#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1quf n ASP 9 N 0.00 0.00 -4.61 0.00 2.03 -1.26 -5.09 116.55 107.63 1quf n ASP 9 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1quf n ASP 9 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1quf n ASP 9 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1quf s VAL 10 N 0.00 4.69 0.24 5.18 1.01 -1.26 -5.02 120.40 125.25 1quf s VAL 10 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 1quf s VAL 10 Cb 0.00 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1quf s VAL 10 CO 0.00 -0.39 1.25 -2.16 0.00 0.00 0.00 175.10 173.80 1quf s PRO 11 N 3.20 4.44 -0.12 2.72 0.04 -1.26 -5.03 135.00 138.99 1quf s PRO 11 Ca 0.35 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.34 1quf s PRO 11 Cb -0.13 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.28 1quf s PRO 11 CO 0.15 -0.13 0.29 0.14 0.04 0.00 0.00 177.00 177.50 1quf s VAL 12 N -0.43 -0.03 -1.35 -0.36 -7.23 -1.26 -4.71 120.40 105.03 1quf s VAL 12 Ca 0.52 0.11 -0.09 0.00 -1.81 0.00 0.00 61.98 60.71 1quf s VAL 12 Cb -0.36 -0.44 0.00 0.00 0.56 0.00 0.00 36.38 36.15 1quf s VAL 12 CO 0.42 0.04 0.47 0.59 -0.31 0.00 0.00 175.10 176.31 1quf n ASN 13 N 4.01 -1.63 0.25 4.85 3.02 0.61 -4.81 115.26 121.56 1quf n ASN 13 Ca -0.23 -1.08 0.15 0.00 -0.03 0.00 0.00 54.58 53.39 1quf n ASN 13 Cb 0.54 -2.76 0.47 0.00 -0.61 0.00 0.00 39.78 37.42 1quf n ASN 13 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1quf h LEU 14 N -1.94 0.00 -7.66 3.41 -0.00 -1.78 -3.42 115.31 103.92 1quf h LEU 14 Ca -0.65 0.00 -0.38 0.00 -0.00 0.00 0.00 57.88 56.85 1quf h LEU 14 Cb 1.38 0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 41.70 1quf h LEU 14 CO 0.59 0.00 -0.76 -0.31 -0.00 0.00 0.00 178.44 177.96 1quf s TYR 15 N -3.46 0.52 0.34 1.13 2.02 -1.08 -5.01 117.35 111.81 1quf s TYR 15 Ca 0.04 -0.10 0.10 0.00 -0.37 0.00 0.00 57.07 56.74 1quf s TYR 15 Cb 0.07 -0.54 -0.06 0.00 -0.40 0.00 0.00 41.96 41.03 1quf s TYR 15 CO 0.59 -0.17 -0.09 1.03 -1.57 0.00 0.00 175.55 175.34 1quf s ARG 16 N 1.03 1.84 0.41 -0.62 0.52 -1.26 -2.12 118.95 118.75 1quf s ARG 16 Ca -0.10 -1.90 0.22 0.00 -0.52 0.00 0.00 55.73 53.43 1quf s ARG 16 Cb -0.14 -1.74 1.20 0.00 0.52 0.00 0.00 34.95 34.79 1quf s ARG 16 CO -0.01 0.16 1.72 -1.35 0.02 0.00 0.00 175.30 175.84 1quf h PRO 17 N 2.02 0.28 0.00 3.54 0.11 -1.98 -2.26 132.00 133.71 1quf h PRO 17 Ca -0.42 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1quf h PRO 17 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1quf h PRO 17 CO 0.69 0.19 -0.39 -2.95 -0.21 0.00 0.00 178.00 175.33 1quf h ASN 18 N 0.29 0.00 -1.68 -2.05 7.08 -2.02 -3.36 115.58 113.85 1quf h ASN 18 Ca 0.67 0.00 -0.41 0.00 -3.08 0.00 0.00 56.30 53.48 1quf h ASN 18 Cb 1.84 0.00 -0.29 0.00 -2.08 0.00 0.00 38.32 37.79 1quf h ASN 18 CO -0.35 0.39 -0.80 0.00 -2.08 0.00 0.00 177.43 174.59 1quf n ALA 19 N -2.40 0.92 -1.76 4.14 0.00 -0.89 -5.15 120.51 115.38 1quf n ALA 19 Ca -0.01 -2.33 -0.30 0.00 0.00 0.00 0.00 53.44 50.80 1quf n ALA 19 Cb 0.45 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 18.92 1quf n ALA 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1quf s PRO 20 N 0.22 2.50 -0.02 0.00 0.04 -0.99 -4.04 135.00 132.71 1quf s PRO 20 Ca 0.32 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 1quf s PRO 20 Cb 0.06 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1quf s PRO 20 CO -0.14 -1.30 1.05 0.12 0.04 0.00 0.00 177.00 176.76 1quf s PHE 21 N -3.30 3.54 -0.87 0.56 5.36 0.22 -4.81 117.98 118.67 1quf s PHE 21 Ca 0.59 1.56 -0.20 0.00 -0.96 0.00 0.00 56.93 57.92 1quf s PHE 21 Cb -0.12 -3.22 0.10 0.00 -0.34 0.00 0.00 43.02 39.44 1quf s PHE 21 CO 0.52 -0.41 1.14 0.42 -1.46 0.00 0.00 175.22 175.43 1quf s ILE 22 N 1.38 4.49 0.68 3.12 -1.09 -1.26 -0.68 121.20 127.85 1quf s ILE 22 Ca 0.53 -1.13 -0.05 0.00 -2.23 0.00 0.00 60.65 57.78 1quf s ILE 22 Cb -0.22 -4.80 0.07 0.00 -1.58 0.00 0.00 42.46 35.93 1quf s ILE 22 CO 0.25 -1.56 0.97 -0.83 -1.23 0.00 0.00 174.94 172.54 1quf s GLY 23 N 3.85 1.73 -0.07 6.18 0.00 0.29 -4.84 107.32 114.46 1quf s GLY 23 Ca 0.32 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.93 1quf s GLY 23 CO -0.04 -0.71 -0.10 1.25 0.00 0.00 0.00 173.10 173.50 1quf s LYS 24 N -5.15 1.50 0.28 2.90 2.20 -1.19 -0.71 119.74 119.56 1quf s LYS 24 Ca 0.61 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.60 1quf s LYS 24 Cb -0.10 -1.34 -0.11 0.00 -1.51 0.00 0.00 37.83 34.78 1quf s LYS 24 CO 0.44 -0.05 1.52 0.08 -0.36 0.00 0.00 175.35 176.97 1quf s VAL 25 N 0.92 2.34 -0.17 4.02 1.01 -0.65 0.49 120.40 128.36 1quf s VAL 25 Ca -0.10 0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1quf s VAL 25 Cb -0.15 -3.19 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 1quf s VAL 25 CO 0.01 0.05 -0.16 -0.38 0.00 0.00 0.00 175.10 174.61 1quf n ILE 26 N 2.17 0.98 -3.70 2.22 5.41 0.11 -0.90 119.36 125.66 1quf n ILE 26 Ca 0.07 -0.36 -0.14 0.00 1.00 0.00 0.00 62.75 63.33 1quf n ILE 26 Cb 0.39 -1.19 -0.08 0.00 -0.71 0.00 0.00 39.64 38.05 1quf n ILE 26 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1quf s SER 27 N -5.79 -0.28 -0.32 4.38 1.04 -1.23 -4.72 113.70 106.78 1quf s SER 27 Ca -0.23 0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.31 1quf s SER 27 Cb 0.06 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.68 1quf s SER 27 CO 0.38 -0.54 0.17 0.21 0.98 0.00 0.00 173.24 174.44 1quf s ASN 28 N -1.55 3.21 0.02 7.02 3.84 -1.26 -1.41 114.94 124.82 1quf s ASN 28 Ca -0.10 -1.65 0.03 0.00 0.21 0.00 0.00 52.86 51.35 1quf s ASN 28 Cb -0.03 -0.33 -0.04 0.00 -0.55 0.00 0.00 41.25 40.31 1quf s ASN 28 CO 0.03 -0.38 -0.03 -1.61 -2.79 0.00 0.00 177.10 172.32 1quf s GLU 29 N 1.67 2.63 0.11 0.43 0.41 -0.71 -4.90 118.70 118.34 1quf s GLU 29 Ca 0.13 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 53.68 1quf s GLU 29 Cb -0.19 -2.57 -0.06 0.00 -1.78 0.00 0.00 34.13 29.53 1quf s GLU 29 CO -0.21 0.60 1.08 -1.25 -0.49 0.00 0.00 175.26 174.99 1quf s PRO 30 N -1.67 4.57 -0.21 0.39 0.04 -1.26 0.17 135.00 137.02 1quf s PRO 30 Ca 0.20 1.63 0.08 0.00 0.04 0.00 0.00 61.00 62.95 1quf s PRO 30 Cb -0.11 -3.34 -0.21 0.00 0.04 0.00 0.00 34.50 30.87 1quf s PRO 30 CO 0.11 -0.00 -0.01 1.28 0.04 0.00 0.00 177.00 178.42 1quf n LEU 31 N 3.09 1.67 -4.62 -3.56 4.32 0.03 -4.83 117.00 113.09 1quf n LEU 31 Ca 0.05 -0.02 -0.42 0.00 -0.02 0.00 0.00 56.01 55.59 1quf n LEU 31 Cb 0.48 -0.31 -0.04 0.00 -1.62 0.00 0.00 43.42 41.92 1quf n LEU 31 CO 0.53 0.73 0.70 -0.69 -1.22 0.00 0.00 177.39 177.44 1quf s VAL 32 N -2.52 4.73 0.92 4.08 1.01 -1.23 -4.61 120.40 122.78 1quf s VAL 32 Ca -0.22 1.39 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 1quf s VAL 32 Cb 0.08 -4.22 0.19 0.00 0.00 0.00 0.00 36.38 32.43 1quf s VAL 32 CO 0.72 -0.28 1.27 -0.54 0.00 0.00 0.00 175.10 176.27 1quf s LYS 33 N 3.12 0.83 0.21 2.72 -0.14 -0.54 -4.92 119.74 121.02 1quf s LYS 33 Ca 0.36 -0.48 -0.32 0.00 -1.36 0.00 0.00 55.97 54.17 1quf s LYS 33 Cb -0.14 -1.91 -0.12 0.00 -1.68 0.00 0.00 37.83 33.97 1quf s LYS 33 CO 0.12 -2.26 1.67 -0.85 -0.76 0.00 0.00 175.35 173.28 1quf n GLU 34 N -3.63 2.64 -0.10 1.68 0.28 -1.26 -2.41 120.64 117.85 1quf n GLU 34 Ca 0.15 0.95 0.00 0.00 -0.16 0.00 0.00 57.16 58.10 1quf n GLU 34 Cb 0.60 -2.77 0.00 0.00 1.43 0.00 0.00 31.44 30.70 1quf n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1quf n GLY 35 N 3.60 0.63 3.99 -1.84 0.00 -1.26 -4.84 105.19 105.48 1quf n GLY 35 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1quf n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1quf s GLY 36 N -1.29 1.73 -0.40 -0.02 0.00 -1.01 -4.85 107.32 101.48 1quf s GLY 36 Ca 0.00 -1.49 -0.19 0.00 0.00 0.00 0.00 44.72 43.04 1quf s GLY 36 CO 0.00 -1.36 0.55 -0.42 0.00 0.00 0.00 173.10 171.87 1quf s ILE 37 N -2.30 4.95 0.00 0.90 -1.09 -1.26 -4.97 121.20 117.43 1quf s ILE 37 Ca 0.49 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1quf s ILE 37 Cb -0.10 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1quf s ILE 37 CO 0.33 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.24 1quf n GLY 38 N 4.95 -1.63 2.64 6.18 0.00 -1.26 -4.97 105.19 111.09 1quf n GLY 38 Ca -0.04 -2.18 -0.24 0.00 0.00 0.00 0.00 46.02 43.56 1quf n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1quf s ILE 39 N -0.49 -0.12 -0.09 -0.61 1.01 -1.26 -4.87 121.20 114.76 1quf s ILE 39 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1quf s ILE 39 Cb 0.00 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.95 1quf s ILE 39 CO 0.00 -0.23 -0.08 -0.69 0.00 0.00 0.00 174.94 173.95 1quf s VAL 40 N 2.17 0.95 0.17 2.92 1.01 -1.26 -1.80 120.40 124.57 1quf s VAL 40 Ca 0.03 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.83 1quf s VAL 40 Cb -0.16 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1quf s VAL 40 CO -0.09 0.35 -0.16 -1.10 0.00 0.00 0.00 175.10 174.10 1quf s GLN 41 N 1.45 1.83 -0.44 2.72 -1.52 -0.19 -0.79 119.66 122.72 1quf s GLN 41 Ca -0.00 -1.34 -0.09 0.00 -1.95 0.00 0.00 55.36 51.98 1quf s GLN 41 Cb -0.13 -2.05 0.10 0.00 -0.22 0.00 0.00 33.01 30.71 1quf s GLN 41 CO -0.05 0.43 0.30 -1.58 -0.25 0.00 0.00 175.29 174.14 1quf s HIS 42 N -1.59 3.38 -0.17 0.91 5.65 0.13 -1.44 115.29 122.15 1quf s HIS 42 Ca 0.22 -1.69 -0.07 0.00 0.25 0.00 0.00 55.06 53.78 1quf s HIS 42 Cb -0.09 -3.19 -0.04 0.00 -1.18 0.00 0.00 32.58 28.08 1quf s HIS 42 CO 0.12 -0.91 0.04 0.42 -0.65 0.00 0.00 174.74 173.76 1quf s ILE 43 N 1.39 4.60 -0.10 0.89 1.01 -0.75 -1.74 121.20 126.51 1quf s ILE 43 Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1quf s ILE 43 Cb -0.24 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1quf s ILE 43 CO 0.01 0.47 -0.04 -0.75 0.00 0.00 0.00 174.94 174.63 1quf s LYS 44 N 0.32 3.08 -0.05 2.79 2.20 -0.50 -1.20 119.74 126.39 1quf s LYS 44 Ca 0.02 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.18 1quf s LYS 44 Cb -0.13 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1quf s LYS 44 CO 0.01 0.55 -0.21 -0.06 -0.36 0.00 0.00 175.35 175.27 1quf s PHE 45 N -0.48 2.10 0.06 4.03 0.40 0.13 -0.71 117.98 123.52 1quf s PHE 45 Ca 0.08 -0.62 -0.31 0.00 -0.60 0.00 0.00 56.93 55.48 1quf s PHE 45 Cb -0.12 -1.39 -0.06 0.00 0.51 0.00 0.00 43.02 41.96 1quf s PHE 45 CO 0.02 -0.19 1.27 0.34 0.70 0.00 0.00 175.22 177.36 