#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qf3 s GLU 2 N 0.00 2.66 -0.08 0.00 2.12 0.33 -4.92 118.70 118.81 1qf3 s GLU 2 Ca 0.00 -1.17 0.04 0.00 0.36 0.00 0.00 54.97 54.21 1qf3 s GLU 2 Cb 0.00 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1qf3 s GLU 2 CO 0.00 -0.68 -0.22 0.99 -0.54 0.00 0.00 175.26 174.80 1qf3 s THR 3 N 1.43 2.25 -0.16 -1.70 2.01 -1.26 -0.70 115.64 117.52 1qf3 s THR 3 Ca -0.01 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.03 1qf3 s THR 3 Cb -0.20 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.48 1qf3 s THR 3 CO 0.04 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 1qf3 s VAL 4 N 0.04 2.12 -0.03 3.82 1.01 -0.37 -4.96 120.40 122.04 1qf3 s VAL 4 Ca -0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1qf3 s VAL 4 Cb -0.15 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1qf3 s VAL 4 CO 0.06 0.54 0.11 -0.94 0.00 0.00 0.00 175.10 174.87 1qf3 s SER 5 N 1.02 -0.05 0.10 3.32 1.04 -1.26 -1.14 113.70 116.74 1qf3 s SER 5 Ca -0.02 0.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.30 1qf3 s SER 5 Cb -0.14 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1qf3 s SER 5 CO -0.06 -0.16 0.38 0.72 0.98 0.00 0.00 173.24 175.10 1qf3 s PHE 6 N -0.48 -0.19 -0.07 5.02 -0.12 -0.43 -5.00 117.98 116.72 1qf3 s PHE 6 Ca -0.06 -0.06 -0.03 0.00 -0.05 0.00 0.00 56.93 56.73 1qf3 s PHE 6 Cb -0.04 0.22 0.04 0.00 -0.63 0.00 0.00 43.02 42.61 1qf3 s PHE 6 CO 0.00 -0.65 0.15 1.21 -0.05 0.00 0.00 175.22 175.88 1qf3 s ASN 7 N -2.58 0.13 -0.25 1.98 2.47 -1.26 -1.03 114.94 114.40 1qf3 s ASN 7 Ca 0.01 0.30 0.03 0.00 0.42 0.00 0.00 52.86 53.61 1qf3 s ASN 7 Cb 0.01 0.20 0.06 0.00 -1.45 0.00 0.00 41.25 40.07 1qf3 s ASN 7 CO -0.09 -0.17 -0.11 -0.36 -3.72 0.00 0.00 177.10 172.64 1qf3 s PHE 8 N 1.48 3.19 -0.09 0.43 0.08 0.15 -4.95 117.98 118.27 1qf3 s PHE 8 Ca -0.06 -2.25 0.15 0.00 0.12 0.00 0.00 56.93 54.89 1qf3 s PHE 8 Cb -0.12 -1.91 -0.14 0.00 -0.57 0.00 0.00 43.02 40.28 1qf3 s PHE 8 CO -0.06 -0.87 0.88 -0.91 -0.10 0.00 0.00 175.22 174.17 1qf3 h ASN 9 N 7.79 0.00 -4.96 1.36 2.35 -1.86 -1.27 115.58 118.99 1qf3 h ASN 9 Ca -0.21 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 1qf3 h ASN 9 Cb 1.05 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.22 1qf3 h ASN 9 CO 0.47 0.68 -0.06 -0.94 -1.65 0.00 0.00 177.43 175.93 1qf3 s SER 10 N -5.97 -0.41 0.12 5.81 1.04 -1.26 -4.67 113.70 108.35 1qf3 s SER 10 Ca -0.02 0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.85 1qf3 s SER 10 Cb 0.08 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1qf3 s SER 10 CO 0.81 -0.51 0.04 -0.36 0.98 0.00 0.00 173.24 174.20 1qf3 s PHE 11 N -1.22 3.04 0.00 5.02 0.40 0.15 -5.05 117.98 120.32 1qf3 s PHE 11 Ca -0.12 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1qf3 s PHE 11 Cb -0.03 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.98 1qf3 s PHE 11 CO 0.07 0.50 -0.01 -1.54 0.70 0.00 0.00 175.22 174.94 1qf3 s SER 12 N -2.59 0.13 -0.00 1.36 1.04 -1.26 -4.48 113.70 107.89 1qf3 s SER 12 Ca 0.28 -0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 1qf3 s SER 12 Cb -0.11 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 1qf3 s SER 12 CO 0.20 -0.03 1.08 -1.83 0.98 0.00 0.00 173.24 173.64 1qf3 s GLU 13 N -0.24 4.47 0.00 4.02 -1.05 -1.26 -3.17 118.70 121.48 1qf3 s GLU 13 Ca -0.02 1.56 0.00 0.00 -0.15 0.00 0.00 54.97 56.36 1qf3 s GLU 13 Cb -0.02 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.22 1qf3 s GLU 13 CO -0.00 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.41 1qf3 n GLY 14 N 3.09 1.05 3.62 -3.83 0.00 -1.26 -5.07 105.19 102.79 1qf3 n GLY 14 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1qf3 n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qf3 s ASN 15 N -1.56 6.76 0.14 1.61 3.04 -1.19 -4.90 114.94 118.84 1qf3 s ASN 15 Ca 0.00 0.72 0.09 0.00 0.04 0.00 0.00 52.86 53.71 1qf3 s ASN 15 Cb 0.00 -2.52 0.49 0.00 -1.54 0.00 0.00 41.25 37.68 1qf3 s ASN 15 CO 0.00 -0.99 1.25 -0.81 -3.04 0.00 0.00 177.10 173.51 1qf3 n PRO 16 N 7.15 0.06 0.02 0.43 -0.04 -1.26 -1.86 135.00 139.50 1qf3 n PRO 16 Ca 0.10 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 1qf3 n PRO 16 Cb 0.48 -1.73 0.51 0.00 -0.04 0.00 0.00 33.50 32.72 1qf3 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qf3 n ALA 17 N -1.59 2.56 -2.33 0.55 0.00 -1.26 -4.75 120.51 113.69 1qf3 n ALA 17 Ca -0.01 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1qf3 n ALA 17 Cb 0.05 -1.40 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 1qf3 n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qf3 s ILE 18 N -3.02 2.12 -0.18 0.00 1.01 -0.78 -0.42 121.20 119.93 1qf3 s ILE 18 Ca 0.13 -1.24 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1qf3 s ILE 18 Cb 0.18 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1qf3 s ILE 18 CO 0.58 0.47 -0.08 0.20 0.00 0.00 0.00 174.94 176.10 1qf3 s ASN 19 N -0.94 4.13 -0.12 3.58 0.02 -0.19 -4.75 114.94 116.68 1qf3 s ASN 19 Ca 0.11 -0.38 -0.04 0.00 -1.02 0.00 0.00 52.86 51.53 1qf3 s ASN 19 Cb -0.10 -1.68 -0.04 0.00 0.02 0.00 0.00 41.25 39.46 1qf3 s ASN 19 CO 0.01 0.05 0.04 -0.36 0.02 0.00 0.00 177.10 176.86 1qf3 s PHE 20 N 1.03 3.27 -0.04 2.20 0.40 -1.26 -1.37 117.98 122.21 1qf3 s PHE 20 Ca -0.00 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1qf3 s PHE 20 Cb -0.15 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.49 1qf3 s PHE 20 CO -0.01 0.41 -0.06 -0.65 0.70 0.00 0.00 175.22 175.61 1qf3 s GLN 21 N -0.52 0.89 3.16 0.44 -0.21 -0.20 -5.02 119.66 118.20 1qf3 s GLN 21 Ca 0.10 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.29 1qf3 s GLN 21 Cb -0.12 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.04 1qf3 s GLN 21 CO 0.02 -0.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 1qf3 n GLY 22 N 3.72 -0.04 0.34 3.09 0.00 -1.26 -0.90 105.19 110.14 1qf3 n GLY 22 Ca -0.22 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1qf3 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qf3 n ASP 23 N 2.14 0.62 -4.76 1.61 8.00 0.11 -4.92 116.55 119.35 1qf3 n ASP 23 Ca 0.00 -1.83 -0.40 0.00 0.71 0.00 0.00 54.79 53.27 1qf3 n ASP 23 Cb 0.00 -0.31 0.02 0.00 -0.02 0.00 0.00 41.12 40.81 1qf3 n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qf3 s VAL 24 N -1.32 2.03 -0.04 2.53 1.01 -1.22 -4.29 120.40 119.09 1qf3 s VAL 24 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1qf3 s VAL 24 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1qf3 s VAL 24 CO 0.00 0.00 0.18 0.28 0.00 0.00 0.00 175.10 175.57 1qf3 s THR 25 N -1.21 0.03 -0.33 3.92 -1.32 -0.23 -5.00 115.64 111.50 1qf3 s THR 25 Ca 0.63 -0.26 -0.08 0.00 -1.21 0.00 0.00 61.69 60.77 1qf3 s THR 25 Cb -0.44 -0.35 0.02 0.00 -1.51 0.00 0.00 72.50 70.22 1qf3 s THR 25 CO 0.56 -0.14 0.13 -0.69 -2.21 0.00 0.00 174.62 172.26 1qf3 s VAL 26 N -0.48 4.17 0.90 5.08 1.01 -1.26 -0.45 120.40 129.36 1qf3 s VAL 26 Ca -0.06 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1qf3 s VAL 26 Cb -0.04 -3.24 0.13 0.00 0.00 0.00 0.00 36.38 33.23 1qf3 s VAL 26 CO 0.01 -0.07 1.09 -0.76 0.00 0.00 0.00 175.10 175.38 1qf3 s LEU 27 N 1.51 2.27 0.55 3.92 1.43 -0.23 -4.93 118.68 123.20 1qf3 s LEU 27 Ca 0.02 1.50 0.36 0.00 -1.03 0.00 0.00 54.13 54.98 1qf3 s LEU 27 Cb -0.18 -3.92 1.73 0.00 0.03 0.00 0.00 46.19 43.85 1qf3 s LEU 27 CO 0.04 -2.65 2.09 0.77 0.23 0.00 0.00 176.35 176.83 1qf3 h SER 28 N -1.55 0.00 -0.18 2.29 4.64 -1.98 -1.96 113.55 114.80 1qf3 h SER 28 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1qf3 h SER 28 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1qf3 h SER 28 CO 0.54 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.04 1qf3 n ASN 29 N -2.94 1.74 0.00 4.97 0.23 -1.26 -4.91 115.26 113.08 1qf3 n ASN 29 Ca -0.01 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.31 1qf3 n ASN 29 Cb 0.19 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1qf3 n ASN 29 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qf3 n GLY 30 N 1.14 1.01 3.84 4.83 0.00 -0.74 -4.93 105.19 110.34 1qf3 n GLY 30 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1qf3 