#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ula s GLU 2 N 0.00 1.63 -0.12 2.12 1.03 -1.26 -4.43 118.70 117.68 1ula s GLU 2 Ca 0.00 -0.43 -0.30 0.00 0.03 0.00 0.00 54.97 54.28 1ula s GLU 2 Cb 0.00 -2.09 -0.01 0.00 -0.80 0.00 0.00 34.13 31.23 1ula s GLU 2 CO 0.00 -1.65 1.09 -0.80 -1.33 0.00 0.00 175.26 172.57 1ula s ASN 3 N -4.67 7.14 0.00 0.83 -0.87 -1.26 -4.86 114.94 111.24 1ula s ASN 3 Ca 0.65 1.60 0.00 0.00 -1.57 0.00 0.00 52.86 53.55 1ula s ASN 3 Cb -0.08 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1ula s ASN 3 CO 0.47 -0.55 0.47 0.61 -2.57 0.00 0.00 177.10 175.54 1ula n GLY 4 N 3.25 -0.11 3.43 0.66 0.00 -1.26 -4.34 105.19 106.82 1ula n GLY 4 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1ula n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ula s TYR 5 N -1.95 3.08 -0.07 1.61 2.02 -1.26 -5.10 117.35 115.67 1ula s TYR 5 Ca 0.00 -0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 56.13 1ula s TYR 5 Cb 0.00 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 1ula s TYR 5 CO 0.00 -0.39 0.20 0.95 -1.57 0.00 0.00 175.55 174.74 1ula s THR 6 N 1.60 5.40 0.13 -0.71 -4.23 -1.26 -4.97 115.64 111.60 1ula s THR 6 Ca 0.06 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 1ula s THR 6 Cb -0.15 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.39 1ula s THR 6 CO 0.03 0.55 0.78 0.00 -0.54 0.00 0.00 174.62 175.44 1ula n TYR 7 N 1.73 0.10 -0.04 3.99 9.36 -1.26 0.26 117.16 131.30 1ula n TYR 7 Ca -0.17 0.62 0.24 0.00 3.32 0.00 0.00 57.90 61.91 1ula n TYR 7 Cb 0.54 -0.74 0.72 0.00 -0.63 0.00 0.00 39.34 39.23 1ula n TYR 7 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1ula h GLU 8 N 0.00 0.00 -0.33 2.98 4.39 -1.99 -1.58 114.58 118.05 1ula h GLU 8 Ca 0.21 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 1ula h GLU 8 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1ula h GLU 8 CO -0.51 0.00 -0.19 -0.44 -1.16 0.00 0.00 179.01 176.71 1ula h ASP 9 N 0.00 0.60 0.19 1.42 3.32 0.32 -0.84 116.42 121.44 1ula h ASP 9 Ca 0.31 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1ula h ASP 9 Cb 1.40 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1ula h ASP 9 CO -0.00 0.79 -0.09 1.88 -1.72 0.00 0.00 179.24 180.10 1ula h TYR 10 N 0.54 -0.24 -0.12 4.55 0.05 -1.36 -2.37 116.97 118.02 1ula h TYR 10 Ca 0.09 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1ula h TYR 10 Cb 0.62 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1ula h TYR 10 CO 0.03 0.06 -0.07 1.17 -1.05 0.00 0.00 178.16 178.29 1ula n LYS 11 N -4.94 -0.05 0.00 4.88 4.81 -1.04 0.15 118.16 121.97 1ula n LYS 11 Ca -0.06 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1ula n LYS 11 Cb 0.21 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1ula n LYS 11 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ula n ASN 12 N -3.12 0.00 -0.28 3.14 3.02 -0.32 -1.17 115.26 116.54 1ula n ASN 12 Ca 0.00 0.98 0.08 0.00 -0.03 0.00 0.00 54.58 55.61 1ula n ASN 12 Cb 0.03 -0.48 0.23 0.00 -0.61 0.00 0.00 39.78 38.95 1ula n ASN 12 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ula h THR 13 N 0.00 0.60 0.00 3.41 2.02 0.19 -2.21 112.91 116.92 1ula h THR 13 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1ula h THR 13 Cb 0.00 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1ula h THR 13 CO 0.00 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.97 1ula n ALA 14 N -2.52 -0.35 -0.11 6.16 0.00 0.78 -1.63 120.51 122.83 1ula n ALA 14 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 1ula n ALA 14 Cb 0.49 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 1ula n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ula n GLU 15 N -1.97 -0.12 0.01 0.00 4.07 -0.60 0.20 120.64 122.23 1ula n GLU 15 Ca 0.00 0.45 -0.14 0.00 -0.06 0.00 0.00 57.16 57.41 1ula n GLU 15 Cb 0.00 -0.66 -0.09 0.00 -0.06 0.00 0.00 31.44 30.62 1ula n GLU 15 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 1ula h TRP 16 N 0.00 -1.51 -0.75 4.31 7.01 -1.33 0.50 115.95 124.18 1ula h TRP 16 Ca 0.04 0.05 0.15 0.00 2.11 0.00 0.00 58.89 61.25 1ula h TRP 16 Cb 0.11 0.67 -0.10 0.00 -2.10 0.00 0.00 29.16 27.74 1ula h TRP 16 CO -0.32 -0.52 0.26 -0.07 -2.79 0.00 0.00 178.44 175.00 1ula h LEU 17 N -0.57 0.18 0.00 0.65 3.38 0.33 0.79 115.31 120.08 1ula h LEU 17 Ca 0.02 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ula h LEU 17 Cb 0.65 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ula h LEU 17 CO -0.39 0.04 0.00 -0.11 0.09 0.00 0.00 178.44 178.07 1ula n LEU 18 N -5.06 0.00 -0.37 1.67 7.94 0.15 -2.26 117.00 119.06 1ula n LEU 18 Ca 0.15 0.02 0.08 0.00 -1.11 0.00 0.00 56.01 55.14 1ula n LEU 18 Cb 0.45 -0.02 0.16 0.00 0.53 0.00 0.00 43.42 44.53 1ula n LEU 18 CO 0.16 -0.00 0.44 -1.20 -1.11 0.00 0.00 177.39 175.68 1ula n SER 19 N -1.02 1.90 0.00 1.96 7.64 0.15 -4.56 113.62 119.69 1ula n SER 19 Ca 0.19 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.76 1ula n SER 19 Cb 0.10 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1ula n SER 19 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ula n HIS 20 N -1.14 0.00 -3.65 1.43 8.25 -0.96 -4.98 115.22 114.17 1ula n HIS 20 Ca 0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.36 1ula n HIS 20 Cb 0.69 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.63 1ula n HIS 20 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ula s THR 21 N 0.00 0.04 -0.99 1.59 -4.23 -1.05 -4.99 115.64 106.01 1ula s THR 21 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1ula s THR 21 Cb 0.00 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1ula s THR 21 CO 0.00 -0.20 0.79 2.29 -0.54 0.00 0.00 174.62 176.96 1ula n LYS 22 N 5.23 0.00 -3.16 3.99 -0.00 -1.26 -4.49 118.16 118.47 1ula n LYS 22 Ca -0.07 0.31 -0.39 0.00 -0.00 0.00 0.00 58.31 58.16 1ula n LYS 22 Cb 0.49 -1.58 -0.06 0.00 -0.00 0.00 0.00 35.03 33.89 1ula n LYS 22 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1ula s HIS 23 N -2.58 3.76 -0.26 5.58 3.76 -1.26 -5.07 115.29 119.22 1ula s HIS 23 Ca 0.00 1.33 -0.00 0.00 -0.15 0.00 0.00 55.06 56.23 1ula s HIS 23 Cb 0.00 -2.63 0.08 0.00 1.11 0.00 0.00 32.58 31.14 1ula s HIS 23 CO 0.00 0.44 0.03 1.03 -0.85 0.00 0.00 174.74 175.39 1ula s ARG 24 N -0.60 1.07 0.32 1.40 3.00 -1.26 -4.96 118.95 117.92 1ula s ARG 24 Ca 0.32 -0.97 -0.12 0.00 0.00 0.00 0.00 55.73 54.97 1ula s ARG 24 Cb -0.20 -2.33 -0.08 0.00 0.00 0.00 0.00 34.95 32.35 1ula s ARG 24 CO 0.20 -0.77 0.69 -1.25 0.00 0.00 0.00 175.30 174.17 1ula s PRO 25 N 1.53 3.87 0.00 3.54 0.04 -1.26 -4.82 135.00 137.90 1ula s PRO 25 Ca 0.02 0.48 0.07 0.00 0.04 0.00 0.00 61.00 61.61 1ula s PRO 25 Cb -0.18 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 31.89 1ula s PRO 25 CO -0.13 0.14 0.57 0.94 0.04 0.00 0.00 177.00 178.55 1ula n GLN 26 N -0.62 1.73 -3.73 4.56 7.27 0.32 -4.11 117.38 122.79 1ula n GLN 26 Ca 0.02 -0.60 -0.15 0.00 0.07 0.00 0.00 57.00 56.34 1ula n GLN 26 Cb 0.53 -1.02 -0.15 0.00 2.41 0.00 0.00 30.24 32.01 1ula n GLN 26 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ula s VAL 27 N -0.95 -0.10 -0.11 1.69 1.01 -0.89 -3.07 120.40 117.98 1ula s VAL 27 Ca 0.06 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 1ula s VAL 27 Cb 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1ula s VAL 27 CO 0.15 0.10 0.16 0.00 0.00 0.00 0.00 175.10 175.51 1ula s ALA 28 N 1.44 3.87 0.07 5.51 0.00 -0.90 -0.89 121.76 130.87 1ula s ALA 28 Ca -0.06 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.37 1ula s ALA 28 Cb -0.12 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1ula s ALA 28 CO -0.05 0.61 -0.21 0.42 0.00 0.00 0.00 175.76 176.53 1ula s ILE 29 N -1.04 1.73 -0.17 0.00 1.01 0.10 -2.69 121.20 120.14 1ula s ILE 29 Ca 0.16 -1.39 0.01 0.00 0.00 0.00 0.00 60.65 59.43 1ula s ILE 29 Cb -0.12 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1ula s ILE 29 CO 0.05 0.08 -0.19 -0.63 0.00 0.00 0.00 174.94 174.25 1ula s ILE 30 N -0.98 2.23 -0.11 2.92 1.01 -0.60 -0.13 121.20 125.54 1ula s ILE 30 Ca 0.07 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1ula s ILE 30 Cb -0.09 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 1ula s ILE 30 CO 0.03 0.53 0.28 0.00 0.00 0.00 0.00 174.94 175.78 1ula s GLY 32 N -0.25 1.92 0.01 0.00 0.00 -1.26 -3.29 107.32 104.46 1ula s GLY 32 Ca 0.17 -1.85 -0.18 0.00 0.00 0.00 0.00 44.72 42.86 1ula s GLY 32 CO 0.06 -1.84 0.48 1.44 0.00 0.00 0.00 173.10 173.23 1ula n SER 33 N -0.92 -0.10 -3.96 1.64 7.64 -1.26 -0.83 113.62 115.83 1ula n SER 33 Ca -0.05 0.56 -0.32 0.00 1.01 0.00 0.00 58.87 60.07 1ula n SER 33 Cb 0.61 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 1ula n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ula n GLY 34 N 0.76 -0.53 0.00 0.23 0.00 -1.26 -4.65 105.19 99.74 1ula n GLY 34 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ula n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ula n LEU 35 N -4.50 0.00 0.05 0.99 4.32 -0.01 -4.74 117.00 113.11 1ula n LEU 35 Ca -0.22 -0.01 0.07 0.00 -0.02 0.00 0.00 56.01 55.83 1ula n LEU 35 Cb 0.64 0.00 0.33 0.00 -1.62 0.00 0.00 43.42 42.77 1ula n LEU 35 CO 0.74 0.13 0.73 0.61 -1.22 0.00 0.00 177.39 178.39 1ula n GLY 36 N 0.00 -0.96 0.36 -0.72 0.00 -1.26 -1.17 105.19 101.44 1ula n GLY 36 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1ula n GLY 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ula h GLY 37 N 1.63 0.00 2.00 -0.02 0.00 -1.93 -1.62 103.07 103.13 1ula h GLY 37 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1ula h GLY 37 CO 0.00 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 174.22 1ula h LEU 38 N 0.00 0.00 -0.42 3.11 6.46 -1.54 -3.12 115.31 119.80 1ula h LEU 38 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1ula h LEU 38 Cb 1.