 0.03 0.62 -0.24 0.00 0.02 0.00 0.00 54.97 55.39 1a2z s GLU 10 Cb -0.03 -1.86 -0.09 0.00 0.10 0.00 0.00 34.13 32.25 1a2z s GLU 10 CO -0.01 -1.99 1.15 -2.30 0.02 0.00 0.00 175.26 172.13 1a2z n PRO 11 N -3.68 1.59 -4.03 0.39 -0.02 -1.26 -4.78 135.00 123.20 1a2z n PRO 11 Ca 0.07 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1a2z n PRO 11 Cb 0.57 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 1a2z n PRO 11 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1a2z s PHE 12 N -1.27 0.58 0.00 6.00 5.36 -1.25 -4.89 117.98 122.51 1a2z s PHE 12 Ca 0.64 -0.92 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 1a2z s PHE 12 Cb -0.51 -0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.02 1a2z s PHE 12 CO 0.55 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 1a2z n GLY 13 N -0.24 1.61 0.64 13.12 0.00 -1.26 -2.60 105.19 116.46 1a2z n GLY 13 Ca -0.05 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.47 1a2z n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2z n GLY 14 N 0.00 0.33 3.69 -0.02 0.00 -1.26 -4.88 105.19 103.05 1a2z n GLY 14 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1a2z n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a2z s ASP 15 N -2.11 6.97 0.19 1.61 1.01 -1.07 -4.91 116.67 118.36 1a2z s ASP 15 Ca 0.30 2.00 0.26 0.00 0.71 0.00 0.00 52.55 55.82 1a2z s ASP 15 Cb 0.20 -2.56 0.80 0.00 1.01 0.00 0.00 42.92 42.36 1a2z s ASP 15 CO 0.37 -0.61 1.75 -1.54 0.21 0.00 0.00 175.17 175.35 1a2z n SER 16 N 4.92 0.77 -4.27 0.27 3.41 -1.26 -3.78 113.62 113.69 1a2z n SER 16 Ca 0.11 0.54 -0.15 0.00 -0.26 0.00 0.00 58.87 59.12 1a2z n SER 16 Cb 0.45 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 1a2z n SER 16 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1a2z s LYS 17 N -3.10 1.13 -0.12 4.33 1.02 -1.26 -4.81 119.74 116.93 1a2z s LYS 17 Ca 0.11 -1.51 -0.02 0.00 0.02 0.00 0.00 55.97 54.57 1a2z s LYS 17 Cb 0.13 -0.59 0.04 0.00 -0.52 0.00 0.00 37.83 36.88 1a2z s LYS 17 CO 0.60 0.02 0.01 1.21 -0.92 0.00 0.00 175.35 176.27 1a2z s ASN 18 N -3.20 2.09 0.61 2.83 3.84 -1.26 -4.68 114.94 115.17 1a2z s ASN 18 Ca 0.20 -0.36 0.38 0.00 0.21 0.00 0.00 52.86 53.29 1a2z s ASN 18 Cb 0.04 -0.52 2.02 0.00 -0.55 0.00 0.00 41.25 42.24 1a2z s ASN 18 CO 0.03 -0.23 2.25 1.55 -2.79 0.00 0.00 177.10 177.91 1a2z h PRO 19 N 8.29 0.00 0.00 0.43 0.13 -1.91 -0.77 132.00 138.17 1a2z h PRO 19 Ca -0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1a2z h PRO 19 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1a2z h PRO 19 CO 0.30 0.02 -0.19 1.79 -0.23 0.00 0.00 178.00 179.69 1a2z h THR 20 N 0.00 0.45 -0.15 1.56 1.35 -1.91 0.06 112.91 114.27 1a2z h THR 20 Ca -0.00 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 1a2z h THR 20 Cb 0.13 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1a2z h THR 20 CO 0.00 0.18 -0.08 -0.08 -0.25 0.00 0.00 175.52 175.29 1a2z h GLU 21 N 0.00 0.32 -0.51 4.72 4.81 -1.16 -0.05 114.58 122.72 1a2z h GLU 21 Ca -0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1a2z h GLU 21 Cb 0.74 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1a2z h GLU 21 CO 0.02 0.65 0.16 1.96 -0.73 0.00 0.00 179.01 181.07 1a2z h GLN 22 N -0.02 0.75 -0.09 1.92 7.50 -1.38 -1.23 115.11 122.56 1a2z h GLN 22 Ca 0.03 -0.13 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 1a2z h GLN 22 Cb 0.56 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 1a2z h GLN 22 CO 0.02 0.65 -0.14 0.82 -1.50 0.00 0.00 178.83 178.69 1a2z h ILE 23 N 0.73 1.39 -0.79 2.54 2.04 -0.91 -1.14 117.51 121.38 1a2z h ILE 23 Ca 0.17 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1a2z h ILE 23 Cb 0.22 2.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1a2z h ILE 23 CO -0.01 0.40 0.45 0.00 0.00 0.00 0.00 178.15 178.99 1a2z h ALA 24 N 0.52 1.01 -0.64 1.87 0.00 -0.89 -1.86 119.26 119.27 1a2z h ALA 24 Ca 0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1a2z h ALA 24 Cb 0.71 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1a2z h ALA 24 CO 0.03 0.51 0.20 0.87 0.00 0.00 0.00 179.25 180.86 1a2z h LYS 25 N 1.09 0.98 -0.29 0.00 1.57 -1.18 -2.07 116.57 116.68 1a2z h LYS 25 Ca 0.28 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1a2z h LYS 25 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1a2z h LYS 25 CO -0.05 0.85 0.18 -0.92 -0.57 0.00 0.00 179.45 178.94 1a2z h TYR 26 N 0.95 0.37 0.00 -1.35 3.20 -0.71 -2.90 116.97 116.53 1a2z h TYR 26 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1a2z h TYR 26 Cb 0.28 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1a2z h TYR 26 CO 0.02 0.26 0.00 0.74 -1.64 0.00 0.00 178.16 177.54 1a2z h PHE 27 N 0.37 0.00 -3.04 -3.82 0.04 -1.15 -3.45 116.94 105.89 1a2z h PHE 27 Ca 0.10 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.35 1a2z h PHE 27 Cb -0.01 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.21 1a2z h PHE 27 CO -0.05 0.00 0.93 0.34 -0.60 0.00 0.00 178.31 178.93 1a2z s ASP 28 N -4.61 6.40 -1.60 2.17 2.15 -0.80 -2.29 116.67 118.09 1a2z s ASP 28 Ca 0.09 2.89 -0.04 0.00 0.43 0.00 0.00 52.55 55.93 1a2z s ASP 28 Cb 0.11 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.12 1a2z s ASP 28 CO 0.57 -0.93 0.46 0.54 -0.17 0.00 0.00 175.17 175.64 1a2z n ARG 29 N 3.00 -4.09 -4.21 4.34 1.74 0.27 -4.86 116.66 112.84 1a2z n ARG 29 Ca 0.11 0.92 -0.30 0.00 -0.77 0.00 0.00 57.85 57.81 1a2z n ARG 29 Cb 0.37 -5.73 -0.09 0.00 -1.02 0.00 0.00 32.46 25.98 1a2z n ARG 29 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a2z s LYS 30 N -5.56 2.31 -0.13 5.56 1.02 -0.97 -4.95 119.74 117.02 1a2z s LYS 30 Ca 0.23 -0.93 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 1a2z s LYS 30 Cb -0.10 -2.40 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1a2z s LYS 30 CO 0.29 0.53 0.23 -0.65 -0.92 0.00 0.00 175.35 174.82 1a2z s GLN 31 N -2.17 3.93 -0.08 1.68 -0.21 -1.26 -0.76 119.66 120.79 1a2z s GLN 31 Ca 0.23 0.01 0.02 0.00 0.02 0.00 0.00 55.36 55.63 1a2z s GLN 31 Cb -0.11 -3.32 0.01 0.00 1.00 0.00 0.00 33.01 30.59 1a2z s GLN 31 CO 0.15 0.49 -0.14 0.42 -2.12 0.00 0.00 175.29 174.09 1a2z s ILE 32 N -0.27 1.30 0.00 1.08 1.01 -0.56 -4.97 121.20 118.80 1a2z s ILE 32 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1a2z s ILE 32 Cb -0.13 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1a2z s ILE 32 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1a2z n GLY 33 N 3.93 2.77 2.29 6.18 0.00 -1.26 -1.44 105.19 117.66 1a2z n GLY 33 Ca -0.21 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1a2z n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a2z n ASN 34 N 1.19 7.40 -4.18 1.61 4.05 -1.26 -4.94 115.26 119.13 1a2z n ASN 34 Ca 0.00 -3.73 -0.12 0.00 0.45 0.00 0.00 54.58 51.18 1a2z n ASN 34 Cb 0.00 -0.98 -0.10 0.00 1.23 0.00 0.00 39.78 39.93 1a2z n ASN 34 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1a2z s ALA 35 N -3.66 1.08 -0.18 5.20 0.00 -0.52 -0.53 121.76 123.16 1a2z s ALA 35 Ca 0.62 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1a2z s ALA 35 Cb 0.49 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 1a2z s ALA 35 CO -0.00 -0.16 0.15 1.41 0.00 0.00 0.00 175.76 177.16 1a2z s MET 36 N -3.51 4.03 -0.11 0.00 1.75 -0.01 -1.49 119.30 119.96 1a2z s MET 36 Ca 0.11 -0.17 -0.05 0.00 -1.25 0.00 0.00 55.69 54.32 1a2z s MET 36 Cb 0.02 -3.37 -0.04 0.00 2.84 0.00 0.00 34.83 34.29 1a2z s MET 36 CO -0.02 0.40 0.09 0.08 -0.65 0.00 0.00 