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qf3 s ASN 31 N -2.79 5.71 -0.21 1.61 0.02 -1.26 -0.67 114.94 117.34 1qf3 s ASN 31 Ca 0.00 1.56 -0.04 0.00 -1.02 0.00 0.00 52.86 53.36 1qf3 s ASN 31 Cb 0.00 -2.49 -0.02 0.00 0.02 0.00 0.00 41.25 38.76 1qf3 s ASN 31 CO 0.00 -1.22 -0.02 -0.63 0.02 0.00 0.00 177.10 175.24 1qf3 s ILE 32 N -3.06 3.65 -0.31 0.60 1.01 -0.88 -1.06 121.20 121.15 1qf3 s ILE 32 Ca 0.57 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1qf3 s ILE 32 Cb -0.13 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1qf3 s ILE 32 CO 0.53 0.43 0.20 -1.58 0.00 0.00 0.00 174.94 174.52 1qf3 s GLN 33 N 1.18 3.57 0.15 2.79 0.74 0.41 -1.47 119.66 127.03 1qf3 s GLN 33 Ca 0.03 -0.58 -0.04 0.00 0.05 0.00 0.00 55.36 54.82 1qf3 s GLN 33 Cb -0.14 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 1qf3 s GLN 33 CO 0.00 -0.36 1.37 -0.07 -0.55 0.00 0.00 175.29 175.68 1qf3 h LEU 34 N 8.41 0.57 -9.59 3.68 3.38 -1.52 -0.59 115.31 119.64 1qf3 h LEU 34 Ca -0.33 -0.40 -0.59 0.00 0.09 0.00 0.00 57.88 56.65 1qf3 h LEU 34 Cb 1.16 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1qf3 h LEU 34 CO 0.61 1.17 -0.62 0.42 0.09 0.00 0.00 178.44 180.10 1qf3 s THR 35 N -3.51 2.51 -0.29 0.22 -4.23 -1.26 -2.97 115.64 106.12 1qf3 s THR 35 Ca -0.06 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.35 1qf3 s THR 35 Cb 0.10 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1qf3 s THR 35 CO 0.86 -0.18 0.16 0.21 -0.54 0.00 0.00 174.62 175.13 1qf3 s ASN 36 N -3.71 5.74 0.31 3.99 3.84 -1.26 -4.91 114.94 118.94 1qf3 s ASN 36 Ca 0.35 -0.20 0.22 0.00 0.21 0.00 0.00 52.86 53.44 1qf3 s ASN 36 Cb 0.01 -2.06 1.12 0.00 -0.55 0.00 0.00 41.25 39.78 1qf3 s ASN 36 CO 0.19 -0.10 1.68 0.18 -2.79 0.00 0.00 177.10 176.26 1qf3 n LEU 37 N 5.02 0.59 -0.88 3.21 4.32 -1.26 -2.58 117.00 125.43 1qf3 n LEU 37 Ca -0.14 0.74 0.07 0.00 -0.02 0.00 0.00 56.01 56.66 1qf3 n LEU 37 Cb 0.51 -0.77 0.21 0.00 -1.62 0.00 0.00 43.42 41.76 1qf3 n LEU 37 CO 0.33 -0.85 0.68 0.59 -1.22 0.00 0.00 177.39 176.92 1qf3 n ASN 38 N -2.26 3.33 -4.41 -1.43 3.02 -1.26 -4.99 115.26 107.26 1qf3 n ASN 38 Ca -0.01 -2.07 -0.31 0.00 -0.03 0.00 0.00 54.58 52.16 1qf3 n ASN 38 Cb 0.09 -0.33 -0.14 0.00 -0.61 0.00 0.00 39.78 38.79 1qf3 n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qf3 s LYS 39 N -1.13 2.18 0.26 3.52 1.02 -1.06 -5.11 119.74 119.42 1qf3 s LYS 39 Ca 0.32 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 55.12 1qf3 s LYS 39 Cb 0.18 -2.18 -0.09 0.00 -0.52 0.00 0.00 37.83 35.21 1qf3 s LYS 39 CO 0.20 0.57 1.03 0.08 -0.92 0.00 0.00 175.35 176.32 1qf3 s VAL 40 N -0.77 3.74 -1.57 3.17 1.01 -1.26 -3.58 120.40 121.15 1qf3 s VAL 40 Ca 0.12 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 1qf3 s VAL 40 Cb -0.10 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.26 1qf3 s VAL 40 CO 0.02 0.41 0.75 0.59 0.00 0.00 0.00 175.10 176.87 1qf3 n ASN 41 N 1.39 -2.93 -4.75 3.32 5.03 -1.17 -4.90 115.26 111.25 1qf3 n ASN 41 Ca -0.01 -0.94 -0.37 0.00 0.87 0.00 0.00 54.58 54.13 1qf3 n ASN 41 Cb 0.46 -3.20 0.03 0.00 -1.02 0.00 0.00 39.78 36.05 1qf3 n ASN 41 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1qf3 s SER 42 N -3.60 5.36 -0.13 6.41 0.15 -1.23 -4.27 113.70 116.39 1qf3 s SER 42 Ca 0.52 2.54 -0.07 0.00 0.70 0.00 0.00 55.95 59.63 1qf3 s SER 42 Cb -0.27 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.47 1qf3 s SER 42 CO 0.89 -1.49 0.32 -0.69 1.20 0.00 0.00 173.24 173.46 1qf3 s VAL 43 N -1.45 -0.03 -0.01 4.45 1.01 -1.26 -1.46 120.40 121.65 1qf3 s VAL 43 Ca 0.73 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 1qf3 s VAL 43 Cb -0.35 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1qf3 s VAL 43 CO 0.40 0.04 0.03 -0.83 0.00 0.00 0.00 175.10 174.74 1qf3 s GLY 44 N 1.18 -0.01 0.01 4.51 0.00 -0.93 -0.72 107.32 111.36 1qf3 s GLY 44 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 1qf3 s GLY 44 CO -0.09 0.04 0.05 0.50 0.00 0.00 0.00 173.10 173.60 1qf3 s ARG 45 N -0.08 0.36 -0.04 2.90 0.52 -0.08 -1.62 118.95 120.91 1qf3 s ARG 45 Ca -0.01 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 1qf3 s ARG 45 Cb -0.01 0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.62 1qf3 s ARG 45 CO 0.00 -0.07 -0.07 0.54 0.02 0.00 0.00 175.30 175.72 1qf3 s VAL 46 N -1.26 0.69 0.14 3.52 0.11 -0.49 -1.03 120.40 122.07 1qf3 s VAL 46 Ca -0.14 -0.24 0.07 0.00 -2.93 0.00 0.00 61.98 58.74 1qf3 s VAL 46 Cb -0.08 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 1qf3 s VAL 46 CO 0.00 0.25 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.11 1qf3 s LEU 47 N 0.66 2.43 -0.18 2.54 1.43 -0.47 -1.25 118.68 123.84 1qf3 s LEU 47 Ca -0.10 -0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 51.87 1qf3 s LEU 47 Cb -0.13 -0.63 -0.00 0.00 0.03 0.00 0.00 46.19 45.46 1qf3 s LEU 47 CO 0.01 -0.12 0.98 -0.47 0.23 0.00 0.00 176.35 176.98 1qf3 s TYR 48 N -2.21 3.41 0.25 0.29 5.04 -0.10 -1.02 117.35 123.02 1qf3 s TYR 48 Ca 0.12 1.45 -0.05 0.00 -2.44 0.00 0.00 57.07 56.15 1qf3 s TYR 48 Cb -0.05 -3.18 0.48 0.00 0.35 0.00 0.00 41.96 39.56 1qf3 s TYR 48 CO 0.04 -0.35 1.68 0.00 -1.34 0.00 0.00 175.55 175.58 1qf3 h ALA 49 N 7.33 0.96 -2.34 3.97 0.00 -1.04 -3.42 119.26 124.72 1qf3 h ALA 49 Ca -0.25 0.18 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1qf3 h ALA 49 Cb 1.10 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1qf3 h ALA 49 CO 0.91 -0.36 0.56 1.41 0.00 0.00 0.00 179.25 181.77 1qf3 s MET 50 N -6.04 4.43 0.15 0.00 0.00 -1.26 -5.00 119.30 111.58 1qf3 s MET 50 Ca -0.13 1.53 -0.30 0.00 0.00 0.00 0.00 55.69 56.79 1qf3 s MET 50 Cb 0.22 -3.50 -0.07 0.00 0.00 0.00 0.00 34.83 31.47 1qf3 s MET 50 CO 0.76 -0.28 1.17 -1.25 0.00 0.00 0.00 175.02 175.42 1qf3 s PRO 51 N 1.71 4.50 -0.14 4.11 0.04 -1.26 -4.85 135.00 139.11 1qf3 s PRO 51 Ca 0.53 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 63.29 1qf3 s PRO 51 Cb -0.22 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1qf3 s PRO 51 CO 0.23 -0.09 0.17 0.08 0.04 0.00 0.00 177.00 177.43 1qf3 s VAL 52 N 0.16 5.43 -0.63 -0.36 1.01 0.47 -4.86 120.40 121.63 1qf3 s VAL 52 Ca 0.53 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.57 1qf3 s VAL 52 Cb -0.31 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1qf3 s VAL 52 CO 0.34 0.55 0.90 -0.60 0.00 0.00 0.00 175.10 176.30 1qf3 s ARG 53 N -0.55 3.12 0.19 2.72 3.52 -1.26 -1.15 118.95 125.54 1qf3 s ARG 53 Ca 0.14 -0.85 0.25 0.00 -0.13 0.00 0.00 55.73 55.14 1qf3 s ARG 53 Cb -0.12 -4.21 0.62 0.00 -1.56 0.00 0.00 34.95 29.68 1qf3 s ARG 53 CO 0.03 -1.71 1.60 -0.84 -0.81 0.00 0.00 175.30 173.58 1qf3 h ILE 54 N 5.96 0.00 -2.45 4.11 3.07 -1.51 -3.46 117.51 123.23 1qf3 h ILE 54 Ca -0.29 -0.51 -0.05 0.00 1.55 0.00 0.00 64.86 65.56 1qf3 h ILE 54 Cb 1.07 1.36 -0.16 0.00 -0.27 0.00 0.00 36.82 38.82 1qf3 h ILE 54 CO 1.15 0.00 0.16 -1.66 -1.05 0.00 0.00 178.15 176.74 1qf3 s TRP 55 N -3.13 -0.57 -0.12 0.16 1.48 -1.24 -0.60 118.94 114.92 1qf3 s TRP 55 Ca 0.09 0.76 0.01 0.00 -1.06 0.00 0.00 56.10 55.90 1qf3 s TRP 55 Cb 0.12 0.43 -0.01 0.00 -1.16 0.00 0.00 33.47 32.85 1qf3 s TRP 55 CO 0.65 -0.68 -0.16 0.45 -4.06 0.00 0.00 176.95 173.14 1qf3 s SER 56 N -1.78 3.75 0.44 -2.66 0.15 -0.76 -4.65 113.70 108.19 1qf3 s SER 56 Ca -0.07 -0.39 0.24 0.00 0.70 0.00 0.00 55.95 56.44 1qf3 s SER 56 Cb -0.01 -1.55 0.65 0.00 -1.71 0.00 0.00 66.02 63.40 1qf3 s SER 56 CO 0.01 0.16 1.71 0.77 1.20 0.00 0.00 173.24 177.10 1qf3 h SER 57 N 6.70 0.00 0.23 5.45 4.64 -1.95 0.60 113.55 129.21 1qf3 h SER 57 Ca -0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1qf3 h SER 57 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1qf3 h SER 57 CO 0.53 0.13 -0.11 0.00 -0.87 0.00 0.00 176.83 176.51 1qf3 h ALA 58 N 1.87 -0.31 0.05 5.18 0.00 -1.98 -3.39 119.26 120.69 1qf3 h ALA 58 Ca -0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 1qf3 h ALA 58 Cb 0.90 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1qf3 h ALA 58 CO 0.02 -0.42 -1.40 1.79 0.00 0.00 0.00 179.25 179.24 1qf3 h THR 59 N -0.80 0.91 0.00 0.00 1.35 -1.98 -3.49 112.91 108.90 1qf3 h THR 59 Ca -0.03 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 1qf3 h THR 59 Cb 0.51 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1qf3 h THR 59 CO 0.05 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1qf3 n GLY 60 N 1.62 0.71 3.81 5.82 0.00 0.20 -5.07 105.19 112.29 1qf3 n GLY 60 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1qf3 n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qf3 s ASN 61 N -1.81 6.31 0.09 1.61 0.02 -1.25 -4.84 114.94 115.07 1qf3 s ASN 61 Ca 0.00 1.79 0.10 0.00 -1.02 0.00 0.00 52.86 53.73 1qf3 s ASN 61 Cb 0.00 -2.54 -0.03 0.00 0.02 0.00 0.00 41.25 38.70 1qf3 s ASN 61 CO 0.00 -0.80 -0.25 -0.69 0.02 0.00 0.00 177.10 175.37 1qf3 s VAL 62 N -2.28 2.31 0.56 1.60 1.01 -1.26 -1.82 120.40 120.51 1qf3 s VAL 62 Ca 0.64 -1.