1quf s ASP 46 N -0.07 6.98 0.00 1.36 2.15 0.18 -1.47 116.67 125.80 1quf s ASP 46 Ca -0.04 2.10 0.13 0.00 0.43 0.00 0.00 52.55 55.18 1quf s ASP 46 Cb -0.13 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 39.96 1quf s ASP 46 CO 0.03 -0.55 0.84 0.18 -0.17 0.00 0.00 175.17 175.49 1quf n LEU 47 N 4.14 1.77 -4.77 -1.34 4.32 0.11 -3.19 117.00 118.04 1quf n LEU 47 Ca 0.10 -0.88 -0.40 0.00 -0.02 0.00 0.00 56.01 54.82 1quf n LEU 47 Cb 0.45 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.24 1quf n LEU 47 CO 0.57 0.33 0.94 0.42 -1.22 0.00 0.00 177.39 178.43 1quf s THR 48 N -1.41 2.74 0.00 -5.08 -4.23 -1.22 -2.87 115.64 103.56 1quf s THR 48 Ca 0.13 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1quf s THR 48 Cb 0.11 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1quf s THR 48 CO 0.26 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 1quf n GLY 49 N 0.70 1.48 0.00 3.99 0.00 -1.26 -5.01 105.19 105.09 1quf n GLY 49 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1quf n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1quf n GLY 50 N -1.05 4.39 2.39 -0.02 0.00 -1.14 -5.10 105.19 104.66 1quf n GLY 50 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1quf n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1quf n ASN 51 N -1.44 3.23 -4.57 1.61 2.04 -1.26 -5.02 115.26 109.86 1quf n ASN 51 Ca 0.00 -2.90 -0.42 0.00 -0.44 0.00 0.00 54.58 50.81 1quf n ASN 51 Cb 0.00 -0.41 -0.03 0.00 -2.53 0.00 0.00 39.78 36.81 1quf n ASN 51 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 1quf s LEU 52 N -3.65 3.59 0.08 -4.53 0.20 -1.26 -4.98 118.68 108.13 1quf s LEU 52 Ca 0.39 0.04 0.05 0.00 0.69 0.00 0.00 54.13 55.30 1quf s LEU 52 Cb 0.37 -3.12 -0.04 0.00 -0.43 0.00 0.00 46.19 42.97 1quf s LEU 52 CO -0.00 -1.42 -0.02 -0.54 -0.29 0.00 0.00 176.35 174.08 1quf s LYS 53 N 4.72 2.50 0.17 1.98 3.01 -1.26 -5.04 119.74 125.83 1quf s LYS 53 Ca 0.41 -0.85 -0.11 0.00 -1.01 0.00 0.00 55.97 54.41 1quf s LYS 53 Cb -0.08 -2.51 0.00 0.00 -1.01 0.00 0.00 37.83 34.23 1quf s LYS 53 CO 0.25 0.54 0.35 1.52 0.51 0.00 0.00 175.35 178.52 1quf s TYR 54 N -1.27 0.26 0.48 3.18 1.13 -1.26 -4.57 117.35 115.31 1quf s TYR 54 Ca 0.24 -0.62 0.02 0.00 -1.41 0.00 0.00 57.07 55.30 1quf s TYR 54 Cb -0.12 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 1quf s TYR 54 CO 0.17 -0.77 0.06 -1.50 -2.51 0.00 0.00 175.55 171.00 1quf s ILE 55 N -3.94 0.80 0.15 -3.49 1.10 -1.26 -4.28 121.20 110.28 1quf s ILE 55 Ca 0.15 -2.00 -0.30 0.00 -0.51 0.00 0.00 60.65 57.99 1quf s ILE 55 Cb 0.02 -2.13 -0.07 0.00 0.15 0.00 0.00 42.46 40.43 1quf s ILE 55 CO -0.01 0.00 1.20 -1.61 -2.11 0.00 0.00 174.94 172.42 1quf s GLU 56 N -3.80 4.47 0.00 3.50 8.01 -1.26 -3.18 118.70 126.45 1quf s GLU 56 Ca 0.10 1.86 0.00 0.00 0.01 0.00 0.00 54.97 56.93 1quf s GLU 56 Cb 0.01 -3.27 0.00 0.00 -4.31 0.00 0.00 34.13 26.56 1quf s GLU 56 CO 0.07 -0.14 0.00 0.41 0.01 0.00 0.00 175.26 175.61 1quf n GLY 57 N 2.49 0.84 3.87 -1.39 0.00 -1.25 -4.11 105.19 105.64 1quf n GLY 57 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1quf n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1quf s GLN 58 N -0.72 0.73 0.35 1.61 -0.21 -1.19 -4.30 119.66 115.93 1quf s GLN 58 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.21 1quf s GLN 58 Cb 0.00 -1.84 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 1quf s GLN 58 CO 0.00 -2.39 0.13 -1.12 -2.12 0.00 0.00 175.29 169.79 1quf s SER 59 N -4.64 2.17 0.05 5.90 0.01 0.22 -0.97 113.70 116.45 1quf s SER 59 Ca 0.70 -1.56 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 1quf s SER 59 Cb -0.07 0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.50 1quf s SER 59 CO 0.53 -0.84 0.24 0.27 0.41 0.00 0.00 173.24 173.84 1quf s ILE 60 N -3.40 0.10 0.11 1.44 -4.36 -0.71 -0.71 121.20 113.67 1quf s ILE 60 Ca 0.31 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.86 1quf s ILE 60 Cb 0.05 -1.01 -0.04 0.00 1.25 0.00 0.00 42.46 42.71 1quf s ILE 60 CO 0.16 -0.47 0.25 -0.83 0.24 0.00 0.00 174.94 174.29 1quf s GLY 61 N -2.25 1.95 -0.11 6.27 0.00 -1.25 -1.76 107.32 110.16 1quf s GLY 61 Ca -0.03 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.76 1quf s GLY 61 CO -0.05 -0.92 -0.08 -0.42 0.00 0.00 0.00 173.10 171.63 1quf s ILE 62 N -1.63 1.03 -0.34 0.90 -1.09 -0.90 -1.32 121.20 117.85 1quf s ILE 62 Ca 0.35 -0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 58.30 1quf s ILE 62 Cb -0.12 -1.04 -0.01 0.00 -1.58 0.00 0.00 42.46 39.71 1quf s ILE 62 CO 0.28 0.36 0.40 -0.63 -1.23 0.00 0.00 174.94 174.13 1quf s ILE 63 N 1.55 5.13 0.63 2.92 1.01 -0.67 -1.88 121.20 129.89 1quf s ILE 63 Ca 0.02 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 1quf s ILE 63 Cb -0.13 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1quf s ILE 63 CO -0.06 -0.10 1.04 -2.16 0.00 0.00 0.00 174.94 173.66 1quf s PRO 64 N 2.12 3.33 0.78 2.79 0.04 -1.26 -4.36 135.00 138.44 1quf s PRO 64 Ca 0.14 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.01 1quf s PRO 64 Cb -0.16 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1quf s PRO 64 CO 0.12 -0.79 1.11 -1.25 0.04 0.00 0.00 177.00 176.23 1quf s PRO 65 N -4.75 2.20 0.14 0.56 0.04 -1.26 -4.53 135.00 127.40 1quf s PRO 65 Ca 0.58 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1quf s PRO 65 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1quf s PRO 65 CO 0.48 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1quf n GLY 66 N -2.48 -2.94 3.46 0.56 0.00 -1.26 -4.81 105.19 97.72 1quf n GLY 66 Ca 0.07 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 1quf n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1quf s VAL 67 N -0.73 2.48 0.00 1.61 -7.23 -1.26 -2.18 120.40 113.08 1quf s VAL 67 Ca 0.00 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1quf s VAL 67 Cb 0.00 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1quf s VAL 67 CO 0.00 -0.23 0.00 -0.90 -0.31 0.00 0.00 175.10 173.66 1quf n ASP 68 N -0.10 -0.05 0.08 4.85 5.68 0.32 -4.86 116.55 122.47 1quf n ASP 68 Ca -0.10 -0.19 0.12 0.00 -0.50 0.00 0.00 54.79 54.12 1quf n ASP 68 Cb 0.57 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.01 1quf n ASP 68 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1quf n LYS 69 N -0.24 0.16 0.00 0.11 2.85 -1.26 -3.15 118.16 116.62 1quf n LYS 69 Ca 0.00 0.27 0.12 0.00 -1.05 0.00 0.00 58.31 57.64 1quf n LYS 69 Cb 0.00 -1.74 0.05 0.00 -0.65 0.00 0.00 35.03 32.70 1quf n LYS 69 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1quf n ASN 70 N -2.02 2.55 0.00 -5.58 3.02 -1.26 -4.96 115.26 107.01 1quf n ASN 70 Ca 0.04 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 1quf n ASN 70 Cb 0.30 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 1quf n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1quf n GLY 71 N 1.38 0.63 3.81 7.41 0.00 -1.19 -5.05 105.19 112.19 1quf n GLY 71 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1quf n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1quf s LYS 72 N -0.81 4.28 0.71 1.61 1.02 -1.26 -4.70 119.74 120.58 1quf s LYS 72 Ca 0.00 0.95 -0.16 0.00 0.02 0.00 0.00 55.97 56.78 1quf s LYS 72 Cb 0.00 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1quf s LYS 72 CO 0.00 0.30 0.66 -0.35 -0.92 0.00 0.00 175.35 175.04 1quf n PRO 73 N 0.41 0.38 -2.63 -1.68 -0.04 -1.26 -0.53 135.00 129.66 1quf n PRO 73 Ca 0.00 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.22 1quf n PRO 73 Cb 0.51 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1quf n PRO 73 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1quf s GLU 74 N -2.86 4.55 0.42 0.54 0.41 -0.93 -4.62 118.70 116.21 1quf s GLU 74 Ca 0.68 1.53 -0.04 0.00 -0.41 0.00 0.00 54.97 56.73 1quf s GLU 74 Cb -0.36 -3.41 -0.04 0.00 -1.78 0.00 0.00 34.13 28.54 1quf s GLU 74 CO 0.55 -0.06 0.69 0.21 -0.49 0.00 0.00 175.26 176.16 1quf s LYS 75 N 0.81 3.55 0.87 1.61 2.47 -1.26 -4.51 119.74 123.28 1quf s LYS 75 Ca 0.53 0.04 -0.14 0.00 -1.56 0.00 0.00 55.97 54.84 1quf s LYS 75 Cb -0.24 -2.49 0.01 0.00 -1.46 0.00 0.00 37.83 33.65 1quf s LYS 75 CO 0.29 -0.05 0.45 1.47 0.16 0.00 0.00 175.35 177.67 1quf n LEU 76 N -1.91 0.16 -4.03 5.43 -0.00 -1.26 -4.52 117.00 110.87 1quf n LEU 76 Ca -0.01 0.42 -0.24 0.00 -0.00 0.00 0.00 56.01 56.18 1quf n LEU 76 Cb 0.55 -1.21 -0.16 0.00 -0.00 0.00 0.00 43.42 42.60 1quf n LEU 76 CO 0.51 -3.45 -0.47 -0.13 -0.00 0.00 0.00 177.39 173.85 1quf s ARG 77 N -3.34 1.64 0.18 1.47 3.00 -0.79 -4.93 118.95 116.18 1quf s ARG 77 Ca 0.60 -0.41 -0.23 0.00 0.00 0.00 0.00 55.73 55.68 1quf s ARG 77 Cb -0.26 -1.37 -0.08 0.00 0.00 0.00 0.00 34.95 33.24 1quf s ARG 77 CO 0.64 0.05 0.75 -0.51 0.00 0.00 0.00 175.30 176.23 1quf s LEU 78 N 0.59 4.52 -0.03 2.53 1.43 -1.26 -2.12 118.68 124.34 1quf s LEU 78 Ca -0.13 1.