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 1ula h LEU 38 CO -0.00 0.32 0.00 0.35 -0.62 0.00 0.00 178.44 178.49 1ula n THR 39 N -3.49 1.19 0.17 1.05 -2.24 -0.61 -2.45 114.28 107.91 1ula n THR 39 Ca -0.00 0.38 0.02 0.00 -2.27 0.00 0.00 64.05 62.18 1ula n THR 39 Cb 0.48 -1.28 0.29 0.00 -2.10 0.00 0.00 70.33 67.73 1ula n THR 39 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ula h ASP 40 N 0.00 0.00 1.04 3.42 3.32 -1.74 -3.21 116.42 119.25 1ula h ASP 40 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ula h ASP 40 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ula h ASP 40 CO 0.00 0.46 0.00 0.11 -1.72 0.00 0.00 179.24 178.09 1ula h LYS 41 N 0.00 0.00 -7.33 3.56 6.56 -1.73 -3.47 116.57 114.16 1ula h LYS 41 Ca -0.00 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.17 1ula h LYS 41 Cb 0.89 0.00 0.20 0.00 -0.57 0.00 0.00 32.23 32.74 1ula h LYS 41 CO 0.06 0.00 0.09 -0.51 -2.06 0.00 0.00 179.45 177.03 1ula s LEU 42 N -5.02 0.44 -0.08 2.94 1.43 -1.22 -4.84 118.68 112.35 1ula s LEU 42 Ca 0.05 0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 53.79 1ula s LEU 42 Cb 0.09 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1ula s LEU 42 CO 0.49 -4.29 0.21 0.42 0.23 0.00 0.00 176.35 173.40 1ula s THR 43 N -2.87 0.00 -0.83 5.49 -4.23 -0.29 -4.77 115.64 108.13 1ula s THR 43 Ca 0.70 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1ula s THR 43 Cb -0.11 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1ula s THR 43 CO 0.57 -0.01 0.00 0.00 -0.54 0.00 0.00 174.62 174.64 1ula n GLN 44 N 2.93 -0.65 -1.67 3.99 1.13 -1.26 -0.31 117.38 121.54 1ula n GLN 44 Ca -0.13 0.62 -0.43 0.00 -1.94 0.00 0.00 57.00 55.12 1ula n GLN 44 Cb 0.58 -4.54 -0.01 0.00 0.11 0.00 0.00 30.24 26.38 1ula n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ula n ALA 45 N -0.10 0.93 -3.58 -1.58 0.00 -1.25 -4.37 120.51 110.55 1ula n ALA 45 Ca -0.09 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1ula n ALA 45 Cb 0.43 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 1ula n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1ula s GLN 46 N -1.75 0.26 -0.18 0.00 0.74 0.51 -4.94 119.66 114.30 1ula s GLN 46 Ca 0.57 -0.55 -0.20 0.00 0.05 0.00 0.00 55.36 55.23 1ula s GLN 46 Cb -0.60 -1.38 -0.03 0.00 1.10 0.00 0.00 33.01 32.09 1ula s GLN 46 CO 0.61 -0.96 0.58 0.42 -0.55 0.00 0.00 175.29 175.39 1ula s ILE 47 N 2.03 5.07 -0.15 -2.34 -1.09 -1.26 0.19 121.20 123.65 1ula s ILE 47 Ca 0.08 1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 59.60 1ula s ILE 47 Cb -0.16 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1ula s ILE 47 CO -0.31 0.17 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.15 1ula s PHE 48 N 1.56 1.64 0.52 3.97 0.08 -0.76 -4.99 117.98 120.00 1ula s PHE 48 Ca 0.28 -1.00 -0.19 0.00 0.12 0.00 0.00 56.93 56.14 1ula s PHE 48 Cb -0.16 -1.29 -0.07 0.00 -0.57 0.00 0.00 43.02 40.93 1ula s PHE 48 CO 0.11 -0.59 1.05 -0.51 -0.10 0.00 0.00 175.22 175.17 1ula s ASP 49 N 1.65 6.15 0.00 1.36 1.11 -1.26 -1.52 116.67 124.16 1ula s ASP 49 Ca 0.02 1.91 0.00 0.00 0.18 0.00 0.00 52.55 54.65 1ula s ASP 49 Cb -0.15 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.29 1ula s ASP 49 CO -0.08 -0.91 0.72 -1.22 1.18 0.00 0.00 175.17 174.86 1ula n TYR 50 N -1.30 0.00 0.00 4.23 4.01 -1.26 -2.51 117.16 120.33 1ula n TYR 50 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1ula n TYR 50 Cb 0.53 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 1ula n TYR 50 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1ula n SER 51 N -1.51 0.00 0.19 7.72 7.64 -1.26 0.92 113.62 127.33 1ula n SER 51 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1ula n SER 51 Cb 0.00 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.59 1ula n SER 51 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ula h GLU 52 N 0.00 0.00 -6.37 1.43 5.08 -1.88 -3.46 114.58 109.39 1ula h GLU 52 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1ula h GLU 52 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1ula h GLU 52 CO 0.00 0.34 0.25 0.42 -1.00 0.00 0.00 179.01 179.02 1ula s ILE 53 N -4.23 4.73 0.00 3.13 1.01 0.26 -5.05 121.20 121.06 1ula s ILE 53 Ca -0.03 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.45 1ula s ILE 53 Cb 0.14 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1ula s ILE 53 CO 0.72 0.29 0.00 -2.65 0.00 0.00 0.00 174.94 173.30 1ula n PRO 54 N 3.15 0.00 -0.37 2.79 -0.02 -1.26 -2.39 135.00 136.89 1ula n PRO 54 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.44 1ula n PRO 54 Cb 0.50 -0.49 0.02 0.00 -0.02 0.00 0.00 33.50 33.51 1ula n PRO 54 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ula n ASN 55 N 0.00 4.17 -4.68 2.55 3.02 -1.26 -4.94 115.26 114.12 1ula n ASN 55 Ca 0.00 -2.41 -0.43 0.00 -0.03 0.00 0.00 54.58 51.72 1ula n ASN 55 Cb 0.00 -0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 38.37 1ula n ASN 55 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ula s PHE 56 N -0.56 3.44 -0.40 3.10 5.36 -1.00 -4.92 117.98 122.99 1ula s PHE 56 Ca 0.10 1.53 -0.40 0.00 -0.96 0.00 0.00 56.93 57.19 1ula s PHE 56 Cb 0.08 -3.23 -0.16 0.00 -0.34 0.00 0.00 43.02 39.37 1ula s PHE 56 CO 0.01 -0.39 2.03 -0.35 -1.46 0.00 0.00 175.22 175.06 1ula n PRO 57 N 5.36 0.61 -1.95 10.12 -0.04 -1.26 -4.69 135.00 143.15 1ula n PRO 57 Ca 0.10 0.19 -0.32 0.00 -0.04 0.00 0.00 63.50 63.42 1ula n PRO 57 Cb 0.48 -1.96 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 1ula n PRO 57 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ula s ARG 58 N 5.31 3.22 0.49 0.54 6.06 -1.26 -4.86 118.95 128.46 1ula s ARG 58 Ca 1.11 1.17 -0.10 0.00 -2.50 0.00 0.00 55.73 55.41 1ula s ARG 58 Cb -1.19 -2.02 -0.05 0.00 0.06 0.00 0.00 34.95 31.75 1ula s ARG 58 CO 0.62 -0.89 0.86 -1.12 -2.50 0.00 0.00 175.30 172.27 1ula s SER 59 N -2.94 6.40 0.58 -2.12 0.01 -1.26 -5.02 113.70 109.35 1ula s SER 59 Ca 0.63 1.20 0.01 0.00 1.31 0.00 0.00 55.95 59.10 1ula s SER 59 Cb -0.16 -2.36 0.09 0.00 0.21 0.00 0.00 66.02 63.81 1ula s SER 59 CO 0.40 -0.58 0.67 0.35 0.41 0.00 0.00 173.24 174.49 1ula n THR 60 N -1.94 0.00 -0.31 1.44 -2.24 -1.26 -5.03 114.28 104.94 1ula n THR 60 Ca 0.03 -1.15 0.24 0.00 -2.27 0.00 0.00 64.05 60.90 1ula n THR 60 Cb 0.54 -0.96 0.38 0.00 -2.10 0.00 0.00 70.33 68.20 1ula n THR 60 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ula n VAL 61 N -2.29 -0.04 0.24 2.28 0.31 -1.26 -4.21 118.33 113.36 1ula n VAL 61 Ca 0.11 0.79 0.09 0.00 -0.01 0.00 0.00 64.34 65.32 1ula n VAL 61 Cb 0.41 -1.30 0.62 0.00 -0.91 0.00 0.00 33.84 32.66 1ula n VAL 61 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1ula h PRO 62 N 0.00 0.00 0.00 5.55 0.13 -2.02 -3.49 132.00 132.18 1ula h PRO 62 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1ula h PRO 62 Cb 1.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.85 1ula h PRO 62 CO -0.08 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 178.27 1ula n GLY 63 N -0.77 -0.49 0.24 1.56 0.00 -1.26 -4.99 105.19 99.48 1ula n GLY 63 Ca -0.02 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 44.96 1ula n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ula n HIS 64 N -0.39 0.15 -3.52 1.61 8.25 -1.26 -4.76 115.22 115.31 1ula n HIS 64 Ca 0.00 -0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 1ula n HIS 64 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1ula n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ula s ALA 65 N -1.85 3.45 0.00 -1.41 0.00 -1.26 -4.90 121.76 115.79 1ula s ALA 65 Ca 0.14 -2.58 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1ula s ALA 65 Cb 0.07 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1ula s ALA 65 CO 0.11 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.34 1ula n GLY 66 N 4.89 -0.77 3.84 0.00 0.00 -1.25 -4.49 105.19 107.41 1ula n GLY 66 Ca -0.08 0.89 -0.07 0.00 0.00 0.00 0.00 46.02 46.77 1ula n GLY 66 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ula s ARG 67 N 0.00 1.82 -0.45 1.61 3.03 -0.70 -4.32 118.95 119.94 1ula s ARG 67 Ca 0.00 -1.04 -0.07 0.00 2.03 0.00 0.00 55.73 56.65 1ula s ARG 67 Cb 0.00 0.59 0.12 0.00 -1.03 0.00 0.00 34.95 34.63 1ula s ARG 67 CO 0.00 -0.84 0.29 -1.17 -1.13 0.00 0.00 175.30 172.45 1ula s LEU 68 N -2.96 5.52 -0.32 -1.89 2.96 -0.58 -0.85 118.68 120.57 1ula s LEU 68 Ca 0.12 -1.96 -0.12 0.00 -0.22 0.00 0.00 54.13 51.96 1ula s LEU 68 Cb -0.05 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1ula s LEU 68 CO 0.07 -0.64 0.21 0.54 -1.32 0.00 0.00 176.35 175.22 1ula s VAL 69 N 1.28 5.18 0.32 1.68 0.11 -1.07 -1.82 120.40 126.08 1ula s VAL 69 Ca 0.07 -0.14 -0.09 0.00 -2.93 0.00 0.00 61.98 58.89 1ula s VAL 69 Cb -0.25 -3.60 -0.06 0.00 -1.53 0.00 0.00 36.38 30.93 1ula s VAL 69 CO -0.02 0.08 0.65 -0.36 -3.33 0.00 0.00 175.10 172.12 1ula s PHE 70 N 1.72 3.45 0.00 1.54 0.40 0.13 -2.60 117.98 122.62 1ula s PHE 70 Ca 0.06 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 1ula s PHE 70 Cb -0.17 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.05 1ula s PHE 70 CO 0.10 0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.51 1ula n GLY 71 N -0.86 1.64 2.76 4.36 0.00 -1.12 0.19 105.19 112.17 1ula n GLY 71 Ca 0.01 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1ula n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ula s PHE 72 N -0.32 0.33 -0.23 1.61 0.08 0.58 -3.78 117.98 116.24 1ula s PHE 72 Ca 0.00 0.04 -0.00 0.00 0.12 0.00 0.00 56.93 57.09 1ula s PHE 72 Cb 0.00 -0.54 0.06 0.00 -0.57 0.00 0.00 43.02 41.97 1ula s PHE 72 CO 0.00 -0.21 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.72 1ula s LEU 73 N 1.66 2.26 -1.18 -0.37 2.96 -0.57 -1.14 118.68 122.31 1ula s LEU 73 Ca -0.01 -1.13 -0.10 0.00 -0.22 0.00 0.00 54.13 52.67 1ula s LEU 73 Cb -0.13 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 1ula s LEU 73 CO -0.03 -0.26 0.78 -3.20 -1.32 0.00 0.00 176.35 172.31 1ula n ASN 74 N 4.76 -4.14 0.00 3.68 5.15 -1.26 -2.69 115.26 120.75 1ula n ASN 74 Ca -0.10 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1ula n ASN 74 Cb 0.45 -3.98 0.00 0.00 -0.53 0.00 0.00 39.78 