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1qf3 s VAL 62 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1qf3 s VAL 62 CO 0.26 0.22 0.89 0.00 0.00 0.00 0.00 175.10 176.47 1qf3 s ALA 63 N -0.96 3.28 0.12 5.51 0.00 0.23 -4.73 121.76 125.22 1qf3 s ALA 63 Ca 0.13 -0.48 0.08 0.00 0.00 0.00 0.00 51.96 51.69 1qf3 s ALA 63 Cb -0.10 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1qf3 s ALA 63 CO 0.05 -0.62 -0.11 -1.12 0.00 0.00 0.00 175.76 173.96 1qf3 s SER 64 N -4.20 4.31 0.03 0.00 0.01 -0.91 -4.28 113.70 108.66 1qf3 s SER 64 Ca 0.52 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 57.20 1qf3 s SER 64 Cb -0.11 -0.78 0.02 0.00 0.21 0.00 0.00 66.02 65.36 1qf3 s SER 64 CO 0.47 0.16 0.27 0.72 0.41 0.00 0.00 173.24 175.27 1qf3 s PHE 65 N -1.33 -0.08 -0.08 2.43 -0.12 -1.05 -1.57 117.98 116.19 1qf3 s PHE 65 Ca 0.22 -0.03 -0.00 0.00 -0.05 0.00 0.00 56.93 57.07 1qf3 s PHE 65 Cb -0.10 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.37 1qf3 s PHE 65 CO 0.14 -0.45 -0.05 -1.17 -0.05 0.00 0.00 175.22 173.63 1qf3 s LEU 66 N -1.88 1.09 0.00 -1.99 2.96 -0.58 -1.40 118.68 116.88 1qf3 s LEU 66 Ca -0.07 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1qf3 s LEU 66 Cb -0.02 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 1qf3 s LEU 66 CO -0.02 -0.11 0.02 0.28 -1.32 0.00 0.00 176.35 175.21 1qf3 s THR 67 N 1.49 0.05 -0.01 3.68 -1.32 -0.62 -2.19 115.64 116.72 1qf3 s THR 67 Ca -0.01 -0.45 -0.02 0.00 -1.21 0.00 0.00 61.69 60.00 1qf3 s THR 67 Cb -0.13 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.67 1qf3 s THR 67 CO -0.04 -0.25 0.04 -0.94 -2.21 0.00 0.00 174.62 171.23 1qf3 s SER 68 N -0.74 0.01 0.12 8.08 1.04 -0.85 -0.36 113.70 121.00 1qf3 s SER 68 Ca -0.08 -0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.18 1qf3 s SER 68 Cb -0.05 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1qf3 s SER 68 CO -0.00 -0.10 0.35 0.72 0.98 0.00 0.00 173.24 175.19 1qf3 s PHE 69 N -0.36 -0.08 0.01 5.02 -0.12 -0.68 -1.46 117.98 120.30 1qf3 s PHE 69 Ca -0.04 -0.27 0.05 0.00 -0.05 0.00 0.00 56.93 56.62 1qf3 s PHE 69 Cb -0.03 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 1qf3 s PHE 69 CO -0.00 -0.67 -0.16 -1.54 -0.05 0.00 0.00 175.22 172.79 1qf3 s SER 70 N -2.83 1.94 0.26 1.98 1.04 -1.14 -1.12 113.70 113.83 1qf3 s SER 70 Ca 0.04 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1qf3 s SER 70 Cb 0.03 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1qf3 s SER 70 CO -0.11 0.16 0.15 0.72 0.98 0.00 0.00 173.24 175.15 1qf3 s PHE 71 N -0.53 1.43 -0.11 5.02 -0.12 -0.78 -1.26 117.98 121.64 1qf3 s PHE 71 Ca 0.06 -1.38 -0.09 0.00 -0.05 0.00 0.00 56.93 55.47 1qf3 s PHE 71 Cb -0.07 -0.73 0.03 0.00 -0.63 0.00 0.00 43.02 41.62 1qf3 s PHE 71 CO 0.00 -0.58 0.28 -2.00 -0.05 0.00 0.00 175.22 172.87 1qf3 s GLU 72 N -3.95 0.30 -0.02 1.99 2.12 -0.81 -1.16 118.70 117.18 1qf3 s GLU 72 Ca 0.38 0.43 0.07 0.00 0.36 0.00 0.00 54.97 56.20 1qf3 s GLU 72 Cb 0.06 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 1qf3 s GLU 72 CO 0.16 -0.07 -0.22 -1.64 -0.54 0.00 0.00 175.26 172.96 1qf3 s MET 73 N 0.40 1.74 -0.00 4.30 -1.94 -1.26 -0.79 119.30 121.75 1qf3 s MET 73 Ca -0.02 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 1qf3 s MET 73 Cb -0.04 -1.69 0.00 0.00 2.01 0.00 0.00 34.83 35.12 1qf3 s MET 73 CO -0.02 0.46 -0.00 0.21 -0.01 0.00 0.00 175.02 175.66 1qf3 s LYS 74 N -0.52 0.06 0.33 2.03 2.20 -0.86 -0.63 119.74 122.36 1qf3 s LYS 74 Ca 0.08 -0.01 -0.27 0.00 -0.36 0.00 0.00 55.97 55.42 1qf3 s LYS 74 Cb -0.08 -0.09 -0.09 0.00 -1.51 0.00 0.00 37.83 36.06 1qf3 s LYS 74 CO -0.01 -0.00 1.08 -0.51 -0.36 0.00 0.00 175.35 175.55 1qf3 s ASP 75 N 0.10 7.03 0.22 1.43 1.11 -1.26 -0.93 116.67 124.37 1qf3 s ASP 75 Ca -0.01 2.18 0.11 0.00 0.18 0.00 0.00 52.55 55.01 1qf3 s ASP 75 Cb -0.02 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1qf3 s ASP 75 CO -0.00 -0.31 -0.17 0.27 1.18 0.00 0.00 175.17 176.14 1qf3 s ILE 76 N -1.37 2.72 0.34 0.77 -4.36 -1.26 -4.90 121.20 113.13 1qf3 s ILE 76 Ca 0.50 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 1qf3 s ILE 76 Cb -0.28 -2.36 -0.11 0.00 1.25 0.00 0.00 42.46 40.96 1qf3 s ILE 76 CO 0.35 -0.22 1.42 -0.75 0.24 0.00 0.00 174.94 175.99 1qf3 s LYS 77 N -3.04 4.23 0.00 0.37 2.20 -1.26 -3.52 119.74 118.72 1qf3 s LYS 77 Ca 0.25 2.40 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1qf3 s LYS 77 Cb -0.07 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1qf3 s LYS 77 CO 0.14 -0.39 0.00 -0.25 -0.36 0.00 0.00 175.35 174.49 1qf3 n ASP 78 N 0.95 0.00 -4.73 1.43 8.00 -1.26 -4.97 116.55 115.97 1qf3 n ASP 78 Ca 0.02 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1qf3 n ASP 78 Cb 0.40 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 1qf3 n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1qf3 s TYR 79 N -1.38 3.15 0.19 1.24 2.02 -1.23 -5.05 117.35 116.29 1qf3 s TYR 79 Ca 0.00 0.11 -0.30 0.00 -0.37 0.00 0.00 57.07 56.51 1qf3 s TYR 79 Cb 0.00 -1.67 -0.08 0.00 -0.40 0.00 0.00 41.96 39.81 1qf3 s TYR 79 CO 0.00 0.50 1.28 -0.51 -1.57 0.00 0.00 175.55 175.25 1qf3 s ASP 80 N -1.86 6.95 -0.46 2.29 1.11 -0.78 -4.64 116.67 119.28 1qf3 s ASP 80 Ca 0.23 2.35 -0.28 0.00 0.18 0.00 0.00 52.55 55.03 1qf3 s ASP 80 Cb -0.12 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 41.26 1qf3 s ASP 80 CO 0.15 -0.48 1.60 -2.84 1.18 0.00 0.00 175.17 174.77 1qf3 s PRO 81 N -0.16 3.28 0.18 8.23 0.02 -1.26 -0.54 135.00 144.75 1qf3 s PRO 81 Ca 0.55 0.91 -0.21 0.00 0.02 0.00 0.00 61.00 62.27 1qf3 s PRO 81 Cb -0.35 -4.16 0.05 0.00 0.02 0.00 0.00 34.50 30.06 1qf3 s PRO 81 CO 0.38 -1.93 0.59 0.00 -0.33 0.00 0.00 177.00 175.70 1qf3 s ALA 82 N 6.60 -1.39 -0.29 -1.55 0.00 -1.26 -4.71 121.76 119.16 1qf3 s ALA 82 Ca 0.65 0.22 0.13 0.00 0.00 0.00 0.00 51.96 52.96 1qf3 s ALA 82 Cb -0.15 0.86 -0.17 0.00 0.00 0.00 0.00 23.12 23.65 1qf3 s ALA 82 CO 0.29 -0.80 0.40 -0.25 0.00 0.00 0.00 175.76 175.41 1qf3 n ASP 83 N -0.37 1.35 0.00 0.00 9.92 -0.58 -3.38 116.55 123.49 1qf3 n ASP 83 Ca -0.14 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 1qf3 n ASP 83 Cb 0.64 1.32 0.00 0.00 -0.64 0.00 0.00 41.12 42.43 1qf3 n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qf3 n GLY 84 N 1.54 0.90 3.35 0.44 0.00 -1.26 -2.16 105.19 108.00 1qf3 n GLY 84 Ca -0.00 -2.04 -0.22 0.00 0.00 0.00 0.00 46.02 43.76 1qf3 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qf3 s ILE 85 N -1.20 1.89 -0.10 -0.61 1.01 -1.07 -3.70 121.20 117.44 1qf3 s ILE 85 Ca 0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 1qf3 s ILE 85 Cb 0.00 -1.89 0.05 0.00 0.01 0.00 0.00 42.46 40.63 1qf3 s ILE 85 CO 0.00 -0.30 0.21 -0.51 0.00 0.00 0.00 174.94 174.35 1qf3 s ILE 86 N -2.02 -0.14 -0.22 2.92 2.07 -0.47 -0.93 121.20 122.41 1qf3 s ILE 86 Ca 0.17 0.21 -0.19 0.00 -1.41 0.00 0.00 60.65 59.42 1qf3 s ILE 86 Cb -0.06 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 1qf3 s ILE 86 CO 0.07 0.09 0.57 0.12 -1.91 0.00 0.00 174.94 173.88 1qf3 s PHE 87 N 1.60 3.34 0.19 3.50 5.36 -0.38 -1.77 117.98 129.82 1qf3 s PHE 87 Ca -0.06 0.81 0.01 0.00 -0.96 0.00 0.00 56.93 56.74 1qf3 s PHE 87 Cb -0.11 -2.75 -0.05 0.00 -0.34 0.00 0.00 43.02 39.77 1qf3 s PHE 87 CO -0.08 -0.19 0.03 -0.59 -1.46 0.00 0.00 175.22 172.94 1qf3 s PHE 88 N 1.97 1.27 -0.05 10.12 -0.71 -0.03 -0.72 117.98 129.83 1qf3 s PHE 88 Ca 0.25 -1.08 0.01 0.00 -1.04 0.00 