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 1quf s LEU 78 Cb -0.15 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.73 1quf s LEU 78 CO 0.03 0.16 -0.04 -0.31 0.23 0.00 0.00 176.35 176.43 1quf s TYR 79 N -1.25 0.53 0.36 0.29 2.02 -0.72 -4.99 117.35 113.59 1quf s TYR 79 Ca 0.37 -0.11 -0.28 0.00 -0.37 0.00 0.00 57.07 56.69 1quf s TYR 79 Cb -0.21 -0.47 -0.10 0.00 -0.40 0.00 0.00 41.96 40.78 1quf s TYR 79 CO 0.24 -0.11 1.31 -1.12 -1.57 0.00 0.00 175.55 174.30 1quf s SER 80 N 0.59 6.59 0.06 2.29 0.01 -1.26 -1.74 113.70 120.24 1quf s SER 80 Ca -0.07 2.68 -0.31 0.00 1.31 0.00 0.00 55.95 59.57 1quf s SER 80 Cb -0.10 -2.65 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 1quf s SER 80 CO -0.00 -0.66 1.25 -0.63 0.41 0.00 0.00 173.24 173.61 1quf s ILE 81 N -1.19 3.88 -0.88 1.44 1.01 -0.14 -4.41 121.20 120.91 1quf s ILE 81 Ca 0.52 1.34 0.25 0.00 0.00 0.00 0.00 60.65 62.75 1quf s ILE 81 Cb -0.39 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1quf s ILE 81 CO 0.52 0.09 1.40 0.00 0.00 0.00 0.00 174.94 176.95 1quf n ALA 82 N 4.13 3.29 -2.51 9.38 0.00 0.72 -4.02 120.51 131.49 1quf n ALA 82 Ca 0.10 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 1quf n ALA 82 Cb 0.45 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 1quf n ALA 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1quf s SER 83 N -3.40 4.96 1.00 0.00 1.04 -1.23 -4.10 113.70 111.98 1quf s SER 83 Ca 0.09 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.76 1quf s SER 83 Cb 0.16 -0.84 0.17 0.00 0.10 0.00 0.00 66.02 65.61 1quf s SER 83 CO 0.70 -0.32 1.00 0.35 0.98 0.00 0.00 173.24 175.94 1quf n THR 84 N -1.25 0.00 0.24 2.02 -2.24 -1.26 -4.71 114.28 107.08 1quf n THR 84 Ca -0.03 -0.73 0.08 0.00 -2.27 0.00 0.00 64.05 61.10 1quf n THR 84 Cb 0.61 -1.63 0.60 0.00 -2.10 0.00 0.00 70.33 67.80 1quf n THR 84 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1quf h ARG 85 N 0.00 0.00 0.00 -0.78 0.11 -1.86 -2.20 114.38 109.65 1quf h ARG 85 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1quf h ARG 85 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1quf h ARG 85 CO 0.23 0.12 -0.23 0.45 0.10 0.00 0.00 179.97 180.64 1quf h HIS 86 N 0.00 0.00 0.00 4.08 3.86 -1.90 -3.43 115.15 117.76 1quf h HIS 86 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1quf h HIS 86 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1quf h HIS 86 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1quf n GLY 87 N 1.14 0.21 0.20 2.45 0.00 -0.83 0.09 105.19 108.44 1quf n GLY 87 Ca 0.03 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.25 1quf n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1quf h ASP 88 N 0.00 0.00 -0.60 1.61 3.32 -1.87 -2.81 116.42 116.07 1quf h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1quf h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1quf h ASP 88 CO 0.00 0.34 0.00 0.47 -1.72 0.00 0.00 179.24 178.33 1quf n ASP 89 N -3.73 3.72 -3.82 6.45 8.00 -1.26 -4.97 116.55 120.94 1quf n ASP 89 Ca -0.01 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 1quf n ASP 89 Cb 0.43 -0.40 0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1quf n ASP 89 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1quf n VAL 90 N 1.51 -4.21 -0.80 2.53 0.31 -1.06 -4.91 118.33 111.70 1quf n VAL 90 Ca 0.22 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1quf n VAL 90 Cb 0.60 -3.32 0.00 0.00 -0.91 0.00 0.00 33.84 30.21 1quf n VAL 90 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1quf n ASP 91 N -2.40 0.23 -1.58 4.52 5.75 -0.82 -5.00 116.55 117.25 1quf n ASP 91 Ca -0.17 -1.03 -0.18 0.00 -0.01 0.00 0.00 54.79 53.40 1quf n ASP 91 Cb 0.61 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.64 1quf n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1quf n ASP 92 N -0.01 -5.25 -0.00 -1.12 9.92 0.11 -4.87 116.55 115.32 1quf n ASP 92 Ca 0.00 0.34 0.04 0.00 -0.53 0.00 0.00 54.79 54.63 1quf n ASP 92 Cb 0.24 -4.36 -0.05 0.00 -0.64 0.00 0.00 41.12 36.31 1quf n ASP 92 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1quf n LYS 93 N -2.54 2.21 -4.42 -1.24 5.02 -1.26 -4.94 118.16 110.98 1quf n LYS 93 Ca -0.19 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 55.85 1quf n LYS 93 Cb 0.62 -1.02 -0.10 0.00 -0.02 0.00 0.00 35.03 34.51 1quf n LYS 93 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1quf s THR 94 N -2.13 0.95 -0.01 -0.18 -4.23 -1.26 0.07 115.64 108.84 1quf s THR 94 Ca -0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1quf s THR 94 Cb 0.05 -2.70 -0.00 0.00 1.34 0.00 0.00 72.50 71.19 1quf s THR 94 CO 0.30 0.00 0.03 -0.51 -0.54 0.00 0.00 174.62 173.90 1quf s ILE 95 N -3.41 0.03 0.18 2.99 2.07 -0.54 -4.28 121.20 118.23 1quf s ILE 95 Ca 0.35 -0.28 0.07 0.00 -1.41 0.00 0.00 60.65 59.39 1quf s ILE 95 Cb 0.08 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.48 1quf s ILE 95 CO 0.15 -0.15 -0.14 -0.44 -1.91 0.00 0.00 174.94 172.45 1quf s SER 96 N -0.45 2.32 0.06 4.50 0.01 -1.26 0.20 113.70 119.08 1quf s SER 96 Ca -0.05 -0.98 0.02 0.00 1.31 0.00 0.00 55.95 56.25 1quf s SER 96 Cb -0.03 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1quf s SER 96 CO -0.00 -0.19 -0.07 -0.76 0.41 0.00 0.00 173.24 172.63 1quf s LEU 97 N -3.10 2.36 -0.50 2.44 1.43 -0.34 -0.20 118.68 120.76 1quf s LEU 97 Ca 0.19 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1quf s LEU 97 Cb -0.01 -0.09 0.13 0.00 0.03 0.00 0.00 46.19 46.24 1quf s LEU 97 CO 0.05 -0.32 0.24 0.00 0.23 0.00 0.00 176.35 176.54 1quf s VAL 99 N -0.14 4.42 -0.11 0.00 1.01 -0.52 -4.86 120.40 120.20 1quf s VAL 99 Ca 0.16 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 1quf s VAL 99 Cb -0.25 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1quf s VAL 99 CO -0.01 0.39 0.22 -0.60 0.00 0.00 0.00 175.10 175.11 1quf s ARG 100 N 1.10 3.80 -0.43 2.72 3.52 -1.26 -1.02 118.95 127.39 1quf s ARG 100 Ca 0.04 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.37 1quf s ARG 100 Cb -0.14 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 1quf s ARG 100 CO 0.03 0.59 1.47 -1.14 -0.81 0.00 0.00 175.30 175.44 1quf s GLN 101 N -0.56 3.49 0.25 5.12 0.74 -0.74 -4.81 119.66 123.15 1quf s GLN 101 Ca 0.16 0.93 -0.30 0.00 0.05 0.00 0.00 55.36 56.19 1quf s GLN 101 Cb -0.13 -4.07 -0.11 0.00 1.10 0.00 0.00 33.01 29.81 1quf s GLN 101 CO 0.05 -1.67 1.56 -1.17 -0.55 0.00 0.00 175.29 173.51 1quf s LEU 102 N 5.76 4.36 -0.24 3.68 2.96 -1.26 -4.88 118.68 129.05 1quf s LEU 102 Ca 0.63 2.80 -0.19 0.00 -0.22 0.00 0.00 54.13 57.15 1quf s LEU 102 Cb -0.14 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 42.99 1quf s LEU 102 CO 0.32 -0.84 0.63 -0.70 -1.32 0.00 0.00 176.35 174.44 1quf s GLU 103 N -0.03 0.70 -0.15 1.98 2.12 -1.26 -1.27 118.70 120.78 1quf s GLU 103 Ca 0.64 0.98 -0.08 0.00 0.36 0.00 0.00 54.97 56.87 1quf s GLU 103 Cb -0.46 0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.25 1quf s GLU 103 CO 0.42 -0.11 0.37 1.52 -0.54 0.00 0.00 175.26 176.92 1quf s TYR 104 N 0.84 -0.54 -0.39 5.30 1.13 -1.10 -5.00 117.35 117.59 1quf s TYR 104 Ca -0.04 1.17 -0.28 0.00 -1.41 0.00 0.00 57.07 56.51 1quf s TYR 104 Cb -0.05 0.21 0.02 0.00 -1.10 0.00 0.00 41.96 41.04 1quf s TYR 104 CO -0.07 -0.32 1.06 -1.59 -2.51 0.00 0.00 175.55 172.12 1quf s LYS 105 N 1.44 3.87 0.00 -3.49 0.00 -1.26 -1.39 119.74 118.91 1quf s LYS 105 Ca -0.09 0.74 0.00 0.00 0.00 0.00 0.00 55.97 56.62 1quf s LYS 105 Cb -0.09 -3.82 0.00 0.00 0.00 0.00 0.00 37.83 33.92 1quf s LYS 105 CO -0.12 -1.10 0.00 0.72 0.00 0.00 0.00 175.35 174.85 1quf n HIS 106 N 7.22 0.00 0.28 1.78 -0.00 -1.22 -4.88 115.22 118.40 1quf n HIS 106 Ca 0.11 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.96 1quf n HIS 106 Cb 0.48 -0.23 0.30 0.00 -0.00 0.00 0.00 29.99 30.54 1quf n HIS 106 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1quf h PRO 107 N 0.91 0.00 0.00 -0.41 0.13 -1.91 -3.44 132.00 127.28 1quf h PRO 107 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1quf h PRO 107 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1quf h PRO 107 CO 0.00 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 1quf n GLU 108 N -2.98 0.00 -3.82 0.86 -0.00 -1.26 -5.18 120.64 108.26 1quf n GLU 108 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.07 1quf n GLU 108 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.82 1quf n GLU 108 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1quf s SER 109 N -1.72 -0.08 0.00 -1.84 0.01 -1.26 -4.88 113.70 103.93 1quf s SER 109 Ca 0.00 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1quf s SER 109 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1quf s SER 109 CO 0.00 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1quf n GLY 110 N 1.38 1.11 7.00 3.44 0.00 -1.26 -4.98 105.19 111.88 1quf n GLY 110 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1quf n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1quf n GLU 111 N -0.36 0.00 -1.60 1.61 -0.58 -1.26 -4.92 120.64 113.52 1quf n GLU 111 Ca 0.00 0.00 -0.53 0.00 -0.42 0.00 0.00 57.16 56.21 1quf n GLU 111 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 1quf n GLU 111 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1quf n THR 112 N 0.00 0.04 -4.43 2.62 -1.04 -1.26 -3.39 114.28 106.81 1quf n THR 112 Ca 0.00 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1quf n THR 112 Cb 0.00 -0.85 -0.11 0.00 -1.82 0.00 0.00 70.33 67.55 1quf n THR 112 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1quf s VAL 113 N 0.84 3.26 -0.11 12.58 1.01 -0.49 -4.96 120.40 132.54 1quf s VAL 113 Ca 0.86 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1quf s VAL 113 Cb -0.98 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1quf s VAL 113 CO 0.49 0.27 -0.18 -0.31 0.00 0.00 0.00 175.10 175.37 1quf s TYR 114 N -1.06 2.68 0.44 5.22 2.02 -1.26 -2.70 117.35 122.69 1quf s TYR 114 Ca 0.18 -0.78 -0.25 0.00 -0.37 0.00 0.00 57.07 55.85 1quf s TYR 114 Cb -0.11 -1.76 -0.08 0.00 -0.40 0.00 0.00 41.96 39.61 1quf s TYR 114 CO 0.09 -0.27 1.37 0.20 -1.57 0.00 0.00 175.55 175.37 1quf s GLY 115 N 0.25 2.92 0.00 0.71 0.00 -0.40 -4.96 107.32 105.83 1quf s GLY 115 Ca -0.12 1.35 -0.02 0.00 0.00 0.00 0.00 44.72 45.93 1quf s GLY 115 CO 0.07 1.95 0.98 -2.08 0.00 0.00 0.00 173.10 174.01 1quf h VAL 116 N 2.30 0.00 -0.42 1.40 2.07 -1.99 -2.77 116.25 116.84 1quf h VAL 116 Ca -0.50 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1quf h VAL 116 Cb 1.26 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1quf h VAL 116 CO 0.61 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 178.19 1quf h SER 118 N 0.65 0.45 0.23 0.00 4.64 -1.88 -1.00 113.55 116.64 1quf h SER 118 Ca 0.13 -0.17 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 1quf h SER 118 Cb 0.43 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1quf h SER 118 CO 0.02 0.75 -1.09 0.74 -0.87 0.00 0.00 176.83 176.37 1quf h THR 119 N 0.38 1.35 -0.47 2.95 2.02 -1.47 -1.49 112.91 116.18 1quf h THR 119 Ca 0.05 -2.47 0.02 0.00 0.77 0.00 0.00 66.41 64.77 1quf h THR 119 Cb 0.75 2.