175.02 174.91 1a2z s VAL 37 N 0.05 5.04 -0.15 10.11 1.01 0.06 -0.96 120.40 135.56 1a2z s VAL 37 Ca 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1a2z s VAL 37 Cb -0.11 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1a2z s VAL 37 CO -0.00 0.61 -0.12 -0.31 0.00 0.00 0.00 175.10 175.28 1a2z s TYR 38 N -0.92 2.84 -0.13 5.22 1.51 0.30 -0.57 117.35 125.61 1a2z s TYR 38 Ca 0.14 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 1a2z s TYR 38 Cb -0.12 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1a2z s TYR 38 CO 0.03 -0.32 -0.15 0.20 -1.11 0.00 0.00 175.55 174.20 1a2z s GLY 39 N 0.65 1.49 0.03 0.71 0.00 -1.26 -0.41 107.32 108.53 1a2z s GLY 39 Ca -0.06 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1a2z s GLY 39 CO 0.03 -0.18 -0.08 0.50 0.00 0.00 0.00 173.10 173.36 1a2z s ARG 40 N 0.42 0.57 -0.20 2.90 1.81 0.32 -4.75 118.95 120.01 1a2z s ARG 40 Ca -0.12 -0.58 -0.05 0.00 -1.72 0.00 0.00 55.73 53.27 1a2z s ARG 40 Cb -0.16 -0.45 -0.02 0.00 -0.45 0.00 0.00 34.95 33.86 1a2z s ARG 40 CO 0.06 0.10 -0.02 0.08 -0.68 0.00 0.00 175.30 174.84 1a2z s VAL 41 N -0.88 3.79 0.14 3.52 1.01 -1.26 -0.46 120.40 126.25 1a2z s VAL 41 Ca -0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1a2z s VAL 41 Cb -0.07 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 1a2z s VAL 41 CO 0.00 0.43 0.45 -0.76 0.00 0.00 0.00 175.10 175.22 1a2z s LEU 42 N 1.07 4.28 0.61 3.92 1.43 -0.10 -4.87 118.68 125.02 1a2z s LEU 42 Ca 0.02 0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 1a2z s LEU 42 Cb -0.14 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1a2z s LEU 42 CO 0.01 0.08 1.03 -2.16 0.23 0.00 0.00 176.35 175.54 1a2z s PRO 43 N -2.32 3.44 -1.27 1.29 0.04 -1.26 -1.43 135.00 133.49 1a2z s PRO 43 Ca 0.39 0.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 1a2z s PRO 43 Cb -0.13 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.49 1a2z s PRO 43 CO 0.21 -0.69 1.67 0.28 0.04 0.00 0.00 177.00 178.51 1a2z n VAL 44 N -2.37 4.15 -3.48 -0.36 0.31 -1.26 -4.50 118.33 110.81 1a2z n VAL 44 Ca 0.07 -4.37 -0.02 0.00 -0.01 0.00 0.00 64.34 60.01 1a2z n VAL 44 Cb 0.54 -2.43 -0.05 0.00 -0.91 0.00 0.00 33.84 30.99 1a2z n VAL 44 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1a2z s SER 45 N 2.66 -0.85 0.14 4.52 0.15 -1.26 -0.90 113.70 118.16 1a2z s SER 45 Ca 0.45 1.10 -0.19 0.00 0.70 0.00 0.00 55.95 58.01 1a2z s SER 45 Cb 0.03 1.92 0.02 0.00 -1.71 0.00 0.00 66.02 66.28 1a2z s SER 45 CO 0.01 -0.24 1.69 0.58 1.20 0.00 0.00 173.24 176.48 1a2z h VAL 46 N 6.06 0.72 0.41 4.45 2.07 -1.96 0.30 116.25 128.30 1a2z h VAL 46 Ca -0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1a2z h VAL 46 Cb 1.12 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1a2z h VAL 46 CO 0.17 0.00 -0.20 0.50 0.02 0.00 0.00 177.57 178.06 1a2z h LYS 47 N -0.00 -0.53 -0.01 1.57 3.64 -1.97 -1.97 116.57 117.29 1a2z h LYS 47 Ca 0.13 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1a2z h LYS 47 Cb 0.21 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1a2z h LYS 47 CO -0.29 -0.36 -0.78 0.00 -2.27 0.00 0.00 179.45 175.76 1a2z h ARG 48 N -0.56 0.11 -0.22 1.90 3.08 -1.92 -3.05 114.38 113.73 1a2z h ARG 48 Ca -0.06 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1a2z h ARG 48 Cb 0.43 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1a2z h ARG 48 CO 0.09 0.83 -0.16 0.00 -1.07 0.00 0.00 179.97 179.66 1a2z h ALA 49 N 1.14 1.33 0.22 0.04 0.00 -0.38 -0.65 119.26 120.96 1a2z h ALA 49 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1a2z h ALA 49 Cb 1.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a2z h ALA 49 CO 0.11 0.45 -0.11 1.15 0.00 0.00 0.00 179.25 180.86 1a2z h THR 50 N 0.34 0.82 -0.26 0.00 2.02 -1.27 0.25 112.91 114.80 1a2z h THR 50 Ca 0.06 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1a2z h THR 50 Cb 0.49 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1a2z h THR 50 CO 0.03 0.05 0.08 0.40 0.37 0.00 0.00 175.52 176.45 1a2z h ILE 51 N -0.41 1.20 -0.26 3.11 2.04 -1.40 -2.20 117.51 119.58 1a2z h ILE 51 Ca -0.03 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 1a2z h ILE 51 Cb 0.31 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1a2z h ILE 51 CO 0.05 0.21 -0.00 -0.33 0.00 0.00 0.00 178.15 178.07 1a2z h GLU 52 N 0.26 0.47 -0.33 2.37 5.08 -1.07 -1.55 114.58 119.81 1a2z h GLU 52 Ca 0.08 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1a2z h GLU 52 Cb 0.24 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1a2z h GLU 52 CO -0.00 0.63 0.17 1.25 -1.00 0.00 0.00 179.01 180.06 1a2z h LEU 53 N 0.25 0.26 -0.91 1.33 5.85 -0.94 0.94 115.31 122.08 1a2z h LEU 53 Ca 0.07 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1a2z h LEU 53 Cb 0.43 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1a2z h LEU 53 CO 0.01 0.19 0.56 0.50 -0.34 0.00 0.00 178.44 179.36 1a2z h LYS 54 N 0.35 1.24 -0.06 1.25 3.64 -1.33 -0.96 116.57 120.71 1a2z h LYS 54 Ca 0.14 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1a2z h LYS 54 Cb 0.04 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1a2z h LYS 54 CO -0.09 0.86 0.01 -0.09 -2.27 0.00 0.00 179.45 177.88 1a2z h ARG 55 N 1.25 0.04 -0.77 1.90 2.43 -0.65 -0.15 114.38 118.44 1a2z h ARG 55 Ca 0.33 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1a2z h ARG 55 Cb -0.06 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1a2z h ARG 55 CO -0.06 0.03 0.48 1.88 -1.51 0.00 0.00 179.97 180.79 1a2z h TYR 56 N 0.04 0.99 -0.48 2.20 0.05 -0.44 0.09 116.97 119.42 1a2z h TYR 56 Ca 0.03 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1a2z h TYR 56 Cb 0.02 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.41 1a2z h TYR 56 CO -0.10 0.64 0.29 -0.07 -1.05 0.00 0.00 178.16 177.88 1a2z h LEU 57 N 1.04 0.57 -0.60 3.88 3.38 -0.85 -1.49 115.31 121.24 1a2z h LEU 57 Ca 0.28 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 1a2z h LEU 57 Cb -0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1a2z h LEU 57 CO -0.06 0.45 -0.65 -0.33 0.09 0.00 0.00 178.44 177.95 1a2z h GLU 58 N 0.64 0.22 0.01 1.13 5.08 -0.65 -0.76 114.58 120.25 1a2z h GLU 58 Ca 0.17 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1a2z h GLU 58 Cb -0.02 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1a2z h GLU 58 CO -0.03 0.79 -0.62 0.93 -1.00 0.00 0.00 179.01 179.07 1a2z h GLU 59 N 0.15 0.40 0.06 2.33 5.08 -0.88 -3.35 114.58 118.38 1a2z h GLU 59 Ca -0.01 -0.45 -0.28 0.00 -1.00 0.00 0.00 59.36 57.62 1a2z h GLU 59 Cb 1.17 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1a2z h GLU 59 CO 0.10 1.12 -1.46 0.82 -1.00 0.00 0.00 179.01 178.59 1a2z h ILE 60 N -0.13 1.20 -6.19 3.13 2.04 -1.36 -3.49 117.51 112.72 1a2z h ILE 60 Ca -0.08 -2.91 -0.42 0.00 1.00 0.00 0.00 64.86 62.45 1a2z h ILE 60 Cb 1.34 2.70 0.09 0.00 -0.74 0.00 0.00 36.82 40.21 1a2z h ILE 60 CO 0.12 0.78 -0.93 0.29 0.00 0.00 0.00 178.15 178.41 1a2z n LYS 61 N -3.34 -1.38 -2.31 2.37 5.02 -0.29 -4.91 118.16 113.32 1a2z n LYS 61 Ca -0.13 0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 56.29 1a2z n LYS 61 Cb 1.02 -4.24 -0.01 0.00 -0.02 0.00 0.00 35.03 31.78 1a2z n LYS 61 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1a2z s PRO 62 N -5.90 3.46 0.12 1.97 0.04 -1.26 -4.90 135.00 128.53 1a2z s PRO 62 Ca 0.46 1.58 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1a2z s PRO 62 Cb -0.16 -2.04 -0.20 0.00 0.04 0.00 0.00 34.50 32.14 