0.00 56.93 55.08 1qf3 s PHE 88 Cb -0.16 -0.73 0.02 0.00 -1.21 0.00 0.00 43.02 40.95 1qf3 s PHE 88 CO 0.10 -0.27 -0.07 0.42 -1.34 0.00 0.00 175.22 174.05 1qf3 s ILE 89 N -3.72 0.73 0.26 -4.49 1.01 0.84 -2.20 121.20 113.63 1qf3 s ILE 89 Ca 0.28 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 1qf3 s ILE 89 Cb 0.07 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 1qf3 s ILE 89 CO 0.07 0.27 0.39 0.00 0.00 0.00 0.00 174.94 175.66 1qf3 s ALA 90 N 0.88 0.37 0.85 9.38 0.00 -0.81 -1.50 121.76 130.93 1qf3 s ALA 90 Ca -0.11 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 1qf3 s ALA 90 Cb -0.15 1.17 0.08 0.00 0.00 0.00 0.00 23.12 24.22 1qf3 s ALA 90 CO 0.01 -0.77 0.97 -2.30 0.00 0.00 0.00 175.76 173.67 1qf3 n PRO 91 N -0.40 -0.05 0.24 0.00 -0.02 -1.26 -0.73 135.00 132.77 1qf3 n PRO 91 Ca -0.00 0.05 0.16 0.00 -2.02 0.00 0.00 63.50 61.70 1qf3 n PRO 91 Cb 0.63 -2.25 0.81 0.00 -0.02 0.00 0.00 33.50 32.67 1qf3 n PRO 91 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1qf3 h GLU 92 N -1.22 0.00 -0.57 -0.52 4.11 -1.86 -1.94 114.58 112.58 1qf3 h GLU 92 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1qf3 h GLU 92 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1qf3 h GLU 92 CO 0.42 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.10 1qf3 n ASP 93 N -2.69 3.21 -4.71 3.06 5.68 -1.26 -4.94 116.55 114.89 1qf3 n ASP 93 Ca -0.01 -2.17 -0.43 0.00 -0.50 0.00 0.00 54.79 51.68 1qf3 n ASP 93 Cb 0.13 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.65 1qf3 n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1qf3 n THR 94 N 0.88 0.15 -4.13 2.12 5.66 -0.73 -5.02 114.28 113.21 1qf3 n THR 94 Ca 0.18 -0.04 -0.09 0.00 -3.05 0.00 0.00 64.05 61.05 1qf3 n THR 94 Cb 0.57 -1.88 -0.10 0.00 -1.55 0.00 0.00 70.33 67.37 1qf3 n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qf3 s GLN 95 N 0.88 0.72 0.20 1.09 -1.52 -1.26 -5.08 119.66 114.68 1qf3 s GLN 95 Ca 0.74 -1.23 -0.32 0.00 -1.95 0.00 0.00 55.36 52.61 1qf3 s GLN 95 Cb -0.54 -0.06 -0.12 0.00 -0.22 0.00 0.00 33.01 32.07 1qf3 s GLN 95 CO 0.36 -0.05 1.74 -0.89 -0.25 0.00 0.00 175.29 176.20 1qf3 n ILE 96 N 0.18 0.04 -1.57 1.08 5.41 -1.26 -4.86 119.36 118.38 1qf3 n ILE 96 Ca -0.14 -0.01 -0.47 0.00 1.00 0.00 0.00 62.75 63.13 1qf3 n ILE 96 Cb 0.60 -2.00 -0.03 0.00 -0.71 0.00 0.00 39.64 37.50 1qf3 n ILE 96 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1qf3 n PRO 97 N 4.17 1.15 -1.89 0.38 -0.02 -1.26 -4.87 135.00 132.66 1qf3 n PRO 97 Ca 0.16 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1qf3 n PRO 97 Cb 0.35 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1qf3 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qf3 s ALA 98 N -0.63 3.69 -0.61 3.55 0.00 -1.26 -2.08 121.76 124.41 1qf3 s ALA 98 Ca 0.66 1.23 -0.00 0.00 0.00 0.00 0.00 51.96 53.85 1qf3 s ALA 98 Cb -0.79 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1qf3 s ALA 98 CO 0.56 -1.16 0.03 0.41 0.00 0.00 0.00 175.76 175.60 1qf3 n GLY 99 N 4.06 0.09 3.68 0.00 0.00 -1.26 -4.96 105.19 106.80 1qf3 n GLY 99 Ca 0.16 -0.57 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 1qf3 n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qf3 n SER 100 N 0.56 3.23 -0.56 1.61 2.88 -0.89 -4.88 113.62 115.58 1qf3 n SER 100 Ca -0.08 1.08 0.10 0.00 -1.33 0.00 0.00 58.87 58.64 1qf3 n SER 100 Cb 0.56 -1.44 0.37 0.00 -0.75 0.00 0.00 64.21 62.95 1qf3 n SER 100 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1qf3 n ILE 101 N 3.56 0.22 -2.58 2.46 -5.35 -1.26 -5.02 119.36 111.38 1qf3 n ILE 101 Ca 0.17 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1qf3 n ILE 101 Cb 0.30 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1qf3 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qf3 n GLY 102 N 1.13 3.16 7.00 3.28 0.00 -1.26 -4.68 105.19 113.82 1qf3 n GLY 102 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1qf3 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf3 n GLY 103 N 0.00 2.78 0.00 -0.02 0.00 0.17 -2.62 105.19 105.50 1qf3 n GLY 103 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1qf3 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qf3 n GLY 104 N 0.00 -0.29 0.21 -0.02 0.00 -1.26 -2.18 105.19 101.65 1qf3 n GLY 104 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1qf3 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qf3 n THR 105 N -0.99 0.00 -1.31 2.61 -2.24 -1.08 -4.94 114.28 106.32 1qf3 n THR 105 Ca 0.07 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 1qf3 n THR 105 Cb 0.03 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1qf3 n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qf3 n LEU 106 N -0.81 -0.74 -0.28 3.22 4.77 -0.93 -1.67 117.00 120.57 1qf3 n LEU 106 Ca 0.10 0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1qf3 n LEU 106 Cb 0.36 -2.27 -0.02 0.00 -2.33 0.00 0.00 43.42 39.16 1qf3 n LEU 106 CO 0.29 -0.83 -0.03 0.61 -1.33 0.00 0.00 177.39 176.09 1qf3 n GLY 107 N -0.06 0.66 0.00 -0.72 0.00 -1.26 -3.90 105.19 99.91 1qf3 n GLY 107 Ca -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1qf3 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qf3 n VAL 108 N -2.83 0.00 -4.50 1.61 0.24 -0.67 -4.50 118.33 107.69 1qf3 n VAL 108 Ca -0.04 -0.27 -0.24 0.00 -2.04 0.00 0.00 64.34 61.76 1qf3 n VAL 108 Cb 0.15 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.26 1qf3 n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1qf3 s SER 109 N -0.90 2.66 0.57 -1.34 1.04 -1.16 -4.58 113.70 109.99 1qf3 s SER 109 Ca 0.00 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1qf3 s SER 109 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1qf3 s SER 109 CO 0.00 -0.72 0.00 -0.90 0.98 0.00 0.00 173.24 172.60 1qf3 n ASP 110 N -0.92 0.00 -0.11 7.02 5.68 0.02 -4.82 116.55 123.42 1qf3 n ASP 110 Ca -0.05 -0.71 -0.04 0.00 -0.50 0.00 0.00 54.79 53.49 1qf3 n ASP 110 Cb 0.66 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.80 1qf3 n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1qf3 h THR 111 N -0.57 1.24 0.00 2.12 2.02 -1.94 -1.57 112.91 114.21 1qf3 h THR 111 Ca 0.00 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1qf3 h THR 111 Cb 0.00 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1qf3 h THR 111 CO 0.00 0.35 0.00 0.11 0.37 0.00 0.00 175.52 176.35 1qf3 h LYS 112 N 0.75 0.00 0.00 6.66 1.79 -1.99 -3.46 116.57 120.33 1qf3 h LYS 112 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1qf3 h LYS 112 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1qf3 h LYS 112 CO 0.02 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 1qf3 n GLY 113 N 0.05 0.78 3.94 3.86 0.00 -0.59 -4.95 105.19 108.27 1qf3 n GLY 113 Ca 0.02 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1qf3 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qf3 s ALA 114 N -2.00 3.98 -0.00 4.61 0.00 -1.26 -1.02 121.76 126.06 1qf3 s ALA 114 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1qf3 s ALA 114 Cb 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.37 1qf3 s ALA 114 CO 0.00 0.61 0.59 0.41 0.00 0.00 0.00 175.76 177.37 1qf3 n GLY 115 N -0.34 0.47 2.94 0.00 0.00 -1.08 -0.80 105.19 106.38 1qf3 n GLY 115 Ca -0.07 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1qf3 n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qf3 s HIS 116 N -2.69 3.18 0.11 1.61 2.46 -1.26 -4.52 115.29 114.19 1qf3 s HIS 116 Ca 0.14 -3.02 -0.26 0.00 0.47 0.00 0.00 55.06 52.39 1qf3 s HIS 116 Cb -0.00 -2.73 0.08 0.00 -0.13 0.00 0.00 32.58 29.79 1qf3 s HIS 116 CO -0.00 -0.81 1.03 -0.59 -2.47 0.00 0.00 174.74 171.91 1qf3 s PHE 117 N 0.16 -0.11 -0.02 3.88 -0.71 -1.26 -4.49 117.98 115.43 1qf3 s PHE 117 Ca 0.15 -0.15 0.01 0.00 -1.04 0.00 0.00 56.93 55.90 1qf3 s PHE 117 Cb -0.24 0.62 0.01 0.00 -1.21 0.00 0.00 43.02 42.20 1qf3 s PHE 117 CO -0.03 -0.70 -0.01 0.08 -1.34 0.00 0.00 175.22 173.22 1qf3 s VAL 118 N -3.09 0.20 0.13 -2.49 1.01 -0.56 0.49 120.40 116.09 1qf3 s VAL 118 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 1qf3 s VAL 118 Cb 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 36.23 1qf3 s VAL 118 CO 0.01 0.11 1.07 -0.83 0.00 0.00 