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.68 1quf h THR 119 CO 0.06 0.75 0.29 0.22 0.37 0.00 0.00 175.52 177.21 1quf h TYR 120 N 0.27 0.55 -0.11 3.16 3.20 -1.32 -2.20 116.97 120.52 1quf h TYR 120 Ca -0.13 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.57 1quf h TYR 120 Cb 1.75 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 39.85 1quf h TYR 120 CO 0.09 0.33 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.22 1quf h LEU 121 N 0.59 0.76 -0.34 2.82 3.38 -1.20 -1.99 115.31 119.33 1quf h LEU 121 Ca 0.18 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1quf h LEU 121 Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1quf h LEU 121 CO -0.07 1.29 0.00 0.35 0.09 0.00 0.00 178.44 180.10 1quf n THR 122 N -4.10 1.00 -0.44 0.22 -2.24 -0.56 -2.49 114.28 105.67 1quf n THR 122 Ca -0.08 0.28 0.04 0.00 -2.27 0.00 0.00 64.05 62.02 1quf n THR 122 Cb 0.68 -1.13 0.05 0.00 -2.10 0.00 0.00 70.33 67.83 1quf n THR 122 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1quf n HIS 123 N -1.82 0.00 -2.36 4.78 8.25 -0.84 -4.97 115.22 118.27 1quf n HIS 123 Ca 0.02 -0.67 -0.40 0.00 -0.26 0.00 0.00 57.72 56.42 1quf n HIS 123 Cb 0.18 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1quf n HIS 123 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1quf s ILE 124 N -1.66 3.25 0.06 1.59 1.10 -0.75 -5.02 121.20 119.77 1quf s ILE 124 Ca 0.12 1.18 0.01 0.00 -0.51 0.00 0.00 60.65 61.45 1quf s ILE 124 Cb 0.10 -3.72 -0.04 0.00 0.15 0.00 0.00 42.46 38.96 1quf s ILE 124 CO 0.01 0.22 0.14 -1.61 -2.11 0.00 0.00 174.94 171.59 1quf s GLU 125 N -1.83 3.15 0.47 3.50 0.41 -1.26 -4.77 118.70 118.37 1quf s GLU 125 Ca 0.50 -0.55 -0.24 0.00 -0.41 0.00 0.00 54.97 54.27 1quf s GLU 125 Cb -0.32 -2.89 -0.08 0.00 -1.78 0.00 0.00 34.13 29.06 1quf s GLU 125 CO 0.42 0.60 1.33 -2.30 -0.49 0.00 0.00 175.26 174.82 1quf n PRO 126 N 0.51 1.92 -0.01 0.39 -0.02 -1.26 -2.33 135.00 134.21 1quf n PRO 126 Ca -0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1quf n PRO 126 Cb 0.52 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1quf n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1quf n GLY 127 N 0.75 0.36 3.78 -1.23 0.00 -0.08 -4.97 105.19 103.80 1quf n GLY 127 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1quf n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1quf s SER 128 N -2.29 7.25 -0.04 1.61 0.01 -0.98 -4.77 113.70 114.49 1quf s SER 128 Ca 0.00 1.92 -0.18 0.00 1.31 0.00 0.00 55.95 59.00 1quf s SER 128 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 1quf s SER 128 CO 0.00 -0.14 0.49 -1.61 0.41 0.00 0.00 173.24 172.40 1quf s GLU 129 N -2.03 4.21 0.08 12.44 2.02 -1.26 -1.64 118.70 132.51 1quf s GLU 129 Ca 0.50 0.53 0.08 0.00 0.02 0.00 0.00 54.97 56.11 1quf s GLU 129 Cb -0.21 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 1quf s GLU 129 CO 0.26 0.40 -0.21 0.08 0.02 0.00 0.00 175.26 175.81 1quf s VAL 130 N -0.22 1.73 -0.41 2.63 1.01 0.11 -4.95 120.40 120.31 1quf s VAL 130 Ca 0.27 -1.41 -0.21 0.00 0.00 0.00 0.00 61.98 60.63 1quf s VAL 130 Cb -0.17 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1quf s VAL 130 CO 0.14 0.07 0.68 -0.54 0.00 0.00 0.00 175.10 175.44 1quf s LYS 131 N -1.59 3.47 -0.13 2.72 3.01 -1.26 -0.55 119.74 125.42 1quf s LYS 131 Ca 0.07 -0.13 0.01 0.00 -1.01 0.00 0.00 55.97 54.92 1quf s LYS 131 Cb -0.09 -3.89 -0.00 0.00 -1.01 0.00 0.00 37.83 32.83 1quf s LYS 131 CO 0.03 -0.92 -0.18 0.42 0.51 0.00 0.00 175.35 175.21 1quf s ILE 132 N 2.89 2.56 0.00 2.17 1.01 0.14 -1.66 121.20 128.30 1quf s ILE 132 Ca 0.25 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1quf s ILE 132 Cb -0.14 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1quf s ILE 132 CO 0.18 0.54 0.00 0.35 0.00 0.00 0.00 174.94 176.01 1quf n THR 133 N 3.70 0.00 -2.02 2.92 -2.24 -0.44 -0.61 114.28 115.59 1quf n THR 133 Ca -0.19 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1quf n THR 133 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1quf n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1quf n GLY 134 N 5.00 -1.93 3.78 3.38 0.00 -0.90 -3.88 105.19 110.64 1quf n GLY 134 Ca 0.00 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 1quf n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1quf s PRO 135 N -0.95 2.77 0.02 1.61 0.04 -1.26 -2.61 135.00 134.61 1quf s PRO 135 Ca 0.00 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.31 1quf s PRO 135 Cb 0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1quf s PRO 135 CO 0.00 -1.25 -0.09 0.08 0.04 0.00 0.00 177.00 175.77 1quf s VAL 136 N -2.60 0.72 0.00 -0.36 1.01 0.11 -0.28 120.40 119.01 1quf s VAL 136 Ca 0.64 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1quf s VAL 136 Cb -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1quf s VAL 136 CO 0.46 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1quf n GLY 137 N 2.35 2.23 0.00 4.51 0.00 -1.26 -0.61 105.19 112.41 1quf n GLY 137 Ca -0.16 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1quf n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1quf n LYS 138 N 2.26 1.54 0.06 1.61 5.02 -1.26 -4.71 118.16 122.68 1quf n LYS 138 Ca 0.00 -1.01 0.11 0.00 -2.02 0.00 0.00 58.31 55.39 1quf n LYS 138 Cb 0.00 -0.76 -0.02 0.00 -0.02 0.00 0.00 35.03 34.23 1quf n LYS 138 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1quf n GLU 139 N -0.26 0.51 -0.87 1.97 4.07 -1.26 -4.43 120.64 120.36 1quf n GLU 139 Ca 0.00 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1quf n GLU 139 Cb 0.36 -1.69 0.17 0.00 -0.06 0.00 0.00 31.44 30.22 1quf n GLU 139 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1quf n MET 140 N -2.36 1.98 -2.84 5.31 2.81 -1.26 -4.54 117.12 116.22 1quf n MET 140 Ca -0.00 -3.47 -0.38 0.00 -1.81 0.00 0.00 57.70 52.04 1quf n MET 140 Cb 0.52 -1.75 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 1quf n MET 140 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1quf s LEU 141 N -3.31 4.49 -0.02 4.03 1.43 -1.26 -3.93 118.68 120.11 1quf s LEU 141 Ca 0.41 1.80 -0.24 0.00 -1.03 0.00 0.00 54.13 55.07 1quf s LEU 141 Cb 0.38 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1quf s LEU 141 CO -0.05 0.07 0.73 -0.22 0.23 0.00 0.00 176.35 177.11 1quf s LEU 142 N -1.59 4.38 0.53 1.79 2.96 -1.26 -5.03 118.68 120.45 1quf s LEU 142 Ca 0.44 1.30 -0.22 0.00 -0.22 0.00 0.00 54.13 55.42 1quf s LEU 142 Cb -0.22 -3.14 -0.06 0.00 0.50 0.00 0.00 46.19 43.28 1quf s LEU 142 CO 0.27 -0.06 1.39 -0.81 -1.32 0.00 0.00 176.35 175.82 1quf n PRO 143 N 3.34 1.83 0.21 0.98 -0.04 -1.26 -4.89 135.00 135.17 1quf n PRO 143 Ca -0.02 0.67 0.15 0.00 -0.04 0.00 0.00 63.50 64.26 1quf n PRO 143 Cb 0.51 -2.60 0.60 0.00 -0.04 0.00 0.00 33.50 31.97 1quf n PRO 143 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1quf h ASP 144 N 1.62 0.00 -2.99 3.54 3.32 -2.00 -3.43 116.42 116.47 1quf h ASP 144 Ca -0.51 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 55.97 1quf h ASP 144 Cb 1.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.81 1quf h ASP 144 CO 0.58 0.00 1.12 -0.62 -1.72 0.00 0.00 179.24 178.60 1quf s ASP 145 N -4.98 6.29 0.55 6.45 -1.08 -1.26 -4.88 116.67 117.76 1quf s ASP 145 Ca 0.02 1.19 0.36 0.00 -0.52 0.00 0.00 52.55 53.60 1quf s ASP 145 Cb 0.09 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.64 1quf s ASP 145 CO 0.47 -1.40 2.06 1.55 0.52 0.00 0.00 175.17 178.37 1quf h PRO 146 N 11.00 0.00 -0.45 4.34 0.13 -1.88 -2.68 132.00 142.46 1quf h PRO 146 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1quf h PRO 146 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1quf h PRO 146 CO 1.04 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.20 1quf n GLU 147 N -2.99 2.15 -2.13 0.86 1.02 -1.26 -0.22 120.64 118.07 1quf n GLU 147 Ca -0.00 -1.78 -0.32 0.00 -0.02 0.00 0.00 57.16 55.04 1quf n GLU 147 Cb 0.23 -1.41 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1quf n GLU 147 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1quf s ALA 148 N -1.41 3.02 0.01 0.62 0.00 -1.01 -4.47 121.76 118.52 1quf s ALA 148 Ca 0.34 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 1quf s ALA 148 Cb 0.18 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1quf s ALA 148 CO 0.25 -0.51 0.17 -0.80 0.00 0.00 0.00 175.76 174.87 1quf s ASN 149 N -3.46 6.24 -0.11 0.00 0.01 -1.19 -3.79 114.94 112.64 1quf s ASN 149 Ca 0.58 0.29 -0.04 0.00 -0.71 0.00 0.00 52.86 52.99 1quf s ASN 149 Cb -0.11 -1.92 0.05 0.00 0.41 0.00 0.00 41.25 39.68 1quf s ASN 149 CO 0.41 0.24 0.14 0.54 -1.51 0.00 0.00 177.10 176.92 1quf s VAL 150 N -1.35 -0.22 -0.30 1.60 0.11 -0.05 -0.99 120.40 119.21 1quf s VAL 150 Ca 0.28 0.19 -0.17 0.00 -2.93 0.00 0.00 61.98 59.35 1quf s VAL 150 Cb -0.13 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1quf s VAL 150 CO 0.20 0.01 0.48 -0.63 -3.33 0.00 0.00 175.10 171.84 1quf s ILE 151 N 2.25 5.07 -0.30 7.04 1.01 0.09 -1.26 121.20 135.10 1quf s ILE 151 Ca 0.04 0.59 -0.07 0.00 0.00 0.00 0.00 60.65 61.22 1quf s ILE 151 Cb -0.13 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1quf s ILE 151 CO -0.07 -0.02 0.08 -0.04 0.00 0.00 0.00 174.94 174.89 1quf s MET 152 N 2.30 3.03 -0.56 2.79 -1.94 0.19 0.55 119.30 125.65 1quf s MET 152 Ca 0.19 -0.90 -0.05 0.00 -1.71 0.00 0.00 55.69 53.22 1quf s MET 152 Cb -0.16 -3.39 0.15 0.00 2.01 0.00 0.00 34.83 33.44 1quf s MET 152 CO 0.11 -0.47 0.39 -0.51 -0.01 0.00 0.00 175.02 174.53 1quf s LEU 153 N 1.49 5.44 0.16 -0.03 1.43 0.18 -0.99 118.68 126.35 1quf s LEU 153 Ca 0.02 -2.49 0.09 0.00 -1.03 0.00 0.00 54.13 50.73 1quf s LEU 153 Cb -0.17 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1quf s LEU 153 CO 0.03 -0.48 -0.15 0.00 0.23 0.00 0.00 176.35 175.98 1quf s ALA 154 N 0.48 2.79 -0.03 4.21 0.00 -0.44 -1.91 121.76 126.86 1quf s ALA 154 Ca 0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1quf s ALA 154 Cb -0.21 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.30 1quf s ALA 154 CO -0.04 0.50 0.03 0.95 0.00 0.00 0.00 175.76 177.21 1quf s THR 155 N -1.53 0.00 0.00 0.00 -4.23 -0.92 -0.99 115.64 107.97 1quf s THR 155 Ca 0.22 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1quf s THR 155 Cb -0.09 -0.18 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1quf s THR 155 CO 0.13 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 1quf n GLY 156 N 4.71 3.98 0.04 3.99 0.00 -1.23 -1.81 105.19 114.87 1quf n GLY 156 Ca -0.16 0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1quf n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1quf n THR 157 N 0.00 0.94 1.03 2.61 -2.24 -1.26 -2.31 114.28 113.05 1quf n THR 157 Ca 0.00 0.24 0.03 0.00 -2.27 0.00 0.00 64.05 62.05 1quf n THR 157 Cb 0.00 -1.04 0.17 0.00 -2.10 0.00 0.00 70.33 67.36 1quf n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1quf n GLY 158 N 0.02 -0.52 0.12 3.38 0.00 -0.75 -1.60 105.19 105.84 1quf n GLY 158 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1quf n GLY 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1quf h ILE 159 N 