35.71 1ula n ASN 74 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ula n GLY 75 N -1.56 2.11 3.80 8.20 0.00 -1.26 -4.55 105.19 111.93 1ula n GLY 75 Ca -0.16 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1ula n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ula s ARG 76 N 0.00 4.37 -0.46 1.61 1.81 -1.10 -5.03 118.95 120.15 1ula s ARG 76 Ca 0.00 1.09 -0.29 0.00 -1.72 0.00 0.00 55.73 54.81 1ula s ARG 76 Cb 0.00 -2.69 0.03 0.00 -0.45 0.00 0.00 34.95 31.83 1ula s ARG 76 CO 0.00 0.26 1.17 0.00 -0.68 0.00 0.00 175.30 176.04 1ula s ALA 77 N -1.71 3.15 0.41 2.13 0.00 -1.26 -1.51 121.76 122.97 1ula s ALA 77 Ca 0.50 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.11 1ula s ALA 77 Cb -0.16 -3.90 -0.07 0.00 0.00 0.00 0.00 23.12 19.00 1ula s ALA 77 CO 0.21 -2.25 0.06 0.00 0.00 0.00 0.00 175.76 173.78 1ula s VAL 79 N -2.67 1.84 -0.03 0.00 1.01 -0.07 -2.78 120.40 117.70 1ula s VAL 79 Ca 0.37 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1ula s VAL 79 Cb 0.08 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1ula s VAL 79 CO 0.19 0.52 -0.13 -0.32 0.00 0.00 0.00 175.10 175.36 1ula s MET 80 N -0.17 1.35 -0.35 2.72 0.00 -1.07 0.02 119.30 121.80 1ula s MET 80 Ca -0.01 -0.46 -0.12 0.00 0.00 0.00 0.00 55.69 55.09 1ula s MET 80 Cb -0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 34.83 33.48 1ula s MET 80 CO 0.02 0.19 0.23 -1.64 0.00 0.00 0.00 175.02 173.82 1ula s MET 81 N 0.09 3.38 -0.35 4.11 -1.94 0.82 -2.59 119.30 122.82 1ula s MET 81 Ca -0.03 -0.72 -0.15 0.00 -1.71 0.00 0.00 55.69 53.08 1ula s MET 81 Cb -0.10 -3.79 -0.01 0.00 2.01 0.00 0.00 34.83 32.95 1ula s MET 81 CO 0.01 -0.49 0.34 -1.14 -0.01 0.00 0.00 175.02 173.74 1ula s GLN 82 N 1.69 3.48 0.00 2.03 0.74 -0.03 -1.54 119.66 126.03 1ula s GLN 82 Ca 0.06 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1ula s GLN 82 Cb -0.18 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.11 1ula s GLN 82 CO 0.10 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 174.70 1ula n GLY 83 N 5.01 -2.18 0.00 2.59 0.00 -1.21 -1.73 105.19 107.68 1ula n GLY 83 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ula n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ula n ARG 84 N 0.22 1.33 -4.48 1.61 1.85 -1.25 -4.72 116.66 111.23 1ula n ARG 84 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.65 1ula n ARG 84 Cb 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.26 1ula n ARG 84 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ula s PHE 85 N 0.45 1.05 0.35 2.89 0.08 -1.26 -5.09 117.98 116.44 1ula s PHE 85 Ca 0.00 -0.22 0.06 0.00 0.12 0.00 0.00 56.93 56.89 1ula s PHE 85 Cb 0.00 -0.67 -0.07 0.00 -0.57 0.00 0.00 43.02 41.72 1ula s PHE 85 CO 0.00 -0.01 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.09 1ula s HIS 86 N -0.36 2.22 0.20 0.36 3.76 -1.26 -4.85 115.29 115.36 1ula s HIS 86 Ca 0.04 -0.73 -0.09 0.00 -0.15 0.00 0.00 55.06 54.13 1ula s HIS 86 Cb -0.05 -1.43 0.12 0.00 1.11 0.00 0.00 32.58 32.33 1ula s HIS 86 CO -0.00 0.31 1.73 0.52 -0.85 0.00 0.00 174.74 176.45 1ula h MET 87 N 2.02 1.12 0.00 1.40 2.86 -1.80 -2.76 114.93 117.77 1ula h MET 87 Ca -0.42 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 56.97 1ula h MET 87 Cb 1.24 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1ula h MET 87 CO 0.73 0.97 -0.02 0.10 1.06 0.00 0.00 176.91 179.74 1ula h TYR 88 N 1.07 0.00 0.00 -0.22 -0.00 -1.88 -1.32 116.97 114.61 1ula h TYR 88 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.96 1ula h TYR 88 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.05 1ula h TYR 88 CO 0.03 0.02 0.00 0.39 -0.00 0.00 0.00 178.16 178.60 1ula n GLU 89 N -3.91 0.23 0.00 0.10 1.02 -1.04 -4.85 120.64 112.20 1ula n GLU 89 Ca -0.03 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1ula n GLU 89 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1ula n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ula n GLY 90 N 0.99 0.57 3.70 0.62 0.00 -0.50 -5.02 105.19 105.56 1ula n GLY 90 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1ula n GLY 90 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ula s TYR 91 N -2.00 3.25 0.78 1.61 2.02 -1.26 -5.05 117.35 116.71 1ula s TYR 91 Ca 0.00 1.17 -0.13 0.00 -0.37 0.00 0.00 57.07 57.75 1ula s TYR 91 Cb 0.00 -3.48 0.07 0.00 -0.40 0.00 0.00 41.96 38.15 1ula s TYR 91 CO 0.00 -1.55 1.16 -2.14 -1.57 0.00 0.00 175.55 171.45 1ula s PRO 92 N 1.63 1.94 0.00 -1.71 0.02 -1.26 -4.56 135.00 131.06 1ula s PRO 92 Ca 0.59 1.55 0.09 0.00 0.02 0.00 0.00 61.00 63.25 1ula s PRO 92 Cb -0.29 -1.83 0.43 0.00 0.02 0.00 0.00 34.50 32.83 1ula s PRO 92 CO 0.27 -1.94 1.21 1.28 -0.33 0.00 0.00 177.00 177.49 1ula n LEU 93 N -3.23 0.00 -0.54 -5.54 4.77 -1.26 -1.60 117.00 109.60 1ula n LEU 93 Ca 0.12 0.36 0.09 0.00 -0.03 0.00 0.00 56.01 56.56 1ula n LEU 93 Cb 0.51 -0.36 0.34 0.00 -2.33 0.00 0.00 43.42 41.58 1ula n LEU 93 CO 0.49 -0.25 0.75 -2.67 -1.33 0.00 0.00 177.39 174.37 1ula n TRP 94 N -1.36 0.25 -0.08 -1.77 4.27 -1.26 -3.32 117.44 114.16 1ula n TRP 94 Ca 0.04 -0.12 -0.16 0.00 -3.89 0.00 0.00 57.50 53.36 1ula n TRP 94 Cb 0.08 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.98 1ula n TRP 94 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1ula n LYS 95 N 0.30 0.33 -0.29 -2.67 5.02 -0.62 -4.00 118.16 116.23 1ula n LYS 95 Ca 0.15 0.15 0.05 0.00 -2.02 0.00 0.00 58.31 56.64 1ula n LYS 95 Cb 0.31 -1.06 0.20 0.00 -0.02 0.00 0.00 35.03 34.46 1ula n LYS 95 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1ula h VAL 96 N -0.57 0.79 0.00 -0.18 -1.51 -1.60 -1.71 116.25 111.46 1ula h VAL 96 Ca -0.37 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1ula h VAL 96 Cb 1.28 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1ula h VAL 96 CO -0.22 0.12 -0.15 0.74 -1.23 0.00 0.00 177.57 176.83 1ula h THR 97 N 0.66 0.00 -0.47 7.19 2.02 -1.81 -3.40 112.91 117.10 1ula h THR 97 Ca 0.43 -0.73 0.09 0.00 0.77 0.00 0.00 66.41 66.98 1ula h THR 97 Cb 0.55 1.64 -0.10 0.00 -1.74 0.00 0.00 68.15 68.50 1ula h THR 97 CO -0.32 0.00 -0.24 0.15 0.37 0.00 0.00 175.52 175.48 1ula h PHE 98 N 0.00 -0.61 -0.45 3.16 3.57 -1.44 -1.89 116.94 119.28 1ula h PHE 98 Ca 0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1ula h PHE 98 Cb 0.86 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 1ula h PHE 98 CO 0.00 -0.32 -0.33 -1.35 -2.23 0.00 0.00 178.31 174.09 1ula h PRO 99 N -0.14 -0.08 -0.98 6.41 0.11 -1.79 0.56 132.00 136.09 1ula h PRO 99 Ca 0.22 0.01 0.28 0.00 0.11 0.00 0.00 66.00 66.62 1ula h PRO 99 Cb 0.48 0.02 -0.18 0.00 0.11 0.00 0.00 31.00 31.43 1ula h PRO 99 CO -0.55 -0.05 0.08 0.28 -0.21 0.00 0.00 178.00 177.54 1ula h VAL 100 N -0.08 0.03 -0.19 3.15 2.07 -1.64 0.19 116.25 119.78 1ula h VAL 100 Ca 0.07 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1ula h VAL 100 Cb 0.27 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1ula h VAL 100 CO -0.47 0.00 0.11 0.03 0.02 0.00 0.00 177.57 177.26 1ula h ARG 101 N 0.02 0.26 -0.09 1.57 -0.00 -0.90 -0.99 114.38 114.24 1ula h ARG 101 Ca 0.62 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 60.10 1ula h ARG 101 Cb 1.31 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 31.20 1ula h ARG 101 CO -0.90 0.24 -0.07 -0.39 0.00 0.00 0.00 179.97 178.85 1ula h VAL 102 N 0.21 0.79 -0.83 2.04 -1.51 -0.38 -1.47 116.25 115.09 1ula h VAL 102 Ca 0.07 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.74 1ula h VAL 102 Cb 0.05 0.79 -0.13 0.00 -2.13 0.00 0.00 31.29 29.87 1ula h VAL 102 CO -0.01 0.00 0.23 -0.26 -1.23 0.00 0.00 177.57 176.30 1ula h PHE 103 N -0.08 0.36 0.00 5.19 0.04 -0.81 0.37 116.94 122.01 1ula h PHE 103 Ca 0.06 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1ula h PHE 103 Cb 0.17 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1ula h PHE 103 CO -0.18 -0.14 0.00 1.58 -0.60 0.00 0.00 178.31 178.97 1ula n HIS 104 N -5.18 0.00 0.06 -0.55 -0.00 -0.41 0.13 115.22 109.27 1ula n HIS 104 Ca 0.19 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.93 1ula n HIS 104 Cb 0.60 -0.07 0.09 0.00 -0.00 0.00 0.00 29.99 30.61 1ula n HIS 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ula n LEU 105 N -1.07 0.09 0.01 0.27 4.77 0.51 0.24 117.00 121.82 1ula n LEU 105 Ca 0.00 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1ula n LEU 105 Cb 0.00 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1ula n LEU 105 CO 0.00 -0.33 0.48 -0.07 -1.33 0.00 0.00 177.39 176.13 1ula h LEU 106 N 0.00 -0.09 0.00 2.23 4.07 0.49 -3.47 115.31 118.54 1ula h LEU 106 Ca 0.00 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.45 1ula h LEU 106 Cb 0.68 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1ula h LEU 106 CO 0.00 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 178.49 1ula n GLY 107 N 0.66 0.11 3.76 0.83 0.00 0.14 -4.95 105.19 105.74 1ula n GLY 107 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1ula n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ula s VAL 108 N -0.11 2.97 -0.03 1.61 1.01 -1.19 -4.76 120.40 119.90 1ula s VAL 108 Ca 0.00 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.93 1ula s VAL 108 Cb 0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1ula s VAL 108 CO 0.00 0.18 0.09 -0.90 0.00 0.00 0.00 175.10 174.47 1ula n ASP 109 N 1.60 3.57 -4.32 3.32 5.68 -1.17 -4.78 116.55 120.44 1ula n ASP 109 Ca 0.03 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.06 1ula n ASP 109 Cb 0.42 1.05 -0.13 0.00 -1.14 0.00 0.00 41.12 41.32 1ula n ASP 109 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ula s THR 110 N -2.33 1.91 -0.10 2.12 2.01 -1.20 -0.86 115.64 117.21 1ula s THR 110 Ca -0.03 -1.64 -0.02 0.00 0.31 0.00 0.00 61.69 60.32 1ula s THR 110 Cb 0.03 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.85 1ula s THR 110 CO 0.25 -0.02 0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 1ula s LEU 111 N -2.00 0.71 -0.18 4.42 2.96 0.45 -2.12 118.68 