0.00 175.10 175.45 1qf3 s GLY 119 N 0.51 -0.07 -0.17 4.51 0.00 -0.36 -0.11 107.32 111.63 1qf3 s GLY 119 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1qf3 s GLY 119 CO -0.01 1.73 -0.17 0.14 0.00 0.00 0.00 173.10 174.78 1qf3 s VAL 120 N -2.50 2.37 0.02 1.40 1.01 0.10 -0.33 120.40 122.48 1qf3 s VAL 120 Ca 0.19 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1qf3 s VAL 120 Cb -0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1qf3 s VAL 120 CO 0.03 0.52 0.02 -1.83 0.00 0.00 0.00 175.10 173.84 1qf3 s GLU 121 N 1.07 2.80 -0.69 2.72 -1.05 -0.44 -1.26 118.70 121.85 1qf3 s GLU 121 Ca -0.01 -0.63 0.04 0.00 -0.15 0.00 0.00 54.97 54.22 1qf3 s GLU 121 Cb -0.14 -2.69 0.17 0.00 -0.44 0.00 0.00 34.13 31.03 1qf3 s GLU 121 CO -0.06 0.61 0.49 -0.06 0.95 0.00 0.00 175.26 177.19 1qf3 s PHE 122 N -1.17 3.55 -0.27 4.83 0.08 -0.10 -1.75 117.98 123.15 1qf3 s PHE 122 Ca 0.22 -3.29 -0.27 0.00 0.12 0.00 0.00 56.93 53.71 1qf3 s PHE 122 Cb -0.12 -2.78 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 1qf3 s PHE 122 CO 0.13 -0.59 0.97 0.34 -0.10 0.00 0.00 175.22 175.97 1qf3 s ASP 123 N -1.16 6.94 -0.22 1.36 -1.08 -0.65 -2.60 116.67 119.25 1qf3 s ASP 123 Ca 0.24 1.12 0.15 0.00 -0.52 0.00 0.00 52.55 53.54 1qf3 s ASP 123 Cb -0.08 -2.50 0.71 0.00 -1.46 0.00 0.00 42.92 39.59 1qf3 s ASP 123 CO -0.14 -0.68 1.63 0.35 0.52 0.00 0.00 175.17 176.85 1qf3 n THR 124 N 5.48 2.61 -3.66 1.71 -2.24 -0.92 -2.25 114.28 115.00 1qf3 n THR 124 Ca 0.09 -1.62 -0.08 0.00 -2.27 0.00 0.00 64.05 60.18 1qf3 n THR 124 Cb 0.47 -0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 1qf3 n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1qf3 s TYR 125 N -2.82 -0.92 -0.80 4.78 6.14 -1.26 -4.69 117.35 117.79 1qf3 s TYR 125 Ca 0.50 1.83 -0.26 0.00 0.64 0.00 0.00 57.07 59.78 1qf3 s TYR 125 Cb 0.39 0.51 0.03 0.00 0.42 0.00 0.00 41.96 43.31 1qf3 s TYR 125 CO 0.13 -0.48 1.36 0.45 0.64 0.00 0.00 175.55 177.65 1qf3 s SER 126 N 1.77 6.17 -0.57 4.32 0.15 -1.26 -4.97 113.70 119.32 1qf3 s SER 126 Ca -0.09 -0.63 -0.20 0.00 0.70 0.00 0.00 55.95 55.74 1qf3 s SER 126 Cb -0.07 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 1qf3 s SER 126 CO -0.17 -1.81 0.72 0.20 1.20 0.00 0.00 173.24 173.38 1qf3 s ASN 127 N 4.29 6.20 0.54 5.45 -0.87 -1.26 -4.93 114.94 124.36 1qf3 s ASN 127 Ca 0.40 -1.14 0.22 0.00 -1.57 0.00 0.00 52.86 50.77 1qf3 s ASN 127 Cb -0.06 -2.32 1.40 0.00 -0.02 0.00 0.00 41.25 40.25 1qf3 s ASN 127 CO 0.10 -1.08 2.08 0.77 -2.57 0.00 0.00 177.10 176.40 1qf3 h SER 128 N 9.17 0.00 0.71 -1.22 4.64 -1.93 -1.24 113.55 123.67 1qf3 h SER 128 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1qf3 h SER 128 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1qf3 h SER 128 CO 1.06 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 178.07 1qf3 h GLU 129 N 0.00 0.00 -0.30 4.77 9.09 -1.97 -1.69 114.58 124.48 1qf3 h GLU 129 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.53 1qf3 h GLU 129 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 1qf3 h GLU 129 CO -0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1qf3 n TYR 130 N -2.95 0.52 -3.51 2.06 4.01 -0.51 -4.98 117.16 111.81 1qf3 n TYR 130 Ca -0.00 -0.59 -0.21 0.00 -0.16 0.00 0.00 57.90 56.94 1qf3 n TYR 130 Cb 0.23 -0.09 0.08 0.00 -0.31 0.00 0.00 39.34 39.25 1qf3 n TYR 130 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1qf3 n ASN 131 N 0.19 -5.25 -4.78 7.72 3.02 -0.64 -4.25 115.26 111.27 1qf3 n ASN 131 Ca 0.13 -0.53 -0.36 0.00 -0.03 0.00 0.00 54.58 53.79 1qf3 n ASN 131 Cb 0.52 -4.86 -0.01 0.00 -0.61 0.00 0.00 39.78 34.82 1qf3 n ASN 131 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1qf3 s ASP 132 N -3.53 6.07 0.74 6.41 1.01 -0.98 -4.89 116.67 121.49 1qf3 s ASP 132 Ca 0.43 2.17 -0.12 0.00 0.71 0.00 0.00 52.55 55.74 1qf3 s ASP 132 Cb -0.19 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.19 1qf3 s ASP 132 CO 0.70 -0.98 1.10 -2.84 0.21 0.00 0.00 175.17 173.36 1qf3 s PRO 133 N -2.99 2.42 0.00 8.23 0.02 -1.26 -4.78 135.00 136.64 1qf3 s PRO 133 Ca 0.67 1.24 0.16 0.00 0.02 0.00 0.00 61.00 63.09 1qf3 s PRO 133 Cb -0.24 -1.91 0.88 0.00 0.02 0.00 0.00 34.50 33.25 1qf3 s PRO 133 CO 0.29 -1.53 1.37 -0.35 -0.33 0.00 0.00 177.00 176.45 1qf3 n PRO 134 N -3.18 0.40 -4.42 5.54 -0.04 -1.26 -4.56 135.00 127.48 1qf3 n PRO 134 Ca 0.09 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.38 1qf3 n PRO 134 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1qf3 n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1qf3 s THR 135 N -2.19 0.51 0.68 0.52 -4.23 -1.26 -4.92 115.64 104.76 1qf3 s THR 135 Ca 0.21 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1qf3 s THR 135 Cb 0.11 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1qf3 s THR 135 CO 0.20 0.00 1.27 -1.81 -0.54 0.00 0.00 174.62 173.73 1qf3 s ASP 136 N -3.48 4.40 0.22 3.99 1.01 -1.26 -4.82 116.67 116.73 1qf3 s ASP 136 Ca 0.31 2.54 -0.22 0.00 0.71 0.00 0.00 52.55 55.89 1qf3 s ASP 136 Cb 0.04 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.41 1qf3 s ASP 136 CO 0.17 -2.14 0.72 -1.38 0.21 0.00 0.00 175.17 172.75 1qf3 s HIS 137 N -1.60 -0.29 0.01 4.23 -3.43 -0.95 -1.52 115.29 111.73 1qf3 s HIS 137 Ca 0.80 -0.06 0.05 0.00 -0.80 0.00 0.00 55.06 55.05 1qf3 s HIS 137 Cb -0.35 0.65 -0.03 0.00 -1.43 0.00 0.00 32.58 31.42 1qf3 s HIS 137 CO 0.42 -1.04 -0.15 0.08 -2.00 0.00 0.00 174.74 172.05 1qf3 s VAL 138 N -3.75 3.01 0.06 -5.38 1.01 -0.69 -1.64 120.40 113.02 1qf3 s VAL 138 Ca 0.08 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 1qf3 s VAL 138 Cb -0.04 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1qf3 s VAL 138 CO -0.00 0.42 0.25 -0.83 0.00 0.00 0.00 175.10 174.94 1qf3 s GLY 139 N -1.24 -0.04 -0.26 4.51 0.00 -0.72 -1.19 107.32 108.40 1qf3 s GLY 139 Ca 0.14 -0.26 -0.09 0.00 0.00 0.00 0.00 44.72 44.51 1qf3 s GLY 139 CO 0.04 -0.46 0.13 -0.42 0.00 0.00 0.00 173.10 172.39 1qf3 s ILE 140 N -3.09 4.84 -0.16 0.90 -1.09 -0.11 -1.33 121.20 121.17 1qf3 s ILE 140 Ca -0.01 0.01 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 1qf3 s ILE 140 Cb 0.01 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1qf3 s ILE 140 CO -0.07 0.31 -0.06 -1.81 -1.23 0.00 0.00 174.94 172.09 1qf3 s ASP 141 N 1.52 4.57 -0.33 3.58 1.01 0.55 -1.19 116.67 126.38 1qf3 s ASP 141 Ca 0.06 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.15 1qf3 s ASP 141 Cb -0.15 -1.74 0.10 0.00 1.01 0.00 0.00 42.92 42.14 1qf3 s ASP 141 CO 0.06 0.15 0.07 -0.69 0.21 0.00 0.00 175.17 174.97 1qf3 s VAL 142 N 0.48 1.82 -1.98 -1.27 1.01 -1.26 -1.23 120.40 117.98 1qf3 s VAL 142 Ca -0.05 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1qf3 s VAL 142 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1qf3 s VAL 142 CO 0.03 -0.63 0.00 0.59 0.00 0.00 0.00 175.10 175.09 1qf3 n ASN 143 N 4.43 -5.50 -3.59 3.32 3.02 0.18 -4.93 115.26 112.19 1qf3 n ASN 143 Ca 0.02 0.32 -0.07 0.00 -0.03 0.00 0.00 54.58 54.82 1qf3 n ASN 143 Cb 0.42 -4.67 -0.04 0.00 -0.61 0.00 0.00 39.78 34.87 1qf3 n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qf3 s SER 144 N -2.56 -0.25 0.00 6.41 0.15 -1.26 -2.64 113.70 113.55 1qf3 s SER 144 Ca 0.00 0.22 0.24 0.00 0.70 0.00 0.00 55.95 57.11 1qf3 s SER 144 Cb 0.00 0.22 0.93 0.00 -1.71 0.00 0.00 66.02 65.46 1qf3 s SER 144 CO 0.00 -0.27 1.66 1.33 1.20 0.00 0.00 173.24 177.15 1qf3 n VAL 145 N 0.47 0.11 -2.94 4.45 0.24 -0.19 -4.44 118.33 116.02 1qf3 n VAL 145 Ca -0.06 -0.28 -0.44 0.00 -2.04 0.00 0.00 64.34 61.52 1qf3 n VAL 145 Cb 0.59 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 1qf3 n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qf3 s ASP 146 N -1.77 6.59 0.27 -1.34 -1.08 -1.26 -4.93 116.67 113.16 1qf3 s ASP 146 Ca 0.35 -1.98 -0.29 0.00 -0.52 0.00 0.00 52.55 50.11 1qf3 s ASP 146 Cb 0.19 -2.39 -0.14 0.00 -1.46 0.00 0.00 42.92 39.12 1qf3 s ASP 146 CO 0.30 -1.07 1.10 -1.20 0.52 0.00 0.00 175.17 174.82 1qf3 n SER 147 N 6.51 1.60 -0.05 -0.34 7.64 -1.26 -4.83 113.62 122.87 1qf3 n SER 147 Ca 0.21 1.17 -0.07 0.00 1.01 0.00 0.00 58.87 61.19 1qf3 n SER 147 Cb 0.49 -1.31 0.11 0.00 -1.01 0.00 0.00 64.21 62.48 1qf3 