0.00 0.99 -0.62 -0.61 6.09 -1.67 -3.39 117.51 118.30 1quf h ILE 159 Ca 0.00 -2.42 0.07 0.00 -1.37 0.00 0.00 64.86 61.14 1quf h ILE 159 Cb 0.00 2.48 -0.10 0.00 0.47 0.00 0.00 36.82 39.67 1quf h ILE 159 CO 0.00 0.57 -0.54 0.00 -3.07 0.00 0.00 178.15 175.10 1quf h ALA 160 N 1.40 -0.62 0.00 0.18 0.00 -1.56 -0.43 119.26 118.23 1quf h ALA 160 Ca -0.02 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1quf h ALA 160 Cb 1.47 1.17 -0.01 0.00 0.00 0.00 0.00 17.79 20.43 1quf h ALA 160 CO 0.08 -0.98 -0.22 -1.00 0.00 0.00 0.00 179.25 177.12 1quf h PRO 161 N -0.25 0.00 -0.20 0.00 0.13 -1.75 -2.73 132.00 127.19 1quf h PRO 161 Ca 0.12 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 1quf h PRO 161 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1quf h PRO 161 CO -0.72 0.22 -0.37 0.52 -0.23 0.00 0.00 178.00 177.42 1quf h MET 162 N 0.00 0.44 -0.53 0.86 2.86 -1.37 -2.62 114.93 114.57 1quf h MET 162 Ca -0.00 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1quf h MET 162 Cb 0.61 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1quf h MET 162 CO 0.03 0.75 0.06 -0.09 1.06 0.00 0.00 176.91 178.72 1quf h ARG 163 N 0.37 0.86 -0.46 1.72 2.43 -0.84 -0.26 114.38 118.20 1quf h ARG 163 Ca 0.04 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1quf h ARG 163 Cb 0.82 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 1quf h ARG 163 CO 0.07 0.82 -0.11 1.79 -1.51 0.00 0.00 179.97 181.03 1quf h THR 164 N 0.81 1.26 0.22 0.20 1.35 -1.33 -0.40 112.91 115.01 1quf h THR 164 Ca 0.16 -1.19 -0.01 0.00 -0.55 0.00 0.00 66.41 64.82 1quf h THR 164 Cb 0.40 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1quf h THR 164 CO 0.01 0.41 -0.10 1.88 -0.25 0.00 0.00 175.52 177.47 1quf h TYR 165 N 0.76 -0.27 -0.65 4.73 0.05 -1.26 -2.36 116.97 117.97 1quf h TYR 165 Ca 0.13 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.97 1quf h TYR 165 Cb 0.61 0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.38 1quf h TYR 165 CO 0.03 0.12 0.34 -0.07 -1.05 0.00 0.00 178.16 177.53 1quf h LEU 166 N -0.82 0.47 -0.35 3.88 3.38 -1.01 0.81 115.31 121.67 1quf h LEU 166 Ca -0.03 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1quf h LEU 166 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1quf h LEU 166 CO 0.05 0.30 -0.07 -0.50 0.09 0.00 0.00 178.44 178.30 1quf h TRP 167 N 0.61 0.74 -0.53 1.13 -0.00 -1.15 0.61 115.95 117.36 1quf h TRP 167 Ca 0.30 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.89 59.02 1quf h TRP 167 Cb 0.24 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.16 29.19 1quf h TRP 167 CO -0.10 0.81 0.27 -0.09 -0.00 0.00 0.00 178.44 179.33 1quf h ARG 168 N 0.45 0.74 0.24 0.49 2.43 -1.01 -0.46 114.38 117.26 1quf h ARG 168 Ca 0.09 -0.08 -0.34 0.00 -0.81 0.00 0.00 59.98 58.84 1quf h ARG 168 Cb 0.57 -0.15 0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1quf h ARG 168 CO 0.03 0.57 -1.53 0.52 -1.51 0.00 0.00 179.97 178.05 1quf h MET 169 N 0.74 0.52 -0.00 0.20 2.86 -0.53 -3.39 114.93 115.33 1quf h MET 169 Ca 0.19 -0.88 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 1quf h MET 169 Cb 0.06 0.33 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1quf h MET 169 CO -0.03 1.42 -0.21 1.19 1.06 0.00 0.00 176.91 180.35 1quf n PHE 170 N -3.70 0.00 -2.54 -0.22 3.72 0.21 -4.48 117.46 110.45 1quf n PHE 170 Ca -0.18 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.80 1quf n PHE 170 Cb 1.10 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.60 1quf n PHE 170 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1quf s LYS 171 N -1.41 4.55 0.31 -1.08 -0.14 -0.19 -4.92 119.74 116.85 1quf s LYS 171 Ca 0.02 1.65 0.06 0.00 -1.36 0.00 0.00 55.97 56.34 1quf s LYS 171 Cb 0.03 -3.34 0.72 0.00 -1.68 0.00 0.00 37.83 33.56 1quf s LYS 171 CO 0.18 -0.03 1.80 -0.44 -0.76 0.00 0.00 175.35 176.10 1quf h ASP 172 N 5.96 0.80 0.89 2.83 3.32 -1.95 -1.06 116.42 127.20 1quf h ASP 172 Ca -0.43 0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.58 1quf h ASP 172 Cb 1.21 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1quf h ASP 172 CO 0.75 0.32 -0.57 0.00 -1.72 0.00 0.00 179.24 178.03 1quf h ALA 173 N 1.62 0.84 -0.05 3.45 0.00 -1.94 -2.21 119.26 120.97 1quf h ALA 173 Ca 0.55 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1quf h ALA 173 Cb 0.82 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.54 1quf h ALA 173 CO -0.34 0.71 -0.84 0.93 0.00 0.00 0.00 179.25 179.71 1quf h GLU 174 N 0.00 0.66 -0.52 0.00 4.39 -1.59 -2.36 114.58 115.17 1quf h GLU 174 Ca -0.01 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1quf h GLU 174 Cb 1.17 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1quf h GLU 174 CO 0.07 1.24 0.33 0.00 -1.16 0.00 0.00 179.01 179.49 1quf h ARG 175 N 0.32 0.70 0.00 2.33 3.08 -1.10 0.25 114.38 119.94 1quf h ARG 175 Ca -0.09 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1quf h ARG 175 Cb 1.49 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1quf h ARG 175 CO 0.17 0.49 -0.24 0.00 -1.07 0.00 0.00 179.97 179.31 1quf h ALA 176 N 1.17 1.21 0.00 0.04 0.00 -1.45 -2.28 119.26 117.95 1quf h ALA 176 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1quf h ALA 176 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1quf h ALA 176 CO -0.04 0.30 -0.38 0.00 0.00 0.00 0.00 179.25 179.13 1quf n ALA 177 N -2.32 2.72 -3.69 0.00 0.00 -0.63 -4.53 120.51 112.06 1quf n ALA 177 Ca -0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 1quf n ALA 177 Cb 0.36 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.41 1quf n ALA 177 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1quf s ASN 178 N -4.20 3.44 0.50 0.00 0.01 -0.02 -4.92 114.94 109.74 1quf s ASN 178 Ca 0.08 -3.11 0.28 0.00 -0.71 0.00 0.00 52.86 49.41 1quf s ASN 178 Cb 0.13 -1.07 1.18 0.00 0.41 0.00 0.00 41.25 41.91 1quf s ASN 178 CO 0.67 -0.19 1.93 1.55 -1.51 0.00 0.00 177.10 179.55 1quf h PRO 179 N 6.06 0.00 0.00 -0.60 0.13 -1.80 -2.83 132.00 132.96 1quf h PRO 179 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1quf h PRO 179 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1quf h PRO 179 CO 0.53 0.12 -0.36 0.93 -0.23 0.00 0.00 178.00 178.99 1quf h GLU 180 N 0.00 0.00 -3.64 0.86 5.08 -1.91 -3.40 114.58 111.57 1quf h GLU 180 Ca -0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1quf h GLU 180 Cb 0.60 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.44 1quf h GLU 180 CO 0.02 0.36 -0.71 -0.47 -1.00 0.00 0.00 179.01 177.21 1quf s TYR 181 N -3.47 2.69 -0.65 4.33 5.04 -1.07 -4.83 117.35 119.39 1quf s TYR 181 Ca 0.01 -2.63 0.06 0.00 -2.44 0.00 0.00 57.07 52.07 1quf s TYR 181 Cb 0.10 -2.36 0.23 0.00 0.35 0.00 0.00 41.96 40.28 1quf s TYR 181 CO 0.69 -0.83 0.68 0.94 -1.34 0.00 0.00 175.55 175.68 1quf n GLN 182 N 3.88 2.33 -1.19 4.97 -0.06 -1.26 -4.83 117.38 121.22 1quf n GLN 182 Ca 0.04 -4.61 -0.48 0.00 -2.00 0.00 0.00 57.00 49.96 1quf n GLN 182 Cb 0.37 -2.25 -0.07 0.00 -4.06 0.00 0.00 30.24 24.23 1quf n GLN 182 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1quf n PHE 183 N 1.14 1.18 0.14 3.69 7.35 -1.26 -4.89 117.46 124.81 1quf n PHE 183 Ca 0.27 0.77 0.02 0.00 -0.76 0.00 0.00 57.45 57.75 1quf n PHE 183 Cb 0.40 -1.60 -0.00 0.00 0.35 0.00 0.00 39.48 38.62 1quf n PHE 183 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1quf n LYS 184 N 3.31 3.22 0.00 -4.13 4.76 0.69 -5.02 118.16 120.99 1quf n LYS 184 Ca 0.25 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1quf n LYS 184 Cb -0.04 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1quf n LYS 184 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1quf n GLY 185 N 0.69 0.49 2.98 0.72 0.00 -0.73 -4.87 105.19 104.47 1quf n GLY 185 Ca 0.01 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 1quf n GLY 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1quf s PHE 186 N 0.34 1.46 -0.04 1.61 5.36 -1.25 -4.57 117.98 120.90 1quf s PHE 186 Ca 0.00 -0.61 0.06 0.00 -0.96 0.00 0.00 56.93 55.41 1quf s PHE 186 Cb 0.00 -1.13 -0.02 0.00 -0.34 0.00 0.00 43.02 41.53 1quf s PHE 186 CO 0.00 -0.37 -0.21 -1.54 -1.46 0.00 0.00 175.22 171.64 1quf s SER 187 N 1.06 3.46 -0.17 6.13 1.04 0.81 -0.87 113.70 125.15 1quf s SER 187 Ca -0.07 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 1quf s SER 187 Cb -0.15 -0.65 0.05 0.00 0.10 0.00 0.00 66.02 65.38 1quf s SER 187 CO -0.01 0.31 -0.01 0.86 0.98 0.00 0.00 173.24 175.38 1quf s TRP 188 N -0.56 1.35 -0.23 5.02 -0.11 -0.39 -1.23 118.94 122.80 1quf s TRP 188 Ca 0.08 -0.94 -0.09 0.00 1.22 0.00 0.00 56.10 56.36 1quf s TRP 188 Cb -0.11 -1.15 -0.05 0.00 -1.50 0.00 0.00 33.47 30.66 1quf s TRP 188 CO 0.00 -0.59 0.13 -1.17 -4.62 0.00 0.00 176.95 170.70 1quf s LEU 189 N 1.75 3.97 -0.39 5.86 2.96 -0.59 -0.64 118.68 131.60 1quf s LEU 189 Ca -0.00 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1quf s LEU 189 Cb -0.16 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.58 1quf s LEU 189 CO -0.07 0.07 0.17 -0.69 -1.32 0.00 0.00 176.35 174.51 1quf s VAL 190 N 1.00 3.20 -0.25 1.68 1.01 -0.16 0.10 120.40 126.98 1quf s VAL 190 Ca 0.06 -1.