122.92 1ula s LEU 111 Ca 0.10 -0.23 -0.13 0.00 -0.22 0.00 0.00 54.13 53.64 1ula s LEU 111 Cb -0.10 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 1ula s LEU 111 CO 0.05 -0.21 0.26 0.54 -1.32 0.00 0.00 176.35 175.66 1ula s VAL 112 N 1.95 5.33 -0.22 1.68 0.11 -1.10 -2.60 120.40 125.54 1ula s VAL 112 Ca 0.04 0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 59.54 1ula s VAL 112 Cb -0.13 -3.59 0.02 0.00 -1.53 0.00 0.00 36.38 31.15 1ula s VAL 112 CO -0.06 0.39 -0.11 0.68 -3.33 0.00 0.00 175.10 172.67 1ula s VAL 113 N 0.53 2.58 0.31 2.04 -7.23 -1.07 -1.56 120.40 115.99 1ula s VAL 113 Ca 0.14 -0.98 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 1ula s VAL 113 Cb -0.13 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1ula s VAL 113 CO 0.03 0.33 0.35 0.42 -0.31 0.00 0.00 175.10 175.92 1ula s THR 114 N 1.31 4.13 0.01 5.32 -4.23 0.28 -2.10 115.64 120.37 1ula s THR 114 Ca 0.02 -1.19 -0.29 0.00 -1.18 0.00 0.00 61.69 59.05 1ula s THR 114 Cb -0.15 -3.40 0.11 0.00 1.34 0.00 0.00 72.50 70.39 1ula s THR 114 CO -0.07 -0.22 1.15 0.54 -0.54 0.00 0.00 174.62 175.47 1ula s ASN 115 N -4.03 -0.13 -0.34 3.99 6.03 -1.05 -4.36 114.94 115.06 1ula s ASN 115 Ca 0.40 -0.18 0.02 0.00 -1.03 0.00 0.00 52.86 52.06 1ula s ASN 115 Cb -0.08 0.27 0.10 0.00 -3.03 0.00 0.00 41.25 38.52 1ula s ASN 115 CO 0.28 -0.49 0.09 0.00 -2.03 0.00 0.00 177.10 174.95 1ula s ALA 116 N -2.73 2.20 1.11 3.54 0.00 -1.26 0.41 121.76 125.03 1ula s ALA 116 Ca 0.12 -2.14 -0.19 0.00 0.00 0.00 0.00 51.96 49.76 1ula s ALA 116 Cb 0.02 -1.80 0.26 0.00 0.00 0.00 0.00 23.12 21.60 1ula s ALA 116 CO -0.03 -1.71 1.23 0.00 0.00 0.00 0.00 175.76 175.25 1ula s ALA 117 N 1.18 1.36 -0.12 0.00 0.00 -1.06 -4.86 121.76 118.27 1ula s ALA 117 Ca 0.11 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1ula s ALA 117 Cb -0.19 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1ula s ALA 117 CO -0.16 -3.14 -0.15 0.20 0.00 0.00 0.00 175.76 172.51 1ula s GLY 118 N -4.46 1.50 0.35 0.00 0.00 -0.92 -3.08 107.32 100.71 1ula s GLY 118 Ca 0.74 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1ula s GLY 118 CO 0.55 -0.28 0.61 -0.32 0.00 0.00 0.00 173.10 173.66 1ula s GLY 119 N 0.24 1.66 0.00 0.20 0.00 -1.22 -1.94 107.32 106.26 1ula s GLY 119 Ca -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1ula s GLY 119 CO 0.06 -0.51 0.01 1.04 0.00 0.00 0.00 173.10 173.70 1ula n LEU 120 N -1.44 0.01 -4.77 0.66 4.77 0.15 -2.57 117.00 113.82 1ula n LEU 120 Ca -0.02 -0.32 -0.38 0.00 -0.03 0.00 0.00 56.01 55.26 1ula n LEU 120 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1ula n LEU 120 CO 0.49 0.00 0.24 0.21 -1.33 0.00 0.00 177.39 177.00 1ula s ASN 121 N -0.61 6.89 0.00 -1.43 3.84 -1.12 -4.93 114.94 117.58 1ula s ASN 121 Ca 0.00 1.06 0.05 0.00 0.21 0.00 0.00 52.86 54.18 1ula s ASN 121 Cb 0.00 -2.33 0.31 0.00 -0.55 0.00 0.00 41.25 38.68 1ula s ASN 121 CO 0.00 0.12 0.74 -0.81 -2.79 0.00 0.00 177.10 174.36 1ula n PRO 122 N 2.77 0.44 -3.60 0.43 -0.04 -1.26 -3.86 135.00 129.88 1ula n PRO 122 Ca -0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 1ula n PRO 122 Cb 0.51 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 1ula n PRO 122 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1ula n LYS 123 N -0.69 1.77 -3.70 0.54 2.85 -1.26 -5.05 118.16 112.62 1ula n LYS 123 Ca 0.04 -4.27 -0.13 0.00 -1.05 0.00 0.00 58.31 52.90 1ula n LYS 123 Cb 0.02 -2.10 -0.09 0.00 -0.65 0.00 0.00 35.03 32.21 1ula n LYS 123 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1ula s PHE 124 N -1.62 -0.58 0.16 5.58 0.40 -1.25 -5.12 117.98 115.55 1ula s PHE 124 Ca 0.32 1.38 0.08 0.00 -0.60 0.00 0.00 56.93 58.11 1ula s PHE 124 Cb 0.06 0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.77 1ula s PHE 124 CO -0.11 -0.29 -0.07 -1.21 0.70 0.00 0.00 175.22 174.24 1ula s GLU 125 N 0.47 2.18 0.30 0.44 0.41 -1.26 -5.03 118.70 116.21 1ula s GLU 125 Ca -0.02 -1.15 -0.29 0.00 -0.41 0.00 0.00 54.97 53.11 1ula s GLU 125 Cb -0.04 -2.26 -0.13 0.00 -1.78 0.00 0.00 34.13 29.92 1ula s GLU 125 CO -0.02 0.46 1.25 1.55 -0.49 0.00 0.00 175.26 178.01 1ula n VAL 126 N 0.19 1.75 0.00 2.63 3.14 -1.26 -1.23 118.33 123.55 1ula n VAL 126 Ca -0.11 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 1ula n VAL 126 Cb 0.54 -1.41 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 1ula n VAL 126 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ula n GLY 127 N 1.19 3.18 3.34 7.55 0.00 0.95 -4.98 105.19 116.41 1ula n GLY 127 Ca 0.07 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1ula n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ula n ASP 128 N 0.14 -2.72 -4.05 1.61 9.92 -0.37 -4.67 116.55 116.42 1ula n ASP 128 Ca 0.00 0.39 -0.28 0.00 -0.53 0.00 0.00 54.79 54.37 1ula n ASP 128 Cb 0.00 -1.10 -0.17 0.00 -0.64 0.00 0.00 41.12 39.21 1ula n ASP 128 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ula s ILE 129 N -2.16 1.42 -0.06 0.53 1.01 -1.26 -1.25 121.20 119.43 1ula s ILE 129 Ca 0.56 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1ula s ILE 129 Cb -0.26 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 1ula s ILE 129 CO 0.68 0.42 -0.20 -0.32 0.00 0.00 0.00 174.94 175.52 1ula s MET 130 N 0.90 2.61 -0.43 2.79 -2.45 -0.57 -0.68 119.30 121.47 1ula s MET 130 Ca -0.09 -0.82 -0.25 0.00 -1.25 0.00 0.00 55.69 53.29 1ula s MET 130 Cb -0.15 -2.28 0.02 0.00 1.25 0.00 0.00 34.83 33.67 1ula s MET 130 CO 0.00 0.44 0.87 -1.17 1.05 0.00 0.00 175.02 176.21 1ula s LEU 131 N -0.29 4.08 0.31 4.11 0.20 -0.39 0.01 118.68 126.71 1ula s LEU 131 Ca 0.01 0.17 -0.30 0.00 0.69 0.00 0.00 54.13 54.70 1ula s LEU 131 Cb -0.13 -3.12 -0.11 0.00 -0.43 0.00 0.00 46.19 42.40 1ula s LEU 131 CO 0.03 -0.94 1.57 -0.63 -0.29 0.00 0.00 176.35 176.09 1ula s ILE 132 N 3.50 2.08 -0.03 6.68 1.01 -0.48 -3.33 121.20 130.63 1ula s ILE 132 Ca 0.35 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.13 1ula s ILE 132 Cb -0.11 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 1ula s ILE 132 CO 0.23 0.01 0.12 -1.14 0.00 0.00 0.00 174.94 174.16 1ula n ARG 133 N 1.85 1.01 -3.87 2.79 0.63 0.06 -4.61 116.66 114.52 1ula n ARG 133 Ca 0.07 -0.05 -0.05 0.00 -0.92 0.00 0.00 57.85 56.90 1ula n ARG 133 Cb 0.38 -1.17 0.02 0.00 0.45 0.00 0.00 32.46 32.14 1ula n ARG 133 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ula s ASP 134 N -3.11 0.03 0.18 6.15 -1.08 -1.23 -4.74 116.67 112.86 1ula s ASP 134 Ca -0.03 -0.86 -0.06 0.00 -0.52 0.00 0.00 52.55 51.08 1ula s ASP 134 Cb 0.04 0.62 -0.02 0.00 -1.46 0.00 0.00 42.92 42.09 1ula s ASP 134 CO 0.29 -1.23 0.24 -1.38 0.52 0.00 0.00 175.17 173.60 1ula s HIS 135 N -2.08 0.63 -0.22 -5.34 -3.43 -1.25 -0.08 115.29 103.51 1ula s HIS 135 Ca 0.21 -0.97 -0.04 0.00 -0.80 0.00 0.00 55.06 53.46 1ula s HIS 135 Cb -0.04 -0.20 0.07 0.00 -1.43 0.00 0.00 32.58 30.99 1ula s HIS 135 CO 0.08 -0.70 0.09 0.42 -2.00 0.00 0.00 174.74 172.62 1ula s ILE 136 N -4.03 0.15 -0.78 -5.38 1.01 -0.97 -4.87 121.20 106.33 1ula s ILE 136 Ca 0.24 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1ula s ILE 136 Cb 0.04 -0.90 0.13 0.00 0.01 0.00 0.00 42.46 41.75 1ula s ILE 136 CO 0.04 -0.43 0.93 0.21 0.00 0.00 0.00 174.94 175.70 1ula s ASN 137 N 2.01 6.47 0.06 3.58 3.04 -1.26 -1.02 114.94 127.82 1ula s ASN 137 Ca 0.04 -1.83 -0.17 0.00 0.04 0.00 0.00 52.86 50.93 1ula s ASN 137 Cb -0.16 -2.35 -0.14 0.00 -1.54 0.00 0.00 41.25 37.06 1ula s ASN 137 CO -0.18 -1.05 1.31 -0.07 -3.04 0.00 0.00 177.10 174.06 1ula h LEU 138 N 10.01 0.61 -1.95 3.21 3.38 -1.97 -3.13 115.31 125.47 1ula h LEU 138 Ca -0.04 -0.56 0.18 0.00 0.09 0.00 0.00 57.88 57.55 1ula h LEU 138 Cb 1.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1ula h LEU 138 CO 1.06 1.05 0.53 -0.65 0.09 0.00 0.00 178.44 180.52 1ula h PRO 139 N 0.18 0.00 0.00 1.13 0.11 -1.85 0.29 132.00 131.86 1ula h PRO 139 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ula h PRO 139 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ula h PRO 139 CO 0.08 0.00 -0.97 0.41 -0.21 0.00 0.00 178.00 177.31 1ula n GLY 140 N -1.59 -1.29 0.24 -0.55 0.00 -1.19 -1.17 105.19 99.63 1ula n GLY 140 Ca 0.12 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1ula n GLY 140 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ula h PHE 141 N 0.00 0.00 -0.53 1.61 0.04 -0.36 -2.84 116.94 114.86 1ula h PHE 141 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ula h PHE 141 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1ula h PHE 141 CO 0.00 0.18 0.00 0.43 -0.60 0.00 0.00 178.31 178.32 1ula n SER 142 N -3.93 3.79 0.00 2.17 7.64 -1.23 -4.97 113.62 117.08 1ula n SER 142 Ca -0.02 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.65 1ula n SER 142 Cb 0.27 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1ula n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ula n GLY 143 N 0.90 0.58 3.09 0.23 0.00 -1.07 -4.97 105.19 103.94 1ula n GLY 143 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1ula n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ula n GLN 144 N -2.00 3.10 -4.29 1.61 1.13 -0.32 -4.89 117.38 111.73 1ula n GLN 144 Ca 0.00 -3.04 -0.19 0.00 -1.94 0.00 0.00 57.00 51.82 1ula n GLN 144 Cb 0.00 -3.29 -0.13 0.00 0.11 0.00 0.00 30.24 26.93 1ula n GLN 144 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ula s ASN 145 N 3.21 1.66 0.31 1.08 3.84 -1.26 -3.20 114.94 120.59 1ula s ASN 145 Ca 0.48 -0.51 0.14 0.00 0.21 0.00 0.00 52.86 53.18 1ula s ASN 145 Cb 0.09 -0.09 0.48 0.00 -0.55 0.00 0.00 41.25 41.18 1ula s ASN 145 CO -0.01 -0.01 1.66 1.55 -2.79 0.00 0.00 177.10 177.50 1ula h PRO 146 N 4.71 0.00 -0.11 0.43 0.14 -1.90 -3.06 132.00 132.21 1ula h PRO 146 Ca -0.39 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.75 1ula h PRO 146 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1ula h PRO 146 CO 0.43 0.52 0.00 1.28 0.14 0.00 0.00 178.00 180.37 1ula n LEU 147 N -3.68 0.33 -4.55 1.56 4.32 -1.26 -4.82 