1a2z s PRO 62 CO 0.85 -0.75 1.26 0.93 0.04 0.00 0.00 177.00 179.33 1a2z h GLU 63 N 1.32 0.00 -4.99 4.56 3.07 -1.52 -3.29 114.58 113.72 1a2z h GLU 63 Ca -0.50 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 57.91 1a2z h GLU 63 Cb 1.25 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.87 1a2z h GLU 63 CO 0.57 0.96 -0.80 0.42 -1.40 0.00 0.00 179.01 178.77 1a2z s ILE 64 N -2.71 0.95 -0.07 3.13 1.01 -1.18 -0.76 121.20 121.57 1a2z s ILE 64 Ca 0.01 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1a2z s ILE 64 Cb 0.10 -0.80 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1a2z s ILE 64 CO 0.82 0.27 -0.12 -0.69 0.00 0.00 0.00 174.94 175.22 1a2z s VAL 65 N -0.17 1.12 -0.28 2.92 1.01 -0.27 -1.14 120.40 123.59 1a2z s VAL 65 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1a2z s VAL 65 Cb -0.06 -1.03 0.07 0.00 0.00 0.00 0.00 36.38 35.36 1a2z s VAL 65 CO -0.00 0.35 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1a2z s ILE 66 N 0.72 2.04 0.10 2.22 1.01 -0.17 -1.94 121.20 125.18 1a2z s ILE 66 Ca -0.14 -1.72 -0.27 0.00 0.00 0.00 0.00 60.65 58.52 1a2z s ILE 66 Cb -0.16 -2.27 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1a2z s ILE 66 CO 0.03 -0.19 0.86 0.20 0.00 0.00 0.00 174.94 175.84 1a2z s ASN 67 N 1.12 7.38 0.19 3.58 0.01 -0.14 -2.06 114.94 125.02 1a2z s ASN 67 Ca -0.03 1.65 0.09 0.00 -0.71 0.00 0.00 52.86 53.85 1a2z s ASN 67 Cb -0.19 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 1a2z s ASN 67 CO -0.07 0.01 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.71 1a2z s LEU 68 N -0.20 3.09 0.10 0.60 1.43 0.11 -0.77 118.68 123.05 1a2z s LEU 68 Ca 0.42 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1a2z s LEU 68 Cb -0.22 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1a2z s LEU 68 CO 0.27 0.08 0.36 -0.83 0.23 0.00 0.00 176.35 176.46 1a2z s GLY 69 N -2.99 -0.21 -0.01 -3.19 0.00 -0.94 -4.37 107.32 95.62 1a2z s GLY 69 Ca 0.27 -0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.65 1a2z s GLY 69 CO 0.17 -0.34 0.72 -2.27 0.00 0.00 0.00 173.10 171.38 1a2z s LEU 70 N -2.67 4.39 -0.47 0.66 2.96 -1.26 -1.05 118.68 121.24 1a2z s LEU 70 Ca 0.02 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 1a2z s LEU 70 Cb 0.02 -3.14 0.12 0.00 0.50 0.00 0.00 46.19 43.69 1a2z s LEU 70 CO -0.10 -0.03 0.22 0.00 -1.32 0.00 0.00 176.35 175.11 1a2z s ALA 71 N 0.28 3.21 0.18 5.97 0.00 0.16 -4.85 121.76 126.71 1a2z s ALA 71 Ca 0.38 -2.95 -0.33 0.00 0.00 0.00 0.00 51.96 49.06 1a2z s ALA 71 Cb -0.19 -2.22 -0.15 0.00 0.00 0.00 0.00 23.12 20.57 1a2z s ALA 71 CO 0.20 -1.90 1.38 -2.30 0.00 0.00 0.00 175.76 173.14 1a2z n PRO 72 N 3.72 1.72 0.00 0.00 -0.02 -1.26 -1.59 135.00 137.57 1a2z n PRO 72 Ca 0.04 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1a2z n PRO 72 Cb 0.37 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1a2z n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1a2z n THR 73 N 2.25 0.00 -1.77 3.45 -2.24 -1.26 -4.98 114.28 109.73 1a2z n THR 73 Ca 0.15 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.56 1a2z n THR 73 Cb 0.27 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.57 1a2z n THR 73 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1a2z s TYR 74 N -2.49 2.16 -0.80 4.78 1.51 -0.62 -4.45 117.35 117.44 1a2z s TYR 74 Ca 0.00 1.51 0.08 0.00 -1.01 0.00 0.00 57.07 57.65 1a2z s TYR 74 Cb 0.00 -3.59 0.15 0.00 -0.11 0.00 0.00 41.96 38.41 1a2z s TYR 74 CO 0.00 -2.66 1.00 -1.13 -1.11 0.00 0.00 175.55 171.64 1a2z n SER 75 N -1.96 2.23 -3.89 2.29 3.41 -1.26 -4.38 113.62 110.06 1a2z n SER 75 Ca 0.15 -1.71 -0.09 0.00 -0.26 0.00 0.00 58.87 56.95 1a2z n SER 75 Cb 0.49 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 1a2z n SER 75 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a2z s ASN 76 N -0.85 -0.12 0.38 4.04 4.22 -1.26 -4.93 114.94 116.41 1a2z s ASN 76 Ca 0.13 -0.74 -0.27 0.00 -2.14 0.00 0.00 52.86 49.85 1a2z s ASN 76 Cb 0.08 0.55 -0.09 0.00 1.28 0.00 0.00 41.25 43.07 1a2z s ASN 76 CO 0.11 -1.05 1.25 -0.63 -2.04 0.00 0.00 177.10 174.73 1a2z s ILE 77 N -3.95 2.86 -0.11 0.54 -1.09 -0.67 -4.39 121.20 114.39 1a2z s ILE 77 Ca 0.16 0.78 0.03 0.00 -2.23 0.00 0.00 60.65 59.39 1a2z s ILE 77 Cb 0.00 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.42 1a2z s ILE 77 CO 0.02 0.13 -0.21 0.42 -1.23 0.00 0.00 174.94 174.07 1a2z s THR 78 N -1.27 1.90 -0.35 2.92 -4.23 -0.51 -1.16 115.64 112.94 1a2z s THR 78 Ca 0.54 -0.91 -0.14 0.00 -1.18 0.00 0.00 61.69 60.00 1a2z s THR 78 Cb -0.36 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1a2z s THR 78 CO 0.46 0.52 0.30 -0.69 -0.54 0.00 0.00 174.62 174.67 1a2z s VAL 79 N 0.58 5.24 0.12 2.29 1.01 0.42 -0.71 120.40 129.35 1a2z s VAL 79 Ca -0.14 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1a2z s VAL 79 Cb -0.17 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1a2z s VAL 79 CO 0.04 -0.09 1.04 -1.61 0.00 0.00 0.00 175.10 174.48 1a2z s GLU 80 N 1.83 4.62 -0.08 2.72 0.41 0.03 -1.06 118.70 127.17 1a2z s GLU 80 Ca 0.08 1.58 0.15 0.00 -0.41 0.00 0.00 54.97 56.37 1a2z s GLU 80 Cb -0.17 -3.34 -0.23 0.00 -1.78 0.00 0.00 34.13 28.61 1a2z s GLU 80 CO 0.11 0.09 0.23 -2.13 -0.49 0.00 0.00 175.26 173.07 1a2z n ARG 81 N 2.84 0.93 -5.01 1.61 0.63 0.11 -4.43 116.66 113.34 1a2z n ARG 81 Ca 0.03 -0.09 -0.29 0.00 -0.92 0.00 0.00 57.85 56.58 1a2z n ARG 81 Cb 0.48 -1.39 -0.17 0.00 0.45 0.00 0.00 32.46 31.84 1a2z n ARG 81 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1a2z s ILE 82 N -2.81 1.73 -0.14 5.15 -1.09 -1.26 -0.59 121.20 122.19 1a2z s ILE 82 Ca -0.07 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.49 1a2z s ILE 82 Cb 0.08 -1.50 -0.02 0.00 -1.58 0.00 0.00 42.46 39.44 1a2z s ILE 82 CO 0.65 0.49 -0.09 0.00 -1.23 0.00 0.00 174.94 174.76 1a2z s ALA 83 N 0.25 2.79 -0.00 9.38 0.00 -0.20 -4.08 121.76 129.90 1a2z s ALA 83 Ca -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1a2z s ALA 83 Cb -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 1a2z s ALA 83 CO 0.05 0.24 -0.04 0.14 0.00 0.00 0.00 175.76 176.16 1a2z s VAL 84 N 0.34 3.88 -1.11 0.00 -7.23 -1.26 -0.92 120.40 114.10 1a2z s VAL 84 Ca -0.08 -0.67 -0.07 0.00 -1.81 0.00 0.00 61.98 59.34 1a2z s VAL 84 Cb -0.15 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1a2z s VAL 84 CO 0.04 0.40 2.92 -3.20 -0.31 0.00 0.00 175.10 174.96 1a2z n ASN 85 N 1.54 7.67 -3.74 4.85 2.85 0.86 -4.80 115.26 124.49 1a2z n ASN 85 Ca -0.15 -2.77 -0.13 0.00 -0.11 0.00 0.00 54.58 51.42 1a2z n ASN 85 Cb 0.53 -1.45 -0.13 0.00 1.24 0.00 0.00 39.78 39.97 1a2z n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1a2z s ILE 86 N 0.60 -0.04 -0.24 -1.44 1.01 -1.26 -3.45 121.20 116.39 1a2z s ILE 86 Ca 0.64 0.15 0.02 0.00 0.00 0.00 0.00 60.65 61.46 1a2z s ILE 86 Cb 0.23 -0.33 0.05 0.00 0.01 0.00 0.00 42.46 42.42 1a2z s ILE 86 CO -0.08 0.06 -0.13 -0.51 0.00 0.00 0.00 174.94 174.28 1a2z s ILE 87 N 1.17 2.18 -0.06 2.92 1.10 0.12 -4.69 121.20 123.93 1a2z s ILE 87 Ca -0.09 -1.40 -0.02 0.00 -0.51 0.00 0.00 60.65 58.63 1a2z s ILE 87 Cb -0.10 -2.17 0.04 0.00 0.15 0.00 0.00 42.46 40.38 1a2z s ILE 87 CO -0.07 0.15 0.12 -0.62 -2.11 0.00 0.00 174.94 172.41 1a2z s ASP 88 N 1.17 0.30 0.08 4.50 2.15 0.36 -1.58 116.67 123.65 1a2z s ASP 88 Ca -0.04 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.19 1a2z s ASP 88 Cb -0.18 0.12 -0.03 0.00 -0.30 0.00 0.00 42.92 42.53 1a2z s ASP 88 CO -0.07 -0.18 -0.08 0.00 -0.17 0.00 0.00 175.17 174.67 1a2z s ALA 89 N 1.58 0.84 -0.26 3.66 0.00 -0.04 -4.18 121.76 123.35 1a2z s ALA 89 Ca -0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1a2z s ALA 89 Cb -0.12 0.09 -0.16 0.00 0.00 0.00 0.00 23.12 22.93 1a2z s ALA 89 CO -0.05 -0.12 -0.25 -2.13 0.00 0.00 0.00 175.76 173.21 1a2z n ARG 90 N 0.64 0.63 -3.02 0.00 0.63 -1.26 -4.73 116.66 109.55 1a2z n ARG 90 Ca -0.17 0.17 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1a2z n ARG 90 Cb 0.58 -1.51 -0.05 0.00 0.45 0.00 0.00 32.46 31.93 1a2z n ARG 90 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1a2z s ILE 91 N -2.51 4.96 0.71 5.15 -1.09 -1.26 -5.02 121.20 122.13 1a2z s ILE 91 Ca -0.35 1.38 -0.16 0.00 -2.23 0.00 0.00 60.65 59.29 1a2z s ILE 91 Cb 0.10 -4.03 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1a2z s ILE 91 CO 0.58 0.08 1.26 -2.84 -1.23 0.00 0.00 174.94 172.78 1a2z s PRO 92 N 1.98 2.22 0.60 2.79 0.02 -1.26 -4.91 135.00 136.45 1a2z s PRO 92 Ca 0.33 1.94 -0.10 0.00 0.02 0.00 0.00 61.00 63.18 1a2z s PRO 92 Cb -0.16 -1.82 0.15 0.00 0.02 0.00 0.00 34.50 32.68 1a2z s PRO 92 CO 0.11 -1.82 0.63 -0.40 -0.33 0.00 0.00 177.00 175.20 1a2z n ASP 93 N -2.43 -0.96 0.07 2.53 5.68 -0.48 -4.83 116.55 116.14 1a2z n ASP 93 Ca 0.15 -1.01 0.08 0.00 -0.50 0.00 0.00 54.79 53.51 1a2z n ASP 93 Cb 0.49 -0.54 0.36 0.00 -1.14 0.00 0.00 41.12 40.29 1a2z n ASP 93 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1a2z n ASN 94 N -3.79 0.30 -1.02 -1.12 3.02 -0.08 -1.28 115.26 111.30 1a2z n ASN 94 Ca 0.08 0.59 0.11 0.00 -0.03 0.00 0.00 54.58 55.34 1a2z n ASN 94 Cb 0.31 -0.65 0.26 0.00 -0.61 0.00 0.00 39.78 39.09 1a2z n ASN 94 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a2z n ASP 95 N -1.85 3.02 -0.08 6.41 8.00 -1.26 -4.93 116.55 125.86 1a2z n ASP 95 Ca 0.02 -1.93 -0.01 0.00 0.71 0.00 0.00 54.79 53.57 1a2z n ASP 95 Cb 0.15 -0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1a2z n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2z n GLY 96 N 1.42 0.50 3.74 0.44 0.00 -0.41 -5.01 105.19 105.86 1a2z n GLY 96 Ca 0.19 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1a2z n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a2z s TYR 97 N -1.97 3.69 -0.45 1.61 5.04 -1.26 -4.73 117.35 119.29 1a2z s TYR 97 Ca 0.00 1.44 0.06 0.00 -2.44 0.00 0.00 57.07 56.13 1a2z s TYR 97 Cb 0.00 -2.84 0.20 0.00 0.35 0.00 0.00 41.96 39.67 1a2z s TYR 97 CO 0.00 0.21 0.44 0.94 -1.34 0.00 0.00 175.55 175.80 1a2z n GLN 98 N 3.12 0.70 -1.94 4.97 7.27 -1.26 -1.37 117.38 128.86 1a2z n GLN 98 Ca -0.01 -3.44 -0.41 0.00 0.07 0.00 0.00 57.00 53.21 1a2z n GLN 98 Cb 0.51 -1.63 -0.02 0.00 2.41 0.00 0.00 30.24 31.51 1a2z n GLN 98 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1a2z s PRO 99 N -0.69 4.22 -0.19 3.69 0.04 -1.26 -4.85 135.00 135.97 1a2z s PRO 99 Ca 0.33 2.40 0.01 0.00 0.04 0.00 0.00 61.00 63.78 1a2z s PRO 99 Cb 0.08 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.60 1a2z s PRO 99 CO -0.15 -0.44 -0.14 0.42 0.04 0.00 0.00 177.00 176.72 1a2z s ILE 100 N -0.45 1.80 -1.48 0.56 -1.09 -1.26 -0.86 121.20 118.42 1a2z s ILE 100 Ca 0.57 -0.95 -0.08 0.00 -2.23 0.00 0.00 60.65 57.96 1a2z s ILE 100 Cb -0.44 -1.75 0.06 0.00 -1.58 0.00 0.00 42.46 38.75 1a2z s ILE 100 CO 0.50 0.34 0.72 0.47 -1.23 0.00 0.00 174.94 175.73 1a2z n ASP 101 N 4.66 -2.38 -4.91 3.58 8.00 -1.23 -4.97 116.55 119.30 1a2z n ASP 101 Ca -0.17 -0.90 -0.32 0.00 0.71 0.00 0.00 54.79 54.11 1a2z n ASP 101 Cb 0.48 -3.46 -0.05 0.00 -0.02 0.00 0.00 41.12 38.07 1a2z n ASP 101 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a2z s GLU 102 N -6.52 3.51 0.28 -1.24 0.41 -0.62 -4.93 118.70 109.59 1a2z s GLU 102 Ca 0.34 -0.27 -0.27 0.00 -0.41 0.00 0.00 54.97 54.35 1a2z s GLU 102 Cb -0.18 -3.01 -0.09 0.00 -1.78 0.00 0.00 34.13 29.07 1a2z s GLU 102 CO 0.86 0.59 0.93 0.21 -0.49 0.00 0.00 175.26 177.37 1a2z s LYS 103 N -2.31 4.69 -0.09 1.61 2.20 -1.26 0.11 119.74 124.68 1a2z s LYS 103 Ca 0.34 1.37 -0.26 0.00 -0.36 0.00 0.00 55.97 57.06 1a2z s LYS 103 Cb -0.13 -3.01 -0.26 0.00 -1.51 0.00 0.00 37.83 32.92 1a2z s LYS 103 CO 0.23 0.39 0.89 0.82 -0.36 0.00 0.00 175.35 177.32 1a2z h ILE 104 N 2.85 1.65 -3.20 5.43 2.04 -1.88 -3.45 117.51 120.96 1a2z h ILE 104 Ca -0.46 -2.24 -0.57 0.00 1.00 0.00 0.00 64.86 62.60 1a2z h ILE 104 Cb 1.20 3.14 -0.37 0.00 -0.74 0.00 0.00 36.82 40.05 1a2z h ILE 104 CO 0.66 0.60 -0.81 -1.61 0.00 0.00 0.00 178.15 176.99 1a2z s GLU 105 N -2.58 1.83 0.30 2.37 0.41 -1.26 -5.04 118.70 114.72 1a2z s GLU 105 Ca -0.17 -0.45 -0.01 0.00 -0.41 0.00 0.00 54.97 53.93 1a2z s GLU 105 Cb -0.01 -1.91 0.49 0.00 -1.78 0.00 0.00 34.13 30.92 1a2z s GLU 105 CO 0.73 -0.30 1.94 0.93 -0.49 0.00 0.00 175.26 178.08 1a2z h GLU 106 N 8.11 1.04 -0.02 1.61 4.39 -1.99 -2.75 114.58 124.98 1a2z h GLU 106 Ca -0.32 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1a2z h GLU 106 Cb 1.13 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1a2z h GLU 106 CO 0.45 0.69 -0.36 -0.25 -1.16 0.00 0.00 179.01 178.38 1a2z n ASP 107 N -4.45 2.02 -4.88 1.42 8.00 -1.26 -4.95 116.55 112.45 1a2z n ASP 107 Ca 0.11 -1.50 -0.30 0.00 0.71 0.00 0.00 54.79 53.81 1a2z n ASP 107 Cb 0.11 0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.58 1a2z n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a2z s ALA 108 N -2.40 3.02 1.04 2.24 0.00 -1.04 -5.06 121.76 119.57 1a2z s ALA 108 Ca 0.21 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1a2z s ALA 108 Cb 0.19 -3.04 0.21 0.00 0.00 0.00 0.00 23.12 20.48 1a2z s ALA 108 CO 0.52 -0.88 1.08 -2.14 0.00 0.00 0.00 175.76 174.34 1a2z s PRO 109 N -5.25 0.09 0.37 0.00 0.02 -1.26 -4.92 135.00 124.05 1a2z s PRO 109 Ca 0.56 0.55 0.11 0.00 0.02 0.00 0.00 61.00 62.24 1a2z s PRO 109 Cb -0.11 -1.70 0.72 0.00 0.02 0.00 0.00 34.50 33.44 1a2z s PRO 109 CO 0.53 -2.97 1.85 1.25 -0.33 0.00 0.00 177.00 177.33 1a2z h LEU 110 N -2.07 0.10 -7.93 -5.54 5.85 -1.95 -3.41 115.31 100.37 1a2z h LEU 110 Ca -0.56 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 57.99 1a2z h LEU 110 Cb 1.33 -0.03 -0.18 0.00 0.37 0.00 0.00 40.66 42.16 1a2z h LEU 110 CO 0.56 0.40 -0.55 0.00 -0.34 0.00 0.00 178.44 178.51 1a2z s ALA 111 N -4.37 -0.02 0.06 1.25 0.00 -1.26 -0.10 121.76 117.32 1a2z s ALA 111 Ca -0.04 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.42 1a2z s ALA 111 Cb 0.15 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1a2z s ALA 111 CO 0.73 -0.30 -0.22 0.71 0.00 0.00 0.00 175.76 176.69 1a2z s TYR 112 N -2.50 1.91 0.08 0.00 2.02 -0.10 -4.98 117.35 113.78 1a2z s TYR 112 Ca -0.06 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.09 1a2z s TYR 112 Cb -0.02 -1.12 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 1a2z s TYR 112 CO -0.04 0.13 0.51 1.41 -1.57 0.00 0.00 175.55 175.99 1a2z s MET 113 N -1.37 4.03 0.60 -0.62 -2.45 -1.26 -1.03 119.30 117.19 1a2z s MET 113 Ca 0.08 0.54 -0.19 0.00 -1.25 0.00 0.00 55.69 54.87 1a2z s MET 113 Cb -0.09 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.84 1a2z s MET 113 CO 0.03 0.59 1.26 0.00 1.05 0.00 0.00 175.02 177.95 1a2z s ALA 114 N -1.24 2.53 -0.82 4.11 0.00 0.25 -4.93 121.76 121.65 1a2z s ALA 114 Ca 0.31 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.48 1a2z s ALA 114 Cb -0.17 -3.50 0.23 0.00 0.00 0.00 0.00 23.12 19.68 1a2z s ALA 114 CO 0.18 -1.34 1.16 0.25 0.00 0.00 0.00 175.76 176.01 1a2z n THR 115 N -1.61 0.88 -1.50 