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.02 1quf s VAL 190 Cb -0.14 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1quf s VAL 190 CO 0.04 -0.60 0.02 0.12 0.00 0.00 0.00 175.10 174.67 1quf s PHE 191 N 1.15 3.04 -0.47 5.22 5.36 0.20 -1.33 117.98 131.15 1quf s PHE 191 Ca 0.07 -0.83 -0.10 0.00 -0.96 0.00 0.00 56.93 55.10 1quf s PHE 191 Cb -0.22 -2.18 0.11 0.00 -0.34 0.00 0.00 43.02 40.40 1quf s PHE 191 CO -0.04 -0.51 0.35 0.20 -1.46 0.00 0.00 175.22 173.77 1quf s GLY 192 N 1.51 2.03 0.25 13.12 0.00 -0.16 -1.33 107.32 122.75 1quf s GLY 192 Ca 0.05 -2.47 0.12 0.00 0.00 0.00 0.00 44.72 42.42 1quf s GLY 192 CO -0.00 1.10 -0.21 -1.34 0.00 0.00 0.00 173.10 172.65 1quf s VAL 193 N 1.41 2.47 0.22 1.40 -7.23 -0.94 -3.49 120.40 114.25 1quf s VAL 193 Ca 0.05 -2.26 0.01 0.00 -1.81 0.00 0.00 61.98 57.97 1quf s VAL 193 Cb -0.26 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1quf s VAL 193 CO 0.00 -0.30 1.56 1.55 -0.31 0.00 0.00 175.10 177.60 1quf h PRO 194 N 2.58 0.40 -4.94 4.82 0.13 -1.89 -2.63 132.00 130.48 1quf h PRO 194 Ca -0.42 -0.25 -0.49 0.00 -0.87 0.00 0.00 66.00 63.98 1quf h PRO 194 Cb 1.24 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 1quf h PRO 194 CO 0.56 0.84 -0.51 0.95 -0.23 0.00 0.00 178.00 179.60 1quf s THR 195 N -3.94 0.27 0.13 1.56 -4.23 -1.26 -0.29 115.64 107.88 1quf s THR 195 Ca -0.06 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.35 1quf s THR 195 Cb 0.12 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.43 1quf s THR 195 CO 0.81 0.00 1.41 0.74 -0.54 0.00 0.00 174.62 177.05 1quf h THR 196 N 2.04 1.28 0.00 3.99 2.02 -1.93 -2.81 112.91 117.49 1quf h THR 196 Ca -0.30 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.12 1quf h THR 196 Cb 1.25 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1quf h THR 196 CO 0.47 0.57 0.00 -0.81 0.37 0.00 0.00 175.52 176.12 1quf n PRO 197 N -3.99 0.18 0.00 6.66 -0.04 -1.26 -1.29 135.00 135.25 1quf n PRO 197 Ca -0.04 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 1quf n PRO 197 Cb 0.64 -1.91 0.60 0.00 -0.04 0.00 0.00 33.50 32.79 1quf n PRO 197 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1quf n ASN 198 N -2.26 0.90 -4.55 3.54 4.13 -1.06 -1.47 115.26 114.48 1quf n ASN 198 Ca 0.01 -1.09 -0.40 0.00 1.68 0.00 0.00 54.58 54.78 1quf n ASN 198 Cb 0.16 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.37 1quf n ASN 198 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1quf s ILE 199 N -2.19 3.56 0.12 2.41 1.01 -0.41 -4.85 121.20 120.85 1quf s ILE 199 Ca 0.36 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.96 1quf s ILE 199 Cb 0.21 -4.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 1quf s ILE 199 CO 0.40 -1.44 1.50 -0.76 0.00 0.00 0.00 174.94 174.64 1quf s LEU 200 N 7.24 4.37 -1.39 2.97 1.43 -1.26 -2.66 118.68 129.36 1quf s LEU 200 Ca 0.50 2.44 -0.02 0.00 -1.03 0.00 0.00 54.13 56.03 1quf s LEU 200 Cb -0.10 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.54 1quf s LEU 200 CO 0.16 -0.76 0.21 -1.22 0.23 0.00 0.00 176.35 174.98 1quf n TYR 201 N 4.31 -1.16 -0.12 0.29 4.01 -1.26 -4.94 117.16 118.30 1quf n TYR 201 Ca 0.13 0.18 -0.05 0.00 -0.16 0.00 0.00 57.90 58.01 1quf n TYR 201 Cb 0.41 -3.64 0.02 0.00 -0.31 0.00 0.00 39.34 35.82 1quf n TYR 201 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1quf h LYS 202 N -0.48 0.10 -0.15 -0.72 3.64 -1.89 0.77 116.57 117.83 1quf h LYS 202 Ca -0.42 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1quf h LYS 202 Cb 1.30 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1quf h LYS 202 CO 0.48 0.06 -0.06 0.93 -2.27 0.00 0.00 179.45 178.59 1quf h GLU 203 N 0.10 -0.04 -0.08 1.90 3.07 -1.92 0.01 114.58 117.63 1quf h GLU 203 Ca 0.19 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.90 1quf h GLU 203 Cb 0.27 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1quf h GLU 203 CO -0.32 -0.03 -0.64 0.93 -1.40 0.00 0.00 179.01 177.55 1quf h GLU 204 N -0.04 0.30 -0.15 2.33 5.08 -1.92 -0.92 114.58 119.26 1quf h GLU 204 Ca 0.08 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1quf h GLU 204 Cb 0.16 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1quf h GLU 204 CO -0.18 0.84 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.53 1quf h LEU 205 N 0.21 0.32 -1.25 1.33 4.07 -0.69 -2.51 115.31 116.80 1quf h LEU 205 Ca -0.01 -0.40 -0.08 0.00 0.08 0.00 0.00 57.88 57.47 1quf h LEU 205 Cb 1.17 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1quf h LEU 205 CO 0.10 0.65 -0.36 -0.33 -1.08 0.00 0.00 178.44 177.42 1quf h GLU 206 N -0.02 0.00 0.00 1.13 5.08 -0.96 -1.89 114.58 117.93 1quf h GLU 206 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1quf h GLU 206 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1quf h GLU 206 CO 0.02 0.36 -0.30 1.05 -1.00 0.00 0.00 179.01 179.15 1quf h GLU 207 N 0.00 0.00 0.06 2.33 4.11 -1.13 -2.15 114.58 117.80 1quf h GLU 207 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1quf h GLU 207 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1quf h GLU 207 CO 0.05 0.00 -0.50 0.82 0.07 0.00 0.00 179.01 179.45 1quf h ILE 208 N 0.00 1.57 0.00 -1.06 2.04 -1.09 -2.65 117.51 116.31 1quf h ILE 208 Ca 0.00 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.54 1quf h ILE 208 Cb 0.80 3.06 -0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1quf h ILE 208 CO 0.00 0.64 -0.05 -0.61 0.00 0.00 0.00 178.15 178.13 1quf h GLN 209 N -0.48 0.00 0.18 2.37 4.15 -1.29 0.45 115.11 120.48 1quf h GLN 209 Ca -0.08 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.06 1quf h GLN 209 Cb 1.33 0.00 0.02 0.00 0.21 0.00 0.00 27.48 29.04 1quf h GLN 209 CO 0.10 0.05 -1.28 1.96 -1.93 0.00 0.00 178.83 177.73 1quf h GLN 210 N 0.00 0.38 -0.20 1.69 1.08 -1.39 -3.07 115.11 113.61 1quf h GLN 210 Ca -0.00 -0.64 -0.14 0.00 -1.45 0.00 0.00 58.65 56.41 1quf h GLN 210 Cb 0.19 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 1quf h GLN 210 CO 0.01 1.31 -0.47 0.87 -0.95 0.00 0.00 178.83 179.59 1quf h LYS 211 N -0.13 0.51 -2.19 1.46 1.57 -1.23 -3.37 116.57 113.19 1quf h LYS 211 Ca -0.24 -0.29 -0.58 0.00 -1.87 0.00 0.00 60.65 57.67 1quf h LYS 211 Cb 1.89 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 33.81 1quf h LYS 211 CO 0.17 0.88 -0.74 0.66 -0.57 0.00 0.00 179.45 179.85 1quf n TYR 212 N -3.99 3.00 -0.26 -1.35 4.01 0.13 -4.95 117.16 113.75 1quf n TYR 212 Ca -0.02 -3.99 0.03 0.00 -0.16 0.00 0.00 57.90 53.76 1quf n TYR 212 Cb 0.55 -0.49 0.16 0.00 -0.31 0.00 0.00 39.34 39.26 1quf n TYR 212 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1quf h PRO 213 N 3.51 0.56 0.00 -0.72 0.11 -1.72 -0.05 132.00 133.68 1quf h PRO 213 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1quf h PRO 213 Cb 0.65 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1quf h PRO 213 CO 0.75 0.37 -0.16 -0.25 -0.21 0.00 0.00 178.00 178.50 1quf n ASP 214 N -4.89 0.43 -0.01 -2.05 8.00 -1.26 -4.00 116.55 112.76 1quf n ASP 214 Ca 0.13 0.37 0.06 0.00 0.71 0.00 0.00 54.79 56.06 1quf n ASP 214 Cb 0.33 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.94 1quf n ASP 214 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1quf n ASN 215 N -1.83 2.05 -3.68 -2.24 4.13 -0.81 -4.82 115.26 108.06 1quf n ASN 215 Ca 0.06 -0.07 -0.17 0.00 1.68 0.00 0.00 54.58 56.08 1quf n ASN 215 Cb 0.38 1.51 -0.16 0.00 -1.54 0.00 0.00 39.78 39.97 1quf n ASN 215 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1quf s PHE 216 N -2.79 -0.10 -0.05 3.10 5.36 -0.10 -0.13 117.98 123.27 1quf s PHE 216 Ca -0.04 0.47 0.03 0.00 -0.96 0.00 0.00 56.93 56.43 1quf s PHE 216 Cb 0.08 -0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.44 1quf s PHE 216 CO 0.51 -0.22 -0.13 0.50 -1.46 0.00 0.00 175.22 174.41 1quf s ARG 217 N 2.04 2.56 -0.15 10.12 3.52 -0.37 -4.57 118.95 132.11 1quf s ARG 217 Ca 0.01 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1quf s ARG 217 Cb -0.12 -2.42 0.02 0.00 -1.56 0.00 0.00 34.95 30.87 1quf s ARG 217 CO -0.05 0.62 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.73 1quf s LEU 218 N -0.72 1.85 -0.05 -0.88 2.96 -1.26 -1.54 118.68 119.04 1quf s LEU 218 Ca 0.11 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1quf s LEU 218 Cb -0.11 -1.27 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 1quf s LEU 218 CO 0.01 -0.01 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.95 1quf s THR 219 N 1.28 1.51 0.10 3.68 2.01 0.11 -4.99 115.64 119.35 1quf s THR 219 Ca 0.02 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.35 1quf s THR 219 Cb -0.14 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1quf s THR 219 CO -0.09 0.43 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.76 1quf s TYR 220 N 0.09 2.47 -0.35 4.92 2.02 -1.26 -0.63 117.35 124.60 1quf s TYR 220 Ca -0.06 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1quf s TYR 220 Cb -0.12 -1.35 0.11 0.00 -0.40 0.00 0.00 41.96 40.19 1quf s TYR 220 CO 0.03 0.33 0.11 0.00 -1.57 0.00 0.00 175.55 174.45 1quf s ALA 221 N -1.05 2.20 -0.42 3.71 0.00 -0.44 -4.90 121.76 120.86 1quf s ALA 221 Ca 0.16 -2.20 -0.14 0.00 0.00 0.00 0.00 51.96 49.78 1quf s ALA 221 Cb -0.10 -1.81 0.04 0.00 0.00 0.00 0.00 23.12 21.24 1quf s ALA 221 CO 0.08 -1.76 0.30 0.42 0.00 0.00 0.00 175.76 174.80 1quf s ILE 222 N 1.07 5.02 0.38 0.00 1.01 -1.25 -2.21 121.20 125.22 1quf s ILE 222 Ca 0.12 -0.87 0.12 0.00 0.00 0.00 0.00 60.65 60.02 1quf s ILE 222 Cb -0.19 -3.87 0.34 0.00 0.01 0.00 0.00 42.46 38.75 1quf s ILE 222 CO -0.14 -0.38 1.87 0.28 0.00 0.00 0.00 174.94 176.56 1quf h SER 223 N 8.60 0.55 0.01 3.58 0.02 -1.37 -1.91 113.55 123.04 1quf h SER 223 Ca -0.27 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1quf h SER 223 Cb 1.11 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1quf h SER 223 CO 0.76 0.26 -0.18 0.54 -1.14 0.00 0.00 176.83 177.07 1quf n ARG 224 N -4.55 1.69 0.00 3.45 5.12 0.60 -4.18 116.66 118.80 1quf n ARG 224 Ca 0.18 -1.31 0.00 0.00 -1.93 0.00 0.00 57.85 54.79 1quf n ARG 224 Cb 0.55 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 1quf n ARG 224 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1quf n GLU 225 N 0.49 3.97 -4.12 5.56 1.02 -1.16 -5.06 120.64 121.34 1quf n GLU 225 Ca 0.13 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1quf n GLU 225 Cb 0.49 -0.36 -0.12 0.00 -0.02 0.00 0.00 31.44 31.43 1quf n GLU 225 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1quf s GLN 226 N -0.57 0.62 0.06 3.49 -0.21 -0.73 -5.05 119.66 117.26 1quf s GLN 226 Ca 0.00 -0.76 0.08 0.00 0.02 0.00 0.00 55.36 54.70 1quf s GLN 226 Cb 0.00 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 33.50 1quf s GLN 226 CO 0.00 0.10 -0.23 0.15 -2.12 0.00 0.00 175.29 173.19 1quf s LYS 227 N -1.47 1.51 0.95 2.91 -0.14 -1.26 -1.12 119.74 121.12 1quf s LYS 227 Ca -0.06 -1.05 -0.14 0.00 -1.36 0.00 0.00 55.97 53.36 1quf s LYS 227 Cb -0.09 -1.69 0.20 0.00 -1.68 0.00 0.00 37.83 34.58 1quf s LYS 227 CO 0.01 0.43 1.30 0.54 -0.76 0.00 0.00 175.35 176.86 1quf s ASN 228 N -1.32 3.12 0.00 2.83 2.20 -0.41 -4.75 114.94 116.60 1quf s ASN 228 Ca 0.09 0.12 0.08 0.00 -0.94 0.00 0.00 52.86 52.21 1quf s ASN 228 Cb -0.09 -0.15 0.40 0.00 -2.00 0.00 0.00 41.25 39.40 1quf s ASN 228 CO 0.02 -2.72 1.11 -2.65 -2.94 0.00 0.00 177.10 169.92 1quf n PRO 229 N -3.70 0.12 -0.16 3.55 -0.02 -1.26 -2.15 135.00 131.38 1quf n PRO 229 Ca 0.16 0.20 0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1quf n PRO 229 Cb 0.59 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.75 