117.00 108.90 1ula n LEU 147 Ca -0.01 -0.17 -0.40 0.00 -0.02 0.00 0.00 56.01 55.41 1ula n LEU 147 Cb 0.58 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 42.28 1ula n LEU 147 CO 0.40 0.08 1.28 -0.60 -1.22 0.00 0.00 177.39 177.33 1ula s ARG 148 N -1.88 3.21 0.00 3.23 3.52 -1.16 -4.80 118.95 121.07 1ula s ARG 148 Ca 0.03 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1ula s ARG 148 Cb 0.02 -4.48 0.00 0.00 -1.56 0.00 0.00 34.95 28.93 1ula s ARG 148 CO 0.02 -2.25 0.00 0.41 -0.81 0.00 0.00 175.30 172.68 1ula n GLY 149 N 5.77 -1.15 3.77 8.12 0.00 -1.26 -4.74 105.19 115.70 1ula n GLY 149 Ca 0.12 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1ula n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ula s PRO 150 N -1.87 4.15 0.45 1.61 0.04 -1.26 -4.96 135.00 133.15 1ula s PRO 150 Ca 0.00 2.30 -0.20 0.00 0.04 0.00 0.00 61.00 63.14 1ula s PRO 150 Cb 0.00 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 1ula s PRO 150 CO 0.00 -0.39 0.96 1.21 0.04 0.00 0.00 177.00 178.82 1ula s ASN 151 N -0.47 6.86 -0.57 6.66 2.47 -1.26 -4.91 114.94 123.73 1ula s ASN 151 Ca 0.53 1.68 0.01 0.00 0.42 0.00 0.00 52.86 55.49 1ula s ASN 151 Cb -0.41 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.00 1ula s ASN 151 CO 0.55 -0.41 0.34 -0.62 -3.72 0.00 0.00 177.10 173.23 1ula s ASP 152 N -2.32 4.77 0.63 -4.21 -1.08 -1.26 -4.95 116.67 108.24 1ula s ASP 152 Ca 0.62 -2.93 0.24 0.00 -0.52 0.00 0.00 52.55 49.97 1ula s ASP 152 Cb -0.09 -1.74 1.22 0.00 -1.46 0.00 0.00 42.92 40.85 1ula s ASP 152 CO 0.16 -0.30 1.68 -0.33 0.52 0.00 0.00 175.17 176.90 1ula h GLU 153 N 6.77 0.00 0.00 4.34 4.39 -1.88 3.11 114.58 131.31 1ula h GLU 153 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1ula h GLU 153 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1ula h GLU 153 CO 0.70 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.55 1ula h ARG 154 N 0.00 0.00 0.00 2.33 3.08 -1.98 -3.20 114.38 114.61 1ula h ARG 154 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1ula h ARG 154 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1ula h ARG 154 CO -0.00 0.00 -0.47 1.19 -1.07 0.00 0.00 179.97 179.62 1ula n PHE 155 N -3.01 0.18 -2.65 3.04 3.72 0.99 -5.08 117.46 114.64 1ula n PHE 155 Ca 0.01 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1ula n PHE 155 Cb 0.31 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1ula n PHE 155 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ula n GLY 156 N 1.54 2.19 0.61 1.37 0.00 0.13 -4.54 105.19 106.48 1ula n GLY 156 Ca -0.07 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 1ula n GLY 156 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ula n ASP 157 N -0.40 -1.88 -0.12 1.61 8.00 -1.26 -3.49 116.55 119.01 1ula n ASP 157 Ca 0.00 -0.36 -0.26 0.00 0.71 0.00 0.00 54.79 54.87 1ula n ASP 157 Cb 0.00 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 1ula n ASP 157 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1ula n ARG 158 N -2.44 0.58 -3.65 -1.24 0.00 -1.26 -4.72 116.66 103.92 1ula n ARG 158 Ca 0.03 0.40 -0.30 0.00 -0.00 0.00 0.00 57.85 57.97 1ula n ARG 158 Cb 0.11 -1.60 -0.09 0.00 0.00 0.00 0.00 32.46 30.88 1ula n ARG 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ula n PHE 159 N -4.33 3.54 -2.13 -0.14 3.72 -1.26 -5.07 117.46 111.79 1ula n PHE 159 Ca -0.45 -4.14 -0.34 0.00 -0.05 0.00 0.00 57.45 52.48 1ula n PHE 159 Cb 0.80 -0.75 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1ula n PHE 159 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ula s PRO 160 N -1.85 3.29 0.51 -1.08 0.04 -1.26 -5.03 135.00 129.63 1ula s PRO 160 Ca 0.30 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ula s PRO 160 Cb 0.02 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1ula s PRO 160 CO -0.10 -0.86 0.75 0.00 0.04 0.00 0.00 177.00 176.83 1ula s ALA 161 N -2.14 3.75 0.00 8.56 0.00 -1.26 -5.03 121.76 125.65 1ula s ALA 161 Ca 0.68 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1ula s ALA 161 Cb -0.19 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1ula s ALA 161 CO 0.32 -0.60 0.52 -1.33 0.00 0.00 0.00 175.76 174.67 1ula n MET 162 N -2.26 0.56 0.07 0.00 2.81 -1.26 -4.83 117.12 112.21 1ula n MET 162 Ca 0.05 -0.62 -0.12 0.00 -1.81 0.00 0.00 57.70 55.19 1ula n MET 162 Cb 0.59 -0.64 -0.05 0.00 -0.71 0.00 0.00 33.22 32.40 1ula n MET 162 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ula h SER 163 N 0.00 -0.97 0.00 7.83 4.64 -2.03 -2.49 113.55 120.53 1ula h SER 163 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ula h SER 163 Cb 0.74 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ula h SER 163 CO 0.00 -0.39 0.04 -0.67 -0.87 0.00 0.00 176.83 174.94 1ula n ASP 164 N -5.42 0.00 -0.09 4.97 2.03 -1.26 -4.80 116.55 111.98 1ula n ASP 164 Ca -0.05 0.08 -0.06 0.00 0.52 0.00 0.00 54.79 55.27 1ula n ASP 164 Cb 0.33 -0.08 -0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1ula n ASP 164 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ula h ALA 165 N 1.33 0.06 -2.65 -1.67 0.00 -1.77 -3.40 119.26 111.16 1ula h ALA 165 Ca 0.00 0.12 -0.76 0.00 0.00 0.00 0.00 54.91 54.27 1ula h ALA 165 Cb 0.08 0.43 -0.27 0.00 0.00 0.00 0.00 17.79 18.03 1ula h ALA 165 CO 0.00 -0.57 -0.13 0.71 0.00 0.00 0.00 179.25 179.27 1ula s TYR 166 N -6.14 3.53 -0.07 0.00 2.02 -1.26 -4.23 117.35 111.20 1ula s TYR 166 Ca -0.14 -1.89 -0.10 0.00 -0.37 0.00 0.00 57.07 54.57 1ula s TYR 166 Cb 0.13 -3.68 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 1ula s TYR 166 CO 0.69 -0.98 0.31 -0.25 -1.57 0.00 0.00 175.55 173.75 1ula n ASP 167 N 4.39 0.16 -0.25 2.29 9.92 0.02 -4.88 116.55 128.20 1ula n ASP 167 Ca 0.02 0.26 -0.04 0.00 -0.53 0.00 0.00 54.79 54.51 1ula n ASP 167 Cb 0.43 -0.20 0.13 0.00 -0.64 0.00 0.00 41.12 40.85 1ula n ASP 167 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1ula h ARG 168 N 0.93 1.08 0.07 -1.24 3.08 -1.91 -2.37 114.38 114.01 1ula h ARG 168 Ca -0.10 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 1ula h ARG 168 Cb 0.31 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ula h ARG 168 CO 0.19 0.85 -0.03 1.15 -1.07 0.00 0.00 179.97 181.05 1ula h THR 169 N 1.07 1.22 0.00 2.04 2.02 -1.98 0.29 112.91 117.57 1ula h THR 169 Ca 0.26 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1ula h THR 169 Cb 0.14 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1ula h THR 169 CO -0.03 0.28 0.00 0.24 0.37 0.00 0.00 175.52 176.38 1ula h MET 170 N -0.62 0.00 0.00 6.66 2.86 -1.95 1.97 114.93 123.84 1ula h MET 170 Ca -0.01 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.36 1ula h MET 170 Cb 0.52 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 1ula h MET 170 CO 0.02 0.00 -1.58 0.00 1.06 0.00 0.00 176.91 176.40 1ula h ARG 171 N 0.00 0.00 0.03 1.72 3.08 -1.33 0.12 114.38 118.00 1ula h ARG 171 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1ula h ARG 171 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1ula h ARG 171 CO 0.00 0.53 -0.79 1.96 -1.07 0.00 0.00 179.97 180.60 1ula h GLN 172 N 0.00 0.07 -0.38 0.04 4.20 -0.08 -2.76 115.11 116.20 1ula h GLN 172 Ca -0.24 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.39 1ula h GLN 172 Cb 1.94 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.74 1ula h GLN 172 CO 0.08 1.06 0.26 0.00 -0.67 0.00 0.00 178.83 179.55 1ula h ARG 173 N -0.82 0.36 0.04 1.46 -0.00 0.30 0.12 114.38 115.83 1ula h ARG 173 Ca -0.20 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.26 1ula h ARG 173 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.19 1ula h ARG 173 CO -0.06 0.23 -0.02 0.00 0.00 0.00 0.00 179.97 180.13 1ula h ALA 174 N 1.79 -0.05 -0.25 0.04 0.00 -0.83 -3.06 119.26 116.90 1ula h ALA 174 Ca 0.16 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ula h ALA 174 Cb 0.18 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1ula h ALA 174 CO -0.04 -0.23 -0.52 -0.07 0.00 0.00 0.00 179.25 178.39 1ula h LEU 175 N -0.65 -1.69 0.00 0.00 3.38 -0.86 -1.97 115.31 113.52 1ula h LEU 175 Ca -0.01 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ula h LEU 175 Cb 0.58 0.68 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ula h LEU 175 CO 0.01 -0.44 0.00 -1.20 0.09 0.00 0.00 178.44 176.89 1ula n SER 176 N -5.42 0.00 -0.35 -0.43 7.64 0.27 -1.34 113.62 113.99 1ula n SER 176 Ca -0.04 0.96 0.33 0.00 1.01 0.00 0.00 58.87 61.12 1ula n SER 176 Cb 0.36 -0.46 0.58 0.00 -1.01 0.00 0.00 64.21 63.68 1ula n SER 176 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ula n THR 177 N -2.82 -0.33 0.29 0.44 -1.04 -0.77 0.36 114.28 110.41 1ula n THR 177 Ca 0.00 1.80 0.17 0.00 -2.04 0.00 0.00 64.05 63.98 1ula n THR 177 Cb 0.00 -2.94 0.84 0.00 -1.82 0.00 0.00 70.33 66.41 1ula n THR 177 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1ula h TRP 178 N 0.00 0.00 0.19 -1.42 2.91 -0.88 -0.92 115.95 115.83 1ula h TRP 178 Ca 0.80 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.81 1ula h TRP 178 Cb 2.30 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.95 1ula h TRP 178 CO -0.01 0.04 -0.09 1.57 -1.03 0.00 0.00 178.44 178.92 1ula h LYS 179 N 0.00 -0.25 -0.10 2.65 2.10 0.63 -2.78 116.57 118.83 1ula h LYS 179 Ca -0.00 0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.67 1ula h LYS 179 Cb 0.34 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 1ula h LYS 179 CO 0.01 -0.16 -0.06 1.04 -2.00 0.00 0.00 179.45 178.28 1ula n GLN 180 N -2.98 -0.04 0.18 0.07 6.02 -0.72 0.41 117.38 120.31 1ula n GLN 180 Ca -0.03 0.50 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 1ula n GLN 180 Cb 0.10 -0.75 0.63 0.00 1.02 0.00 0.00 30.24 31.24 1ula n GLN 180 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1ula h MET 181 N 0.00 0.00 -6.21 -1.09 0.00 -1.34 -3.47 114.93 102.82 1ula h MET 181 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 59.70 59.28 1ula h MET 181 Cb 0.04 0.00 0.05 0.00 0.00 0.00 0.00 31.60 31.69 1ula h MET 181 