0.00 -2.24 0.05 -4.95 114.28 104.92 1a2z n THR 115 Ca 0.14 -0.94 -0.30 0.00 -2.27 0.00 0.00 64.05 60.68 1a2z n THR 115 Cb 0.48 0.58 0.10 0.00 -2.10 0.00 0.00 70.33 69.39 1a2z n THR 115 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a2z s LEU 116 N -0.97 2.55 -1.31 3.22 1.43 -1.06 -4.36 118.68 118.18 1a2z s LEU 116 Ca 0.18 1.34 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 1a2z s LEU 116 Cb 0.10 -3.92 0.11 0.00 0.03 0.00 0.00 46.19 42.50 1a2z s LEU 116 CO 0.13 -2.08 1.79 -0.81 0.23 0.00 0.00 176.35 175.61 1a2z n PRO 117 N -3.50 3.24 -0.12 1.29 -0.04 -1.26 -4.80 135.00 129.81 1a2z n PRO 117 Ca 0.07 -3.33 0.02 0.00 -0.04 0.00 0.00 63.50 60.22 1a2z n PRO 117 Cb 0.56 -3.24 0.31 0.00 -0.04 0.00 0.00 33.50 31.10 1a2z n PRO 117 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1a2z h VAL 118 N 4.68 1.16 -0.08 0.52 -1.51 -1.93 -0.48 116.25 118.61 1a2z h VAL 118 Ca 0.43 -0.33 -0.04 0.00 -1.23 0.00 0.00 66.70 65.53 1a2z h VAL 118 Cb 0.78 0.31 -0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1a2z h VAL 118 CO 1.52 0.16 -0.12 0.03 -1.23 0.00 0.00 177.57 177.94 1a2z h ARG 119 N 0.81 0.23 -0.99 5.19 3.08 -1.87 -0.17 114.38 120.66 1a2z h ARG 119 Ca 0.22 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.18 1a2z h ARG 119 Cb -0.06 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 1a2z h ARG 119 CO -0.04 0.69 0.65 0.00 -1.07 0.00 0.00 179.97 180.20 1a2z h ALA 120 N 0.53 1.37 -0.11 0.04 0.00 -1.73 0.36 119.26 119.73 1a2z h ALA 120 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a2z h ALA 120 Cb 0.67 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a2z h ALA 120 CO 0.03 0.51 0.04 0.82 0.00 0.00 0.00 179.25 180.65 1a2z h ILE 121 N 1.23 1.16 -0.30 0.00 2.04 -1.04 -1.41 117.51 119.19 1a2z h ILE 121 Ca 0.41 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1a2z h ILE 121 Cb 0.06 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1a2z h ILE 121 CO -0.14 0.15 0.19 0.74 0.00 0.00 0.00 178.15 179.09 1a2z h THR 122 N -0.00 1.09 -0.89 -0.27 2.02 -0.61 -0.31 112.91 113.94 1a2z h THR 122 Ca 0.03 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1a2z h THR 122 Cb 0.20 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1a2z h THR 122 CO -0.00 0.09 0.50 0.50 0.37 0.00 0.00 175.52 176.98 1a2z h LYS 123 N 0.40 1.23 -0.68 6.66 3.64 -0.90 -1.99 116.57 124.93 1a2z h LYS 123 Ca 0.11 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1a2z h LYS 123 Cb -0.01 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 1a2z h LYS 123 CO -0.02 0.89 0.22 1.15 -2.27 0.00 0.00 179.45 179.42 1a2z h THR 124 N 1.24 1.25 -0.17 1.00 2.02 -0.75 0.97 112.91 118.48 1a2z h THR 124 Ca 0.32 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1a2z h THR 124 Cb 0.00 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1a2z h THR 124 CO -0.05 0.34 0.10 -0.07 0.37 0.00 0.00 175.52 176.21 1a2z h LEU 125 N 1.00 0.20 -0.84 2.58 4.07 -0.78 -1.34 115.31 120.19 1a2z h LEU 125 Ca 0.22 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.08 1a2z h LEU 125 Cb 0.29 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1a2z h LEU 125 CO -0.01 0.18 0.20 0.03 -1.08 0.00 0.00 178.44 177.76 1a2z h ARG 126 N 0.19 1.05 0.00 1.13 3.08 -1.01 0.20 114.38 119.02 1a2z h ARG 126 Ca 0.06 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1a2z h ARG 126 Cb 0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1a2z h ARG 126 CO -0.01 0.91 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.28 1a2z h ASP 127 N 1.01 0.00 -0.47 7.04 3.32 -0.54 -0.55 116.42 126.23 1a2z h ASP 127 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1a2z h ASP 127 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1a2z h ASP 127 CO -0.00 0.09 0.00 0.59 -1.72 0.00 0.00 179.24 178.19 1a2z n ASN 128 N -3.47 3.03 -0.20 6.45 3.02 -0.53 -4.93 115.26 118.63 1a2z n ASN 128 Ca -0.02 -2.16 -0.02 0.00 -0.03 0.00 0.00 54.58 52.36 1a2z n ASN 128 Cb 0.23 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 38.99 1a2z n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a2z n GLY 129 N 1.07 0.44 3.20 7.41 0.00 -0.22 -5.03 105.19 112.07 1a2z n GLY 129 Ca 0.17 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1a2z n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a2z s ILE 130 N -2.09 2.75 0.20 -0.61 1.01 -0.05 -5.01 121.20 117.40 1a2z s ILE 130 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.45 1a2z s ILE 130 Cb 0.00 -2.31 -0.10 0.00 0.01 0.00 0.00 42.46 40.07 1a2z s ILE 130 CO 0.00 0.34 1.49 -2.84 0.00 0.00 0.00 174.94 173.93 1a2z s PRO 131 N 1.35 4.25 -0.03 2.79 0.02 -1.26 -3.03 135.00 139.08 1a2z s PRO 131 Ca 0.03 2.32 -0.28 0.00 0.02 0.00 0.00 61.00 63.09 1a2z s PRO 131 Cb -0.15 -3.14 0.06 0.00 0.02 0.00 0.00 34.50 31.29 1a2z s PRO 131 CO -0.07 -0.50 0.61 0.00 -0.33 0.00 0.00 177.00 176.71 1a2z s ALA 132 N 0.56 -1.57 0.11 -1.55 0.00 -1.26 -1.68 121.76 116.37 1a2z s ALA 132 Ca 0.64 1.08 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 1a2z s ALA 132 Cb -0.42 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1a2z s ALA 132 CO 0.37 -0.37 0.03 0.95 0.00 0.00 0.00 175.76 176.74 1a2z s THR 133 N -1.37 0.20 -0.07 0.00 -4.23 -0.31 -4.92 115.64 104.94 1a2z s THR 133 Ca -0.11 -1.89 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 1a2z s THR 133 Cb -0.01 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1a2z s THR 133 CO 0.08 -0.61 0.57 -0.63 -0.54 0.00 0.00 174.62 173.48 1a2z s ILE 134 N -3.97 5.06 0.03 2.99 1.01 -1.26 -0.43 121.20 124.62 1a2z s ILE 134 Ca 0.19 1.17 0.02 0.00 0.00 0.00 0.00 60.65 62.03 1a2z s ILE 134 Cb 0.07 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1a2z s ILE 134 CO -0.01 0.34 0.02 -0.55 0.00 0.00 0.00 174.94 174.74 1a2z s SER 135 N 0.36 5.19 0.00 3.58 0.15 -0.23 -4.88 113.70 117.87 1a2z s SER 135 Ca 0.30 -0.04 0.10 0.00 0.70 0.00 0.00 55.95 57.02 1a2z s SER 135 Cb -0.17 -1.34 0.25 0.00 -1.71 0.00 0.00 66.02 63.05 1a2z s SER 135 CO 0.15 0.24 1.17 -1.22 1.20 0.00 0.00 173.24 174.78 1a2z n TYR 136 N 1.09 0.37 -3.68 3.44 4.02 -1.26 -0.71 117.16 120.42 1a2z n TYR 136 Ca -0.13 -0.42 -0.14 0.00 -0.01 0.00 0.00 57.90 57.20 1a2z n TYR 136 Cb 0.52 -0.02 -0.14 0.00 -0.02 0.00 0.00 39.34 39.68 1a2z n TYR 136 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1a2z s SER 137 N -0.98 0.31 -0.10 7.72 0.15 -1.26 -4.51 113.70 115.03 1a2z s SER 137 Ca 0.20 0.50 0.13 0.00 0.70 0.00 0.00 55.95 57.48 1a2z s SER 137 Cb 0.11 0.51 0.54 0.00 -1.71 0.00 0.00 66.02 65.47 1a2z s SER 137 CO 0.15 -0.22 1.40 0.00 1.20 0.00 0.00 173.24 175.76 1a2z n ALA 138 N 5.07 3.03 0.00 5.45 0.00 -1.26 -5.05 120.51 127.75 1a2z n ALA 138 Ca -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1a2z n ALA 138 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1a2z n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2z n GLY 139 N 0.85 -1.97 0.21 0.00 0.00 -1.26 -3.65 105.19 99.37 1a2z n GLY 139 Ca 0.19 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.63 1a2z n GLY 139 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a2z n THR 140 N 0.00 0.90 -0.55 2.61 -2.24 -1.26 -4.67 114.28 109.07 1a2z n THR 140 Ca 0.00 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1a2z n THR 140 Cb 0.00 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1a2z n THR 140 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a2z n TYR 141 N -0.65 0.00 0.01 4.78 9.36 -1.26 -0.49 117.16 128.91 1a2z n TYR 141 Ca 0.07 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.22 1a2z n TYR 141 Cb 0.60 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.42 1a2z n TYR 141 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1a2z h LEU 142 N 0.00 0.54 0.21 2.98 3.38 -1.94 -0.81 115.31 119.67 1a2z h LEU 142 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1a2z h LEU 142 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1a2z h LEU 142 CO 0.00 0.91 -0.19 0.00 0.09 0.00 0.00 178.44 179.26 1a2z h ASN 144 N -0.42 0.86 -0.49 0.00 -1.24 -1.60 -1.18 115.58 111.52 1a2z h ASN 144 Ca -0.01 -0.02 0.08 0.00 0.71 0.00 0.00 56.30 57.06 1a2z h ASN 144 Cb 0.38 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.15 1a2z h ASN 144 CO -0.03 0.62 0.13 0.22 -1.29 0.00 0.00 177.43 177.08 1a2z h TYR 145 N 1.02 0.21 -0.21 0.67 3.20 -0.89 0.23 116.97 121.21 1a2z h TYR 145 Ca 0.28 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 1a2z h TYR 145 Cb -0.11 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1a2z h TYR 145 CO -0.02 0.04 -0.38 0.28 -1.64 0.00 0.00 178.16 176.44 1a2z h VAL 146 N 0.28 1.30 -0.36 1.81 2.07 -1.04 0.98 116.25 121.28 1a2z h VAL 146 Ca 0.24 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1a2z h VAL 146 Cb 0.29 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1a2z h VAL 146 CO -0.29 0.47 0.14 -0.03 0.02 0.00 0.00 177.57 177.88 1a2z h MET 147 N 0.40 0.54 -0.38 1.57 1.85 -0.62 -1.01 114.93 117.28 1a2z h MET 147 Ca 0.04 -0.10 -0.08 0.00 -0.61 0.00 0.00 59.70 58.95 1a2z h MET 147 Cb 0.85 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.78 1a2z h MET 147 CO 0.07 0.53 -0.08 0.35 -0.40 0.00 0.00 176.91 177.39 1a2z h PHE 148 N 0.43 0.80 -0.88 1.39 3.04 -0.21 -1.97 116.94 119.54 1a2z h PHE 148 Ca 0.12 -0.17 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1a2z h PHE 148 Cb 0.20 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 1a2z h PHE 148 CO -0.00 0.85 0.50 0.87 -2.02 0.00 0.00 178.31 178.51 1a2z h LYS 149 N 0.52 1.21 -0.39 1.11 1.79 -0.72 0.94 116.57 121.03 1a2z h LYS 149 Ca 0.10 -0.13 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 1a2z h LYS 149 Cb 0.58 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1a2z h LYS 149 CO 0.03 0.88 -0.08 1.15 -1.08 0.00 0.00 179.45 180.35 1a2z h THR 150 N 1.22 1.27 -0.42 -0.16 2.02 -0.96 -0.48 112.91 115.40 1a2z h THR 150 Ca 0.31 -1.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.23 1a2z h THR 150 Cb 0.00 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1a2z h THR 150 CO -0.05 0.39 -0.15 -0.07 0.37 0.00 0.00 175.52 176.00 1a2z h LEU 151 N 0.55 0.78 -0.19 2.58 3.38 -1.17 -1.41 115.31 119.82 1a2z h LEU 151 Ca 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1a2z h LEU 151 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1a2z h LEU 151 CO 0.04 0.94 0.02 -0.74 0.09 0.00 0.00 178.44 178.78 1a2z h HIS 152 N 0.69 0.35 -0.64 1.13 2.76 -0.62 -2.06 115.15 116.76 1a2z h HIS 152 Ca 0.11 -0.05 0.09 0.00 -2.20 0.00 0.00 60.37 58.32 1a2z h HIS 152 Cb 0.65 -0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.44 1a2z h HIS 152 CO 0.03 0.49 0.27 0.35 -1.30 0.00 0.00 177.93 177.77 1a2z h PHE 153 N 0.11 0.48 -0.26 5.26 3.04 -0.96 -1.65 116.94 122.96 1a2z h PHE 153 Ca 0.06 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 1a2z h PHE 153 Cb 0.33 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1a2z h PHE 153 CO 0.02 0.15 0.07 0.66 -2.02 0.00 0.00 178.31 177.20 1a2z h SER 154 N 0.48 0.33 0.05 0.41 4.64 -1.00 0.28 113.55 118.75 1a2z h SER 154 Ca 0.32 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.48 1a2z h SER 154 Cb 0.36 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1a2z h SER 154 CO -0.28 0.33 -0.40 0.11 -0.87 0.00 0.00 176.83 175.72 1a2z h LYS 155 N 0.37 0.45 0.05 4.77 1.79 -0.60 -1.07 116.57 122.33 1a2z h LYS 155 Ca 0.09 -0.22 -0.11 0.00 -2.18 0.00 0.00 60.65 58.23 1a2z h LYS 155 Cb 0.13 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1a2z h LYS 155 CO -0.01 0.78 -0.47 0.82 -1.08 0.00 0.00 179.45 179.49 1a2z h ILE 156 N 0.37 1.56 0.00 1.86 2.04 -0.76 -3.39 117.51 119.19 1a2z h ILE 156 Ca 0.03 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.64 1a2z h ILE 156 Cb 0.86 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1a2z h ILE 156 CO 0.07 0.63 -1.07 -0.62 0.00 0.00 0.00 178.15 177.15 1a2z n GLU 157 N -4.34 0.35 -0.17 2.37 -0.58 0.89 -4.97 120.64 114.19 1a2z n GLU 157 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1a2z n GLU 157 Cb 0.64 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1a2z n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a2z n GLY 158 N 1.34 1.39 3.05 0.62 0.00 -0.41 -5.00 105.19 106.19 1a2z n GLY 158 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1a2z n GLY 158 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a2z s TYR 159 N -2.72 0.21 0.74 1.61 1.13 -1.25 -4.35 117.35 112.72 1a2z s TYR 159 Ca 0.00 -0.47 -0.14 0.00 -1.41 0.00 0.00 57.07 55.06 1a2z s TYR 159 Cb 0.00 -0.16 0.04 0.00 -1.10 0.00 0.00 41.96 40.74 1a2z s TYR 159 CO 0.00 -0.26 1.15 -1.25 -2.51 0.00 0.00 175.55 172.67 1a2z s PRO 160 N -1.86 2.21 0.21 -3.49 0.04 -1.24 -3.95 135.00 126.92 1a2z s PRO 160 Ca -0.12 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 1a2z s PRO 160 Cb -0.06 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.78 1a2z s PRO 160 CO -0.02 -1.73 1.53 -0.07 0.04 0.00 0.00 177.00 176.75 1a2z h LEU 161 N -0.53 0.48 -7.83 -3.56 4.07 -1.14 -3.44 115.31 103.37 1a2z h LEU 161 Ca -0.46 -0.26 -0.48 0.00 0.08 0.00 0.00 57.88 56.76 1a2z h LEU 161 Cb 1.27 -0.14 -0.34 0.00 1.08 0.00 0.00 40.66 42.52 1a2z h LEU 161 CO 0.50 0.95 -0.80 -0.54 -1.08 0.00 0.00 178.44 177.47 1a2z s LYS 162 N -3.91 1.34 -0.02 1.13 1.02 -0.91 -4.94 119.74 113.45 1a2z s LYS 162 Ca -0.06 -0.26 -0.11 0.00 0.02 0.00 0.00 55.97 55.56 1a2z s LYS 162 Cb 0.12 -1.24 0.01 0.00 -0.52 0.00 0.00 37.83 36.20 1a2z s LYS 162 CO 0.82 -0.08 0.23 0.00 -0.92 0.00 0.00 175.35 175.41 1a2z s ALA 163 N 1.00 -0.57 0.00 5.17 0.00 -1.26 -1.11 121.76 124.98 1a2z s ALA 163 Ca -0.09 0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 1a2z s ALA 163 Cb -0.15 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1a2z s ALA 163 CO -0.00 -0.22 0.01 0.41 0.00 0.00 0.00 175.76 175.96 1a2z n GLY 164 N 1.61 1.21 3.10 0.00 0.00 -0.82 -0.77 105.19 109.52 1a2z n GLY 164 Ca -0.21 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 1a2z n GLY 164 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a2z s PHE 165 N -5.57 0.99 -0.06 1.61 2.19 -1.26 -0.97 117.98 114.92 1a2z s PHE 165 Ca 0.00 -0.34 0.00 0.00 0.33 0.00 0.00 56.93 56.92 1a2z s PHE 165 Cb -0.00 -0.59 0.02 0.00 -1.31 0.00 0.00 43.02 41.14 1a2z s PHE 165 CO 0.00 0.00 -0.04 0.42 1.83 0.00 0.00 175.22 177.44 1a2z s ILE 166 N -0.85 0.53 0.09 3.12 1.01 0.05 -0.79 121.20 124.36 1a2z s ILE 166 Ca -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 1a2z s ILE 166 Cb -0.07 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 1a2z s ILE 166 CO 0.01 0.24 0.33 -1.00 0.00 0.00 0.00 174.94 174.52 1a2z s HIS 167 N 1.21 3.51 0.17 3.97 3.76 0.11 -2.21 115.29 125.82 1a2z s HIS 167 Ca -0.06 0.54 0.09 0.00 -0.15 0.00 0.00 55.06 55.47 1a2z s HIS 167 Cb -0.14 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 1a2z s HIS 167 CO -0.02 0.50 -0.19 0.14 -0.85 0.00 0.00 