n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1qf3 h VAL 148 N 2.26 1.28 -2.39 0.44 2.07 -1.49 -3.45 116.25 114.97 1qf3 h VAL 148 Ca -0.41 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 65.65 1qf3 h VAL 148 Cb 1.33 1.31 -0.22 0.00 -1.52 0.00 0.00 31.29 32.18 1qf3 h VAL 148 CO 0.64 0.45 -0.06 -0.75 0.02 0.00 0.00 177.57 177.87 1qf3 s LYS 149 N -4.51 0.67 0.23 1.57 2.20 -1.24 -5.02 119.74 113.65 1qf3 s LYS 149 Ca -0.09 0.72 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 1qf3 s LYS 149 Cb 0.13 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.73 1qf3 s LYS 149 CO 0.83 -0.09 0.07 0.95 -0.36 0.00 0.00 175.35 176.74 1qf3 s THR 150 N 0.16 0.55 -0.12 3.43 -4.23 -1.26 -0.94 115.64 113.25 1qf3 s THR 150 Ca -0.01 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.43 1qf3 s THR 150 Cb -0.04 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.38 1qf3 s THR 150 CO 0.01 -0.15 0.28 0.54 -0.54 0.00 0.00 174.62 174.77 1qf3 s VAL 151 N -3.76 -0.03 0.48 2.29 0.11 -0.33 -4.99 120.40 114.19 1qf3 s VAL 151 Ca 0.34 0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 59.26 1qf3 s VAL 151 Cb 0.07 -0.42 -0.09 0.00 -1.53 0.00 0.00 36.38 34.42 1qf3 s VAL 151 CO 0.11 0.04 0.99 -2.65 -3.33 0.00 0.00 175.10 170.25 1qf3 n PRO 152 N 3.84 1.22 -3.97 1.54 -0.02 -1.26 -1.71 135.00 134.64 1qf3 n PRO 152 Ca -0.21 0.45 -0.12 0.00 -2.02 0.00 0.00 63.50 61.59 1qf3 n PRO 152 Cb 0.55 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1qf3 n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1qf3 s TRP 153 N -1.37 0.66 -0.11 6.00 -0.00 -0.58 -4.76 118.94 118.78 1qf3 s TRP 153 Ca 0.67 -1.08 -0.04 0.00 -0.00 0.00 0.00 56.10 55.64 1qf3 s TRP 153 Cb -0.50 0.31 0.06 0.00 -0.00 0.00 0.00 33.47 33.33 1qf3 s TRP 153 CO 0.54 -1.32 0.23 1.21 -0.00 0.00 0.00 176.95 177.61 1qf3 s ASN 154 N -3.17 0.32 -0.25 5.86 2.47 -1.26 -4.04 114.94 114.87 1qf3 s ASN 154 Ca 0.24 0.52 -0.16 0.00 0.42 0.00 0.00 52.86 53.87 1qf3 s ASN 154 Cb -0.02 0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 40.29 1qf3 s ASN 154 CO 0.17 -0.23 0.44 -0.55 -3.72 0.00 0.00 177.10 173.21 1qf3 s SER 155 N 2.16 6.36 -0.26 -4.21 0.15 -1.26 -5.05 113.70 111.59 1qf3 s SER 155 Ca -0.00 0.43 -0.08 0.00 0.70 0.00 0.00 55.95 57.00 1qf3 s SER 155 Cb -0.12 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1qf3 s SER 155 CO -0.08 -0.21 0.09 -0.69 1.20 0.00 0.00 173.24 173.55 1qf3 s VAL 156 N 2.03 4.38 0.14 4.45 1.01 -1.26 -5.06 120.40 126.09 1qf3 s VAL 156 Ca 0.18 -0.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.60 1qf3 s VAL 156 Cb -0.16 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.99 1qf3 s VAL 156 CO 0.09 0.27 1.65 -0.24 0.00 0.00 0.00 175.10 176.88 1qf3 n SER 157 N 4.94 3.34 -0.04 3.32 2.88 -1.26 -1.78 113.62 125.02 1qf3 n SER 157 Ca -0.16 1.06 -0.01 0.00 -1.33 0.00 0.00 58.87 58.44 1qf3 n SER 157 Cb 0.51 -1.45 -0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1qf3 n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qf3 n GLY 158 N 3.67 0.45 3.77 0.46 0.00 0.20 -4.94 105.19 108.80 1qf3 n GLY 158 Ca 0.17 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1qf3 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qf3 s ALA 159 N -1.88 3.71 -0.28 4.61 0.00 -0.73 -4.99 121.76 122.20 1qf3 s ALA 159 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 1qf3 s ALA 159 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1qf3 s ALA 159 CO 0.00 0.27 0.96 0.08 0.00 0.00 0.00 175.76 177.07 1qf3 s VAL 160 N -0.03 4.67 -0.00 0.00 1.01 -1.26 -4.29 120.40 120.50 1qf3 s VAL 160 Ca 0.13 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 1qf3 s VAL 160 Cb -0.12 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1qf3 s VAL 160 CO 0.02 -0.29 0.10 -0.69 0.00 0.00 0.00 175.10 174.24 1qf3 s VAL 161 N 3.24 4.88 -0.01 2.92 1.01 -0.31 -4.44 120.40 127.69 1qf3 s VAL 161 Ca 0.40 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1qf3 s VAL 161 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1qf3 s VAL 161 CO 0.11 0.34 -0.24 -0.54 0.00 0.00 0.00 175.10 174.77 1qf3 s LYS 162 N -1.80 1.92 -0.01 2.72 1.02 -1.12 -1.86 119.74 120.61 1qf3 s LYS 162 Ca 0.24 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.38 1qf3 s LYS 162 Cb -0.12 -1.87 -0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1qf3 s LYS 162 CO 0.15 0.51 -0.08 0.08 -0.92 0.00 0.00 175.35 175.10 1qf3 s VAL 163 N -0.58 0.62 -0.05 3.17 1.01 -0.28 -0.59 120.40 123.71 1qf3 s VAL 163 Ca 0.09 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1qf3 s VAL 163 Cb -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1qf3 s VAL 163 CO -0.01 0.18 -0.15 -0.89 0.00 0.00 0.00 175.10 174.24 1qf3 s THR 164 N -0.10 1.26 -0.03 3.92 2.01 -0.38 -1.69 115.64 120.63 1qf3 s THR 164 Ca 0.02 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.46 1qf3 s THR 164 Cb -0.04 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 1qf3 s THR 164 CO -0.00 0.37 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.46 1qf3 s VAL 165 N 0.25 1.24 -0.05 3.82 1.01 0.52 -0.69 120.40 126.51 1qf3 s VAL 165 Ca -0.07 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1qf3 s VAL 165 Cb -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.21 1qf3 s VAL 165 CO 0.03 0.36 -0.08 -0.63 0.00 0.00 0.00 175.10 174.77 1qf3 s ILE 166 N -0.07 0.82 -0.18 2.22 1.01 -0.47 -1.59 121.20 122.93 1qf3 s ILE 166 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1qf3 s ILE 166 Cb -0.09 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.63 1qf3 s ILE 166 CO 0.01 0.28 -0.16 -0.47 0.00 0.00 0.00 174.94 174.60 1qf3 s TYR 167 N 0.69 2.59 -0.36 3.97 5.04 -0.49 -1.34 117.35 127.45 1qf3 s TYR 167 Ca -0.12 -1.59 -0.15 0.00 -2.44 0.00 0.00 57.07 52.77 1qf3 s TYR 167 Cb -0.14 -1.78 -0.00 0.00 0.35 0.00 0.00 41.96 40.38 1qf3 s TYR 167 CO 0.02 -0.77 0.35 0.34 -1.34 0.00 0.00 175.55 174.16 1qf3 s ASP 168 N 1.34 6.16 0.21 4.32 2.15 -0.25 -2.54 116.67 128.07 1qf3 s ASP 168 Ca 0.02 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 52.52 1qf3 s ASP 168 Cb -0.14 -2.19 0.25 0.00 -0.30 0.00 0.00 42.92 40.54 1qf3 s ASP 168 CO -0.11 -0.38 1.79 0.77 -0.17 0.00 0.00 175.17 177.07 1qf3 h SER 169 N 8.53 0.46 -0.12 -0.34 4.64 -1.87 0.62 113.55 125.47 1qf3 h SER 169 Ca -0.29 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.10 1qf3 h SER 169 Cb 1.14 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1qf3 h SER 169 CO 0.71 0.29 -0.06 0.28 -0.87 0.00 0.00 176.83 177.17 1qf3 h SER 170 N 0.60 -0.20 0.45 4.97 0.02 -1.93 -2.90 113.55 114.55 1qf3 h SER 170 Ca 0.30 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1qf3 h SER 170 Cb 0.25 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1qf3 h SER 170 CO -0.22 -0.08 -0.83 0.35 -1.14 0.00 0.00 176.83 174.91 1qf3 n THR 171 N -5.20 0.13 -3.42 -2.27 -2.24 -1.16 -4.96 114.28 95.16 1qf3 n THR 171 Ca -0.04 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 1qf3 n THR 171 Cb 0.12 0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1qf3 n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qf3 n LYS 172 N -1.80 -7.03 -3.91 -0.78 5.02 0.21 -4.84 118.16 105.03 1qf3 n LYS 172 Ca 0.03 0.85 -0.36 0.00 -2.02 0.00 0.00 58.31 56.81 1qf3 n LYS 172 Cb 0.40 -5.84 -0.07 0.00 -0.02 0.00 0.00 35.03 29.50 1qf3 n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qf3 s THR 173 N -3.28 5.26 -0.20 -0.18 2.01 -1.04 -0.84 115.64 117.37 1qf3 s THR 173 Ca 0.50 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.61 1qf3 s THR 173 Cb -0.22 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1qf3 s THR 173 CO 0.62 0.55 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.76 1qf3 s LEU 174 N -0.46 2.57 -0.01 4.42 2.96 -0.04 -1.09 118.68 127.03 1qf3 s LEU 174 Ca 0.11 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1qf3 s LEU 174 Cb -0.12 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1qf3 s LEU 174 CO 0.02 -0.02 -0.17 -0.94 -1.32 0.00 0.00 176.35 173.92 1qf3 s SER 175 N 1.39 2.05 0.01 3.68 1.04 -0.45 -0.72 113.70 120.70 1qf3 s SER 175 Ca 0.05 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.23 