CO -0.09 0.00 -0.89 0.41 0.00 0.00 0.00 176.91 176.34 1ula n GLY 182 N -0.75 -0.58 3.77 8.32 0.00 1.35 -4.97 105.19 112.34 1ula n GLY 182 Ca -0.00 0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1ula n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ula s GLU 183 N -6.04 2.62 0.00 1.61 2.56 -1.17 -5.03 118.70 113.25 1ula s GLU 183 Ca 0.20 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.52 1ula s GLU 183 Cb -0.06 -1.93 0.00 0.00 2.00 0.00 0.00 34.13 34.14 1ula s GLU 183 CO 0.85 -1.39 0.14 0.94 -0.56 0.00 0.00 175.26 175.24 1ula n GLN 184 N -2.72 0.00 -1.47 4.30 7.27 -1.26 -4.81 117.38 118.68 1ula n GLN 184 Ca 0.10 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.87 1ula n GLN 184 Cb 0.52 -0.64 0.08 0.00 2.41 0.00 0.00 30.24 32.61 1ula n GLN 184 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1ula s ARG 185 N -0.29 2.40 0.42 3.69 1.70 -1.26 -5.04 118.95 120.57 1ula s ARG 185 Ca 0.00 0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 55.97 1ula s ARG 185 Cb 0.00 -1.93 -0.10 0.00 -0.57 0.00 0.00 34.95 32.35 1ula s ARG 185 CO 0.00 -1.47 0.90 -2.00 -1.08 0.00 0.00 175.30 171.66 1ula s GLU 186 N -5.04 4.10 -0.91 3.89 2.12 -1.26 -5.04 118.70 116.56 1ula s GLU 186 Ca 0.60 0.96 -0.18 0.00 0.36 0.00 0.00 54.97 56.71 1ula s GLU 186 Cb -0.15 -2.23 0.15 0.00 0.26 0.00 0.00 34.13 32.15 1ula s GLU 186 CO 0.55 -0.04 1.06 -1.17 -0.54 0.00 0.00 175.26 175.12 1ula s LEU 187 N -3.36 5.36 1.09 2.70 2.96 -1.26 -4.65 118.68 121.51 1ula s LEU 187 Ca 0.59 -2.15 -0.16 0.00 -0.22 0.00 0.00 54.13 52.19 1ula s LEU 187 Cb -0.09 -2.36 0.13 0.00 0.50 0.00 0.00 46.19 44.36 1ula s LEU 187 CO 0.19 -0.98 0.34 0.00 -1.32 0.00 0.00 176.35 174.58 1ula n GLN 188 N 6.08 -1.43 -3.73 1.98 1.13 0.14 -4.80 117.38 116.76 1ula n GLN 188 Ca 0.22 -0.39 -0.12 0.00 -1.94 0.00 0.00 57.00 54.77 1ula n GLN 188 Cb 0.49 -1.85 -0.12 0.00 0.11 0.00 0.00 30.24 28.87 1ula n GLN 188 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1ula s GLU 189 N -3.72 0.32 0.06 -1.09 2.12 -1.26 -1.27 118.70 113.86 1ula s GLU 189 Ca 0.59 0.59 -0.06 0.00 0.36 0.00 0.00 54.97 56.45 1ula s GLU 189 Cb -0.17 0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.25 1ula s GLU 189 CO 0.66 -0.12 0.29 0.41 -0.54 0.00 0.00 175.26 175.95 1ula n GLY 190 N 3.82 1.20 3.84 -1.50 0.00 -1.21 -4.90 105.19 106.44 1ula n GLY 190 Ca -0.21 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 1ula n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ula s THR 191 N -2.47 5.12 -0.27 2.61 2.01 -1.26 -0.77 115.64 120.60 1ula s THR 191 Ca 0.06 0.73 -0.08 0.00 0.31 0.00 0.00 61.69 62.71 1ula s THR 191 Cb -0.01 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1ula s THR 191 CO 0.02 0.58 0.09 -0.47 -0.69 0.00 0.00 174.62 174.15 1ula s TYR 192 N -1.04 3.12 -0.15 4.92 5.04 0.88 -1.59 117.35 128.53 1ula s TYR 192 Ca 0.22 -0.54 -0.07 0.00 -2.44 0.00 0.00 57.07 54.24 1ula s TYR 192 Cb -0.16 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.84 1ula s TYR 192 CO 0.12 -0.41 0.09 0.54 -1.34 0.00 0.00 175.55 174.54 1ula s VAL 193 N 1.60 5.08 0.19 3.14 0.11 -0.79 -2.30 120.40 127.42 1ula s VAL 193 Ca 0.05 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1ula s VAL 193 Cb -0.16 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1ula s VAL 193 CO 0.04 0.53 0.37 -0.32 -3.33 0.00 0.00 175.10 172.39 1ula s MET 194 N -0.27 3.52 -0.12 1.54 1.75 -0.18 -3.24 119.30 122.30 1ula s MET 194 Ca 0.09 -0.35 -0.06 0.00 -1.25 0.00 0.00 55.69 54.13 1ula s MET 194 Cb -0.12 -2.86 0.05 0.00 2.84 0.00 0.00 34.83 34.75 1ula s MET 194 CO 0.01 0.42 0.28 0.08 -0.65 0.00 0.00 175.02 175.16 1ula s VAL 195 N -1.83 -0.11 0.00 10.11 1.01 -0.89 -3.63 120.40 125.07 1ula s VAL 195 Ca 0.38 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1ula s VAL 195 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1ula s VAL 195 CO 0.29 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.45 1ula n ALA 196 N 4.44 0.00 -0.05 5.51 0.00 -1.26 -3.85 120.51 125.30 1ula n ALA 196 Ca -0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 1ula n ALA 196 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1ula n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ula n GLY 197 N 1.02 -0.14 0.21 0.00 0.00 -1.26 -4.47 105.19 100.55 1ula n GLY 197 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1ula n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ula h PRO 198 N -0.00 0.67 -7.21 1.61 0.13 -1.95 -3.47 132.00 121.77 1ula h PRO 198 Ca -0.02 -0.52 -0.47 0.00 -0.87 0.00 0.00 66.00 64.12 1ula h PRO 198 Cb 0.06 0.10 0.20 0.00 0.13 0.00 0.00 31.00 31.49 1ula h PRO 198 CO 0.02 1.14 0.11 -1.54 -0.23 0.00 0.00 178.00 177.50 1ula s SER 199 N -7.04 1.89 0.28 1.44 1.04 -1.26 -4.99 113.70 105.06 1ula s SER 199 Ca -0.09 1.76 -0.01 0.00 0.48 0.00 0.00 55.95 58.10 1ula s SER 199 Cb 0.10 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 1ula s SER 199 CO 0.88 -3.67 0.49 -0.36 0.98 0.00 0.00 173.24 171.55 1ula s PHE 200 N -2.57 3.49 0.18 5.02 0.08 -1.26 -5.04 117.98 117.88 1ula s PHE 200 Ca 0.67 0.39 -0.32 0.00 0.12 0.00 0.00 56.93 57.80 1ula s PHE 200 Cb -0.24 -1.91 -0.11 0.00 -0.57 0.00 0.00 43.02 40.20 1ula s PHE 200 CO 0.61 0.24 1.66 -1.21 -0.10 0.00 0.00 175.22 176.42 1ula s GLU 201 N -3.79 4.16 0.00 0.44 0.41 -1.26 -5.01 118.70 113.65 1ula s GLU 201 Ca 0.40 2.50 0.00 0.00 -0.41 0.00 0.00 54.97 57.46 1ula s GLU 201 Cb -0.10 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 29.10 1ula s GLU 201 CO 0.32 -0.70 0.00 0.25 -0.49 0.00 0.00 175.26 174.64 1ula n THR 202 N 4.03 0.00 -0.09 3.63 -2.24 -1.26 -4.79 114.28 113.57 1ula n THR 202 Ca 0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 1ula n THR 202 Cb 0.37 -0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 1ula n THR 202 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ula n VAL 203 N -0.01 1.22 0.18 2.28 0.31 -1.26 -2.70 118.33 118.34 1ula n VAL 203 Ca 0.00 -0.70 -0.11 0.00 -0.01 0.00 0.00 64.34 63.53 1ula n VAL 203 Cb 0.00 -0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 1ula n VAL 203 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ula h ALA 204 N 0.71 -0.51 -0.87 3.52 0.00 -1.96 -1.85 119.26 118.29 1ula h ALA 204 Ca -0.48 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.40 1ula h ALA 204 Cb 2.03 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.87 1ula h ALA 204 CO 0.01 -0.53 -0.36 0.93 0.00 0.00 0.00 179.25 179.30 1ula h GLU 205 N -1.04 -0.05 -0.60 0.00 5.08 -1.96 2.31 114.58 118.33 1ula h GLU 205 Ca -0.05 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1ula h GLU 205 Cb 0.50 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1ula h GLU 205 CO 0.09 -0.03 0.18 0.00 -1.00 0.00 0.00 179.01 178.25 1ula h ARG 207 N 0.34 0.00 0.00 0.00 3.08 0.48 -1.03 114.38 117.25 1ula h ARG 207 Ca 0.31 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 1ula h ARG 207 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1ula h ARG 207 CO -0.35 0.00 -0.47 -0.39 -1.07 0.00 0.00 179.97 177.70 1ula h VAL 208 N 0.00 0.97 -0.92 2.04 -1.51 0.11 -2.37 116.25 114.58 1ula h VAL 208 Ca 0.00 -1.88 0.22 0.00 -1.23 0.00 0.00 66.70 63.81 1ula h VAL 208 Cb 0.17 1.99 -0.17 0.00 -2.13 0.00 0.00 31.29 31.15 1ula h VAL 208 CO 0.00 0.33 -0.08 0.18 -1.23 0.00 0.00 177.57 176.77 1ula n LEU 209 N -4.58 -0.20 0.03 4.19 4.32 -0.51 0.49 117.00 120.74 1ula n LEU 209 Ca -0.15 1.56 -0.19 0.00 -0.02 0.00 0.00 56.01 57.21 1ula n LEU 209 Cb 0.43 -0.53 -0.11 0.00 -1.62 0.00 0.00 43.42 41.59 1ula n LEU 209 CO 0.20 -1.55 0.14 -0.61 -1.22 0.00 0.00 177.39 174.35 1ula h GLN 210 N 0.00 0.58 -0.82 3.23 4.15 -1.27 -2.98 115.11 118.01 1ula h GLN 210 Ca 0.51 -0.64 0.02 0.00 0.77 0.00 0.00 58.65 59.31 1ula h GLN 210 Cb 0.95 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 1ula h GLN 210 CO -0.89 1.25 0.54 0.87 -1.93 0.00 0.00 178.83 178.66 1ula h LYS 211 N 0.18 1.05 0.00 1.69 1.79 0.61 0.19 116.57 122.08 1ula h LYS 211 Ca -0.11 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1ula h LYS 211 Cb 1.56 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1ula h LYS 211 CO 0.17 0.69 0.06 1.28 -1.08 0.00 0.00 179.45 180.58 1ula n LEU 212 N -4.54 0.00 -1.40 2.94 4.32 0.14 -4.77 117.00 113.70 1ula n LEU 212 Ca 0.09 0.23 -0.08 0.00 -0.02 0.00 0.00 56.01 56.23 1ula n LEU 212 Cb 0.04 -0.23 0.02 0.00 -1.62 0.00 0.00 43.42 41.63 1ula n LEU 212 CO 0.35 -0.23 0.04 0.61 -1.22 0.00 0.00 177.39 176.94 1ula n GLY 213 N -1.18 0.31 3.91 -0.72 0.00 0.68 -5.06 105.19 103.12 1ula n GLY 213 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 1ula n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ula s ALA 214 N -2.90 3.37 0.00 4.61 0.00 -1.14 -4.81 121.76 120.89 1ula s ALA 214 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1ula s ALA 214 Cb -0.07 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1ula s ALA 214 CO 0.19 -0.53 0.00 -0.25 0.00 0.00 0.00 175.76 175.16 1ula n ASP 215 N -2.39 4.00 -4.10 0.00 8.00 -0.62 -4.65 116.55 116.79 1ula n ASP 215 Ca 0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 1ula n ASP 215 Cb 0.56 0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 42.12 1ula n ASP 215 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ula s ALA 216 N -1.72 0.68 0.02 2.24 0.00 -1.16 0.31 121.76 122.14 1ula s ALA 216 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1ula s ALA 216 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1ula s ALA 216 CO 0.00 -0.16 -0.07 0.54 0.00 0.00 0.00 175.76 176.07 1ula s VAL 217 N -2.61 0.52 0.00 0.00 0.11 -0.82 -1.88 120.40 115.72 1ula s VAL 217 Ca 0.00 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 1ula s VAL 217 Cb -0.02 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1ula s VAL 217 CO -0.03 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 1ula n GLY 218 N 2.12 2.28 2.04 6.54 0.00 -1.20 -2.16 105.19 114.81 