174.74 174.33 1a2z s VAL 168 N -1.53 1.89 1.05 -0.90 -7.23 -0.21 -1.42 120.40 112.04 1a2z s VAL 168 Ca 0.36 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 58.45 1a2z s VAL 168 Cb -0.13 -1.89 0.22 0.00 0.56 0.00 0.00 36.38 35.14 1a2z s VAL 168 CO 0.23 -0.31 1.08 -2.84 -0.31 0.00 0.00 175.10 172.95 1a2z s PRO 169 N -2.84 -0.03 0.76 4.82 0.02 -1.26 -0.67 135.00 135.81 1a2z s PRO 169 Ca 0.17 0.51 -0.15 0.00 0.02 0.00 0.00 61.00 61.56 1a2z s PRO 169 Cb -0.06 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.84 1a2z s PRO 169 CO 0.07 -3.04 1.22 0.66 -0.33 0.00 0.00 177.00 175.58 1a2z n TYR 170 N -4.39 1.43 -2.98 6.54 4.01 -1.26 -4.70 117.16 115.81 1a2z n TYR 170 Ca 0.05 0.41 -0.26 0.00 -0.16 0.00 0.00 57.90 57.94 1a2z n TYR 170 Cb 0.57 -2.15 -0.01 0.00 -0.31 0.00 0.00 39.34 37.44 1a2z n TYR 170 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1a2z s THR 171 N -1.92 4.99 0.40 -0.72 -4.23 -1.26 -0.81 115.64 112.09 1a2z s THR 171 Ca 0.76 -0.05 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 1a2z s THR 171 Cb -0.32 -3.85 0.24 0.00 1.34 0.00 0.00 72.50 69.91 1a2z s THR 171 CO 0.48 -0.69 2.01 -0.65 -0.54 0.00 0.00 174.62 175.23 1a2z h PRO 172 N 0.56 0.51 0.00 3.99 0.11 -1.92 -0.72 132.00 134.53 1a2z h PRO 172 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1a2z h PRO 172 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1a2z h PRO 172 CO 0.62 0.39 -0.03 0.38 -0.21 0.00 0.00 178.00 179.15 1a2z h ASP 173 N 0.51 0.00 1.51 -2.05 2.03 -1.95 -2.30 116.42 114.18 1a2z h ASP 173 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1a2z h ASP 173 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1a2z h ASP 173 CO -0.02 0.03 0.00 1.56 -1.03 0.00 0.00 179.24 179.78 1a2z h GLN 174 N 0.00 0.00 -0.06 4.15 4.20 -1.50 -3.30 115.11 118.60 1a2z h GLN 174 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a2z h GLN 174 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1a2z h GLN 174 CO 0.00 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.49 1a2z n VAL 175 N -2.53 1.86 0.26 -0.54 0.24 -0.87 -4.67 118.33 112.09 1a2z n VAL 175 Ca 0.05 -2.03 0.13 0.00 -2.04 0.00 0.00 64.34 60.44 1a2z n VAL 175 Cb 0.43 -0.15 0.73 0.00 -1.47 0.00 0.00 33.84 33.38 1a2z n VAL 175 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1a2z h VAL 176 N 0.44 0.57 -0.14 3.34 -1.51 -1.64 -1.31 116.25 116.00 1a2z h VAL 176 Ca 0.00 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1a2z h VAL 176 Cb 1.04 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1a2z h VAL 176 CO 0.05 0.11 0.00 0.59 -1.23 0.00 0.00 177.57 177.09 1a2z n ASN 177 N -3.67 3.15 -4.32 4.19 3.02 -1.26 -4.97 115.26 111.40 1a2z n ASN 177 Ca -0.02 -3.02 -0.33 0.00 -0.03 0.00 0.00 54.58 51.18 1a2z n ASN 177 Cb 0.23 -0.48 -0.15 0.00 -0.61 0.00 0.00 39.78 38.77 1a2z n ASN 177 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a2z s LYS 178 N -2.80 3.29 -0.27 3.52 1.02 -0.49 -5.09 119.74 118.92 1a2z s LYS 178 Ca 0.37 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1a2z s LYS 178 Cb 0.31 -2.57 0.07 0.00 -0.52 0.00 0.00 37.83 35.12 1a2z s LYS 178 CO 0.06 0.16 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.56 1a2z s PHE 179 N 0.46 2.77 0.06 3.18 0.40 -1.26 -1.74 117.98 121.85 1a2z s PHE 179 Ca -0.11 -2.12 0.14 0.00 -0.60 0.00 0.00 56.93 54.24 1a2z s PHE 179 Cb -0.16 -1.93 0.22 0.00 0.51 0.00 0.00 43.02 41.65 1a2z s PHE 179 CO 0.05 -0.84 1.51 0.27 0.70 0.00 0.00 175.22 176.91 1a2z h PHE 180 N 7.86 0.00 -3.70 0.36 -0.00 -1.65 -3.45 116.94 116.36 1a2z h PHE 180 Ca -0.15 0.00 -0.33 0.00 -0.00 0.00 0.00 57.97 57.49 1a2z h PHE 180 Cb 1.05 0.00 -0.18 0.00 -0.00 0.00 0.00 35.95 36.82 1a2z h PHE 180 CO 0.51 0.60 -0.73 -0.51 -0.00 0.00 0.00 178.31 178.17 1a2z s LEU 181 N -6.85 2.41 -0.21 2.10 1.43 -1.20 -5.04 118.68 111.33 1a2z s LEU 181 Ca 0.01 -0.83 -0.39 0.00 -1.03 0.00 0.00 54.13 51.90 1a2z s LEU 181 Cb 0.10 -0.33 -0.15 0.00 0.03 0.00 0.00 46.19 45.84 1a2z s LEU 181 CO 0.75 -0.26 1.74 -0.11 0.23 0.00 0.00 176.35 178.70 1a2z n LEU 182 N 0.51 2.52 0.00 1.79 7.94 -1.26 -0.92 117.00 127.58 1a2z n LEU 182 Ca -0.16 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1a2z n LEU 182 Cb 0.58 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1a2z n LEU 182 CO 0.27 -0.41 0.00 0.61 -1.11 0.00 0.00 177.39 176.75 1a2z n GLY 183 N 4.09 0.37 3.02 -3.96 0.00 -1.26 -5.01 105.19 102.44 1a2z n GLY 183 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1a2z n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2z s LYS 184 N -0.65 2.10 0.56 1.61 1.02 -0.09 -5.11 119.74 119.18 1a2z s LYS 184 Ca 0.00 -0.50 -0.18 0.00 0.02 0.00 0.00 55.97 55.30 1a2z s LYS 184 Cb 0.00 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 1a2z s LYS 184 CO 0.00 -0.14 1.10 -0.80 -0.92 0.00 0.00 175.35 174.59 1a2z s ASN 185 N 1.23 5.74 0.51 2.83 -0.87 -1.26 -2.04 114.94 121.08 1a2z s ASN 185 Ca -0.02 2.06 -0.22 0.00 -1.57 0.00 0.00 52.86 53.11 1a2z s ASN 185 Cb -0.14 -2.57 -0.07 0.00 -0.02 0.00 0.00 41.25 38.46 1a2z s ASN 185 CO -0.05 -1.20 1.18 0.41 -2.57 0.00 0.00 177.10 174.87 1a2z n THR 186 N -1.52 3.27 -1.26 1.60 -1.04 -0.71 -4.56 114.28 110.06 1a2z n THR 186 Ca 0.11 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 1a2z n THR 186 Cb 0.52 -1.42 0.11 0.00 -1.82 0.00 0.00 70.33 67.71 1a2z n THR 186 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1a2z s PRO 187 N -2.55 1.88 0.29 -2.82 0.02 -1.26 -4.92 135.00 125.65 1a2z s PRO 187 Ca 0.69 1.71 -0.11 0.00 0.02 0.00 0.00 61.00 63.31 1a2z s PRO 187 Cb -0.46 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.26 1a2z s PRO 187 CO 0.52 -2.02 0.53 -1.54 -0.33 0.00 0.00 177.00 174.16 1a2z s SER 188 N -2.20 0.19 -0.12 2.53 1.04 -1.26 -4.56 113.70 109.32 1a2z s SER 188 Ca 0.73 -1.10 -0.07 0.00 0.48 0.00 0.00 55.95 55.98 1a2z s SER 188 Cb -0.28 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.54 1a2z s SER 188 CO 0.49 -1.27 0.29 -0.32 0.98 0.00 0.00 173.24 173.41 1a2z s MET 189 N -3.52 0.27 0.57 4.02 1.75 0.01 -4.92 119.30 117.48 1a2z s MET 189 Ca 0.23 0.55 -0.21 0.00 -1.25 0.00 0.00 55.69 55.01 1a2z s MET 189 Cb -0.01 -0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.58 1a2z s MET 189 CO 0.12 -0.13 1.32 0.00 -0.65 0.00 0.00 175.02 175.68 1a2z h LEU 191 N 1.22 0.96 -1.33 0.00 5.85 -1.97 -1.75 115.31 118.29 1a2z h LEU 191 Ca -0.51 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1a2z h LEU 191 Cb 1.31 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1a2z h LEU 191 CO 0.56 0.56 0.46 -0.08 -0.34 0.00 0.00 178.44 179.60 1a2z h GLU 192 N 1.05 0.87 -0.29 1.25 4.81 -1.99 0.51 114.58 120.79 1a2z h GLU 192 Ca 0.46 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.50 1a2z h GLU 192 Cb 0.36 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1a2z h GLU 192 CO -0.22 0.57 -0.37 0.00 -0.73 0.00 0.00 179.01 178.27 1a2z h ALA 193 N 1.58 0.44 -0.73 2.92 0.00 -1.70 -1.56 119.26 120.21 1a2z h ALA 193 Ca 0.27 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1a2z h ALA 193 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1a2z h ALA 193 CO -0.07 0.52 0.43 0.93 0.00 0.00 0.00 179.25 181.06 1a2z h GLU 194 N 0.52 0.99 -0.27 0.00 5.08 -0.79 0.16 114.58 120.27 1a2z h GLU 194 Ca 0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1a2z h GLU 194 Cb 0.96 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1a2z h GLU 194 CO 