1qf3 s SER 175 Cb -0.14 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 1qf3 s SER 175 CO -0.08 0.21 -0.22 -0.69 0.98 0.00 0.00 173.24 173.44 1qf3 s VAL 176 N -0.43 1.76 -0.14 5.02 1.01 0.14 -1.37 120.40 126.40 1qf3 s VAL 176 Ca 0.07 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1qf3 s VAL 176 Cb -0.07 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.85 1qf3 s VAL 176 CO -0.01 0.40 -0.10 0.00 0.00 0.00 0.00 175.10 175.39 1qf3 s ALA 177 N -0.63 1.57 -0.24 5.51 0.00 0.14 -2.47 121.76 125.64 1qf3 s ALA 177 Ca 0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1qf3 s ALA 177 Cb -0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1qf3 s ALA 177 CO 0.00 -0.47 0.01 0.08 0.00 0.00 0.00 175.76 175.38 1qf3 s VAL 178 N 1.61 3.76 -0.48 0.00 1.01 0.84 -1.25 120.40 125.89 1qf3 s VAL 178 Ca 0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 1qf3 s VAL 178 Cb -0.13 -2.77 0.06 0.00 0.00 0.00 0.00 36.38 33.54 1qf3 s VAL 178 CO -0.09 0.34 0.47 -0.89 0.00 0.00 0.00 175.10 174.92 1qf3 s THR 179 N 1.52 5.11 1.03 3.92 2.01 0.25 -0.82 115.64 128.66 1qf3 s THR 179 Ca 0.05 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 1qf3 s THR 179 Cb -0.15 -4.16 0.21 0.00 0.01 0.00 0.00 72.50 68.40 1qf3 s THR 179 CO -0.00 -0.63 1.08 0.20 -0.69 0.00 0.00 174.62 174.58 1qf3 s ASN 180 N 2.53 2.32 0.16 3.53 0.01 0.03 -2.78 114.94 120.73 1qf3 s ASN 180 Ca 0.08 1.28 -0.15 0.00 -0.71 0.00 0.00 52.86 53.36 1qf3 s ASN 180 Cb -0.22 -1.97 0.04 0.00 0.41 0.00 0.00 41.25 39.51 1qf3 s ASN 180 CO 0.09 -3.34 1.82 -0.78 -1.51 0.00 0.00 177.10 173.38 1qf3 h ASP 181 N -2.03 0.49 0.00 -1.22 3.58 -1.87 -2.64 116.42 112.73 1qf3 h ASP 181 Ca -0.56 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1qf3 h ASP 181 Cb 1.33 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1qf3 h ASP 181 CO 0.56 0.35 0.00 -0.46 -2.88 0.00 0.00 179.24 176.81 1qf3 n ASN 182 N -4.79 0.00 0.00 2.28 2.04 -1.26 -4.87 115.26 108.65 1qf3 n ASN 182 Ca 0.01 -0.97 0.00 0.00 -0.44 0.00 0.00 54.58 53.19 1qf3 n ASN 182 Cb 0.03 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 1qf3 n ASN 182 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1qf3 n GLY 183 N 0.33 2.96 3.74 4.83 0.00 -1.00 -5.07 105.19 110.99 1qf3 n GLY 183 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1qf3 n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qf3 s ASP 184 N 0.15 4.75 0.17 1.61 1.11 -1.26 -4.69 116.67 118.52 1qf3 s ASP 184 Ca 0.00 2.45 0.11 0.00 0.18 0.00 0.00 52.55 55.29 1qf3 s ASP 184 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1qf3 s ASP 184 CO 0.00 -1.89 -0.25 0.27 1.18 0.00 0.00 175.17 174.48 1qf3 s ILE 185 N -1.64 2.30 -0.03 0.77 -4.36 -1.26 -0.79 121.20 116.18 1qf3 s ILE 185 Ca 0.78 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 59.28 1qf3 s ILE 185 Cb -0.32 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.33 1qf3 s ILE 185 CO 0.38 -0.05 -0.12 -0.89 0.24 0.00 0.00 174.94 174.51 1qf3 s THR 186 N -1.45 1.03 0.14 8.37 2.01 -0.00 -4.95 115.64 120.78 1qf3 s THR 186 Ca 0.18 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.73 1qf3 s THR 186 Cb -0.09 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1qf3 s THR 186 CO 0.08 0.31 -0.11 0.42 -0.69 0.00 0.00 174.62 174.63 1qf3 s THR 187 N 0.12 1.20 -0.26 -0.82 -4.23 -1.26 -0.12 115.64 110.27 1qf3 s THR 187 Ca -0.03 -1.93 -0.22 0.00 -1.18 0.00 0.00 61.69 58.33 1qf3 s THR 187 Cb -0.10 -1.71 0.07 0.00 1.34 0.00 0.00 72.50 72.10 1qf3 s THR 187 CO 0.01 -0.64 0.67 -0.51 -0.54 0.00 0.00 174.62 173.61 1qf3 s ILE 188 N -2.92 -0.00 0.02 2.99 2.07 -1.03 -4.97 121.20 117.36 1qf3 s ILE 188 Ca 0.14 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1qf3 s ILE 188 Cb -0.00 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 1qf3 s ILE 188 CO 0.01 0.00 -0.04 0.00 -1.91 0.00 0.00 174.94 173.00 1qf3 s ALA 189 N 0.66 0.22 -0.16 1.50 0.00 -1.26 -0.68 121.76 122.03 1qf3 s ALA 189 Ca -0.02 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1qf3 s ALA 189 Cb -0.05 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1qf3 s ALA 189 CO -0.04 -0.13 0.59 -1.14 0.00 0.00 0.00 175.76 175.04 1qf3 s GLN 190 N -1.46 0.78 -0.26 0.00 2.00 0.10 -4.98 119.66 115.83 1qf3 s GLN 190 Ca -0.14 0.59 -0.25 0.00 -2.00 0.00 0.00 55.36 53.56 1qf3 s GLN 190 Cb -0.10 0.37 -0.00 0.00 0.80 0.00 0.00 33.01 34.09 1qf3 s GLN 190 CO -0.01 -0.15 0.85 0.08 -0.50 0.00 0.00 175.29 175.56 1qf3 s VAL 191 N -0.21 4.79 -0.10 1.34 1.01 -1.26 -0.86 120.40 125.11 1qf3 s VAL 191 Ca -0.04 1.51 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 1qf3 s VAL 191 Cb -0.03 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.22 1qf3 s VAL 191 CO 0.03 -0.16 -0.02 -0.69 0.00 0.00 0.00 175.10 174.26 1qf3 s VAL 192 N 2.96 0.64 -0.94 2.92 1.01 -0.02 -4.99 120.40 121.99 1qf3 s VAL 192 Ca 0.36 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 1qf3 s VAL 192 Cb -0.15 -0.79 0.08 0.00 0.00 0.00 0.00 36.38 35.53 1qf3 s VAL 192 CO 0.09 0.24 1.28 -0.62 0.00 0.00 0.00 175.10 176.09 1qf3 s ASP 193 N 1.86 6.49 0.36 3.32 -1.08 -1.26 -4.70 116.67 121.66 1qf3 s ASP 193 Ca 0.04 -1.55 0.10 0.00 -0.52 0.00 0.00 52.55 50.62 1qf3 s ASP 193 Cb -0.13 -2.49 0.86 0.00 -1.46 0.00 0.00 42.92 39.70 1qf3 s ASP 193 CO -0.07 -1.37 1.86 -0.07 0.52 0.00 0.00 175.17 176.05 1qf3 h LEU 194 N 11.82 0.62 -1.97 -1.34 3.38 -1.96 -1.49 115.31 124.36 1qf3 h LEU 194 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qf3 h LEU 194 Cb 1.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1qf3 h LEU 194 CO 1.28 0.29 0.00 0.50 0.09 0.00 0.00 178.44 180.60 1qf3 h LYS 195 N 0.64 0.00 0.00 1.13 3.64 -1.89 -0.83 116.57 119.26 1qf3 h LYS 195 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1qf3 h LYS 195 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1qf3 h LYS 195 CO -0.22 0.00 -0.76 0.00 -2.27 0.00 0.00 179.45 176.21 1qf3 n ALA 196 N -2.05 4.07 -0.05 5.00 0.00 -0.58 -4.57 120.51 122.33 1qf3 n ALA 196 Ca -0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1qf3 n ALA 196 Cb 0.20 -0.58 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1qf3 n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qf3 n LYS 197 N -1.38 1.71 -4.38 0.00 4.76 -1.03 -5.05 118.16 112.79 1qf3 n LYS 197 Ca 0.03 -0.03 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1qf3 n LYS 197 Cb 0.25 -1.30 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 1qf3 n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1qf3 s LEU 198 N -4.63 2.34 0.70 -0.35 1.43 -0.35 -4.90 118.68 112.93 1qf3 s LEU 198 Ca -0.05 -1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 51.79 1qf3 s LEU 198 Cb 0.04 -0.45 0.08 0.00 0.03 0.00 0.00 46.19 45.89 1qf3 s LEU 198 CO 0.49 -0.43 1.00 -2.16 0.23 0.00 0.00 176.35 175.48 1qf3 s PRO 199 N -3.79 2.04 0.26 1.29 0.04 -1.26 -4.64 135.00 128.94 1qf3 s PRO 199 Ca 0.29 -0.48 -0.01 0.00 0.04 0.00 0.00 61.00 60.83 1qf3 s PRO 199 Cb 0.05 -2.22 0.56 0.00 0.04 0.00 0.00 34.50 32.93 1qf3 s PRO 199 CO 0.10 -1.28 1.71 0.93 0.04 0.00 0.00 177.00 178.49 1qf3 h GLU 200 N -0.57 0.38 -5.43 4.56 5.08 -1.95 -3.40 114.58 113.24 1qf3 h GLU 200 Ca -0.43 -0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.27 1qf3 h GLU 200 Cb 1.30 -0.08 -0.19 0.00 0.50 0.00 0.00 28.75 30.27 1qf3 h GLU 200 CO 0.54 0.25 -0.64 1.03 -1.00 0.00 0.00 179.01 179.19 1qf3 s ARG 201 N -5.98 3.60 0.24 2.33 0.52 -1.26 -1.35 118.95 117.05 1qf3 s ARG 201 Ca -0.12 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 1qf3 s ARG 201 Cb 0.22 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 1qf3 s ARG 201 CO 0.77 0.34 0.20 0.14 0.02 0.00 0.00 175.30 176.77 1qf3 s VAL 202 N 0.12 0.00 -0.01 3.52 -7.23 -0.30 -3.61 120.40 112.88 1qf3 s VAL 202 Ca 0.01 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1qf3 s VAL 202 Cb -0.13 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 1qf3 s VAL 202 CO 0.02 0.00 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.13 1qf3 s LYS 203 N -3.92 1.18 -0.01 4.82 1.02 0.09 -0.39 119.74 122.52 1qf3 s LYS 203 Ca 0.38 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1qf3 