1ula n GLY 218 Ca -0.18 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 1ula n GLY 218 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ula n MET 219 N 0.00 1.45 -3.08 1.61 2.81 -1.25 -2.09 117.12 116.58 1ula n MET 219 Ca 0.00 -3.11 -0.03 0.00 -1.81 0.00 0.00 57.70 52.75 1ula n MET 219 Cb 0.00 -1.20 0.02 0.00 -0.71 0.00 0.00 33.22 31.32 1ula n MET 219 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1ula n SER 220 N -0.33 -1.29 0.00 7.83 3.41 -1.26 -4.55 113.62 117.42 1ula n SER 220 Ca 0.14 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1ula n SER 220 Cb 0.92 2.12 0.00 0.00 -0.26 0.00 0.00 64.21 66.99 1ula n SER 220 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ula n THR 221 N -0.47 0.00 -0.05 6.66 -1.04 -1.26 -4.83 114.28 113.29 1ula n THR 221 Ca -0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 1ula n THR 221 Cb 0.41 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.82 1ula n THR 221 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1ula h VAL 222 N 0.00 1.37 0.00 12.58 2.07 -1.97 -2.80 116.25 127.51 1ula h VAL 222 Ca 0.00 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.59 1ula h VAL 222 Cb 0.00 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1ula h VAL 222 CO 0.00 0.45 0.00 -2.65 0.02 0.00 0.00 177.57 175.39 1ula n PRO 223 N -4.68 0.00 -0.34 1.57 -0.02 -1.26 -1.15 135.00 129.11 1ula n PRO 223 Ca -0.08 0.87 0.29 0.00 -2.02 0.00 0.00 63.50 62.56 1ula n PRO 223 Cb 0.36 -1.43 0.55 0.00 -0.02 0.00 0.00 33.50 32.95 1ula n PRO 223 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ula h GLU 224 N 0.00 0.15 -0.03 -0.52 3.07 -1.91 -0.51 114.58 114.84 1ula h GLU 224 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1ula h GLU 224 Cb 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1ula h GLU 224 CO 0.00 0.10 -0.07 0.28 -1.40 0.00 0.00 179.01 177.92 1ula h VAL 225 N 0.15 1.46 -0.50 3.13 2.07 -0.85 -2.62 116.25 119.10 1ula h VAL 225 Ca 0.80 -1.46 0.10 0.00 0.82 0.00 0.00 66.70 66.96 1ula h VAL 225 Cb 2.04 2.38 -0.09 0.00 -1.52 0.00 0.00 31.29 34.09 1ula h VAL 225 CO -0.66 0.39 -0.07 0.40 0.02 0.00 0.00 177.57 177.65 1ula h ILE 226 N -0.47 0.54 0.00 4.57 2.04 -0.04 0.26 117.51 124.41 1ula h ILE 226 Ca -0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ula h ILE 226 Cb 0.67 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1ula h ILE 226 CO 0.01 0.01 -0.06 1.33 0.00 0.00 0.00 178.15 179.44 1ula n VAL 227 N -5.31 0.04 0.05 1.67 0.24 -0.87 -1.63 118.33 112.52 1ula n VAL 227 Ca 0.05 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 62.27 1ula n VAL 227 Cb 0.27 -0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 32.18 1ula n VAL 227 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ula h ALA 228 N 2.97 -0.23 -0.06 2.33 0.00 -0.48 -3.25 119.26 120.55 1ula h ALA 228 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ula h ALA 228 Cb 0.52 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ula h ALA 228 CO 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 179.25 179.06 1ula h ARG 229 N -1.02 0.00 -0.71 0.00 2.47 -0.60 -1.60 114.38 112.92 1ula h ARG 229 Ca -0.02 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.72 1ula h ARG 229 Cb 0.35 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.63 1ula h ARG 229 CO 0.04 0.00 0.47 1.25 0.56 0.00 0.00 179.97 182.29 1ula h HIS 230 N 0.00 0.86 -0.08 3.04 2.76 -1.36 -0.94 115.15 119.43 1ula h HIS 230 Ca 0.03 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1ula h HIS 230 Cb 0.12 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.79 1ula h HIS 230 CO 0.00 0.52 0.00 0.00 -1.30 0.00 0.00 177.93 177.15 1ula n GLY 232 N 1.07 -0.18 3.89 0.00 0.00 -0.36 -5.00 105.19 104.62 1ula n GLY 232 Ca 0.17 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1ula n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ula s LEU 233 N -5.44 4.20 -0.08 0.99 1.43 -1.02 -4.99 118.68 113.77 1ula s LEU 233 Ca 0.09 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.03 1ula s LEU 233 Cb -0.04 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 1ula s LEU 233 CO 0.56 0.10 0.95 -0.60 0.23 0.00 0.00 176.35 177.59 1ula s ARG 234 N -2.93 4.45 0.03 1.70 3.52 -0.04 -4.50 118.95 121.19 1ula s ARG 234 Ca 0.33 1.30 0.07 0.00 -0.13 0.00 0.00 55.73 57.31 1ula s ARG 234 Cb -0.11 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1ula s ARG 234 CO 0.27 -0.20 -0.22 0.08 -0.81 0.00 0.00 175.30 174.43 1ula s VAL 235 N 1.59 1.73 0.02 7.11 1.01 -1.26 -0.41 120.40 130.19 1ula s VAL 235 Ca 0.47 -1.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1ula s VAL 235 Cb -0.19 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.77 1ula s VAL 235 CO 0.20 0.30 0.56 0.72 0.00 0.00 0.00 175.10 176.88 1ula s PHE 236 N -0.72 -0.48 0.28 5.22 -0.12 -1.07 -0.80 117.98 120.28 1ula s PHE 236 Ca 0.08 0.64 -0.20 0.00 -0.05 0.00 0.00 56.93 57.40 1ula s PHE 236 Cb -0.09 0.36 0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1ula s PHE 236 CO 0.01 -0.63 0.79 0.20 -0.05 0.00 0.00 175.22 175.55 1ula s GLY 237 N -1.74 0.02 0.09 1.99 0.00 -1.26 -2.60 107.32 103.81 1ula s GLY 237 Ca -0.07 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.30 1ula s GLY 237 CO 0.01 0.01 -0.06 -1.36 0.00 0.00 0.00 173.10 171.70 1ula s PHE 238 N -3.30 0.82 -0.20 1.90 0.08 -0.89 -1.39 117.98 115.00 1ula s PHE 238 Ca 0.13 -0.87 -0.01 0.00 0.12 0.00 0.00 56.93 56.30 1ula s PHE 238 Cb -0.05 -0.48 0.01 0.00 -0.57 0.00 0.00 43.02 41.92 1ula s PHE 238 CO 0.07 -0.16 -0.12 -1.12 -0.10 0.00 0.00 175.22 173.79 1ula s SER 239 N -2.81 3.70 -0.19 1.36 0.01 0.10 -2.52 113.70 113.35 1ula s SER 239 Ca 0.08 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.51 1ula s SER 239 Cb 0.03 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1ula s SER 239 CO -0.05 -0.01 1.07 -0.22 0.41 0.00 0.00 173.24 174.44 1ula s LEU 240 N 1.38 4.14 -0.58 2.44 2.96 0.16 -1.51 118.68 127.68 1ula s LEU 240 Ca 0.05 1.46 -0.28 0.00 -0.22 0.00 0.00 54.13 55.15 1ula s LEU 240 Cb -0.14 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.04 1ula s LEU 240 CO -0.08 -0.64 1.18 -0.63 -1.32 0.00 0.00 176.35 174.86 1ula s ILE 241 N 2.99 4.04 -0.20 6.68 1.09 -0.38 -2.55 121.20 132.87 1ula s ILE 241 Ca 0.47 0.89 -0.16 0.00 -1.10 0.00 0.00 60.65 60.74 1ula s ILE 241 Cb -0.17 -4.72 -0.20 0.00 -1.06 0.00 0.00 42.46 36.31 1ula s ILE 241 CO 0.10 -1.32 0.17 0.35 -0.10 0.00 0.00 174.94 174.14 1ula n THR 242 N 6.66 1.59 -3.03 2.92 -2.24 -1.18 -0.03 114.28 118.98 1ula n THR 242 Ca 0.08 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1ula n THR 242 Cb 0.49 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 1ula n THR 242 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ula n ASN 243 N -4.14 0.50 -2.75 3.42 6.94 -1.26 -4.74 115.26 113.23 1ula n ASN 243 Ca -0.35 -0.78 -0.06 0.00 -0.02 0.00 0.00 54.58 53.37 1ula n ASN 243 Cb 0.80 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.26 1ula n ASN 243 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ula n LYS 244 N -0.58 0.67 -1.26 -3.83 5.02 -1.26 -3.37 118.16 113.55 1ula n LYS 244 Ca 0.00 -1.85 -0.49 0.00 -2.02 0.00 0.00 58.31 53.94 1ula n LYS 244 Cb 0.00 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 1ula n LYS 244 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ula n VAL 245 N 2.19 0.00 -2.25 -0.18 0.31 -1.06 -4.86 118.33 112.48 1ula n VAL 245 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.03 1ula n VAL 245 Cb 0.60 -0.09 -0.02 0.00 -0.91 0.00 0.00 33.84 33.42 1ula n VAL 245 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ula s ILE 246 N 0.52 3.91 -0.26 2.52 -1.09 -1.26 -4.87 121.20 120.67 1ula s ILE 246 Ca 0.76 1.04 0.11 0.00 -2.23 0.00 0.00 60.65 60.34 1ula s ILE 246 Cb -1.07 -3.87 0.51 0.00 -1.58 0.00 0.00 42.46 36.45 1ula s ILE 246 CO 0.51 -0.31 1.45 0.23 -1.23 0.00 0.00 174.94 175.59 1ula n MET 247 N 7.37 2.13 -3.82 2.79 2.81 -1.26 -4.65 117.12 122.49 1ula n MET 247 Ca 0.17 -3.07 -0.09 0.00 -1.81 0.00 0.00 57.70 52.90 1ula n MET 247 Cb 0.45 -1.82 -0.07 0.00 -0.71 0.00 0.00 33.22 31.07 1ula n MET 247 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ula s ASP 248 N -2.35 0.05 -0.37 7.83 1.01 -1.26 -4.99 116.67 116.59 1ula s ASP 248 Ca 0.44 -0.53 -0.28 0.00 0.71 0.00 0.00 52.55 52.89 1ula s ASP 248 Cb 0.39 0.35 0.02 0.00 1.01 0.00 0.00 42.92 44.68 1ula s ASP 248 CO 0.03 -0.71 1.03 -0.31 0.21 0.00 0.00 175.17 175.42 1ula s TYR 249 N -3.53 3.06 0.22 4.23 2.02 -1.26 -4.94 117.35 117.15 1ula s TYR 249 Ca 0.02 0.95 -0.22 0.00 -0.37 0.00 0.00 57.07 57.46 1ula s TYR 249 Cb 0.03 -3.81 0.05 0.00 -0.40 0.00 0.00 41.96 37.84 1ula s TYR 249 CO -0.09 -0.88 0.89 -1.83 -1.57 0.00 0.00 175.55 172.07 1ula s GLU 250 N 3.73 1.52 -0.96 -0.62 -1.05 -1.26 -5.12 118.70 114.93 1ula s GLU 250 Ca 0.43 -0.89 -0.15 0.00 -0.15 0.00 0.00 54.97 54.21 1ula s GLU 250 Cb -0.11 0.48 0.19 0.00 -0.44 0.00 0.00 34.13 34.25 1ula s GLU 250 CO 0.20 -0.70 1.05 -1.12 0.95 0.00 0.00 175.26 175.63 1ula s SER 251 N -3.04 6.84 0.42 0.83 0.01 -1.26 -5.05 113.70 112.45 1ula s SER 251 Ca 0.14 -2.63 -0.23 0.00 1.31 0.00 0.00 55.95 54.55 1ula s SER 251 Cb -0.03 -2.31 -0.12 0.00 0.21 0.00 0.00 66.02 63.77 1ula s SER 251 CO 0.05 -0.74 0.61 0.00 0.41 0.00 0.00 173.24 173.57 1ula n LEU 252 N 4.99 0.31 -0.09 2.44 -0.00 -1.26 -4.92 117.00 118.46 1ula n LEU 252 Ca 0.22 0.93 -0.11 0.00 -0.00 0.00 0.00 56.01 57.05 1ula n LEU 252 Cb 0.46 -1.14 -0.04 0.00 -0.00 0.00 0.00 43.42 42.70 1ula n LEU 252 CO 0.46 -2.71 -0.70 1.21 -0.00 0.00 0.00 177.39 175.65 1ula n GLU 253 N 0.53 0.52 -0.07 1.47 4.07 -1.26 -5.05 120.64 120.84 1ula n GLU 253 Ca 0.11 0.30 -0.02 0.00 -0.06 0.00 0.00 57.16 57.49 1ula n GLU 253 Cb 0.39 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 1ula n GLU 253 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1ula n LYS 254 N -4.47 0.00 0.00 5.31 3.00 -1.26 -5.01 118.16 