1quf n PRO 229 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1quf n GLN 230 N -1.27 2.24 -0.49 -0.52 3.00 -1.26 -4.98 117.38 114.10 1quf n GLN 230 Ca 0.04 -2.05 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 1quf n GLN 230 Cb 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.90 1quf n GLN 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1quf n GLY 231 N 1.12 1.13 3.88 1.08 0.00 -0.91 -5.05 105.19 106.43 1quf n GLY 231 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1quf n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1quf n GLY 232 N -2.00 -0.29 3.77 -0.02 0.00 -1.26 -4.77 105.19 100.61 1quf n GLY 232 Ca 0.00 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 1quf n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1quf s ARG 233 N -5.46 3.48 -0.27 1.61 1.81 -1.26 -1.29 118.95 117.57 1quf s ARG 233 Ca 0.70 1.70 -0.29 0.00 -1.72 0.00 0.00 55.73 56.13 1quf s ARG 233 Cb -0.03 -2.16 0.01 0.00 -0.45 0.00 0.00 34.95 32.32 1quf s ARG 233 CO 0.48 -0.77 1.09 1.41 -0.68 0.00 0.00 175.30 176.83 1quf s MET 234 N -3.05 4.16 0.32 3.54 -2.45 -0.27 -4.46 119.30 117.08 1quf s MET 234 Ca 0.70 1.25 0.09 0.00 -1.25 0.00 0.00 55.69 56.48 1quf s MET 234 Cb -0.27 -3.71 -0.05 0.00 1.25 0.00 0.00 34.83 32.06 1quf s MET 234 CO 0.31 -0.78 -0.02 0.71 1.05 0.00 0.00 175.02 176.29 1quf s TYR 235 N 3.49 2.53 0.56 4.11 2.02 -1.26 -3.01 117.35 125.78 1quf s TYR 235 Ca 0.46 -0.40 0.25 0.00 -0.37 0.00 0.00 57.07 57.01 1quf s TYR 235 Cb -0.14 -1.38 1.49 0.00 -0.40 0.00 0.00 41.96 41.52 1quf s TYR 235 CO 0.12 0.53 2.08 0.97 -1.57 0.00 0.00 175.55 177.68 1quf h ILE 236 N 1.88 0.67 -0.18 2.71 2.10 -1.92 -1.30 117.51 121.47 1quf h ILE 236 Ca -0.43 0.00 -0.18 0.00 1.08 0.00 0.00 64.86 65.34 1quf h ILE 236 Cb 1.25 0.85 -0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1quf h ILE 236 CO 0.65 0.00 -0.61 1.56 -1.08 0.00 0.00 178.15 178.67 1quf h GLN 237 N 0.00 0.62 -0.50 2.19 7.50 -1.90 0.57 115.11 123.60 1quf h GLN 237 Ca 0.12 -0.43 -0.09 0.00 0.50 0.00 0.00 58.65 58.75 1quf h GLN 237 Cb 0.53 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.10 1quf h GLN 237 CO -0.00 1.04 -0.04 -0.44 -1.50 0.00 0.00 178.83 177.90 1quf h ASP 238 N 0.46 0.90 -0.44 1.46 3.32 -1.62 -0.04 116.42 120.46 1quf h ASP 238 Ca -0.00 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.64 1quf h ASP 238 Cb 1.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1quf h ASP 238 CO 0.12 1.01 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.50 1quf h ARG 239 N 0.77 0.82 0.00 3.56 9.65 -1.12 -1.59 114.38 126.47 1quf h ARG 239 Ca 0.14 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.70 1quf h ARG 239 Cb 0.57 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1quf h ARG 239 CO 0.03 0.91 -0.12 0.28 2.80 0.00 0.00 179.97 183.86 1quf h VAL 240 N 0.66 0.43 0.01 0.20 2.07 -0.70 -2.67 116.25 116.25 1quf h VAL 240 Ca 0.12 -0.67 -0.22 0.00 0.82 0.00 0.00 66.70 66.75 1quf h VAL 240 Cb 0.57 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1quf h VAL 240 CO 0.03 0.12 -0.94 0.00 0.02 0.00 0.00 177.57 176.81 1quf h ALA 241 N 1.88 0.40 0.00 1.67 0.00 -0.36 0.08 119.26 122.93 1quf h ALA 241 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1quf h ALA 241 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1quf h ALA 241 CO 0.02 0.87 -0.13 -0.85 0.00 0.00 0.00 179.25 179.15 1quf n GLU 242 N -3.70 0.22 -0.23 0.00 0.28 -0.66 -3.12 120.64 113.44 1quf n GLU 242 Ca -0.06 0.15 0.08 0.00 -0.16 0.00 0.00 57.16 57.18 1quf n GLU 242 Cb 0.84 -1.73 0.14 0.00 1.43 0.00 0.00 31.44 32.12 1quf n GLU 242 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1quf n HIS 243 N -2.09 0.00 -0.24 -1.84 8.25 -1.12 -4.81 115.22 113.37 1quf n HIS 243 Ca 0.05 -1.00 0.04 0.00 -0.26 0.00 0.00 57.72 56.56 1quf n HIS 243 Cb 0.41 -0.16 0.17 0.00 1.12 0.00 0.00 29.99 31.53 1quf n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1quf h ALA 244 N 0.20 0.96 0.22 -1.41 0.00 -0.91 -1.31 119.26 117.01 1quf h ALA 244 Ca -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1quf h ALA 244 Cb 1.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1quf h ALA 244 CO 0.00 -0.26 -0.11 -0.44 0.00 0.00 0.00 179.25 178.45 1quf h ASP 245 N 0.37 -0.25 -0.26 0.00 3.32 -1.86 -1.22 116.42 116.51 1quf h ASP 245 Ca 0.39 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.37 1quf h ASP 245 Cb 0.61 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1quf h ASP 245 CO -0.42 -0.07 0.13 1.56 -1.72 0.00 0.00 179.24 178.72 1quf h GLN 246 N -0.43 0.27 -0.77 3.56 4.20 -1.90 0.11 115.11 120.14 1quf h GLN 246 Ca -0.03 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.73 1quf h GLN 246 Cb 0.33 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 1quf h GLN 246 CO 0.05 0.18 0.45 -0.07 -0.67 0.00 0.00 178.83 178.77 1quf h LEU 247 N 0.28 0.68 -0.78 1.46 -0.00 -1.21 -1.36 115.31 114.38 1quf h LEU 247 Ca 0.10 0.03 -0.13 0.00 -0.00 0.00 0.00 57.88 57.89 1quf h LEU 247 Cb 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 1quf h LEU 247 CO -0.07 0.42 -0.55 -0.25 -0.00 0.00 0.00 178.44 177.99 1quf h TRP 248 N 0.80 0.21 -0.01 1.13 2.91 -0.36 -1.07 115.95 119.56 1quf h TRP 248 Ca 0.35 -0.07 -0.09 0.00 1.13 0.00 0.00 58.89 60.21 1quf h TRP 248 Cb 0.23 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 1quf h TRP 248 CO -0.06 0.68 -0.41 1.96 -1.03 0.00 0.00 178.44 179.58 1quf h GLN 249 N 0.13 0.02 0.18 2.65 4.20 -0.15 -2.15 115.11 119.99 1quf h GLN 249 Ca -0.00 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1quf h GLN 249 Cb 1.01 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.81 1quf h GLN 249 CO 0.08 0.43 -1.39 -0.07 -0.67 0.00 0.00 178.83 177.21 1quf h LEU 250 N 0.01 0.59 -1.64 1.46 3.38 -1.03 -3.31 115.31 114.77 1quf h LEU 250 Ca -0.00 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 1quf h LEU 250 Cb 0.74 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1quf h LEU 250 CO 0.05 1.52 -0.02 0.40 0.09 0.00 0.00 178.44 180.48 1quf h ILE 251 N 0.10 1.11 0.00 1.22 2.04 -0.97 -2.60 117.51 118.41 1quf h ILE 251 Ca -0.20 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1quf h ILE 251 Cb 2.06 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1quf h ILE 251 CO 0.23 0.14 -0.05 0.11 0.00 0.00 0.00 178.15 178.57 1quf h LYS 252 N 0.20 0.00 -6.91 2.37 1.57 -1.48 -3.44 116.57 108.88 1quf h LYS 252 Ca 0.05 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.31 1quf h LYS 252 Cb 0.17 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.54 1quf h LYS 252 CO 0.01 0.05 0.56 1.21 -0.57 0.00 0.00 179.45 180.71 1quf s ASN 253 N -6.09 6.61 0.52 0.86 3.84 -0.98 -4.93 114.94 114.77 1quf s ASN 253 Ca -0.04 2.49 0.30 0.00 0.21 0.00 0.00 52.86 55.82 1quf s ASN 253 Cb 0.14 -2.63 1.39 0.00 -0.55 0.00 0.00 41.25 39.60 1quf s ASN 253 CO 0.55 -0.63 2.02 1.05 -2.79 0.00 0.00 177.10 177.30 1quf h GLU 254 N 2.95 0.00 0.00 0.43 4.11 -1.89 -3.02 114.58 117.17 1quf h GLU 254 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1quf h GLU 254 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1quf h GLU 254 CO 0.64 0.11 -0.99 1.63 0.07 0.00 0.00 179.01 180.46 1quf n LYS 255 N -3.38 0.15 -2.25 1.06 5.02 -1.26 -4.96 118.16 112.53 1quf n LYS 255 Ca -0.01 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 1quf n LYS 255 Cb 0.29 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1quf n LYS 255 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1quf s THR 256 N -3.11 3.02 -0.01 -0.18 2.01 -1.14 -3.17 115.64 113.05 1quf s THR 256 Ca 0.06 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.09 1quf s THR 256 Cb 0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1quf s THR 256 CO 0.82 0.22 -0.13 -1.00 -0.69 0.00 0.00 174.62 173.84 1quf s HIS 257 N -1.19 1.15 -0.08 4.92 3.76 -0.16 -4.88 115.29 118.82 1quf s HIS 257 Ca 0.49 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.22 1quf s HIS 257 Cb -0.36 -0.75 -0.00 0.00 1.11 0.00 0.00 32.58 32.58 1quf s HIS 257 CO 0.47 -0.03 -0.23 0.99 -0.85 0.00 0.00 174.74 175.09 1quf s THR 258 N -0.24 1.94 -0.05 1.30 2.01 -0.44 -0.73 115.64 119.42 1quf s THR 258 Ca 0.04 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.11 1quf s THR 258 Cb -0.05 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 1quf s THR 258 CO -0.00 0.54 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.94 1quf s TYR 259 N 0.13 2.16 -0.06 4.92 1.51 0.19 -0.35 117.35 125.85 1quf s TYR 259 Ca -0.11 -0.65 0.04 0.00 -1.01 0.00 0.00 57.07 55.34 1quf s TYR 259 Cb -0.16 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1quf s TYR 259 CO 0.06 -0.21 -0.18 0.42 -1.11 0.00 0.00 175.55 174.53 1quf s ILE 260 N -0.06 1.52 -0.16 2.71 1.01 0.04 0.47 121.20 126.73 1quf s ILE 260 Ca -0.05 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.65 1quf s ILE 260 Cb -0.13 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.07 1quf s ILE 260 CO 0.03 0.44 0.55 0.00 0.00 0.00 0.00 174.94 175.96 1quf n GLY 262 N 2.29 0.56 3.78 0.00 0.00 -1.18 -2.18 105.19 108.47 1quf n GLY 262 Ca -0.15 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 1quf n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1quf s LEU 263 N 0.00 3.32 0.73 0.99 1.43 -1.26 -1.92 118.68 121.97 1quf s LEU 263 Ca 0.00 1.89 -0.16 0.00 -1.03 0.00 0.00 54.13 54.83 1quf s LEU 263 Cb 0.00 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.72 1quf s LEU 263 CO 0.00 -1.59 1.23 0.54 0.23 0.00 0.00 176.35 176.76 1quf n ARG 264 N -2.62 0.61 0.00 1.70 1.74 -1.26 -4.27 116.66 112.56 1quf n ARG 264 Ca 0.09 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1quf n ARG 264 Cb 0.52 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1quf n ARG 264 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1quf n GLY 265 N 0.75 2.12 0.06 -0.13 0.00 -1.26 -4.96 105.19 101.77 1quf n GLY 265 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1quf n GLY 265 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1quf n MET 266 N 0.00 0.34 -0.13 1.61 -0.00 -1.26 -4.20 117.12 113.49 1quf n MET 266 Ca 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 57.70 57.73 1quf n MET 266 Cb 0.00 -1.69 0.16 0.00 -0.00 0.00 0.00 33.22 31.70 1quf n MET 266 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1quf