s LYS 203 Cb 0.05 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 1qf3 s LYS 203 CO 0.16 0.28 0.09 -0.06 -0.92 0.00 0.00 175.35 174.90 1qf3 s PHE 204 N -0.26 3.31 -0.17 3.18 0.40 -1.26 -1.93 117.98 121.25 1qf3 s PHE 204 Ca 0.04 0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.59 1qf3 s PHE 204 Cb -0.06 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.72 1qf3 s PHE 204 CO -0.00 0.56 0.00 0.41 0.70 0.00 0.00 175.22 176.89 1qf3 n GLY 205 N 1.19 -1.17 3.51 4.36 0.00 -0.94 -0.92 105.19 111.23 1qf3 n GLY 205 Ca -0.13 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 1qf3 n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qf3 s PHE 206 N -2.24 2.36 0.03 1.61 0.08 -0.38 -0.85 117.98 118.59 1qf3 s PHE 206 Ca 0.00 -0.35 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 1qf3 s PHE 206 Cb 0.00 -1.10 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1qf3 s PHE 206 CO 0.00 0.68 0.28 0.45 -0.10 0.00 0.00 175.22 176.53 1qf3 s SER 207 N -3.55 -0.11 0.10 1.36 0.15 -0.73 -1.40 113.70 109.52 1qf3 s SER 207 Ca 0.31 -0.15 -0.14 0.00 0.70 0.00 0.00 55.95 56.67 1qf3 s SER 207 Cb -0.04 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1qf3 s SER 207 CO 0.16 -0.56 0.33 0.00 1.20 0.00 0.00 173.24 174.37 1qf3 s ALA 208 N -2.22 -0.69 0.23 5.45 0.00 -0.64 -1.36 121.76 122.52 1qf3 s ALA 208 Ca -0.07 -0.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 1qf3 s ALA 208 Cb -0.02 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.70 1qf3 s ALA 208 CO -0.01 -0.57 0.57 -1.54 0.00 0.00 0.00 175.76 174.21 1qf3 s SER 209 N -2.71 -0.25 0.35 0.00 1.04 -1.24 -2.20 113.70 108.69 1qf3 s SER 209 Ca 0.02 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1qf3 s SER 209 Cb 0.02 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 1qf3 s SER 209 CO -0.10 -1.14 0.38 -0.83 0.98 0.00 0.00 173.24 172.52 1qf3 s GLY 210 N -2.90 2.03 0.00 7.32 0.00 -0.53 -1.53 107.32 111.71 1qf3 s GLY 210 Ca 0.11 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1qf3 s GLY 210 CO 0.01 -1.27 0.00 -1.14 0.00 0.00 0.00 173.10 170.70 1qf3 n SER 211 N -1.60 0.34 0.09 1.64 3.41 0.33 0.43 113.62 118.25 1qf3 n SER 211 Ca 0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.58 1qf3 n SER 211 Cb 0.62 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 1qf3 n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1qf3 h LEU 212 N 0.00 -0.27 0.00 1.04 6.46 -1.92 -3.10 115.31 117.52 1qf3 h LEU 212 Ca 0.00 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1qf3 h LEU 212 Cb 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1qf3 h LEU 212 CO 0.00 0.24 -0.92 0.61 -0.62 0.00 0.00 178.44 177.74 1qf3 n GLY 213 N 0.74 -1.28 3.48 3.75 0.00 -1.26 -4.82 105.19 105.80 1qf3 n GLY 213 Ca -0.06 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1qf3 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qf3 s GLY 214 N -3.70 1.92 -0.09 -0.02 0.00 -1.26 -1.88 107.32 102.31 1qf3 s GLY 214 Ca 0.04 -1.43 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 1qf3 s GLY 214 CO 0.78 0.75 0.44 0.50 0.00 0.00 0.00 173.10 175.57 1qf3 s ARG 215 N 1.66 0.68 0.20 2.90 0.52 0.30 -0.52 118.95 124.69 1qf3 s ARG 215 Ca 0.05 0.24 -0.23 0.00 -0.52 0.00 0.00 55.73 55.27 1qf3 s ARG 215 Cb -0.17 0.32 0.05 0.00 0.52 0.00 0.00 34.95 35.66 1qf3 s ARG 215 CO 0.08 -0.16 0.84 1.14 0.02 0.00 0.00 175.30 177.23 1qf3 s GLN 216 N -0.63 1.44 -0.02 3.54 -2.07 -1.22 -4.13 119.66 116.57 1qf3 s GLN 216 Ca -0.07 -0.78 -0.28 0.00 -1.82 0.00 0.00 55.36 52.41 1qf3 s GLN 216 Cb -0.03 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.35 1qf3 s GLN 216 CO 0.04 -0.66 0.87 0.42 -1.32 0.00 0.00 175.29 174.64 1qf3 s ILE 217 N -3.57 4.93 -0.24 3.63 1.01 -0.10 -4.89 121.20 121.97 1qf3 s ILE 217 Ca 0.11 1.83 0.02 0.00 0.00 0.00 0.00 60.65 62.61 1qf3 s ILE 217 Cb -0.03 -4.21 0.06 0.00 0.01 0.00 0.00 42.46 38.28 1qf3 s ILE 217 CO 0.03 0.20 -0.11 -1.00 0.00 0.00 0.00 174.94 174.06 1qf3 s HIS 218 N 0.92 3.00 -0.00 3.97 3.76 -1.26 -2.03 115.29 123.65 1qf3 s HIS 218 Ca 0.47 -2.11 0.07 0.00 -0.15 0.00 0.00 55.06 53.34 1qf3 s HIS 218 Cb -0.20 -1.84 -0.02 0.00 1.11 0.00 0.00 32.58 31.63 1qf3 s HIS 218 CO 0.24 -0.84 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.56 1qf3 s LEU 219 N 1.19 2.31 -0.19 0.89 1.43 0.03 -1.42 118.68 122.92 1qf3 s LEU 219 Ca -0.07 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1qf3 s LEU 219 Cb -0.19 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1qf3 s LEU 219 CO -0.06 0.30 -0.11 -0.63 0.23 0.00 0.00 176.35 176.08 1qf3 s ILE 220 N -0.73 2.86 -0.21 -0.59 -1.09 -0.54 -1.92 121.20 118.97 1qf3 s ILE 220 Ca 0.11 -0.68 0.10 0.00 -2.23 0.00 0.00 60.65 57.96 1qf3 s ILE 220 Cb -0.10 -2.26 -0.22 0.00 -1.58 0.00 0.00 42.46 38.30 1qf3 s ILE 220 CO 0.01 0.48 -0.01 0.54 -1.23 0.00 0.00 174.94 174.72 1qf3 n ARG 221 N 4.56 0.67 -3.67 2.79 1.74 -0.39 -2.07 116.66 120.30 1qf3 n ARG 221 Ca -0.19 0.08 -0.09 0.00 -0.77 0.00 0.00 57.85 56.87 1qf3 n ARG 221 Cb 0.51 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1qf3 n ARG 221 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qf3 s SER 222 N -5.98 -0.38 -0.29 0.55 1.04 -1.23 -4.44 113.70 102.96 1qf3 s SER 222 Ca -0.20 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 55.72 1qf3 s SER 222 Cb 0.07 0.66 0.13 0.00 0.10 0.00 0.00 66.02 66.98 1qf3 s SER 222 CO 0.74 -1.16 0.87 0.86 0.98 0.00 0.00 173.24 175.52 1qf3 s TRP 223 N -3.85 -0.82 0.04 5.02 -0.00 -0.48 -2.86 118.94 115.99 1qf3 s TRP 223 Ca 0.07 1.55 0.06 0.00 -0.00 0.00 0.00 56.10 57.78 1qf3 s TRP 223 Cb -0.03 0.49 -0.02 0.00 -0.00 0.00 0.00 33.47 33.90 1qf3 s TRP 223 CO -0.02 -0.41 -0.17 -1.54 -0.00 0.00 0.00 176.95 174.81 1qf3 s SER 224 N 1.86 2.08 -0.06 5.86 1.04 -0.54 0.34 113.70 124.28 1qf3 s SER 224 Ca -0.07 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 55.71 1qf3 s SER 224 Cb -0.06 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.94 1qf3 s SER 224 CO -0.17 0.09 0.36 0.12 0.98 0.00 0.00 173.24 174.62 1qf3 s PHE 225 N -0.83 -0.30 -0.16 5.02 2.19 -0.20 -2.01 117.98 121.69 1qf3 s PHE 225 Ca 0.05 0.60 -0.11 0.00 0.33 0.00 0.00 56.93 57.79 1qf3 s PHE 225 Cb -0.08 0.13 0.05 0.00 -1.31 0.00 0.00 43.02 41.81 1qf3 s PHE 225 CO 0.02 -0.33 0.39 0.99 1.83 0.00 0.00 175.22 178.12 1qf3 s THR 226 N -0.75 -0.02 0.01 0.12 2.01 -0.93 -1.31 115.64 114.76 1qf3 s THR 226 Ca -0.08 0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.98 1qf3 s THR 226 Cb -0.04 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1qf3 s THR 226 CO 0.03 0.03 -0.02 -0.94 -0.69 0.00 0.00 174.62 173.02 1qf3 s SER 227 N 0.94 0.27 -0.07 3.53 1.04 -0.29 -1.53 113.70 117.59 1qf3 s SER 227 Ca -0.06 -0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 1qf3 s SER 227 Cb -0.06 -0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1qf3 s SER 227 CO -0.07 -0.04 -0.02 -0.89 0.98 0.00 0.00 173.24 173.19 1qf3 s THR 228 N -0.35 0.50 -0.16 2.02 2.01 -0.61 -1.23 115.64 117.82 1qf3 s THR 228 Ca -0.03 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1qf3 s THR 228 Cb -0.03 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1qf3 s THR 228 CO -0.00 0.26 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.86 1qf3 s LEU 229 N 1.57 2.75 -0.32 4.42 2.96 0.12 -2.13 118.68 128.06 1qf3 s LEU 229 Ca -0.01 -0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.25 1qf3 s LEU 229 Cb -0.13 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.92 1qf3 s LEU 229 CO -0.04 0.10 1.29 -0.63 -1.32 0.00 0.00 176.35 175.75 1qf3 s ILE 230 N 0.76 4.14 -1.12 6.68 1.01 -1.26 -0.51 121.20 130.89 1qf3 s ILE 230 Ca -0.04 1.28 -0.04 0.00 0.00 0.00 0.00 60.65 61.84 1qf3 s ILE 230 Cb -0.15 -4.19 0.28 0.00 0.01 0.00 0.00 42.46 38.41 1qf3 s ILE 230 CO 0.01 -0.52 1.67 0.35 0.00 0.00 0.00 174.94 176.46 1qf3 n THR 231 N 6.28 5.32 0.00 2.92 -2.24 -1.26 -4.86 114.28 120.44 1qf3 n THR 231 Ca 0.15 -5.60 0.00 0.00 -2.27 0.00 0.00 64.05 56.32 1qf3 n THR 231 Cb 0.47 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 1qf3 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57