115.73 1ula n LYS 254 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1ula n LYS 254 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.48 1ula n LYS 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ula n ALA 255 N -0.11 0.00 -2.82 3.14 0.00 -1.26 -5.17 120.51 114.29 1ula n ALA 255 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1ula n ALA 255 Cb 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1ula n ALA 255 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ula s ASN 256 N 0.00 0.20 0.00 0.00 -0.87 -1.26 -5.02 114.94 107.99 1ula s ASN 256 Ca 0.00 -1.19 0.00 0.00 -1.57 0.00 0.00 52.86 50.10 1ula s ASN 256 Cb 0.00 0.54 0.00 0.00 -0.02 0.00 0.00 41.25 41.77 1ula s ASN 256 CO 0.00 -1.08 0.00 1.41 -2.57 0.00 0.00 177.10 174.86 1ula n HIS 257 N -0.39 0.00 0.00 2.20 8.25 -1.26 -4.82 115.22 119.20 1ula n HIS 257 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ula n HIS 257 Cb 0.63 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1ula n HIS 257 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ula n GLU 258 N -2.16 4.04 -0.33 -0.41 1.02 -1.26 -2.78 120.64 118.75 1ula n GLU 258 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1ula n GLU 258 Cb 0.00 -0.43 0.09 0.00 -0.02 0.00 0.00 31.44 31.08 1ula n GLU 258 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ula h GLU 259 N 0.00 -0.01 0.00 3.49 4.57 -1.96 -3.24 114.58 117.43 1ula h GLU 259 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ula h GLU 259 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ula h GLU 259 CO 0.00 -0.01 0.00 0.28 -1.18 0.00 0.00 179.01 178.10 1ula n VAL 260 N -5.55 0.00 0.09 0.32 0.31 -1.26 -4.95 118.33 107.30 1ula n VAL 260 Ca 0.12 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.56 1ula n VAL 260 Cb 0.44 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1ula n VAL 260 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ula n LEU 261 N -1.28 -1.61 -0.14 7.52 0.00 -1.22 -5.00 117.00 115.26 1ula n LEU 261 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 56.01 56.40 1ula n LEU 261 Cb 0.00 1.77 0.01 0.00 0.00 0.00 0.00 43.42 45.20 1ula n LEU 261 CO 0.00 -0.14 0.22 0.00 0.00 0.00 0.00 177.39 177.48 1ula n ALA 262 N -2.81 2.53 -0.33 1.96 0.00 -1.26 -4.51 120.51 116.09 1ula n ALA 262 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1ula n ALA 262 Cb 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1ula n ALA 262 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ula n ALA 263 N -0.16 -0.51 0.05 0.00 0.00 -1.26 0.21 120.51 118.84 1ula n ALA 263 Ca 0.02 0.68 -0.03 0.00 0.00 0.00 0.00 53.44 54.11 1ula n ALA 263 Cb 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 1ula n ALA 263 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ula h GLY 264 N 0.00 0.00 0.00 0.00 0.00 -1.68 -3.32 103.07 98.07 1ula h GLY 264 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ula h GLY 264 CO -0.75 0.00 0.00 1.17 0.00 0.00 0.00 176.54 176.96 1ula n LYS 265 N -3.10 0.00 0.00 4.80 4.81 0.16 0.11 118.16 124.94 1ula n LYS 265 Ca -0.06 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1ula n LYS 265 Cb 0.88 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.64 1ula n LYS 265 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1ula n GLN 266 N -1.39 0.00 -0.34 1.64 7.27 0.55 -0.25 117.38 124.87 1ula n GLN 266 Ca 0.00 0.61 0.07 0.00 0.07 0.00 0.00 57.00 57.75 1ula n GLN 266 Cb 0.00 -1.08 0.25 0.00 2.41 0.00 0.00 30.24 31.83 1ula n GLN 266 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ula h ALA 267 N -1.58 1.56 -0.30 1.69 0.00 -1.68 -0.45 119.26 118.49 1ula h ALA 267 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ula h ALA 267 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ula h ALA 267 CO 0.00 0.23 0.04 0.00 0.00 0.00 0.00 179.25 179.52 1ula h ALA 268 N 1.53 1.50 -0.81 0.00 0.00 0.23 -3.05 119.26 118.66 1ula h ALA 268 Ca 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ula h ALA 268 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1ula h ALA 268 CO -0.22 0.37 0.46 0.37 0.00 0.00 0.00 179.25 180.22 1ula h GLN 269 N 0.44 1.11 -0.06 0.00 4.15 0.11 -2.61 115.11 118.26 1ula h GLN 269 Ca 0.10 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1ula h GLN 269 Cb 0.24 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1ula h GLN 269 CO 0.00 0.80 -0.45 -0.22 -1.93 0.00 0.00 178.83 177.03 1ula h LYS 270 N 1.12 0.14 0.09 1.69 3.64 -1.55 -1.63 116.57 120.07 1ula h LYS 270 Ca 0.29 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.34 1ula h LYS 270 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ula h LYS 270 CO -0.05 0.57 -1.15 1.25 -2.27 0.00 0.00 179.45 177.80 1ula h LEU 271 N 0.11 0.46 -0.91 5.20 6.46 -1.55 -1.25 115.31 123.83 1ula h LEU 271 Ca 0.01 -0.45 -0.04 0.00 -0.12 0.00 0.00 57.88 57.27 1ula h LEU 271 Cb 0.85 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1ula h LEU 271 CO 0.07 1.31 0.28 -0.33 -0.62 0.00 0.00 178.44 179.15 1ula h GLU 272 N 0.12 1.07 -0.17 1.25 5.08 -1.26 0.62 114.58 121.28 1ula h GLU 272 Ca -0.12 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 1ula h GLU 272 Cb 1.84 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1ula h GLU 272 CO 0.19 0.88 -0.39 1.96 -1.00 0.00 0.00 179.01 180.64 1ula h GLN 273 N 1.04 0.57 -0.17 2.33 4.20 -1.28 -2.13 115.11 119.67 1ula h GLN 273 Ca 0.24 -0.38 0.03 0.00 0.06 0.00 0.00 58.65 58.60 1ula h GLN 273 Cb 0.21 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1ula h GLN 273 CO -0.02 1.00 -0.04 0.35 -0.67 0.00 0.00 178.83 179.45 1ula h PHE 274 N 0.23 -0.09 -0.88 2.96 3.57 -0.86 -1.46 116.94 120.41 1ula h PHE 274 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1ula h PHE 274 Cb 1.00 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1ula h PHE 274 CO 0.10 -0.07 0.58 0.28 -2.23 0.00 0.00 178.31 176.97 1ula h VAL 275 N 0.00 1.17 -0.36 1.41 2.07 0.21 -2.63 116.25 118.12 1ula h VAL 275 Ca 0.08 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1ula h VAL 275 Cb 0.12 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1ula h VAL 275 CO -0.17 0.21 -0.11 -1.28 0.02 0.00 0.00 177.57 176.24 1ula h SER 276 N 1.13 0.71 0.00 0.57 0.87 -0.62 -2.58 113.55 113.63 1ula h SER 276 Ca 0.34 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1ula h SER 276 Cb -0.01 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1ula h SER 276 CO -0.10 0.92 0.00 -0.38 -0.53 0.00 0.00 176.83 176.75 1ula n ILE 277 N -4.38 0.00 0.35 2.23 5.41 -0.64 -3.42 119.36 118.92 1ula n ILE 277 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.84 1ula n ILE 277 Cb 0.36 -0.50 -0.05 0.00 -0.71 0.00 0.00 39.64 38.74 1ula n ILE 277 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1ula n LEU 278 N -0.91 0.51 0.05 1.39 4.77 -0.98 -3.98 117.00 117.84 1ula n LEU 278 Ca 0.17 0.01 0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1ula n LEU 278 Cb 0.08 -0.05 0.61 0.00 -2.33 0.00 0.00 43.42 41.72 1ula n LEU 278 CO 0.12 0.01 1.15 0.24 -1.33 0.00 0.00 177.39 177.58 1ula h MET 279 N 0.00 0.14 0.00 3.23 2.86 -1.57 -1.90 114.93 117.69 1ula h MET 279 Ca 0.00 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1ula h MET 279 Cb 0.84 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1ula h MET 279 CO 0.00 0.10 -0.46 0.00 1.06 0.00 0.00 176.91 177.61 1ula h ALA 280 N 1.80 1.13 -0.00 6.32 0.00 -1.80 -3.06 119.26 123.65 1ula h ALA 280 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ula h ALA 280 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ula h ALA 280 CO -0.02 0.57 -0.38 0.43 0.00 0.00 0.00 179.25 179.84 1ula n SER 281 N -3.83 0.58 -4.63 0.00 7.64 -0.73 -4.85 113.62 107.80 1ula n SER 281 Ca -0.01 -0.36 -0.40 0.00 1.01 0.00 0.00 58.87 59.11 1ula n SER 281 Cb 0.50 0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 1ula n SER 281 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ula s ILE 282 N -2.85 5.01 0.89 0.44 1.01 -1.15 -5.00 121.20 119.55 1ula s ILE 282 Ca 0.15 1.10 -0.16 0.00 0.00 0.00 0.00 60.65 61.74 1ula s ILE 282 Cb 0.18 -3.92 -0.11 0.00 0.01 0.00 0.00 42.46 38.63 1ula s ILE 282 CO 0.63 0.06 -0.36 -2.65 0.00 0.00 0.00 174.94 172.62 1ula n PRO 283 N 5.52 -0.02 -4.80 2.79 -0.02 -1.26 -4.96 135.00 132.24 1ula n PRO 283 Ca -0.01 0.01 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 1ula n PRO 283 Cb 0.49 -1.23 -0.17 0.00 -0.02 0.00 0.00 33.50 32.57 1ula n PRO 283 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ula s LEU 284 N 5.14 2.10 0.13 2.45 0.20 -1.26 -5.03 118.68 122.41 1ula s LEU 284 Ca 0.48 -0.59 -0.25 0.00 0.69 0.00 0.00 54.13 54.46 1ula s LEU 284 Cb -0.25 -1.44 -0.06 0.00 -0.43 0.00 0.00 46.19 44.02 1ula s LEU 284 CO 0.75 0.10 1.43 1.55 -0.29 0.00 0.00 176.35 179.90 1ula h PRO 285 N 7.18 -0.01 -5.21 0.98 0.13 -1.99 -3.16 132.00 129.90 1ula h PRO 285 Ca -0.29 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.59 1ula h PRO 285 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1ula h PRO 285 CO 0.53 -0.01 1.15 -0.25 -0.23 0.00 0.00 178.00 179.20 1ula n ASP 286 N -4.81 0.52 -4.24 1.44 8.00 -1.26 -4.68 116.55 111.52 1ula n ASP 286 Ca 0.01 -0.83 -0.41 0.00 0.71 0.00 0.00 54.79 54.27 1ula n ASP 286 Cb 0.21 -1.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.12 1ula n ASP 286 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ula s LYS 287 N 8.17 3.80 -0.01 -1.24 1.02 -1.20 -4.73 119.74 125.55 1ula s LYS 287 Ca 1.13 -3.26 0.14 0.00 0.02 0.00 0.00 55.97 54.00 1ula s LYS 287 Cb -0.53 -4.29 0.41 0.00 -0.52 0.00 0.00 37.83 32.90 1ula s LYS 287 CO 0.33 -1.25 1.34 0.00 -0.92 0.00 0.00 175.35 174.85 1ula n ALA 288 N 2.51 2.26 0.00 5.17 0.00 -1.26 -5.18 120.51 124.01 1ula n ALA 288 Ca 0.23 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1ula n ALA 288 Cb 0.38 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1ula n ALA 288 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95