h GLU 267 N 0.00 0.83 0.00 3.17 5.08 -1.93 -2.75 114.58 118.98 1quf h GLU 267 Ca 0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1quf h GLU 267 Cb 0.78 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1quf h GLU 267 CO 0.00 0.79 -0.17 1.05 -1.00 0.00 0.00 179.01 179.69 1quf h GLU 268 N 0.79 0.00 0.02 2.33 4.11 -2.00 -2.09 114.58 117.74 1quf h GLU 268 Ca 0.16 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.32 1quf h GLU 268 Cb 0.38 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1quf h GLU 268 CO 0.01 0.17 -1.52 0.78 0.07 0.00 0.00 179.01 178.52 1quf h GLY 269 N 2.17 0.04 1.47 1.06 0.00 -1.79 -2.62 103.07 103.40 1quf h GLY 269 Ca -0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1quf h GLY 269 CO 0.02 0.10 -0.50 -2.22 0.00 0.00 0.00 176.54 173.94 1quf h ILE 270 N 0.01 1.31 -0.18 2.60 2.04 -1.40 -2.85 117.51 119.04 1quf h ILE 270 Ca -0.22 -1.73 -0.07 0.00 1.00 0.00 0.00 64.86 63.85 1quf h ILE 270 Cb 1.95 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1quf h ILE 270 CO 0.10 0.54 -0.15 0.44 0.00 0.00 0.00 178.15 179.08 1quf h ASP 271 N 0.45 0.44 -0.61 1.72 3.32 -1.46 -1.68 116.42 118.59 1quf h ASP 271 Ca 0.02 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1quf h ASP 271 Cb 1.04 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 1quf h ASP 271 CO 0.10 0.81 0.40 0.00 -1.72 0.00 0.00 179.24 178.83 1quf h ALA 272 N 0.64 1.58 -0.07 3.45 0.00 -1.49 0.11 119.26 123.50 1quf h ALA 272 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1quf h ALA 272 Cb 0.68 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1quf h ALA 272 CO 0.04 0.38 -0.19 0.00 0.00 0.00 0.00 179.25 179.48 1quf h ALA 273 N 1.62 0.11 0.00 0.00 0.00 -1.46 -2.97 119.26 116.57 1quf h ALA 273 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1quf h ALA 273 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1quf h ALA 273 CO -0.05 0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1quf h LEU 274 N -0.26 0.00 0.01 0.00 3.38 -1.00 -2.87 115.31 114.57 1quf h LEU 274 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1quf h LEU 274 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1quf h LEU 274 CO 0.04 0.00 -0.01 -1.28 0.09 0.00 0.00 178.44 177.28 1quf h SER 275 N 0.00 -0.01 -0.98 -0.43 0.87 -0.74 -2.48 113.55 109.77 1quf h SER 275 Ca 0.00 -0.73 0.04 0.00 -1.23 0.00 0.00 61.79 59.87 1quf h SER 275 Cb 0.50 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 1quf h SER 275 CO 0.00 0.74 0.64 0.00 -0.53 0.00 0.00 176.83 177.68 1quf h ALA 276 N 0.15 1.29 0.53 6.23 0.00 -1.45 0.40 119.26 126.42 1quf h ALA 276 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1quf h ALA 276 Cb 0.75 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1quf h ALA 276 CO 0.00 0.52 -0.28 0.00 0.00 0.00 0.00 179.25 179.50 1quf h ALA 277 N 1.40 -0.74 -0.17 0.00 0.00 -1.58 -3.13 119.26 115.03 1quf h ALA 277 Ca 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1quf h ALA 277 Cb 0.01 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1quf h ALA 277 CO -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 179.25 178.17 1quf h ALA 278 N -0.28 1.63 0.00 0.00 0.00 -1.13 -2.96 119.26 116.52 1quf h ALA 278 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1quf h ALA 278 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1quf h ALA 278 CO 0.10 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1quf h ALA 279 N 1.72 1.00 0.00 0.00 0.00 -0.86 -1.63 119.26 119.50 1quf h ALA 279 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1quf h ALA 279 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1quf h ALA 279 CO 0.01 0.00 -0.09 0.87 0.00 0.00 0.00 179.25 180.04 1quf h LYS 280 N 0.00 0.00 -0.20 0.00 1.57 -1.51 -3.06 116.57 113.37 1quf h LYS 280 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1quf h LYS 280 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1quf h LYS 280 CO 0.00 0.09 -0.05 0.39 -0.57 0.00 0.00 179.45 179.32 1quf n GLU 281 N -3.18 2.18 -1.00 3.15 1.02 -1.05 -4.98 120.64 116.78 1quf n GLU 281 Ca 0.01 -2.88 -0.00 0.00 -0.02 0.00 0.00 57.16 54.28 1quf n GLU 281 Cb 0.42 -1.74 -0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1quf n GLU 281 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1quf n GLY 282 N -0.93 0.45 3.47 0.62 0.00 -1.16 -5.03 105.19 102.61 1quf n GLY 282 Ca 0.22 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1quf n GLY 282 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1quf s VAL 283 N -1.90 2.87 -0.42 1.61 -7.23 -0.64 -4.98 120.40 109.72 1quf s VAL 283 Ca 0.00 -1.18 -0.20 0.00 -1.81 0.00 0.00 61.98 58.79 1quf s VAL 283 Cb 0.00 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.74 1quf s VAL 283 CO 0.00 0.32 0.61 0.28 -0.31 0.00 0.00 175.10 176.00 1quf s THR 284 N -0.95 4.87 0.21 5.32 -1.32 -1.26 -3.11 115.64 119.40 1quf s THR 284 Ca 0.15 0.14 -0.15 0.00 -1.21 0.00 0.00 61.69 60.63 1quf s THR 284 Cb -0.11 -4.16 0.23 0.00 -1.51 0.00 0.00 72.50 66.96 1quf s THR 284 CO 0.06 -0.52 1.61 -0.25 -2.21 0.00 0.00 174.62 173.32 1quf h TRP 285 N 8.78 -0.47 -0.88 9.09 2.91 -1.85 -1.90 115.95 131.63 1quf h TRP 285 Ca -0.26 0.06 0.17 0.00 1.13 0.00 0.00 58.89 59.99 1quf h TRP 285 Cb 1.10 0.31 -0.07 0.00 -0.51 0.00 0.00 29.16 29.99 1quf h TRP 285 CO 0.72 -0.31 0.57 0.66 -1.03 0.00 0.00 178.44 179.05 1quf h SER 286 N -0.04 0.53 0.98 2.65 4.64 -1.93 0.37 113.55 120.75 1quf h SER 286 Ca 0.30 0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 61.45 1quf h SER 286 Cb 0.50 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1quf h SER 286 CO -0.68 0.25 -1.02 0.44 -0.87 0.00 0.00 176.83 174.94 1quf h ASP 287 N 0.55 0.00 0.35 4.97 3.32 -1.80 -1.68 116.42 122.14 1quf h ASP 287 Ca 0.45 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.30 1quf h ASP 287 Cb 0.91 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1quf h ASP 287 CO -0.19 1.00 -0.84 0.22 -1.72 0.00 0.00 179.24 177.71 1quf h TYR 288 N 0.00 0.52 -0.12 4.55 5.03 -0.55 -3.10 116.97 123.29 1quf h TYR 288 Ca -0.02 -0.26 -0.02 0.00 2.58 0.00 0.00 58.73 61.01 1quf h TYR 288 Cb 1.78 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 39.99 1quf h TYR 288 CO 0.00 1.05 0.01 0.37 -1.32 0.00 0.00 178.16 178.27 1quf h GLN 289 N 0.22 0.21 -0.91 1.82 4.15 -0.31 -1.54 115.11 118.75 1quf h GLN 289 Ca -0.05 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.43 1quf h GLN 289 Cb 1.44 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 29.02 1quf h GLN 289 CO 0.14 0.44 0.53 0.87 -1.93 0.00 0.00 178.83 178.88 1quf h LYS 290 N -0.04 0.79 0.00 1.69 1.57 -1.36 0.13 116.57 119.35 1quf h LYS 290 Ca 0.04 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1quf h LYS 290 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1quf h LYS 290 CO 0.00 0.52 -0.52 -0.44 -0.57 0.00 0.00 179.45 178.44 1quf h ASP 291 N 0.81 0.00 0.54 0.86 3.32 -1.41 -2.23 116.42 118.31 1quf h ASP 291 Ca 0.47 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.34 1quf h ASP 291 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1quf h ASP 291 CO -0.30 0.52 -0.82 -0.07 -1.72 0.00 0.00 179.24 176.85 1quf h LEU 292 N 0.00 0.26 -0.08 1.55 3.38 0.08 -2.40 115.31 118.10 1quf h LEU 292 Ca -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1quf h LEU 292 Cb 0.98 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1quf h LEU 292 CO 0.07 0.97 -0.08 0.11 0.09 0.00 0.00 178.44 179.59 1quf h LYS 293 N 0.12 0.19 -0.10 1.13 1.57 -0.71 0.58 116.57 119.35 1quf h LYS 293 Ca -0.04 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1quf h LYS 293 Cb 1.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.73 1quf h LYS 293 CO 0.12 0.63 0.07 0.87 -0.57 0.00 0.00 179.45 180.57 1quf h LYS 294 N -0.23 0.03 -0.00 3.15 1.57 -1.43 0.36 116.57 120.01 1quf h LYS 294 Ca 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1quf h LYS 294 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1quf h LYS 294 CO 0.02 0.02 -0.11 0.00 -0.57 0.00 0.00 179.45 178.81 1quf n ALA 295 N -2.55 2.75 -1.77 3.86 0.00 -0.91 -4.92 120.51 116.97 1quf n ALA 295 Ca -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 1quf n ALA 295 Cb 0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1quf n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1quf n GLY 296 N 1.28 0.38 0.13 0.00 0.00 0.12 -4.94 105.19 102.16 1quf n GLY 296 Ca 0.14 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.49 1quf n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1quf n ARG 297 N -2.02 2.28 -4.00 1.61 1.74 0.20 -4.87 116.66 111.59 1quf n ARG 297 Ca -0.07 -0.46 -0.31 0.00 -0.77 0.00 0.00 57.85 56.24 1quf n ARG 297 Cb 0.42 -0.94 -0.15 0.00 -1.02 0.00 0.00 32.46 30.77 1quf n ARG 297 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1quf s TRP 298 N -0.92 3.11 -0.18 -1.55 -0.11 -0.96 -1.33 118.94 117.00 1quf s TRP 298 Ca 0.05 -2.36 -0.05 0.00 1.22 0.00 0.00 56.10 54.96 1quf s TRP 298 Cb 0.04 -2.13 -0.03 0.00 -1.50 0.00 0.00 33.47 29.85 1quf s TRP 298 CO 0.13 -0.88 -0.01 -1.01 -4.62 0.00 0.00 176.95 170.57 1quf s HIS 299 N 1.14 3.05 0.02 5.86 3.76 0.52 -4.52 115.29 125.13 1quf s HIS 299 Ca -0.01 -0.33 0.04 0.00 -0.15 0.00 0.00 55.06 54.60 1quf s HIS 299 Cb -0.19 -2.02 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 1quf s HIS 299 CO -0.08 -0.11 -0.11 0.08 -0.85 0.00 0.00 174.74 173.68 1quf s VAL 300 N 0.64 0.87 -0.43 -0.90 1.01 -1.26 -0.78 120.40 119.54 1quf s VAL 300 Ca -0.01 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1quf s VAL 300 Cb -0.14 -0.79 0.18 0.00 0.00 0.00 0.00 36.38 35.63 1quf s VAL 300 CO 0.02 0.02 0.57 -0.70 0.00 0.00 0.00 175.10 175.01 1quf s GLU 301 N -0.85 0.86 0.08 2.72 2.12 -0.79 -4.95 118.70 117.89 1quf s GLU 301 Ca 0.01 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.56 1quf s GLU 301 Cb -0.06 -0.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 1quf s GLU 301 CO 0.01 -1.25 -0.05 0.95 -0.54 0.00 0.00 175.26 174.37 1quf s THR 302 N 1.28 3.70 0.00 -1.70 -4.23 -1.26 -3.09 115.64 110.34 1quf s THR 302 Ca 0.22 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1quf s THR 302 Cb -0.05 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.07 1quf s THR 302 CO -0.06 0.17 0.00 0.00 -0.54 0.00 0.00 174.62 174.19