0.09 0.71 0.07 0.82 -1.00 0.00 0.00 179.01 179.70 1a2z h ILE 195 N 0.99 1.21 -0.97 3.13 2.04 -0.86 -1.69 117.51 121.36 1a2z h ILE 195 Ca 0.26 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1a2z h ILE 195 Cb -0.02 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1a2z h ILE 195 CO -0.05 0.22 0.64 0.50 0.00 0.00 0.00 178.15 179.46 1a2z h LYS 196 N 0.27 1.25 -0.83 2.37 1.63 -1.00 0.46 116.57 120.72 1a2z h LYS 196 Ca 0.09 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1a2z h LYS 196 Cb 0.27 -0.28 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 1a2z h LYS 196 CO -0.00 0.83 0.43 0.00 -3.45 0.00 0.00 179.45 177.26 1a2z h ALA 197 N 1.36 1.20 -0.14 5.00 0.00 -0.23 -1.06 119.26 125.39 1a2z h ALA 197 Ca 0.36 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1a2z h ALA 197 Cb -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.34 1a2z h ALA 197 CO -0.09 0.63 -0.72 0.82 0.00 0.00 0.00 179.25 179.90 1a2z h ILE 198 N 1.17 1.32 -0.62 0.00 1.08 -0.85 0.15 117.51 119.76 1a2z h ILE 198 Ca 0.29 -1.99 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 1a2z h ILE 198 Cb 0.06 1.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 1a2z h ILE 198 CO -0.04 0.62 0.39 -0.08 -0.69 0.00 0.00 178.15 178.34 1a2z h GLU 199 N 0.44 0.83 -0.58 2.37 4.81 -0.61 -0.77 114.58 121.07 1a2z h GLU 199 Ca -0.03 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 1a2z h GLU 199 Cb 1.31 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1a2z h GLU 199 CO 0.14 0.58 0.04 -0.07 -0.73 0.00 0.00 179.01 178.96 1a2z h LEU 200 N 0.83 0.94 -0.79 1.64 3.38 -1.01 -0.86 115.31 119.43 1a2z h LEU 200 Ca 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1a2z h LEU 200 Cb -0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1a2z h LEU 200 CO -0.04 0.97 0.36 0.00 0.09 0.00 0.00 178.44 179.82 1a2z h ALA 201 N 1.13 1.03 0.03 1.53 0.00 -0.44 0.14 119.26 122.67 1a2z h ALA 201 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a2z h ALA 201 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a2z h ALA 201 CO 0.02 0.61 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 1a2z h VAL 202 N 1.13 1.12 -0.70 0.00 2.07 -0.81 -1.32 116.25 117.74 1a2z h VAL 202 Ca 0.27 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.41 1a2z h VAL 202 Cb 0.15 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1a2z h VAL 202 CO -0.03 0.11 0.39 0.11 0.02 0.00 0.00 177.57 178.17 1a2z h LYS 203 N -0.23 0.68 -0.44 1.57 1.57 -0.78 0.30 116.57 119.24 1a2z h LYS 203 Ca -0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1a2z h LYS 203 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1a2z h LYS 203 CO 0.01 0.45 0.02 0.28 -0.57 0.00 0.00 179.45 179.63 1a2z h VAL 204 N 0.70 1.26 -0.54 0.50 2.07 -0.92 -0.93 116.25 118.38 1a2z h VAL 204 Ca 0.32 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1a2z h VAL 204 Cb 0.23 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1a2z h VAL 204 CO -0.20 0.35 0.31 0.28 0.02 0.00 0.00 177.57 178.33 1a2z h SER 205 N 0.62 0.49 -0.75 0.57 0.02 -0.91 -0.95 113.55 112.64 1a2z h SER 205 Ca 0.13 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1a2z h SER 205 Cb 0.47 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1a2z h SER 205 CO 0.02 0.34 0.35 -0.07 -1.14 0.00 0.00 176.83 176.33 1a2z h LEU 206 N 0.61 0.98 -0.46 5.07 3.38 -0.72 -1.49 115.31 122.69 1a2z h LEU 206 Ca 0.23 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1a2z h LEU 206 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1a2z h LEU 206 CO -0.12 0.85 0.25 0.44 0.09 0.00 0.00 178.44 179.96 1a2z h ASP 207 N 1.05 0.39 0.46 -0.43 3.32 -0.62 -0.28 116.42 120.31 1a2z h ASP 207 Ca 0.25 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 1a2z h ASP 207 Cb 0.14 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1a2z h ASP 207 CO -0.03 0.27 -0.45 1.88 -1.72 0.00 0.00 179.24 179.19 1a2z h TYR 208 N 0.50 0.00 -0.14 4.55 -1.99 -1.00 -1.58 116.97 117.31 1a2z h TYR 208 Ca 0.19 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.83 1a2z h TYR 208 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1a2z h TYR 208 CO -0.08 0.45 -0.28 1.25 -0.00 0.00 0.00 178.16 179.50 1a2z h LEU 209 N 0.00 0.49 -0.43 3.88 5.85 -0.91 -0.38 115.31 123.81 1a2z h LEU 209 Ca -0.00 -0.55 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1a2z h LEU 209 Cb 0.81 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1a2z h LEU 209 CO 0.06 0.95 0.12 -0.33 -0.34 0.00 0.00 178.44 178.89 1a2z h GLU 210 N 0.04 0.68 -0.08 1.25 4.39 -0.83 -1.98 114.58 118.06 1a2z h GLU 210 Ca 0.01 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1a2z h GLU 210 Cb 0.87 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1a2z h GLU 210 CO 0.06 0.68 0.00 1.63 -1.16 0.00 0.00 179.01 180.23 1a2z n LYS 211 N -4.54 1.37 -4.06 2.33 4.76 -0.61 -4.90 118.16 112.50 1a2z n LYS 211 Ca 0.00 -0.56 -0.31 0.00 -2.87 0.00 0.00 58.31 54.57 1a2z n LYS 211 Cb 0.20 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 1a2z n LYS 211 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1a2z n ASP 212 N -0.22 -1.06 -4.74 4.39 2.03 -0.44 -4.85 116.55 111.66 1a2z n ASP 212 Ca 0.15 -1.15 -0.31 0.00 0.52 0.00 0.00 54.79 54.00 1a2z n ASP 212 Cb 0.20 -2.39 -0.07 0.00 -0.72 0.00 0.00 41.12 38.14 1a2z n ASP 212 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1a2z s ARG 213 N -6.90 2.85 0.26 -0.67 3.52 -0.28 -5.05 118.95 112.67 1a2z s ARG 213 Ca 0.13 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 1a2z s ARG 213 Cb -0.06 -2.71 -0.09 0.00 -1.56 0.00 0.00 34.95 30.52 1a2z s ARG 213 CO 0.94 0.59 1.04 -0.51 -0.81 0.00 0.00 175.30 176.55 1a2z s ASP 214 N -2.04 7.41 1.02 -2.12 1.01 -1.26 -4.85 116.67 115.84 1a2z s ASP 214 Ca 0.25 2.14 -0.22 0.00 0.71 0.00 0.00 52.55 55.43 1a2z s ASP 214 Cb -0.12 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.09 1a2z s ASP 214 CO 0.17 -0.04 -0.90 -0.67 0.21 0.00 0.00 175.17 173.94 1a2z n ASP 215 N 1.38 -3.40 -4.84 0.27 2.03 -1.26 -4.91 116.55 105.82 1a2z n ASP 215 Ca -0.01 0.03 -0.35 0.00 0.52 0.00 0.00 54.79 54.98 1a2z n ASP 215 Cb 0.46 -0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 40.09 1a2z n ASP 215 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a2z s ILE 216 N -2.09 4.83 -0.77 5.18 1.10 -1.26 -5.01 121.20 123.19 1a2z s ILE 216 Ca 0.43 0.86 -0.08 0.00 -0.51 0.00 0.00 60.65 61.35 1a2z s ILE 216 Cb -0.03 -3.74 0.20 0.00 0.15 0.00 0.00 42.46 39.04 1a2z s ILE 216 CO 0.70 0.23 0.65 -0.54 -2.11 0.00 0.00 174.94 173.87 1a2z s LYS 217 N -1.99 3.18 0.06 3.50 1.02 -1.26 -4.67 119.74 119.59 1a2z s LYS 217 Ca 0.39 -2.62 0.05 0.00 0.02 0.00 0.00 55.97 53.80 1a2z s LYS 217 Cb -0.15 -4.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.03 1a2z s LYS 217 CO 0.19 -1.24 -0.13 0.96 -0.92 0.00 0.00 175.35 174.21 1a2z s ILE 218 N -0.16 1.02 0.38 2.17 -4.36 -1.26 -5.14 121.20 113.85 1a2z s ILE 218 Ca 0.19 -1.25 -0.26 0.00 -0.26 0.00 0.00 60.65 59.07 1a2z s ILE 218 Cb -0.14 -0.99 -0.09 0.00 1.25 0.00 0.00 42.46 42.49 1a2z s ILE 218 CO -0.07 -0.24 1.15 -2.16 0.24 0.00 0.00 174.94 173.87 1a2z s PRO 219 N -1.68 4.16 0.00 0.37 0.04 -1.26 -5.08 135.00 131.56 1a2z s PRO 219 Ca -0.03 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1a2z s PRO 219 Cb -0.10 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1a2z s PRO 219 CO 0.02 -0.22 0.00 1.28 0.04 0.00 0.00 177.00 178.12